<PRE>
*HEADER    METAL BINDING PROTEIN                   12-FEB-08   2K0Q              
*TITLE     SOLUTION STRUCTURE OF COPK, A PERIPLASMIC PROTEIN INVOLVED            
*TITLE    2 IN COPPER RESISTANCE IN CUPRIAVIDUS METALLIDURANS CH34               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN COPK;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS;                      
*SOURCE   3 STRAIN: CH34;                                                        
*SOURCE   4 GENE: COPK;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET30                                     
*KEYWDS    COPPER, HEAVY METAL RESISTANCE, OPEN BARREL, PLASMID-                 
*KEYWDS   2 ENCODED, METAL BINDING PROTEIN                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.BERSCH, A.FAVIER, P.SCHANDA, J.COVES, S.VAN AELST,                  
*AUTHOR   2 T.VALLAEYS, R.WATTIEZ, M.MERGEAY                                     
*REVDAT   1   27-MAY-08 2K0Q    0                                                


  2 N 2 HN  -4.38  0.500  1.00
  4 N 4 HN     7.66  0.500  1.00
  6 N 6 HN     3.51  0.500  1.00
  7 N 7 HN  -6.63  0.500  1.00
  8 N 8 HN  -3.80  0.500  1.00
  9 N 9 HN  -7.02  0.500  1.00
 10 N  10 HN  -2.87  0.500  1.00
 11 N  11 HN  -0.54  0.500  1.00
 12 N  12 HN    12.37  0.500  1.00
 13 N  13 HN     7.37  0.500  1.00
 14 N  14 HN  -4.73  0.500  1.00
 15 N  15 HN     6.21  0.500  1.00
 17 N  17 HN     2.15  0.500  1.00
 19 N  19 HN  -6.88  0.500  1.00
 20 N  20 HN  -8.07  0.500  1.00
 21 N  21 HN  -5.70  0.500  1.00
 22 N  22 HN     9.10  0.500  1.00
 23 N  23 HN     0.07  0.500  1.00
 24 N  24 HN  -5.99  0.500  1.00
 25 N  25 HN     7.92  0.500  1.00
 26 N  26 HN  -7.58  0.500  1.00
 27 N  27 HN  -6.12  0.500  1.00
 28 N  28 HN  -3.85  0.500  1.00
 29 N  29 HN     3.27  0.500  1.00
 30 N  30 HN     8.07  0.500  1.00
 31 N  31 HN     6.20  0.500  1.00
 32 N  32 HN  -2.92  0.500  1.00
 33 N  33 HN    15.61  0.500  1.00
 34 N  34 HN     2.65  0.500  1.00
 35 N  35 HN    13.76  0.500  1.00
 36 N  36 HN  -5.65  0.500  1.00
 40 N  40 HN  -5.19  0.500  1.00
 41 N  41 HN  -7.42  0.500  1.00
 42 N  42 HN     7.87  0.500  1.00
 43 N  43 HN     1.16  0.500  1.00
 44 N  44 HN  -6.79  0.500  1.00
 45 N  45 HN  -3.99  0.500  1.00
 46 N  46 HN    12.24  0.500  1.00
 47 N  47 HN     7.89  0.500  1.00
 48 N  48 HN  -5.28  0.500  1.00
 49 N  49 HN     3.76  0.500  1.00
 50 N  50 HN    14.73  0.500  1.00
 51 N  51 HN     1.82  0.500  1.00
 52 N  52 HN  -3.09  0.500  1.00
 53 N  53 HN  -8.29  0.500  1.00
 54 N  54 HN  -7.88  0.500  1.00
 56 N  56 HN  -8.30  0.500  1.00
 57 N  57 HN  -6.24  0.500  1.00
 58 N  58 HN  -0.46  0.500  1.00
 59 N  59 HN  -4.48  0.500  1.00
 60 N  60 HN  -7.07  0.500  1.00
 61 N  61 HN  -2.66  0.500  1.00
 62 N  62 HN     3.68  0.500  1.00
 65 N  65 HN  -2.97  0.500  1.00
 66 N  66 HN     4.53  0.500  1.00
 67 N  67 HN  -0.07  0.500  1.00
 68 N  68 HN  -1.32  0.500  1.00
 70 N  70 HN  -0.49  0.500  1.00
 71 N  71 HN  -0.90  0.500  1.00
 72 N  72 HN  -1.10  0.500  1.00
 74 N  74 HN  -0.01  0.500  1.00
      
        
   1 CA 1 C      0.91    0.5  0.50
   2 CA 2 C    -16.04  0.5  0.50
   3 CA 3 C      1.90  0.5  0.50
   4 CA 4 C     -0.69  0.5  0.50
   5 CA 5 C     -4.07  0.5  0.50
   6 CA 6 C      0.23  0.5  0.50
   7 CA 7 C     -0.79  0.5  0.50
   8 CA 8 C      2.35  0.5  0.50
   9 CA 9 C     -2.94  0.5  1.00
  10 CA 10 C     1.35  0.5  1.00
  11 CA 11 C    -2.05  0.5  1.00
  12 CA 12 C     2.72  0.5  1.00
  13 CA 13 C    -1.12  0.5  1.00
  14 CA 14 C    -4.97  0.5  1.00
  15 CA 15 C     1.54  0.5  1.00
  16 CA 16 C     2.62  0.5  1.00
  17 CA 17 C     2.93  0.5  1.00
  18 CA 18 C     1.61  0.5  1.00
  19 CA 19 C     2.07  0.5  1.00
  20 CA 20 C    -1.88  0.5  1.00
  21 CA 21 C     2.47  0.5  1.00
  22 CA 22 C     2.39  0.5  1.00
  23 CA 23 C    -2.71  0.5  1.00
  24 CA 24 C     2.60  0.5  1.00
  25 CA 25 C     0.32  0.5  1.00
  26 CA 26 C    -0.13  0.5  1.00
  27 CA 27 C     1.94  0.5  1.00
  28 CA 28 C    -2.99  0.5  1.00
  29 CA 29 C     1.22  0.5  1.00
  30 CA 30 C     1.55  0.5  1.00
  31 CA 31 C    -5.19  0.5  1.00
  32 CA 32 C     0.74  0.5  1.00
  33 CA 33 C     2.86  0.5  1.00
  34 CA 34 C    -1.59  0.5  1.00
  35 CA 35 C     0.03  0.5  1.00
  36 CA 36 C    -0.24  0.5  1.00
  37 CA 37 C    -3.15  0.5  1.00
  39 CA 38 C    -1.60  0.5  1.00
  40 CA 40 C    -3.28  0.5  1.00
  41 CA 41 C     2.37  0.5  1.00
  42 CA 42 C     2.83  0.5  1.00
  43 CA 43 C    -1.33  0.5  1.00
  44 CA 44 C     2.22  0.5  1.00
  45 CA 45 C    -3.31  0.5  1.00
  46 CA 46 C     2.99  0.5  1.00
  47 CA 47 C    -0.33  0.5  1.00
  48 CA 48 C    -5.09  0.5  1.00
  49 CA 49 C     0.67  0.5  1.00
  50 CA 50 C     2.35  0.5  1.00
  51 CA 51 C     2.43  0.5  1.00
  52 CA 52 C     3.46  0.5  1.00
  53 CA 53 C     1.00  0.5  1.00
  54 CA 54 C     1.64  0.5  1.00
  55 CA 55 C     0.95  0.5  1.00
  56 CA 56 C    -2.17  0.5  1.00
  57 CA 57 C     1.95  0.5  1.00
  58 CA 58 C     2.25  0.5  1.00
  59 CA 59 C    -3.18  0.5  1.00
  60 CA 60 C     2.71  0.5  1.00
  61 CA 61 C    -6.23  0.5  1.00
  62 CA 62 C    -5.57  0.5  1.00
  63 CA 63 C    -1.30  0.5  1.00
  64 CA 64 C    -2.56  0.5  0.50
  65 CA 65 C    -0.30  0.5  0.50
  66 CA 66 C     0.59  0.5  0.50
  67 CA 67 C     0.31  0.5  0.50
  68 CA 68 C    -1.58  0.5  0.50
  69 CA 69 C    -0.14  0.5  0.50
  70 CA 70 C    -0.44  0.5  0.50
  71 CA 71 C    -0.28  0.5  0.50
  72 CA 72 C    -0.56  0.5  0.50 
  73 CA 73 C    -0.67  0.5  0.50
assign  ((resid    8 and name HG2  )) ((resid    9 and name HB   ))   4.76  2.96  0.00 ! #SUP  5.71
or      ((resid    8 and name HG1  )) ((resid    9 and name HB   ))                    ! #SUP  5.12
assign  ((resid   50 and name HB   )) ((resid   52 and name HG2* ))   5.06  3.26  0.00 ! #SUP  2.21
or      ((resid   50 and name HB   )) ((resid   52 and name HG2* ))                    ! #SUP  2.21
assign  ((resid   16 and name HB1  )) ((resid   28 and name HG1  ))   5.50  3.70  0.00 ! #SUP  3.91
or      ((resid   16 and name HB1  )) ((resid   28 and name HG2  ))                    ! #SUP  2.99
assign  ((resid   16 and name HB2  )) ((resid   28 and name HG1  ))   5.31  3.51  0.00 ! #SUP  3.09
or      ((resid   16 and name HB2  )) ((resid   28 and name HG2  ))                    ! #SUP  2.36
assign  ((resid   42 and name HA   )) ((resid   43 and name HA   ))   3.78  1.98  0.00 ! #SUP  4.75
or      ((resid   34 and name HA   )) ((resid   35 and name HB*  ))                    ! #SUP  3.45
assign  ((resid   16 and name HB1  )) ((resid   28 and name HE#  ))   4.32  2.52  0.00 ! #SUP  2.86
or      ((resid   12 and name HB2  )) ((resid   16 and name HB1  ))                    ! #SUP  3.72
assign  ((resid    9 and name HA   )) ((resid   18 and name HB   ))   4.70  2.90  0.00 ! #SUP  5.23
or      ((resid    9 and name HA   )) ((resid   20 and name HB   ))                    ! #SUP  2.37
assign  ((resid   20 and name HA   )) ((resid   26 and name HG1  ))   4.14  2.34  0.00 ! #SUP  5.43
or      ((resid   20 and name HA   )) ((resid   26 and name HG2  ))                    ! #SUP  5.31
assign  ((resid   20 and name HA   )) ((resid   20 and name HG1* ))   3.35  1.55  0.00 ! #SUP  4.84
or      ((resid   20 and name HA   )) ((resid   20 and name HG2* ))                    ! #SUP  4.68
assign  ((resid    9 and name HA   )) ((resid    9 and name HG2* ))   3.80  2.00  0.00 ! #SUP  3.84
or      ((resid    9 and name HA   )) ((resid   20 and name HG2* ))                    ! #SUP  2.06
assign  ((resid    8 and name HG2  )) ((resid    9 and name HA   ))   4.87  3.07  0.00 ! #SUP  5.24
or      ((resid    9 and name HA   )) ((resid   18 and name HG2* ))                    ! #SUP  3.60
or      ((resid    8 and name HG1  )) ((resid    9 and name HA   ))                    ! #SUP  4.43
assign  ((resid   18 and name HA   )) ((resid   28 and name HG2  ))   4.17  2.37  0.00 ! #SUP  4.27
or      ((resid   18 and name HA   )) ((resid   28 and name HG1  ))                    ! #SUP  4.38
assign  ((resid   44 and name HE#  )) ((resid   53 and name HA   ))   4.48  2.68  0.00 ! #SUP  1.85
or      ((resid   43 and name HB   )) ((resid   53 and name HA   ))                    ! #SUP  1.80
or      ((resid   44 and name HB2  )) ((resid   53 and name HA   ))                    ! #SUP  2.13
assign  ((resid   53 and name HA   )) ((resid   53 and name HG2* ))   4.05  2.25  0.00 ! #SUP  4.84
or      ((resid   53 and name HA   )) ((resid   53 and name HD1* ))                    ! #SUP  4.48
assign  ((resid   59 and name HA   )) ((resid   59 and name HD1* ))   3.81  2.01  0.00 ! #SUP  3.82
or      ((resid   59 and name HA   )) ((resid   59 and name HG2* ))                    ! #SUP  5.82
assign  ((resid   53 and name HG2* )) ((resid   59 and name HA   ))   4.86  3.06  0.00 ! #SUP  3.45
or      ((resid   53 and name HD1* )) ((resid   59 and name HA   ))                    ! #SUP  1.02
assign  ((resid   16 and name HA   )) ((resid   17 and name HG1  ))   4.36  2.56  0.00 ! #SUP  4.40
or      ((resid   16 and name HA   )) ((resid   17 and name HB2  ))                    ! #SUP  5.16
assign  ((resid   51 and name HB2  )) ((resid   52 and name HA   ))   5.48  3.68  0.00 ! #SUP  3.20
or      ((resid   52 and name HA   )) ((resid   61 and name HB*  ))                    ! #SUP  3.61
assign  ((resid   21 and name HA   )) ((resid   22 and name HB*  ))   4.01  2.21  0.00 ! #SUP  5.66
or      ((resid   20 and name HB   )) ((resid   21 and name HA   ))                    ! #SUP  4.01
or      ((resid   21 and name HA   )) ((resid   25 and name HB1  ))                    ! #SUP  2.70
or      ((resid    6 and name HB   )) ((resid   21 and name HA   ))                    ! #SUP  2.83
assign  ((resid    6 and name HG2* )) ((resid   21 and name HA   ))   4.16  2.36  0.00 ! #SUP  5.59
or      ((resid    7 and name HG2* )) ((resid   21 and name HA   ))                    ! #SUP  6.52
assign  ((resid   10 and name HA   )) ((resid   18 and name HG2* ))   4.65  2.85  0.00 ! #SUP  5.03
or      ((resid    8 and name HG2  )) ((resid   10 and name HA   ))                    ! #SUP  1.15
or      ((resid    8 and name HG1  )) ((resid   10 and name HA   ))                    ! #SUP  0.83
assign  ((resid   67 and name HA   )) ((resid   67 and name HB1  ))   2.75  0.95  0.00 ! #SUP  5.21
or      ((resid   68 and name HA   )) ((resid   68 and name HB1  ))                    ! #SUP  4.56
assign  ((resid   67 and name HA   )) ((resid   67 and name HG2  ))   3.24  1.44  0.00 ! #SUP  5.37
or      ((resid   66 and name HB*  )) ((resid   67 and name HA   ))                    ! #SUP  3.86
or      ((resid   67 and name HG2  )) ((resid   68 and name HA   ))                    ! #SUP  4.33
assign  ((resid   44 and name HB1  )) ((resid   45 and name HA   ))   3.94  2.14  0.00 ! #SUP  3.73
or      ((resid   45 and name HA   )) ((resid   51 and name HB1  ))                    ! #SUP  1.62
assign  ((resid   40 and name HG2  )) ((resid   55 and name HA   ))   3.77  1.97  0.00 ! #SUP  3.73
or      ((resid   54 and name HG2  )) ((resid   55 and name HA   ))                    ! #SUP  4.10
assign  ((resid    8 and name HA   )) ((resid    8 and name HG2  ))   3.23  1.43  0.00 ! #SUP  7.63
or      ((resid    8 and name HA   )) ((resid    8 and name HG1  ))                    ! #SUP  6.36
assign  ((resid   46 and name HG2* )) ((resid   51 and name HA   ))   4.58  2.78  0.00 ! #SUP  3.61
or      ((resid   51 and name HA   )) ((resid   52 and name HG12 ))                    ! #SUP  5.41
assign  ((resid   51 and name HA   )) ((resid   52 and name HG2* ))   5.34  3.54  0.00 ! #SUP  6.04
or      ((resid   51 and name HA   )) ((resid   52 and name HG2* ))                    ! #SUP  6.04
assign  ((resid   17 and name HA   )) ((resid   17 and name HE1  ))   5.16  3.36  0.00 ! #SUP  6.95
or      ((resid   17 and name HA   )) ((resid   17 and name HE2  ))                    ! #SUP  6.34
assign  ((resid   17 and name HA   )) ((resid   18 and name HB   ))   4.58  2.78  0.00 ! #SUP  4.67
or      ((resid   17 and name HA   )) ((resid   29 and name HB2  ))                    ! #SUP  1.89
!assign  ((resid   60 and name HA   )) ((resid   60 and name HD2  ))   3.04  1.24  0.00 ! #SUP  2.96
!or      ((resid   60 and name HA   )) ((resid   60 and name HD1  ))                    ! #SUP  2.19
assign  ((resid   20 and name HG2* )) ((resid   58 and name HA   ))   4.62  2.82  0.00 ! #SUP  2.56
or      ((resid   20 and name HG1* )) ((resid   58 and name HA   ))                    ! #SUP  1.94
or      ((resid   58 and name HA   )) ((resid   59 and name HG11 ))                    ! #SUP  4.60
assign  ((resid    3 and name HA   )) ((resid    3 and name HB1  ))   2.91  1.11  0.00 ! #SUP  5.09
or      ((resid    3 and name HA   )) ((resid    6 and name HB   ))                    ! #SUP  4.66
or      ((resid    3 and name HA   )) ((resid    3 and name HE#  ))                    ! #SUP  3.50
assign  ((resid    1 and name HG*  )) ((resid    3 and name HA   ))   3.79  1.99  0.00 ! #SUP  2.23
or      ((resid    3 and name HA   )) ((resid    6 and name HG2* ))                    ! #SUP  4.24
assign  ((resid   28 and name HA   )) ((resid   28 and name HG2  ))   3.59  1.79  0.00 ! #SUP  4.91
or      ((resid   28 and name HA   )) ((resid   28 and name HG1  ))                    ! #SUP  5.12
assign  ((resid   18 and name HG1* )) ((resid   28 and name HA   ))   4.70  2.90  0.00 ! #SUP  6.10
or      ((resid   18 and name HG2* )) ((resid   28 and name HA   ))                    ! #SUP  5.83
assign  ((resid   26 and name HA   )) ((resid   26 and name HG1  ))   3.53  1.73  0.00 ! #SUP  4.99
or      ((resid   26 and name HA   )) ((resid   26 and name HG2  ))                    ! #SUP  4.18
assign  ((resid   26 and name HA   )) ((resid   26 and name HB1  ))   3.04  1.24  0.00 ! #SUP  6.18
or      ((resid   28 and name HA   )) ((resid   28 and name HB2  ))                    ! #SUP  5.22
or      ((resid   26 and name HA   )) ((resid   26 and name HB2  ))                    ! #SUP  4.08
assign  ((resid   20 and name HG2* )) ((resid   26 and name HA   ))   4.35  2.55  0.00 ! #SUP  6.93
or      ((resid   20 and name HG1* )) ((resid   26 and name HA   ))                    ! #SUP  5.81
!assign  ((resid   54 and name HA   )) ((resid   60 and name HD2  ))   5.05  3.25  0.00 ! #SUP  2.27
!or      ((resid   54 and name HA   )) ((resid   60 and name HD1  ))                    ! #SUP  2.43
assign  ((resid   54 and name HA   )) ((resid   54 and name HG1  ))   3.94  2.14  0.00 ! #SUP  4.28
or      ((resid   54 and name HA   )) ((resid   60 and name HB1  ))                    ! #SUP  3.01
assign  ((resid   54 and name HA   )) ((resid   59 and name HG11 ))   5.03  3.23  0.00 ! #SUP  3.34
or      ((resid   53 and name HG12 )) ((resid   54 and name HA   ))                    ! #SUP  4.01
assign  ((resid   19 and name HA   )) ((resid   20 and name HB   ))   4.11  2.31  0.00 ! #SUP  3.86
or      ((resid   18 and name HB   )) ((resid   19 and name HA   ))                    ! #SUP  3.82
assign  ((resid   19 and name HA   )) ((resid   20 and name HG2* ))   4.10  2.30  0.00 ! #SUP  4.54
or      ((resid    9 and name HG2* )) ((resid   19 and name HA   ))                    ! #SUP  1.07
assign  ((resid    1 and name HG*  )) ((resid   19 and name HA   ))   4.43  2.63  0.00 ! #SUP  2.50
or      ((resid    6 and name HG2* )) ((resid   19 and name HA   ))                    ! #SUP  2.08
assign  ((resid   44 and name HA   )) ((resid   44 and name HG*  ))   3.52  1.72  0.00 ! #SUP  4.31
or      ((resid   38 and name HA   )) ((resid   38 and name HG1  ))                    ! #SUP  7.91
assign  ((resid   47 and name HB2  )) ((resid   48 and name HA   ))   4.06  2.26  0.00 ! #SUP  5.04
or      ((resid   63 and name HA   )) ((resid   66 and name HB*  ))                    ! #SUP  0.33
or      ((resid   63 and name HA   )) ((resid   67 and name HG2  ))                    ! #SUP  0.55
assign  ((resid   34 and name HA   )) ((resid   35 and name HB*  ))   3.86  2.06  0.00 ! #SUP  3.45
or      ((resid   33 and name HA1  )) ((resid   34 and name HA   ))                    ! #SUP  3.68
assign  ((resid   54 and name HG2  )) ((resid   57 and name HA   ))   5.14  3.34  0.00 ! #SUP  4.04
or      ((resid   54 and name HG1  )) ((resid   57 and name HA   ))                    ! #SUP  1.59
assign  ((resid   54 and name HE#  )) ((resid   57 and name HA   ))   4.29  2.49  0.00 ! #SUP  3.53
or      ((resid   57 and name HA   )) ((resid   58 and name HG1  ))                    ! #SUP  2.98
assign  ((resid    2 and name HA   )) ((resid    2 and name HB2  ))   3.00  1.20  0.00 ! #SUP  3.00
or      ((resid   48 and name HA   )) ((resid   48 and name HB1  ))                    ! #SUP  3.93
or      ((resid   38 and name HA   )) ((resid   38 and name HG2  ))                    ! #SUP  5.64
assign  ((resid   29 and name HB1  )) ((resid   33 and name HA2  ))   4.43  2.63  0.00 ! #SUP  0.75
or      ((resid   33 and name HA2  )) ((resid   34 and name HB2  ))                    ! #SUP  3.37
assign  ((resid   26 and name HB1  )) ((resid   27 and name HA2  ))   3.88  2.08  0.00 ! #SUP  2.84
or      ((resid   27 and name HA2  )) ((resid   28 and name HB2  ))                    ! #SUP  2.84
or      ((resid   26 and name HB2  )) ((resid   27 and name HA2  ))                    ! #SUP  2.01
assign  ((resid   15 and name HA2  )) ((resid   31 and name HD1  ))   4.51  2.71  0.00 ! #SUP  4.48
or      ((resid   15 and name HA2  )) ((resid   31 and name HD2  ))                    ! #SUP  4.44
assign  ((resid   26 and name HA   )) ((resid   27 and name HA1  ))   4.36  2.56  0.00 ! #SUP  3.77
or      ((resid   27 and name HA1  )) ((resid   28 and name HA   ))                    ! #SUP  3.21
assign  ((resid   26 and name HB1  )) ((resid   27 and name HA1  ))   4.32  2.52  0.00 ! #SUP  3.53
or      ((resid   27 and name HA1  )) ((resid   28 and name HB2  ))                    ! #SUP  3.01
or      ((resid   26 and name HB2  )) ((resid   27 and name HA1  ))                    ! #SUP  2.65
assign  ((resid   15 and name HA1  )) ((resid   31 and name HD1  ))   4.67  2.87  0.00 ! #SUP  3.46
or      ((resid   15 and name HA1  )) ((resid   31 and name HD2  ))                    ! #SUP  3.51
assign  ((resid   52 and name HG2* )) ((resid   61 and name HD1  ))   4.96  3.16  0.00 ! #SUP  3.78
or      ((resid   52 and name HG2* )) ((resid   61 and name HD2  ))                    ! #SUP  3.78
assign  ((resid   64 and name HN   )) ((resid   61 and name HD1  ))   5.50  3.70  0.00 ! #by hand
or      ((resid   64 and name HN   )) ((resid   61 and name HD2  ))                    ! #by hand
assign  ((resid   67 and name HB2  )) ((resid   67 and name HD*  ))   3.35  1.55  0.00 ! #SUP  4.31
or      ((resid   47 and name HB1  )) ((resid   47 and name HD*  ))                    ! #SUP  4.43
!assign  ((resid   52 and name HB   )) ((resid   60 and name HD1  ))   5.50  3.70  0.00 ! #SUP  3.82
!or      ((resid   52 and name HB   )) ((resid   60 and name HD2  ))                    ! #SUP  3.05
assign  ((resid   52 and name HB   )) ((resid   61 and name HB*  ))   4.83  3.03  0.00 ! #SUP  2.37
or      ((resid   18 and name HB   )) ((resid   52 and name HB   ))                    ! #SUP  0.75
or      ((resid   44 and name HB2  )) ((resid   52 and name HB   ))                    ! #SUP  1.11
assign  ((resid   34 and name HD*  )) ((resid   34 and name HE*  ))   2.72  0.92  0.00 ! #SUP  2.98
or      ((resid   68 and name HD*  )) ((resid   68 and name HE*  ))                    ! #SUP  2.04
assign  ((resid   17 and name HD*  )) ((resid   17 and name HE2  ))   2.62  0.82  0.00 ! #SUP  5.30
or      ((resid   42 and name HD*  )) ((resid   42 and name HE*  ))                    ! #SUP  4.56
assign  ((resid   22 and name HG*  )) ((resid   22 and name HE*  ))   2.91  1.11  0.00 ! #SUP  2.67
or      ((resid   17 and name HG2  )) ((resid   17 and name HE2  ))                    ! #SUP  5.26
or      ((resid   17 and name HG2  )) ((resid   17 and name HE1  ))                    ! #SUP  6.95
assign  ((resid   55 and name HD1  )) ((resid   55 and name HE*  ))   2.94  1.14  0.00 ! #SUP  5.87
or      ((resid   51 and name HG1  )) ((resid   51 and name HE*  ))                    ! #SUP  2.76
or      ((resid   42 and name HG2  )) ((resid   42 and name HE*  ))                    ! #SUP  5.99
or      ((resid   25 and name HG1  )) ((resid   25 and name HE*  ))                    ! #SUP  4.39
assign  ((resid   51 and name HG2  )) ((resid   51 and name HE*  ))   3.22  1.42  0.00 ! #SUP  2.76
or      ((resid   25 and name HG2  )) ((resid   25 and name HE*  ))                    ! #SUP  4.21
assign  ((resid   42 and name HB1  )) ((resid   53 and name HB   ))   4.60  2.80  0.00 ! #SUP  1.03
or      ((resid   42 and name HB2  )) ((resid   53 and name HB   ))                    ! #SUP  1.51
assign  ((resid   63 and name HB2  )) ((resid   66 and name HD1* ))   4.86  3.06  0.00 ! #SUP  1.74
or      ((resid   43 and name HG2* )) ((resid   60 and name HB2  ))                    ! #SUP  0.24
assign  ((resid   62 and name HD1* )) ((resid   63 and name HB2  ))   4.37  2.57  0.00 ! #SUP  6.64
or      ((resid   59 and name HG2* )) ((resid   60 and name HB2  ))                    ! #SUP  4.00
or      ((resid   52 and name HG2* )) ((resid   60 and name HB2  ))                    ! #SUP  4.28
or      ((resid   52 and name HG2* )) ((resid   60 and name HB2  ))                    ! #SUP  4.28
assign  ((resid   31 and name HE*  )) ((resid   32 and name HE*  ))   3.72  1.92  0.00 ! #SUP  4.27
or      ((resid   31 and name HE*  )) ((resid   32 and name HZ   ))                    ! #SUP  2.70
assign  ((resid   31 and name HD2  )) ((resid   31 and name HE*  ))   3.00  1.20  0.00 ! #SUP  6.85
or      ((resid   31 and name HD1  )) ((resid   31 and name HE*  ))                    ! #SUP  6.66
assign  ((resid    8 and name HG1  )) ((resid    8 and name HE2  ))   3.40  1.60  0.00 ! #SUP  4.64
or      ((resid    8 and name HG2  )) ((resid    8 and name HE2  ))                    ! #SUP  5.57
assign  ((resid    8 and name HG1  )) ((resid    8 and name HE1  ))   3.39  1.59  0.00 ! #SUP  4.65
or      ((resid    8 and name HG2  )) ((resid    8 and name HE1  ))                    ! #SUP  5.59
assign  ((resid   21 and name HB2  )) ((resid   22 and name HA   ))   5.10  3.30  0.00 ! #SUP  5.15
or      ((resid    6 and name HA   )) ((resid   21 and name HB2  ))                    ! #SUP  3.87
assign  ((resid   21 and name HB2  )) ((resid   25 and name HB1  ))   4.76  2.96  0.00 ! #SUP  5.65
or      ((resid   21 and name HB2  )) ((resid   22 and name HB*  ))                    ! #SUP  5.45
assign  ((resid   10 and name HB2  )) ((resid   12 and name HD2* ))   5.50  3.70  0.00 ! #SUP  1.55
or      ((resid   10 and name HB2  )) ((resid   52 and name HG2* ))                    ! #SUP  2.22
or      ((resid   10 and name HB2  )) ((resid   52 and name HG2* ))                    ! #SUP  2.22
assign  ((resid    5 and name HB2  )) ((resid   22 and name HE*  ))   4.38  2.58  0.00 ! #SUP  0.38
or      ((resid    5 and name HB2  )) ((resid   25 and name HE*  ))                    ! #SUP  0.02
assign  ((resid   10 and name HB1  )) ((resid   18 and name HG2* ))   5.24  3.44  0.00 ! #SUP  4.86
or      ((resid   10 and name HB1  )) ((resid   12 and name HD1* ))                    ! #SUP  2.20
assign  ((resid   10 and name HB1  )) ((resid   12 and name HD2* ))   5.10  3.30  0.00 ! #SUP  3.49
or      ((resid   10 and name HB1  )) ((resid   52 and name HG2* ))                    ! #SUP  2.35
or      ((resid   10 and name HB1  )) ((resid   52 and name HG2* ))                    ! #SUP  2.35
assign  ((resid   32 and name HB2  )) ((resid   34 and name HG1  ))   4.89  3.09  0.00 ! #SUP  2.01
or      ((resid   30 and name HB2  )) ((resid   34 and name HG1  ))                    ! #SUP  2.40
or      ((resid   31 and name HD2  )) ((resid   32 and name HB2  ))                    ! #SUP  4.52
or      ((resid   31 and name HD1  )) ((resid   32 and name HB2  ))                    ! #SUP  4.41
assign  ((resid   31 and name HG2  )) ((resid   32 and name HB2  ))   5.15  3.35  0.00 ! #SUP  5.36
or      ((resid   30 and name HB2  )) ((resid   31 and name HG2  ))                    ! #SUP  4.98
assign  ((resid   30 and name HB1  )) ((resid   36 and name HE#  ))   5.50  3.70  0.00 ! #SUP  2.35
or      ((resid   30 and name HB1  )) ((resid   36 and name HB1  ))                    ! #SUP  1.63
assign  ((resid   32 and name HB1  )) ((resid   34 and name HG1  ))   5.03  3.23  0.00 ! #SUP  2.85
or      ((resid   31 and name HD2  )) ((resid   32 and name HB1  ))                    ! #SUP  4.61
or      ((resid   31 and name HD1  )) ((resid   32 and name HB1  ))                    ! #SUP  4.44
assign  ((resid   17 and name HB2  )) ((resid   17 and name HE1  ))   4.89  3.09  0.00 ! #SUP  6.93
or      ((resid   17 and name HB2  )) ((resid   17 and name HE2  ))                    ! #SUP  6.03
assign  ((resid   17 and name HB1  )) ((resid   17 and name HE1  ))   5.42  3.62  0.00 ! #SUP  6.79
or      ((resid   17 and name HB1  )) ((resid   17 and name HE2  ))                    ! #SUP  5.99
assign  ((resid   17 and name HB2  )) ((resid   29 and name HB2  ))   5.48  3.68  0.00 ! #SUP  4.88
or      ((resid   17 and name HB2  )) ((resid   29 and name HB1  ))                    ! #SUP  4.36
assign  ((resid   58 and name HB*  )) ((resid   58 and name HG2  ))   3.00  1.20  0.00 ! #SUP  5.13
or      ((resid   40 and name HB1  )) ((resid   40 and name HG1  ))                    ! #SUP  4.63
or      ((resid   45 and name HB1  )) ((resid   45 and name HG1  ))                    ! #SUP  4.98
assign  ((resid   18 and name HG2* )) ((resid   28 and name HB2  ))   4.18  2.38  0.00 ! #SUP  1.83
or      ((resid   18 and name HG2* )) ((resid   26 and name HB2  ))                    ! #SUP  0.77
assign  ((resid   20 and name HA   )) ((resid   26 and name HB1  ))   4.29  2.49  0.00 ! #SUP  4.74
or      ((resid   20 and name HA   )) ((resid   26 and name HB2  ))                    ! #SUP  2.87
assign  ((resid   18 and name HG1* )) ((resid   28 and name HB1  ))   4.44  2.64  0.00 ! #SUP  3.19
or      ((resid   18 and name HG2* )) ((resid   28 and name HB1  ))                    ! #SUP  3.82
assign  ((resid   64 and name HB2  )) ((resid   64 and name HG*  ))   2.40  0.60  0.00 ! #SUP  3.86
or      ((resid   72 and name HB2  )) ((resid   72 and name HG*  ))                    ! #SUP  2.00
assign  ((resid   44 and name HB1  )) ((resid   52 and name HG12 ))   5.25  3.45  0.00 ! #SUP  3.61
or      ((resid   44 and name HB1  )) ((resid   46 and name HG2* ))                    ! #SUP  0.44
assign  ((resid   54 and name HB1  )) ((resid   59 and name HD1* ))   5.06  3.26  0.00 ! #SUP  3.69
or      ((resid   12 and name HD2* )) ((resid   44 and name HB1  ))                    ! #SUP  2.36
assign  ((resid    8 and name HB2  )) ((resid   20 and name HG2* ))   4.21  2.41  0.00 ! #SUP  3.29
or      ((resid   43 and name HG2* )) ((resid   44 and name HB1  ))                    ! #SUP  5.43
or      ((resid   54 and name HB1  )) ((resid   59 and name HG11 ))                    ! #SUP  1.79
or      ((resid   53 and name HG12 )) ((resid   54 and name HB1  ))                    ! #SUP  3.85
or      ((resid    8 and name HB2  )) ((resid    9 and name HG2* ))                    ! #SUP  3.95
assign  ((resid   39 and name HG2  )) ((resid   42 and name HB2  ))   5.44  3.64  0.00 ! #SUP  0.71
or      ((resid   40 and name HB2  )) ((resid   42 and name HB2  ))                    ! #SUP  0.63
assign  ((resid    8 and name HB1  )) ((resid   20 and name HB   ))   3.94  2.14  0.00 ! #SUP  3.92
or      ((resid    7 and name HB   )) ((resid    8 and name HB1  ))                    ! #SUP  4.09
assign  ((resid   42 and name HB2  )) ((resid   42 and name HE*  ))   4.82  3.02  0.00 ! #SUP  5.23
or      ((resid   42 and name HB1  )) ((resid   42 and name HE*  ))                    ! #SUP  5.75
assign  ((resid   17 and name HB2  )) ((resid   29 and name HB2  ))   5.00  3.20  0.00 ! #SUP  4.88
or      ((resid   17 and name HG1  )) ((resid   29 and name HB2  ))                    ! #SUP  3.97
assign  ((resid   17 and name HG1  )) ((resid   29 and name HB1  ))   4.92  3.12  0.00 ! #SUP  1.73
or      ((resid   17 and name HB2  )) ((resid   29 and name HB1  ))                    ! #SUP  4.36
assign  ((resid    1 and name HG*  )) ((resid   19 and name HB2  ))   4.66  2.86  0.00 ! #SUP  2.42
or      ((resid    6 and name HG2* )) ((resid   19 and name HB2  ))                    ! #SUP  3.86
assign  ((resid    1 and name HG*  )) ((resid   19 and name HB1  ))   4.94  3.14  0.00 ! #SUP  2.43
or      ((resid    6 and name HG2* )) ((resid   19 and name HB1  ))                    ! #SUP  3.85
assign  ((resid    6 and name HG1* )) ((resid   19 and name HB1  ))   5.02  3.22  0.00 ! #SUP  2.77
or      ((resid   19 and name HB1  )) ((resid   59 and name HG2* ))                    ! #SUP  1.36
assign  ((resid   21 and name HD*  )) ((resid   25 and name HB1  ))   4.00  2.20  0.00 ! #SUP  6.33
or      ((resid    6 and name HB   )) ((resid   21 and name HD*  ))                    ! #SUP  4.29
assign  ((resid   21 and name HA   )) ((resid   22 and name HB*  ))   4.37  2.57  0.00 ! #SUP  5.66
or      ((resid   20 and name HB   )) ((resid   21 and name HA   ))                    ! #SUP  4.01
or      ((resid   21 and name HA   )) ((resid   25 and name HB1  ))                    ! #SUP  2.70
assign  ((resid   68 and name HB2  )) ((resid   68 and name HG1  ))   3.04  1.24  0.00 ! #SUP  5.68
or      ((resid   34 and name HB2  )) ((resid   34 and name HG1  ))                    ! #SUP  6.10
or      ((resid   68 and name HB2  )) ((resid   68 and name HG2  ))                    ! #SUP  5.16
assign  ((resid   34 and name HB1  )) ((resid   34 and name HG1  ))   2.99  1.19  0.00 ! #SUP  5.87
or      ((resid   68 and name HB1  )) ((resid   68 and name HG1  ))                    ! #SUP  5.32
assign  ((resid    3 and name HB1  )) ((resid    3 and name HG1  ))   2.77  0.97  0.00 ! #SUP  5.07
or      ((resid   26 and name HB1  )) ((resid   26 and name HG1  ))                    ! #SUP  3.94
or      ((resid    3 and name HG1  )) ((resid    3 and name HE#  ))                    ! #SUP  3.38
or      ((resid   38 and name HB2  )) ((resid   38 and name HG1  ))                    ! #SUP  5.34
assign  ((resid   20 and name HG2* )) ((resid   26 and name HG2  ))   3.91  2.11  0.00 ! #SUP  5.16
or      ((resid   20 and name HG1* )) ((resid   26 and name HG2  ))                    ! #SUP  3.74
assign  ((resid   20 and name HG2* )) ((resid   26 and name HG1  ))   3.84  2.04  0.00 ! #SUP  6.47
or      ((resid   20 and name HG1* )) ((resid   26 and name HG1  ))                    ! #SUP  5.03
assign  ((resid    3 and name HA   )) ((resid    3 and name HG1  ))   3.53  1.73  0.00 ! #SUP  6.00
or      ((resid   20 and name HA   )) ((resid   26 and name HG1  ))                    ! #SUP  5.43
assign  ((resid   31 and name HB2  )) ((resid   31 and name HD1  ))   3.54  1.74  0.00 ! #SUP  6.69
or      ((resid   31 and name HB2  )) ((resid   31 and name HD2  ))                    ! #SUP  6.88
assign  ((resid   36 and name HB1  )) ((resid   36 and name HG*  ))   3.00  1.20  0.00 ! #SUP  4.62
or      ((resid   36 and name HG*  )) ((resid   36 and name HE#  ))                    ! #SUP  2.68
assign  ((resid   67 and name HB2  )) ((resid   67 and name HG2  ))   2.94  1.14  0.00 ! #SUP  5.21
or      ((resid   67 and name HB2  )) ((resid   67 and name HG1  ))                    ! #SUP  5.13
assign  ((resid   72 and name HB1  )) ((resid   72 and name HG*  ))   2.59  0.79  0.00 ! #SUP  2.96
or      ((resid   64 and name HB1  )) ((resid   64 and name HG*  ))                    ! #SUP  3.86
assign  ((resid   11 and name HB2  )) ((resid   47 and name HB1  ))   4.13  2.33  0.00 ! #SUP  3.83
or      ((resid   11 and name HB1  )) ((resid   47 and name HB1  ))                    ! #SUP  2.95
or      ((resid   47 and name HB1  )) ((resid   48 and name HB1  ))                    ! #SUP  3.81
assign  ((resid   11 and name HB2  )) ((resid   47 and name HB2  ))   4.26  2.46  0.00 ! #SUP  3.07
or      ((resid   47 and name HB2  )) ((resid   48 and name HB1  ))                    ! #SUP  4.65
or      ((resid   11 and name HB1  )) ((resid   47 and name HB2  ))                    ! #SUP  3.04
assign  ((resid   17 and name HD*  )) ((resid   29 and name HB2  ))   3.45  1.65  0.00 ! #SUP  1.53
or      ((resid   17 and name HD*  )) ((resid   18 and name HB   ))                    ! #SUP  4.83
assign  ((resid   42 and name HB1  )) ((resid   42 and name HD*  ))   2.40  0.60  0.00 ! #SUP  4.83
or      ((resid   42 and name HB2  )) ((resid   42 and name HD*  ))                    ! #SUP  5.20
assign  ((resid   17 and name HD*  )) ((resid   17 and name HE1  ))   2.86  1.06  0.00 ! #SUP  6.86
or      ((resid   42 and name HD*  )) ((resid   42 and name HE*  ))                    ! #SUP  4.56
or      ((resid   17 and name HD*  )) ((resid   17 and name HE2  ))                    ! #SUP  5.30
assign  ((resid   17 and name HG1  )) ((resid   17 and name HD*  ))   2.91  1.11  0.00 ! #SUP  7.45
or      ((resid   17 and name HB2  )) ((resid   17 and name HD*  ))                    ! #SUP  6.86
assign  ((resid   34 and name HG1  )) ((resid   34 and name HD*  ))   2.70  0.90  0.00 ! #SUP  6.51
or      ((resid   68 and name HG1  )) ((resid   68 and name HD*  ))                    ! #SUP  4.49
or      ((resid   68 and name HG2  )) ((resid   68 and name HD*  ))                    ! #SUP  3.69
assign  ((resid   31 and name HB1  )) ((resid   31 and name HD1  ))   2.85  1.05  0.00 ! #SUP  6.99
or      ((resid   31 and name HB1  )) ((resid   31 and name HD2  ))                    ! #SUP  7.18
assign  ((resid   34 and name HA   )) ((resid   34 and name HD*  ))   3.66  1.86  0.00 ! #SUP  6.61
or      ((resid   55 and name HA   )) ((resid   55 and name HD2  ))                    ! #SUP  6.78
assign  ((resid   42 and name HG2  )) ((resid   53 and name HG11 ))   4.84  3.04  0.00 ! #SUP  2.21
or      ((resid   53 and name HG11 )) ((resid   55 and name HD1  ))                    ! #SUP  1.27
assign  ((resid   39 and name HG2  )) ((resid   42 and name HB1  ))   4.28  2.48  0.00 ! #SUP  2.65
or      ((resid   39 and name HG2  )) ((resid   42 and name HB2  ))                    ! #SUP  0.71
assign  ((resid   67 and name HG1  )) ((resid   68 and name HG1  ))   3.26  1.46  0.00 ! #SUP  4.25
or      ((resid   67 and name HG1  )) ((resid   68 and name HG2  ))                    ! #SUP  4.28
assign  ((resid   38 and name HE#  )) ((resid   59 and name HG12 ))   4.75  2.95  0.00 ! #SUP  1.17
or      ((resid   26 and name HB1  )) ((resid   59 and name HG12 ))                    ! #SUP  0.75
assign  ((resid   26 and name HE#  )) ((resid   59 and name HG11 ))   4.34  2.54  0.00 ! #SUP  1.50
or      ((resid   43 and name HB   )) ((resid   53 and name HG12 ))                    ! #SUP  1.57
assign  ((resid   52 and name HG2* )) ((resid   61 and name HG1  ))   5.05  3.25  0.00 ! #SUP  4.00
or      ((resid   52 and name HG2* )) ((resid   61 and name HG1  ))                    ! #SUP  4.00
assign  ((resid   67 and name HA   )) ((resid   67 and name HG2  ))   3.74  1.94  0.00 ! #SUP  5.37
or      ((resid   67 and name HG2  )) ((resid   68 and name HA   ))                    ! #SUP  4.33
assign  ((resid   67 and name HB1  )) ((resid   67 and name HG2  ))   2.85  1.05  0.00 ! #SUP  5.44
or      ((resid   67 and name HG2  )) ((resid   68 and name HB1  ))                    ! #SUP  4.33
assign  ((resid   67 and name HA   )) ((resid   67 and name HG1  ))   3.44  1.64  0.00 ! #SUP  5.34
or      ((resid   66 and name HA   )) ((resid   66 and name HG   ))                    ! #SUP  4.26
or      ((resid   67 and name HG1  )) ((resid   68 and name HA   ))                    ! #SUP  4.85
assign  ((resid   47 and name HG*  )) ((resid   47 and name HD*  ))   2.74  0.94  0.00 ! #SUP  4.62
or      ((resid   67 and name HG1  )) ((resid   67 and name HD*  ))                    ! #SUP  4.43
assign  ((resid   12 and name HB1  )) ((resid   12 and name HD1* ))   4.12  2.32  0.00 ! #SUP  4.89
or      ((resid   12 and name HD1* )) ((resid   44 and name HB1  ))                    ! #SUP  4.60
assign  ((resid    7 and name HG2* )) ((resid   22 and name HG*  ))   4.21  2.41  0.00 ! #SUP  4.92
or      ((resid    6 and name HG2* )) ((resid   22 and name HG*  ))                    ! #SUP  3.76
assign  ((resid   25 and name HG1  )) ((resid   25 and name HE*  ))   3.89  2.09  0.00 ! #SUP  4.39
or      ((resid   51 and name HG1  )) ((resid   51 and name HE*  ))                    ! #SUP  2.76
assign  ((resid   66 and name HA   )) ((resid   66 and name HD1* ))   4.28  2.48  0.00 ! #SUP  5.11
or      ((resid   66 and name HD1* )) ((resid   67 and name HA   ))                    ! #SUP  4.55
assign  ((resid   17 and name HG1  )) ((resid   17 and name HE1  ))   3.55  1.75  0.00 ! #SUP  6.98
or      ((resid   17 and name HG1  )) ((resid   17 and name HE2  ))                    ! #SUP  5.26
assign  ((resid   44 and name HB2  )) ((resid   52 and name HG12 ))   4.53  2.73  0.00 ! #SUP  2.83
or      ((resid   18 and name HB   )) ((resid   52 and name HG12 ))                    ! #SUP  1.19
or      ((resid   44 and name HE#  )) ((resid   52 and name HG12 ))                    ! #SUP  1.22
or      ((resid   43 and name HB   )) ((resid   52 and name HG12 ))                    ! #SUP  1.54
assign  ((resid   68 and name HA   )) ((resid   68 and name HG2  ))   4.13  2.33  0.00 ! #SUP  4.63
or      ((resid   67 and name HA   )) ((resid   68 and name HG2  ))                    ! #SUP  3.77
assign  ((resid   34 and name HG1  )) ((resid   34 and name HE*  ))   3.59  1.79  0.00 ! #SUP  3.50
or      ((resid   68 and name HG1  )) ((resid   68 and name HE*  ))                    ! #SUP  3.02
assign  ((resid   34 and name HG1  )) ((resid   34 and name HD*  ))   2.70  0.90  0.00 ! #SUP  6.51
or      ((resid   68 and name HG1  )) ((resid   68 and name HD*  ))                    ! #SUP  4.49
or      ((resid   67 and name HG2  )) ((resid   68 and name HG1  ))                    ! #SUP  5.22
assign  ((resid   42 and name HB1  )) ((resid   42 and name HG2  ))   2.79  0.99  0.00 ! #SUP  6.18
or      ((resid   42 and name HB2  )) ((resid   42 and name HG2  ))                    ! #SUP  7.03
assign  ((resid   42 and name HB1  )) ((resid   42 and name HG1  ))   2.88  1.08  0.00 ! #SUP  5.54
or      ((resid   42 and name HB2  )) ((resid   42 and name HG1  ))                    ! #SUP  6.19
assign  ((resid    8 and name HB1  )) ((resid    8 and name HG1  ))   3.00  1.20  0.00 ! #SUP  5.71
or      ((resid    8 and name HG2  )) ((resid    8 and name HD*  ))                    ! #SUP  7.64
or      ((resid    8 and name HG1  )) ((resid    8 and name HD*  ))                    ! #SUP  6.69
or      ((resid    8 and name HB1  )) ((resid    8 and name HG2  ))                    ! #SUP  6.34
assign  ((resid   66 and name HA   )) ((resid   66 and name HD2* ))   3.10  1.30  0.00 ! #SUP  5.00
or      ((resid   66 and name HD2* )) ((resid   67 and name HA   ))                    ! #SUP  4.58
assign  ((resid   43 and name HG1* )) ((resid   53 and name HG2* ))   4.14  2.34  0.00 ! #SUP  2.38
or      ((resid   43 and name HG1* )) ((resid   53 and name HD1* ))                    ! #SUP  2.02
assign  ((resid   43 and name HG2* )) ((resid   51 and name HB1  ))   3.86  2.06  0.00 ! #SUP  2.21
or      ((resid   43 and name HG2* )) ((resid   44 and name HB1  ))                    ! #SUP  5.43
assign  ((resid    9 and name HG2* )) ((resid   17 and name HD*  ))   3.76  1.96  0.00 ! #SUP  2.22
or      ((resid   42 and name HD*  )) ((resid   43 and name HG2* ))                    ! #SUP  3.20
assign  ((resid   43 and name HA   )) ((resid   43 and name HG1* ))   3.64  1.84  0.00 ! #SUP  4.97
or      ((resid    6 and name HA   )) ((resid    6 and name HG2* ))                    ! #SUP  5.23
assign  ((resid   12 and name HD2* )) ((resid   46 and name HG2* ))   3.49  1.69  0.00 ! #SUP  5.79
or      ((resid   46 and name HG2* )) ((resid   52 and name HG2* ))                    ! #SUP  3.85
or      ((resid   46 and name HG2* )) ((resid   52 and name HG2* ))                    ! #SUP  3.85
assign  ((resid    9 and name HG2* )) ((resid   17 and name HB2  ))   3.95  2.15  0.00 ! #SUP  2.61
or      ((resid    9 and name HG2* )) ((resid   17 and name HG1  ))                    ! #SUP  2.59
assign  ((resid    6 and name HG2* )) ((resid   19 and name HA   ))   4.48  2.68  0.00 ! #SUP  2.08
or      ((resid    6 and name HG2* )) ((resid    9 and name HA   ))                    ! #SUP  1.34
assign  ((resid    6 and name HG2* )) ((resid    8 and name HA   ))   4.52  2.72  0.00 ! #SUP  2.05
or      ((resid    6 and name HG2* )) ((resid   20 and name HA   ))                    ! #SUP  3.19
or      ((resid    3 and name HA   )) ((resid    6 and name HG2* ))                    ! #SUP  4.24
assign  ((resid   18 and name HG1* )) ((resid   28 and name HG2  ))   3.73  1.93  0.00 ! #SUP  3.94
or      ((resid   18 and name HG1* )) ((resid   28 and name HG1  ))                    ! #SUP  4.52
assign  ((resid   18 and name HG2* )) ((resid   20 and name HG2* ))   2.94  1.14  0.00 ! #SUP  2.23
or      ((resid    9 and name HG2* )) ((resid   18 and name HG2* ))                    ! #SUP  4.66
or      ((resid   18 and name HG2* )) ((resid   59 and name HG11 ))                    ! #SUP  0.75
or      ((resid    7 and name HG1* )) ((resid   20 and name HG2* ))                    ! #SUP  1.89
assign  ((resid   19 and name HA   )) ((resid   20 and name HG2* ))   4.61  2.81  0.00 ! #SUP  4.54
or      ((resid    9 and name HA   )) ((resid   20 and name HG2* ))                    ! #SUP  2.06
assign  ((resid   20 and name HG2* )) ((resid   26 and name HG1  ))   3.74  1.94  0.00 ! #SUP  6.47
or      ((resid   20 and name HG2* )) ((resid   26 and name HG2  ))                    ! #SUP  5.16
assign  ((resid   18 and name HG2* )) ((resid   20 and name HG2* ))   2.95  1.15  0.00 ! #SUP  2.23
or      ((resid   18 and name HG2* )) ((resid   59 and name HG11 ))                    ! #SUP  0.75
or      ((resid    9 and name HG2* )) ((resid   18 and name HG2* ))                    ! #SUP  4.66
assign  ((resid   50 and name HG2* )) ((resid   52 and name HG2* ))   4.12  2.32  0.00 ! #SUP  2.21
or      ((resid   50 and name HG2* )) ((resid   52 and name HG2* ))                    ! #SUP  2.21
assign  ((resid   10 and name HB1  )) ((resid   18 and name HG2* ))   3.96  2.16  0.00 ! #SUP  4.86
or      ((resid   18 and name HG2* )) ((resid   26 and name HG1  ))                    ! #SUP  1.03
or      ((resid   18 and name HG2* )) ((resid   19 and name HB2  ))                    ! #SUP  4.28
assign  ((resid    7 and name HG2* )) ((resid   20 and name HG1* ))   3.17  1.37  0.00 ! #SUP  2.83
or      ((resid    7 and name HG2* )) ((resid   20 and name HG2* ))                    ! #SUP  3.93
assign  ((resid    1 and name HG*  )) ((resid    3 and name HA   ))   4.22  2.42  0.00 ! #SUP  2.23
or      ((resid    1 and name HG*  )) ((resid   20 and name HA   ))                    ! #SUP  1.27
assign  ((resid    7 and name HG2* )) ((resid   22 and name HG*  ))   3.63  1.83  0.00 ! #SUP  4.92
or      ((resid    7 and name HG2* )) ((resid    8 and name HB1  ))                    ! #SUP  3.78
assign  ((resid   54 and name HE#  )) ((resid   57 and name HA   ))   3.23  1.43  0.00 ! #SUP  3.53
or      ((resid   40 and name HA   )) ((resid   54 and name HE#  ))                    ! #SUP  1.49
assign  ((resid   54 and name HG2  )) ((resid   54 and name HE#  ))   3.06  1.26  0.00 ! #SUP  1.34
or      ((resid   40 and name HG2  )) ((resid   54 and name HE#  ))                    ! #SUP  1.52
assign  ((resid   28 and name HG2  )) ((resid   28 and name HE#  ))   2.80  1.00  0.00 ! #SUP  2.30
or      ((resid   28 and name HG1  )) ((resid   28 and name HE#  ))                    ! #SUP  2.79
assign  ((resid   28 and name HE#  )) ((resid   36 and name HE#  ))   2.56  0.76  0.00 ! #SUP  0.52
or      ((resid   54 and name HB2  )) ((resid   54 and name HE#  ))                    ! #SUP  3.44
assign  ((resid   12 and name HD1* )) ((resid   44 and name HE#  ))   3.42  1.62  0.00 ! #SUP  1.51
or      ((resid   44 and name HE#  )) ((resid   53 and name HB   ))                    ! #SUP  2.64
assign  ((resid   38 and name HG1  )) ((resid   38 and name HE#  ))   3.36  1.56  0.00 ! #SUP  3.57
or      ((resid   44 and name HG*  )) ((resid   44 and name HE#  ))                    ! #SUP  1.35
assign  ((resid   20 and name HG2* )) ((resid   59 and name HG2* ))   5.09  3.29  0.00 ! #SUP  3.77
or      ((resid   20 and name HG1* )) ((resid   59 and name HG2* ))                    ! #SUP  2.43
assign  ((resid   38 and name HB1  )) ((resid   38 and name HE#  ))   3.07  1.27  0.00 ! #SUP  3.31
or      ((resid   38 and name HE#  )) ((resid   59 and name HB   ))                    ! #SUP  1.20
or      ((resid   44 and name HB1  )) ((resid   44 and name HE#  ))                    ! #SUP  2.83
assign  ((resid   26 and name HG1  )) ((resid   26 and name HE#  ))   2.99  1.19  0.00 ! #SUP  2.91
or      ((resid   26 and name HG2  )) ((resid   26 and name HE#  ))                    ! #SUP  2.40
assign  ((resid   20 and name HG2* )) ((resid   26 and name HE#  ))   3.10  1.30  0.00 ! #SUP  2.79
or      ((resid   26 and name HE#  )) ((resid   59 and name HG11 ))                    ! #SUP  1.50
assign  ((resid   59 and name HG2* )) ((resid   59 and name HG11 ))   4.01  2.21  0.00 ! #SUP  4.68
or      ((resid   20 and name HG2* )) ((resid   59 and name HG2* ))                    ! #SUP  3.77
assign  ((resid   10 and name HE*  )) ((resid   52 and name HG2* ))   4.40  2.60  0.00 ! #SUP  0.35
or      ((resid   10 and name HE*  )) ((resid   52 and name HG2* ))                    ! #SUP  0.35
assign  ((resid   52 and name HA   )) ((resid   52 and name HG2* ))   3.68  1.88  0.00 ! #SUP  7.16
or      ((resid   52 and name HA   )) ((resid   52 and name HG2* ))                    ! #SUP  7.16
assign  ((resid   52 and name HG2* )) ((resid   61 and name HA   ))   3.95  2.15  0.00 ! #SUP  3.88
or      ((resid   52 and name HG2* )) ((resid   61 and name HA   ))                    ! #SUP  3.88
assign  ((resid   52 and name HG2* )) ((resid   61 and name HG2  ))   4.65  2.85  0.00 ! #SUP  3.92
or      ((resid   52 and name HG2* )) ((resid   61 and name HG2  ))                    ! #SUP  3.92
assign  ((resid   52 and name HG2* )) ((resid   52 and name HG12 ))   3.64  1.84  0.00 ! #SUP  6.75
or      ((resid   52 and name HG2* )) ((resid   52 and name HG12 ))                    ! #SUP  6.75
or      ((resid   46 and name HG2* )) ((resid   52 and name HG2* ))                    ! #SUP  3.85
or      ((resid   46 and name HG2* )) ((resid   52 and name HG2* ))                    ! #SUP  3.85
assign  ((resid   52 and name HG2* )) ((resid   52 and name HD1* ))   3.59  1.79  0.00 ! #SUP  5.59
or      ((resid   52 and name HG2* )) ((resid   52 and name HD1* ))                    ! #SUP  5.59
assign  ((resid   52 and name HG2* )) ((resid   61 and name HB*  ))   4.53  2.73  0.00 ! #SUP  6.80
or      ((resid   52 and name HG2* )) ((resid   61 and name HB*  ))                    ! #SUP  6.80
assign  ((resid   54 and name HG2  )) ((resid   59 and name HD1* ))   4.21  2.41  0.00 ! #SUP  5.02
or      ((resid   54 and name HG1  )) ((resid   59 and name HD1* ))                    ! #SUP  3.16
assign  ((resid   58 and name HB*  )) ((resid   59 and name HD1* ))   3.56  1.76  0.00 ! #SUP  2.87
or      ((resid   38 and name HE#  )) ((resid   59 and name HD1* ))                    ! #SUP  1.13
or      ((resid   18 and name HB   )) ((resid   59 and name HD1* ))                    ! #SUP  0.75
assign  ((resid   62 and name HN   )) ((resid   62 and name HD1* ))   4.80  3.00  0.00 ! #SUP  8.32
or      ((resid   52 and name HG2* )) ((resid   62 and name HN   ))                    ! #SUP  3.47
or      ((resid   52 and name HG2* )) ((resid   62 and name HN   ))                    ! #SUP  3.47
assign  ((resid   61 and name HD1  )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.55
or      ((resid   61 and name HD2  )) ((resid   62 and name HN   ))                    ! #SUP  5.79
assign  ((resid   62 and name HN   )) ((resid   63 and name HB2  ))   5.50  3.70  0.00 ! #SUP  5.47
or      ((resid   60 and name HB2  )) ((resid   62 and name HN   ))                    ! #SUP  3.99
assign  ((resid   44 and name HN   )) ((resid   53 and name HG2* ))   5.50  3.70  0.00 ! #SUP  5.11
or      ((resid   44 and name HN   )) ((resid   53 and name HD1* ))                    ! #SUP  4.38
assign  ((resid   43 and name HN   )) ((resid   44 and name HN   ))   5.28  3.48  0.00 ! #SUP  4.46
or      ((resid   44 and name HN   )) ((resid   53 and name HN   ))                    ! #SUP  5.83
assign  ((resid   44 and name HN   )) ((resid   53 and name HB   ))   4.72  2.92  0.00 ! #SUP  5.64
or      ((resid   12 and name HD1* )) ((resid   44 and name HN   ))                    ! #SUP  4.42
assign  ((resid   44 and name HN   )) ((resid   52 and name HG2* ))   5.50  3.70  0.00 ! #SUP  4.95
or      ((resid   44 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  4.95
or      ((resid   12 and name HD2* )) ((resid   44 and name HN   ))                    ! #SUP  2.59
assign  ((resid   53 and name HD1* )) ((resid   54 and name HN   ))   5.03  3.23  0.00 ! #SUP  6.76
or      ((resid   53 and name HG2* )) ((resid   54 and name HN   ))                    ! #SUP  5.72
assign  ((resid   43 and name HN   )) ((resid   44 and name HN   ))   5.33  3.53  0.00 ! #SUP  4.46
or      ((resid   41 and name HN   )) ((resid   43 and name HN   ))                    ! #SUP  2.85
assign  ((resid   42 and name HB2  )) ((resid   43 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.26
or      ((resid   42 and name HB1  )) ((resid   43 and name HN   ))                    ! #SUP  6.40
assign  ((resid   43 and name HN   )) ((resid   43 and name HG2* ))   4.59  2.79  0.00 ! #SUP  6.34
or      ((resid   43 and name HN   )) ((resid   53 and name HG12 ))                    ! #SUP  3.33
assign  ((resid   43 and name HN   )) ((resid   53 and name HG2* ))   5.48  3.68  0.00 ! #SUP  3.48
or      ((resid   43 and name HN   )) ((resid   53 and name HD1* ))                    ! #SUP  3.85
assign  ((resid   59 and name HG2* )) ((resid   60 and name HN   ))   5.08  3.28  0.00 ! #SUP  5.23
or      ((resid   52 and name HG2* )) ((resid   60 and name HN   ))                    ! #SUP  6.22
or      ((resid   52 and name HG2* )) ((resid   60 and name HN   ))                    ! #SUP  6.22
assign  ((resid   53 and name HG2* )) ((resid   60 and name HN   ))   4.93  3.13  0.00 ! #SUP  5.63
or      ((resid   53 and name HD1* )) ((resid   60 and name HN   ))                    ! #SUP  1.79
assign  ((resid   20 and name HB   )) ((resid   21 and name HN   ))   4.16  2.36  0.00 ! #SUP  5.07
or      ((resid   21 and name HN   )) ((resid   25 and name HB1  ))                    ! #SUP  6.38
or      ((resid   21 and name HN   )) ((resid   26 and name HB1  ))                    ! #SUP  4.54
assign  ((resid   64 and name HN   )) ((resid   64 and name HG*  ))   3.80  2.00  0.00 ! #SUP  5.07
or      ((resid   63 and name HB1  )) ((resid   64 and name HN   ))                    ! #SUP  4.72
assign  ((resid   10 and name HN   )) ((resid   11 and name HN   ))   4.73  2.93  0.00 ! #SUP  5.26
or      ((resid   10 and name HN   )) ((resid   20 and name HN   ))                    ! #SUP  0.75
or      ((resid   10 and name HN   )) ((resid   17 and name HN   ))                    ! a la main
assign  ((resid    9 and name HA   )) ((resid   10 and name HN   ))   3.51  1.71  0.00 ! #SUP  5.23
or      ((resid   10 and name HN   )) ((resid   19 and name HA   ))                    ! #SUP  3.25
assign  ((resid   10 and name HN   )) ((resid   18 and name HG2* ))   4.98  3.18  0.00 ! #SUP  6.15
or      ((resid    8 and name HG2  )) ((resid   10 and name HN   ))                    ! #SUP  3.55
assign  ((resid   55 and name HN   )) ((resid   57 and name HA   ))   5.35  3.55  0.00 ! #SUP  4.14
or      ((resid   40 and name HA   )) ((resid   55 and name HN   ))                    ! #SUP  1.12
assign  ((resid   54 and name HG2  )) ((resid   55 and name HN   ))   4.38  2.58  0.00 ! #SUP  4.09
or      ((resid   40 and name HG2  )) ((resid   55 and name HN   ))                    ! #SUP  3.44
assign  ((resid   53 and name HD1* )) ((resid   55 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.45
or      ((resid   53 and name HG2* )) ((resid   55 and name HN   ))                    ! #SUP  1.22
assign  ((resid   19 and name HN   )) ((resid   28 and name HA   ))   4.06  2.26  0.00 ! #SUP  3.09
or      ((resid   19 and name HN   )) ((resid   26 and name HA   ))                    ! #SUP  4.21
assign  ((resid   19 and name HN   )) ((resid   27 and name HA2  ))   5.50  3.70  0.00 ! #SUP  2.17
or      ((resid   10 and name HA   )) ((resid   19 and name HN   ))                    ! #SUP  3.40
assign  ((resid   18 and name HB   )) ((resid   19 and name HN   ))   4.45  2.65  0.00 ! #SUP  4.60
or      ((resid   19 and name HN   )) ((resid   26 and name HB1  ))                    ! #SUP  4.32
assign  ((resid    1 and name HG*  )) ((resid   19 and name HN   ))   5.19  3.39  0.00 ! #SUP  3.04
or      ((resid    6 and name HG2* )) ((resid   19 and name HN   ))                    ! #SUP  3.76
assign  ((resid   19 and name HN   )) ((resid   59 and name HG2* ))   5.50  3.70  0.00 ! #SUP  0.89
or      ((resid    6 and name HG1* )) ((resid   19 and name HN   ))                    ! #SUP  3.35
or      ((resid   12 and name HD2* )) ((resid   19 and name HN   ))                    ! #SUP  1.08
!assign  ((resid   11 and name HN   )) ((resid   47 and name HN   ))   4.82  3.02  0.00 ! #SUP  5.44 diagonale
!or      ((resid   11 and name HN   )) ((resid   46 and name HN   ))                    ! #SUP  2.96 diagonale
!assign  ((resid   10 and name HB1  )) ((resid   11 and name HN   ))   3.33  1.53  0.00 ! #SUP  5.76
!or      ((resid   11 and name HN   )) ((resid   11 and name HB1  ))                    ! #SUP  3.89
assign  ((resid   11 and name HN   )) ((resid   18 and name HG2* ))   5.50  3.70  0.00 ! #SUP  3.97
or      ((resid   11 and name HN   )) ((resid   12 and name HD1* ))                    ! #SUP  3.74
or      ((resid    8 and name HG2  )) ((resid   11 and name HN   ))                    ! #SUP  0.91
assign  ((resid   39 and name HD2  )) ((resid   40 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.13
or      ((resid   40 and name HN   )) ((resid   41 and name HA2  ))                    ! #SUP  3.69
assign  ((resid    3 and name HN   )) ((resid    4 and name HN   ))   3.60  1.80  0.00 ! #SUP  8.05
or      ((resid    2 and name HN   )) ((resid    3 and name HN   ))                    ! #SUP  5.35
assign  ((resid    3 and name HN   )) ((resid    3 and name HB1  ))   3.28  1.48  0.00 ! #SUP  6.01
or      ((resid    3 and name HN   )) ((resid    6 and name HB   ))                    ! #SUP  3.67
assign  ((resid    1 and name HG*  )) ((resid    3 and name HN   ))   4.69  2.89  0.00 ! #SUP  3.65
or      ((resid    3 and name HN   )) ((resid    6 and name HG2* ))                    ! #SUP  3.95
assign  ((resid   18 and name HA   )) ((resid   29 and name HN   ))   4.03  2.23  0.00 ! #SUP  4.37
or      ((resid   16 and name HA   )) ((resid   29 and name HN   ))                    ! #SUP  2.26
assign  ((resid   28 and name HG1  )) ((resid   29 and name HN   ))   3.82  2.02  0.00 ! #SUP  4.43
or      ((resid   28 and name HG2  )) ((resid   29 and name HN   ))                    ! #SUP  5.12
assign  ((resid   29 and name HN   )) ((resid   36 and name HE#  ))   5.50  3.70  0.00 ! #SUP  2.10
or      ((resid   29 and name HN   )) ((resid   36 and name HB1  ))                    ! #SUP  1.04
assign  ((resid   28 and name HE#  )) ((resid   29 and name HN   ))   4.17  2.37  0.00 ! #SUP  2.92
or      ((resid   28 and name HB2  )) ((resid   29 and name HN   ))                    ! #SUP  4.66
assign  ((resid   17 and name HB2  )) ((resid   29 and name HN   ))   4.84  3.04  0.00 ! #SUP  5.55
or      ((resid   17 and name HG1  )) ((resid   29 and name HN   ))                    ! #SUP  3.91
assign  ((resid   29 and name HN   )) ((resid   30 and name HA   ))   5.34  3.54  0.00 ! #SUP  2.81
or      ((resid   29 and name HN   )) ((resid   35 and name HA   ))                    ! #SUP  1.25
assign  ((resid    7 and name HN   )) ((resid    8 and name HA   ))   5.33  3.53  0.00 ! #SUP  4.64
or      ((resid    7 and name HN   )) ((resid   20 and name HA   ))                    ! #SUP  4.96
assign  ((resid    7 and name HN   )) ((resid    7 and name HB   ))   3.96  2.16  0.00 ! #SUP  4.81
or      ((resid    7 and name HN   )) ((resid   20 and name HB   ))                    ! #SUP  6.43
or      ((resid    6 and name HB   )) ((resid    7 and name HN   ))                    ! #SUP  4.16
assign  ((resid    7 and name HN   )) ((resid   22 and name HG*  ))   5.50  3.70  0.00 ! #SUP  4.69
or      ((resid    7 and name HN   )) ((resid    8 and name HB1  ))                    ! #SUP  4.58
assign  ((resid    7 and name HN   )) ((resid   20 and name HG1* ))   5.50  3.70  0.00 ! #SUP  6.12
or      ((resid    7 and name HN   )) ((resid   20 and name HG2* ))                    ! #SUP  6.07
assign  ((resid    7 and name HN   )) ((resid    7 and name HG2* ))   3.87  2.07  0.00 ! #SUP  5.30
or      ((resid    6 and name HG2* )) ((resid    7 and name HN   ))                    ! #SUP  5.68
assign  ((resid   11 and name HN   )) ((resid   12 and name HN   ))   4.69  2.89  0.00 ! #SUP  6.45
or      ((resid   12 and name HN   )) ((resid   17 and name HN   ))                    ! #SUP 10.00
assign  ((resid   12 and name HN   )) ((resid   16 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.86
or      ((resid   12 and name HN   )) ((resid   13 and name HA   ))                    ! #SUP  4.41
assign  ((resid   11 and name HB2  )) ((resid   12 and name HN   ))   4.51  2.71  0.00 ! #SUP  4.74
or      ((resid   10 and name HB2  )) ((resid   12 and name HN   ))                    ! #SUP  3.51
assign  ((resid   12 and name HN   )) ((resid   17 and name HG1  ))   5.09  3.29  0.00 ! #SUP  4.21
or      ((resid   12 and name HN   )) ((resid   17 and name HB2  ))                    ! #SUP  4.69
assign  ((resid   12 and name HN   )) ((resid   46 and name HG2* ))   5.50  3.70  0.00 ! #SUP  4.01
or      ((resid   12 and name HN   )) ((resid   17 and name HB1  ))                    ! #SUP  4.81
assign  ((resid   68 and name HN   )) ((resid   68 and name HA   ))   2.80  1.00  0.00 ! #SUP  6.21
or      ((resid   67 and name HA   )) ((resid   68 and name HN   ))                    ! #SUP  5.21
assign  ((resid   68 and name HN   )) ((resid   68 and name HB1  ))   3.16  1.36  0.00 ! #SUP  5.55
or      ((resid   67 and name HB1  )) ((resid   68 and name HN   ))                    ! #SUP  6.00
assign  ((resid   67 and name HG2  )) ((resid   68 and name HN   ))   4.21  2.41  0.00 ! #SUP  5.50
or      ((resid   68 and name HN   )) ((resid   68 and name HD*  ))                    ! #SUP  4.78
assign  ((resid   68 and name HN   )) ((resid   68 and name HG2  ))   4.12  2.32  0.00 ! #SUP  5.85
or      ((resid   68 and name HN   )) ((resid   68 and name HG1  ))                    ! #SUP  6.92
assign  ((resid   45 and name HN   )) ((resid   52 and name HN   ))   5.28  3.48  0.00 ! #SUP  5.90
or      ((resid   45 and name HN   )) ((resid   46 and name HN   ))                    ! #SUP  4.60
assign  ((resid   12 and name HD2* )) ((resid   45 and name HN   ))   5.19  3.39  0.00 ! #SUP  5.11
or      ((resid   45 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  3.60
or      ((resid   45 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  3.60
assign  ((resid   46 and name HG2* )) ((resid   51 and name HN   ))   4.47  2.67  0.00 ! #SUP  2.60
or      ((resid   51 and name HN   )) ((resid   52 and name HG12 ))                    ! #SUP  5.39
assign  ((resid   51 and name HN   )) ((resid   52 and name HG2* ))   4.67  2.87  0.00 ! #SUP  7.27
or      ((resid   51 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  7.27
assign  ((resid    9 and name HN   )) ((resid   20 and name HB   ))   5.46  3.66  0.00 ! #SUP  1.34
or      ((resid    9 and name HN   )) ((resid   18 and name HB   ))                    ! #SUP  2.55
or      ((resid    7 and name HB   )) ((resid    9 and name HN   ))                    ! #SUP  2.87
or      ((resid    6 and name HB   )) ((resid    9 and name HN   ))                    ! #SUP  0.92
assign  ((resid    9 and name HN   )) ((resid    9 and name HG2* ))   4.20  2.40  0.00 ! #SUP  5.19
or      ((resid    9 and name HN   )) ((resid   20 and name HG2* ))                    ! #SUP  3.64
assign  ((resid    8 and name HG2  )) ((resid    9 and name HN   ))   3.53  1.73  0.00 ! #SUP  8.46
or      ((resid    8 and name HG1  )) ((resid    9 and name HN   ))                    ! #SUP  8.25
assign  ((resid    6 and name HG2* )) ((resid    9 and name HN   ))   4.79  2.99  0.00 ! #SUP  2.28
or      ((resid    7 and name HG2* )) ((resid    9 and name HN   ))                    ! #SUP  3.39
assign  ((resid    4 and name HA   )) ((resid    6 and name HN   ))   4.13  2.33  0.00 ! #SUP  4.15
or      ((resid    6 and name HN   )) ((resid    7 and name HA   ))                    ! #SUP  3.32
assign  ((resid    6 and name HN   )) ((resid    6 and name HG2* ))   3.87  2.07  0.00 ! #SUP  6.53
or      ((resid    1 and name HG*  )) ((resid    6 and name HN   ))                    ! #SUP  2.42
assign  ((resid   61 and name HN   )) ((resid   61 and name HD1  ))   5.50  3.70  0.00 ! #SUP  5.82
or      ((resid   61 and name HN   )) ((resid   61 and name HD2  ))                    ! #SUP  4.93
assign  ((resid   61 and name HN   )) ((resid   63 and name HB2  ))   4.66  2.86  0.00 ! #SUP  4.81
or      ((resid   60 and name HB2  )) ((resid   61 and name HN   ))                    ! #SUP  5.40
!assign  ((resid   52 and name HG2* )) ((resid   61 and name HN   ))   5.27  3.47  0.00 ! #SUP  6.66
!or      ((resid   52 and name HG2* )) ((resid   61 and name HN   ))                    ! #SUP  6.66
!or      ((resid   59 and name HG2* )) ((resid   61 and name HN   ))                    ! #SUP  1.63
or      ((resid   61 and name HN   )) ((resid   62 and name HD1* ))                    ! #SUP  6.97
assign  ((resid   61 and name HN   )) ((resid   61 and name HG1  ))   4.73  2.93  0.00 ! #SUP  5.92
or      ((resid   61 and name HN   )) ((resid   62 and name HB2  ))                    ! #SUP  6.60
assign  ((resid   11 and name HB2  )) ((resid   47 and name HN   ))   4.92  3.12  0.00 ! #SUP  6.65
or      ((resid   47 and name HN   )) ((resid   48 and name HB1  ))                    ! #SUP  5.20
assign  ((resid   47 and name HN   )) ((resid   48 and name HA   ))   5.50  3.70  0.00 ! #SUP  4.82
or      ((resid   10 and name HA   )) ((resid   47 and name HN   ))                    ! #SUP  2.88
assign  ((resid   19 and name HN   )) ((resid   20 and name HN   ))   4.91  3.11  0.00 ! #SUP  6.52
or      ((resid   20 and name HN   )) ((resid   21 and name HN   ))                    ! #SUP  4.95
assign  ((resid   19 and name HA   )) ((resid   20 and name HN   ))   3.32  1.52  0.00 ! #SUP  5.93
or      ((resid    9 and name HA   )) ((resid   20 and name HN   ))                    ! #SUP  4.48
assign  ((resid   18 and name HG2* )) ((resid   20 and name HN   ))   4.75  2.95  0.00 ! #SUP  3.75
or      ((resid    8 and name HG2  )) ((resid   20 and name HN   ))                    ! #SUP  2.10
or      ((resid    7 and name HG1* )) ((resid   20 and name HN   ))                    ! #SUP  1.64
assign  ((resid    6 and name HG2* )) ((resid   20 and name HN   ))   4.23  2.43  0.00 ! #SUP  5.49
or      ((resid    1 and name HG*  )) ((resid   20 and name HN   ))                    ! #SUP  3.05
or      ((resid    7 and name HG2* )) ((resid   20 and name HN   ))                    ! #SUP  5.10
assign  ((resid    6 and name HG1* )) ((resid   20 and name HN   ))   5.40  3.60  0.00 ! #SUP  3.48
or      ((resid   20 and name HN   )) ((resid   59 and name HG2* ))                    ! #SUP  1.60
assign  ((resid   28 and name HN   )) ((resid   29 and name HN   ))   4.06  2.26  0.00 ! #SUP  3.98
or      ((resid   27 and name HN   )) ((resid   28 and name HN   ))                    ! #SUP  3.75
assign  ((resid   28 and name HN   )) ((resid   36 and name HN   ))   5.50  3.70  0.00 ! #SUP  0.47
or      ((resid   26 and name HN   )) ((resid   28 and name HN   ))                    ! #SUP  1.52
assign  ((resid   28 and name HN   )) ((resid   28 and name HG2  ))   4.71  2.91  0.00 ! #SUP  4.85
or      ((resid   28 and name HN   )) ((resid   28 and name HG1  ))                    ! #SUP  5.67
assign  ((resid   13 and name HN   )) ((resid   13 and name HB2  ))   3.63  1.83  0.00 ! #SUP  4.90
or      ((resid   12 and name HB2  )) ((resid   13 and name HN   ))                    ! #SUP  6.18
assign  ((resid   30 and name HN   )) ((resid   36 and name HN   ))   4.61  2.81  0.00 ! #SUP  4.04
or      ((resid   36 and name HN   )) ((resid   38 and name HN   ))                    ! #SUP  1.89
assign  ((resid   36 and name HN   )) ((resid   36 and name HB1  ))   4.19  2.39  0.00 ! #SUP  4.79
or      ((resid   36 and name HN   )) ((resid   36 and name HE#  ))                    ! #SUP  3.69
assign  ((resid   40 and name HA   )) ((resid   56 and name HN   ))   5.12  3.32  0.00 ! #SUP  3.62
or      ((resid   56 and name HN   )) ((resid   57 and name HA   ))                    ! #SUP  4.16
assign  ((resid   55 and name HE*  )) ((resid   56 and name HN   ))   5.25  3.45  0.00 ! #SUP  7.01
or      ((resid   56 and name HN   )) ((resid   57 and name HB2  ))                    ! #SUP  3.78
assign  ((resid   54 and name HE#  )) ((resid   56 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.59
or      ((resid   40 and name HB2  )) ((resid   56 and name HN   ))                    ! #SUP  2.23
assign  ((resid    8 and name HN   )) ((resid    9 and name HA   ))   4.90  3.10  0.00 ! #SUP  3.40
or      ((resid    8 and name HN   )) ((resid   19 and name HA   ))                    ! #SUP  2.44
assign  ((resid    8 and name HN   )) ((resid   20 and name HB   ))   3.57  1.77  0.00 ! #SUP  7.23
or      ((resid    7 and name HB   )) ((resid    8 and name HN   ))                    ! #SUP  6.23
assign  ((resid    8 and name HN   )) ((resid   20 and name HG2* ))   4.61  2.81  0.00 ! #SUP  6.64
or      ((resid    8 and name HN   )) ((resid   20 and name HG1* ))                    ! #SUP  4.54
assign  ((resid    7 and name HG1* )) ((resid    8 and name HN   ))   4.13  2.33  0.00 ! #SUP  5.74
or      ((resid    8 and name HN   )) ((resid    8 and name HG2  ))                    ! #SUP  7.51
or      ((resid    8 and name HN   )) ((resid    8 and name HG1  ))                    ! #SUP  6.76
assign  ((resid    6 and name HG2* )) ((resid    8 and name HN   ))   3.57  1.77  0.00 ! #SUP  5.77
or      ((resid    7 and name HG2* )) ((resid    8 and name HN   ))                    ! #SUP  6.37
assign  ((resid   21 and name HB1  )) ((resid   22 and name HN   ))   3.92  2.12  0.00 ! #SUP  6.23
or      ((resid    5 and name HB2  )) ((resid   22 and name HN   ))                    ! #SUP  4.59
assign  ((resid    7 and name HG2* )) ((resid   22 and name HN   ))   4.58  2.78  0.00 ! #SUP  6.38
or      ((resid    6 and name HG2* )) ((resid   22 and name HN   ))                    ! #SUP  6.40
assign  ((resid   64 and name HA   )) ((resid   67 and name HN   ))   3.95  2.15  0.00 ! #SUP  2.74
or      ((resid   65 and name HA   )) ((resid   67 and name HN   ))                    ! #SUP  1.68
assign  ((resid   66 and name HB*  )) ((resid   67 and name HN   ))   3.50  1.70  0.00 ! #SUP  4.90
or      ((resid   67 and name HN   )) ((resid   67 and name HG2  ))                    ! #SUP  6.81
!assign  ((resid   17 and name HN   )) ((resid   18 and name HN   ))   5.29  3.49  0.00 ! #SUP  6.05 unambiguous on 11HN
!or      ((resid   11 and name HN   )) ((resid   18 and name HN   ))                    ! #SUP  7.61 not sure ??
assign  ((resid    9 and name HA   )) ((resid   18 and name HN   ))   5.09  3.29  0.00 ! #SUP  4.76
or      ((resid   18 and name HN   )) ((resid   19 and name HA   ))                    ! #SUP  3.47
assign  ((resid   17 and name HB2  )) ((resid   18 and name HN   ))   4.24  2.44  0.00 ! #SUP  5.95
or      ((resid   17 and name HG1  )) ((resid   18 and name HN   ))                    ! #SUP  6.48
assign  ((resid   42 and name HN   )) ((resid   42 and name HB1  ))   3.66  1.86  0.00 ! #SUP  5.23
or      ((resid   42 and name HN   )) ((resid   42 and name HB2  ))                    ! #SUP  6.65
assign  ((resid   30 and name HA   )) ((resid   34 and name HN   ))   5.15  3.35  0.00 ! #SUP  3.71
or      ((resid   34 and name HN   )) ((resid   35 and name HA   ))                    ! #SUP  3.11
assign  ((resid   30 and name HB2  )) ((resid   34 and name HN   ))   4.31  2.51  0.00 ! #SUP  6.01
or      ((resid   32 and name HB2  )) ((resid   34 and name HN   ))                    ! #SUP  5.46
assign  ((resid   34 and name HN   )) ((resid   34 and name HB2  ))   3.35  1.55  0.00 ! #SUP  7.41
or      ((resid   29 and name HB1  )) ((resid   34 and name HN   ))                    ! #SUP  5.95
assign  ((resid   31 and name HB1  )) ((resid   34 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.56
or      ((resid   17 and name HG1  )) ((resid   34 and name HN   ))                    ! #SUP  0.24
or      ((resid   17 and name HB2  )) ((resid   34 and name HN   ))                    ! #SUP  0.30
assign  ((resid   58 and name HG1  )) ((resid   59 and name HN   ))   5.04  3.24  0.00 ! #SUP  4.78
or      ((resid   54 and name HE#  )) ((resid   59 and name HN   ))                    ! #SUP  0.75
assign  ((resid   20 and name HG2* )) ((resid   59 and name HN   ))   4.81  3.01  0.00 ! #SUP  2.82
or      ((resid   20 and name HG1* )) ((resid   59 and name HN   ))                    ! #SUP  1.93
assign  ((resid   30 and name HN   )) ((resid   36 and name HN   ))   4.61  2.81  0.00 ! #SUP  4.04
or      ((resid   30 and name HN   )) ((resid   31 and name HN   ))                    ! #SUP  7.66
assign  ((resid   30 and name HN   )) ((resid   31 and name HA   ))   4.50  2.70  0.00 ! #SUP  4.44
or      ((resid   30 and name HN   )) ((resid   35 and name HB*  ))                    ! #SUP  3.21
or      ((resid   30 and name HN   )) ((resid   33 and name HA1  ))                    ! #SUP  2.37
assign  ((resid   30 and name HN   )) ((resid   36 and name HE#  ))   5.31  3.51  0.00 ! #SUP  3.80
or      ((resid   30 and name HN   )) ((resid   36 and name HB1  ))                    ! #SUP  2.66
assign  ((resid   29 and name HB1  )) ((resid   30 and name HN   ))   3.63  1.83  0.00 ! #SUP  4.22
or      ((resid   30 and name HN   )) ((resid   34 and name HB2  ))                    ! #SUP  4.44
assign  ((resid   30 and name HN   )) ((resid   34 and name HG1  ))   5.50  3.70  0.00 ! #SUP  3.55
or      ((resid   30 and name HN   )) ((resid   31 and name HD2  ))                    ! #SUP  4.94
or      ((resid   30 and name HN   )) ((resid   31 and name HD1  ))                    ! #SUP  4.74
assign  ((resid   36 and name HB1  )) ((resid   37 and name HN   ))   3.68  1.88  0.00 ! #SUP  4.62
or      ((resid   36 and name HE#  )) ((resid   37 and name HN   ))                    ! #SUP  3.90
assign  ((resid   17 and name HN   )) ((resid   30 and name HA   ))   4.34  2.54  0.00 ! #SUP  0.57
or      ((resid   11 and name HA   )) ((resid   17 and name HN   ))                    ! #SUP  4.17
assign  ((resid   17 and name HN   )) ((resid   17 and name HE1  ))   5.48  3.68  0.00 ! #SUP  8.29
or      ((resid   17 and name HN   )) ((resid   17 and name HE2  ))                    ! #SUP  6.68
assign  ((resid   17 and name HN   )) ((resid   28 and name HG1  ))   5.34  3.54  0.00 ! #SUP  5.28
or      ((resid   17 and name HN   )) ((resid   28 and name HG2  ))                    ! #SUP  5.01
assign  ((resid   17 and name HN   )) ((resid   28 and name HE#  ))   4.73  2.93  0.00 ! #SUP  3.08
or      ((resid   12 and name HB2  )) ((resid   17 and name HN   ))                    ! #SUP  4.44
or      ((resid   17 and name HN   )) ((resid   28 and name HB2  ))                    ! #SUP  3.30
assign  ((resid   17 and name HN   )) ((resid   29 and name HB1  ))   5.50  3.70  0.00 ! #SUP  4.14
or      ((resid   17 and name HN   )) ((resid   29 and name HB2  ))                    ! #SUP  5.37
assign  ((resid   17 and name HN   )) ((resid   17 and name HG1  ))   3.76  1.96  0.00 ! #SUP  8.97
or      ((resid   17 and name HN   )) ((resid   17 and name HB2  ))                    ! #SUP  8.02
assign  ((resid   12 and name HD1* )) ((resid   17 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.38
or      ((resid   17 and name HN   )) ((resid   18 and name HG2* ))                    ! #SUP  3.64
assign  ((resid   70 and name HN   )) ((resid   71 and name HN   ))   4.10  2.30  0.00 ! #SUP  2.74
or      ((resid   69 and name HN   )) ((resid   70 and name HN   ))                    ! #SUP  1.60
assign  ((resid    5 and name HN   )) ((resid    6 and name HB   ))   4.00  2.20  0.00 ! #SUP  6.12
or      ((resid    3 and name HB1  )) ((resid    5 and name HN   ))                    ! #SUP  3.35
assign  ((resid    5 and name HN   )) ((resid    6 and name HG2* ))   5.04  3.24  0.00 ! #SUP  6.24
or      ((resid    1 and name HG*  )) ((resid    5 and name HN   ))                    ! #SUP  2.95
assign  ((resid   32 and name HN   )) ((resid   32 and name HB2  ))   3.51  1.71  0.00 ! #SUP  7.73
or      ((resid   30 and name HB2  )) ((resid   32 and name HN   ))                    ! #SUP  7.32
assign  ((resid   31 and name HD2  )) ((resid   32 and name HN   ))   5.08  3.28  0.00 ! #SUP  9.43
or      ((resid   31 and name HD1  )) ((resid   32 and name HN   ))                    ! #SUP  9.47
or      ((resid   32 and name HN   )) ((resid   34 and name HG1  ))                    ! #SUP  4.04
assign  ((resid   64 and name HN   )) ((resid   66 and name HN   ))   4.91  3.11  0.00 ! #SUP  3.81
or      ((resid   63 and name HN   )) ((resid   66 and name HN   ))                    ! #SUP  2.12
assign  ((resid   65 and name HA   )) ((resid   66 and name HN   ))   3.45  1.65  0.00 ! #SUP  4.32
or      ((resid   64 and name HA   )) ((resid   66 and name HN   ))                    ! #SUP  5.24
assign  ((resid   64 and name HG*  )) ((resid   66 and name HN   ))   5.21  3.41  0.00 ! #SUP  3.17
or      ((resid   63 and name HB1  )) ((resid   66 and name HN   ))                    ! #SUP  2.23
assign  ((resid   52 and name HG11 )) ((resid   53 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.07
or      ((resid   43 and name HG1* )) ((resid   53 and name HN   ))                    ! #SUP  1.08
assign  ((resid   52 and name HG2* )) ((resid   53 and name HN   ))   4.35  2.55  0.00 ! #SUP  6.07
or      ((resid   52 and name HG2* )) ((resid   53 and name HN   ))                    ! #SUP  6.07
or      ((resid   53 and name HN   )) ((resid   59 and name HG2* ))                    ! #SUP  4.06
assign  ((resid    4 and name HN   )) ((resid    5 and name HB1  ))   4.53  2.73  0.00 ! #SUP  5.20
or      ((resid    3 and name HG2  )) ((resid    4 and name HN   ))                    ! #SUP  6.57
assign  ((resid    3 and name HB1  )) ((resid    4 and name HN   ))   3.93  2.13  0.00 ! #SUP  5.91
or      ((resid    4 and name HN   )) ((resid    6 and name HB   ))                    ! #SUP  5.60
assign  ((resid    1 and name HG*  )) ((resid    4 and name HN   ))   5.31  3.51  0.00 ! #SUP  3.52
or      ((resid    4 and name HN   )) ((resid    6 and name HG2* ))                    ! #SUP  5.84
assign  ((resid   31 and name HN   )) ((resid   31 and name HD2  ))   4.42  2.62  0.00 ! #SUP  9.21
or      ((resid   31 and name HN   )) ((resid   31 and name HD1  ))                    ! #SUP  9.16
assign  ((resid   12 and name HB1  )) ((resid   16 and name HN   ))   4.37  2.57  0.00 ! #SUP  6.83
or      ((resid   16 and name HN   )) ((resid   31 and name HB2  ))                    ! #SUP  2.96
assign  ((resid   16 and name HN   )) ((resid   31 and name HB1  ))   5.26  3.46  0.00 ! #SUP  1.50
or      ((resid   16 and name HN   )) ((resid   17 and name HG1  ))                    ! #SUP  4.33
or      ((resid   16 and name HN   )) ((resid   17 and name HB2  ))                    ! #SUP  4.59
assign  ((resid   26 and name HN   )) ((resid   26 and name HG1  ))   3.76  1.96  0.00 ! #SUP  5.58
or      ((resid   26 and name HN   )) ((resid   26 and name HG2  ))                    ! #SUP  4.03
assign  ((resid   25 and name HB1  )) ((resid   26 and name HN   ))   3.06  1.26  0.00 ! #SUP  4.68
or      ((resid   26 and name HN   )) ((resid   26 and name HB1  ))                    ! #SUP  6.01
assign  ((resid   20 and name HG1* )) ((resid   26 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.55
or      ((resid   20 and name HG2* )) ((resid   26 and name HN   ))                    ! #SUP  5.86
assign  ((resid   45 and name HA   )) ((resid   50 and name HN   ))   4.92  3.12  0.00 ! #SUP  2.36
or      ((resid   46 and name HA   )) ((resid   50 and name HN   ))                    ! #SUP  1.67
assign  ((resid   45 and name HN   )) ((resid   46 and name HN   ))   5.49  3.69  0.00 ! #SUP  4.60
or      ((resid   12 and name HN   )) ((resid   46 and name HN   ))                    ! #SUP  3.40
assign  ((resid   46 and name HN   )) ((resid   50 and name HA   ))   4.74  2.94  0.00 ! #SUP  2.72
or      ((resid   12 and name HA   )) ((resid   46 and name HN   ))                    ! #SUP  1.04
assign  ((resid   46 and name HN   )) ((resid   50 and name HB   ))   5.50  3.70  0.00 ! #SUP  2.30
or      ((resid   46 and name HN   )) ((resid   47 and name HA   ))                    ! #SUP  2.11
assign  ((resid   12 and name HD2* )) ((resid   46 and name HN   ))   5.18  3.38  0.00 ! #SUP  3.57
or      ((resid   46 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  2.71
or      ((resid   46 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  2.71
assign  ((resid   58 and name HN   )) ((resid   58 and name HG1  ))   4.31  2.51  0.00 ! #SUP  6.06
or      ((resid   54 and name HE#  )) ((resid   58 and name HN   ))                    ! #SUP  3.76
assign  ((resid   12 and name HB2  )) ((resid   14 and name HN   ))   3.50  1.70  0.00 ! #SUP  7.45
or      ((resid   13 and name HB2  )) ((resid   14 and name HN   ))                    ! #SUP  8.03
assign  ((resid   51 and name HB2  )) ((resid   52 and name HN   ))   4.33  2.53  0.00 ! #SUP  6.95
or      ((resid   44 and name HB2  )) ((resid   52 and name HN   ))                    ! #SUP  5.76
or      ((resid   43 and name HB   )) ((resid   52 and name HN   ))                    ! #SUP  3.51
assign  ((resid   51 and name HB1  )) ((resid   52 and name HN   ))   4.26  2.46  0.00 ! #SUP  6.17
or      ((resid   44 and name HB1  )) ((resid   52 and name HN   ))                    ! #SUP  7.79
assign  ((resid   52 and name HN   )) ((resid   52 and name HG12 ))   4.17  2.37  0.00 ! #SUP  7.52
or      ((resid   46 and name HG2* )) ((resid   52 and name HN   ))                    ! #SUP  3.97
assign  ((resid   52 and name HN   )) ((resid   52 and name HG11 ))   4.37  2.57  0.00 ! #SUP  6.96
or      ((resid   43 and name HG1* )) ((resid   52 and name HN   ))                    ! #SUP  4.69
assign  ((resid   52 and name HN   )) ((resid   52 and name HG2* ))   4.78  2.98  0.00 ! #SUP  8.39
or      ((resid   52 and name HN   )) ((resid   52 and name HG2* ))                    ! #SUP  8.39
assign  ((resid   48 and name HN   )) ((resid   49 and name HA1  ))   4.74  2.94  0.00 ! #SUP  3.82
or      ((resid   13 and name HA   )) ((resid   48 and name HN   ))                    ! #SUP  3.00
assign  ((resid   48 and name HN   )) ((resid   48 and name HB1  ))   3.88  2.08  0.00 ! #SUP  5.60
or      ((resid   11 and name HB2  )) ((resid   48 and name HN   ))                    ! #SUP  3.04
assign  ((resid   55 and name HA   )) ((resid   57 and name HN   ))   4.69  2.89  0.00 ! #SUP  4.55
or      ((resid   57 and name HN   )) ((resid   58 and name HA   ))                    ! #SUP  4.98
assign  ((resid   54 and name HE#  )) ((resid   57 and name HN   ))   5.09  3.29  0.00 ! #SUP  4.59
or      ((resid   57 and name HN   )) ((resid   58 and name HG1  ))                    ! #SUP  4.95
assign  ((resid   41 and name HN   )) ((resid   42 and name HA   ))   5.34  3.54  0.00 ! #SUP  3.65
or      ((resid   41 and name HN   )) ((resid   55 and name HA   ))                    ! #SUP  2.13
assign  ((resid   30 and name HD2* )) ((resid   34 and name HD*  ))   5.50  3.70  0.00 ! #SUP  3.23
or      ((resid   30 and name HD2* )) ((resid   31 and name HB2  ))                    ! #SUP  6.50
assign  ((resid   19 and name HB2  )) ((resid   27 and name HN   ))   4.13  2.33  0.00 ! #SUP  2.62
or      ((resid   26 and name HG1  )) ((resid   27 and name HN   ))                    ! #SUP  4.37
assign  ((resid   26 and name HB1  )) ((resid   27 and name HN   ))   3.54  1.74  0.00 ! #SUP  5.25
or      ((resid   26 and name HB2  )) ((resid   27 and name HN   ))                    ! #SUP  3.83
assign  ((resid   20 and name HG2* )) ((resid   27 and name HN   ))   5.29  3.49  0.00 ! #SUP  7.08
or      ((resid   20 and name HG1* )) ((resid   27 and name HN   ))                    ! #SUP  5.41
assign  ((resid    7 and name HG2* )) ((resid   24 and name HN   ))   5.45  3.65  0.00 ! #SUP  2.00
or      ((resid   31 and name HG2  )) ((resid   33 and name HN   ))                    ! #SUP  4.02
assign  ((resid   32 and name HB2  )) ((resid   33 and name HN   ))   4.37  2.57  0.00 ! #SUP  6.89
or      ((resid   30 and name HB2  )) ((resid   33 and name HN   ))                    ! #SUP  5.97
assign  ((resid   22 and name HB*  )) ((resid   24 and name HN   ))   4.36  2.56  0.00 ! #SUP  4.18
or      ((resid   29 and name HB1  )) ((resid   33 and name HN   ))                    ! #SUP  3.98
or      ((resid   33 and name HN   )) ((resid   34 and name HB2  ))                    ! #SUP  3.78
assign  ((resid   33 and name HN   )) ((resid   34 and name HG1  ))   4.99  3.19  0.00 ! #SUP  5.06
or      ((resid   22 and name HG*  )) ((resid   24 and name HN   ))                    ! #SUP  4.31
assign  ((resid   13 and name HA   )) ((resid   15 and name HN   ))   4.38  2.58  0.00 ! #SUP  2.91
or      ((resid   15 and name HN   )) ((resid   16 and name HB1  ))                    ! #SUP  2.05
assign  ((resid   47 and name HA   )) ((resid   49 and name HN   ))   4.54  2.74  0.00 ! #SUP  3.80
or      ((resid   49 and name HN   )) ((resid   50 and name HB   ))                    ! #SUP  3.62
assign  ((resid   47 and name HN   )) ((resid   49 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.74
or      ((resid   46 and name HN   )) ((resid   49 and name HN   ))                    ! #SUP  5.94
set message=off echo=off end
restraints dihedral reset
!!
  !!K-8
 assign (resid 7 and name c)   (resid 8 and name n)
        (resid 8 and name ca)   (resid 8 and name c)  1.0 -137.0   30.0   2
 assign (resid 8 and name n)   (resid 8 and name ca)
        (resid 8 and name c)   (resid 9 and name n)  1.0  136.0   30.0   2
  !!T-9
 assign (resid 8 and name c)   (resid 9 and name n)
        (resid 9 and name ca)   (resid 9 and name c)  1.0 -124.0   30.0   2
 assign (resid 9 and name n)   (resid 9 and name ca)
        (resid 9 and name c)   (resid 10 and name n)  1.0  134.0   30.0   2
  !!Y-10
 assign (resid 9 and name c)   (resid 10 and name n)
        (resid 10 and name ca)   (resid 10 and name c)  1.0 -110.0   30.0   2
 assign (resid 10 and name n)   (resid 10 and name ca)
        (resid 10 and name c)   (resid 11 and name n)  1.0  123.0   30.0   2
  !!K-17
 assign (resid 16 and name c)   (resid 17 and name n)
        (resid 17 and name ca)   (resid 17 and name c)  1.0 -135.0   30.0   2
 assign (resid 17 and name n)   (resid 17 and name ca)
        (resid 17 and name c)   (resid 18 and name n)  1.0  158.0   30.0   2
  !!V-18
 assign (resid 17 and name c)   (resid 18 and name n)
        (resid 18 and name ca)   (resid 18 and name c)  1.0 -120.0   30.0   2
 assign (resid 18 and name n)   (resid 18 and name ca)
        (resid 18 and name c)   (resid 19 and name n)  1.0  131.0   30.0   2
  !!H-19
 assign (resid 18 and name c)   (resid 19 and name n)
        (resid 19 and name ca)   (resid 19 and name c)  1.0 -113.0   30.0   2
 assign (resid 19 and name n)   (resid 19 and name ca)
        (resid 19 and name c)   (resid 20 and name n)  1.0  134.0   30.0   2
  !!V-20
 assign (resid 19 and name c)   (resid 20 and name n)
        (resid 20 and name ca)   (resid 20 and name c)  1.0 -109.0   30.0   2
 assign (resid 20 and name n)   (resid 20 and name ca)
        (resid 20 and name c)   (resid 21 and name n)  1.0  120.0   30.0   2
  !!F-21
 assign (resid 20 and name c)   (resid 21 and name n)
        (resid 21 and name ca)   (resid 21 and name c)  1.0  -80.0   30.0   2
 assign (resid 21 and name n)   (resid 21 and name ca)
        (resid 21 and name c)   (resid 22 and name n)  1.0  156.0   30.0   2
  !!K-22
 assign (resid 21 and name c)   (resid 22 and name n)
        (resid 22 and name ca)   (resid 22 and name c)  1.0  -63.0   30.0   2
 assign (resid 22 and name n)   (resid 22 and name ca)
        (resid 22 and name c)   (resid 23 and name n)  1.0  -21.0   30.0   2
  !!M-26
 assign (resid 25 and name c)   (resid 26 and name n)
        (resid 26 and name ca)   (resid 26 and name c)  1.0 -125.0   30.0   2
 assign (resid 26 and name n)   (resid 26 and name ca)
        (resid 26 and name c)   (resid 27 and name n)  1.0  153.0   30.0   2
  !!M-28
 assign (resid 27 and name c)   (resid 28 and name n)
        (resid 28 and name ca)   (resid 28 and name c)  1.0 -119.0   30.0   2
 assign (resid 28 and name n)   (resid 28 and name ca)
        (resid 28 and name c)   (resid 29 and name n)  1.0  133.0   30.0   2
  !!E-29
 assign (resid 28 and name c)   (resid 29 and name n)
        (resid 29 and name ca)   (resid 29 and name c)  1.0 -131.0   30.0   2
 assign (resid 29 and name n)   (resid 29 and name ca)
        (resid 29 and name c)   (resid 30 and name n)  1.0  144.0   30.0   2
  !!N-30
 assign (resid 29 and name c)   (resid 30 and name n)
        (resid 30 and name ca)   (resid 30 and name c)  1.0  -84.0   30.0   2
 assign (resid 30 and name n)   (resid 30 and name ca)
        (resid 30 and name c)   (resid 31 and name n)  1.0  159.0   30.0   2
  !!K-31
 assign (resid 30 and name c)   (resid 31 and name n)
        (resid 31 and name ca)   (resid 31 and name c)  1.0  -62.0   30.0   2
 assign (resid 31 and name n)   (resid 31 and name ca)
        (resid 31 and name c)   (resid 32 and name n)  1.0  -25.0   30.0   2
  !!K-42
 assign (resid 41 and name c)   (resid 42 and name n)
        (resid 42 and name ca)   (resid 42 and name c)  1.0 -101.0   30.0   2
 assign (resid 42 and name n)   (resid 42 and name ca)
        (resid 42 and name c)   (resid 43 and name n)  1.0  133.0   30.0   2
  !!V-43
 assign (resid 42 and name c)   (resid 43 and name n)
        (resid 43 and name ca)   (resid 43 and name c)  1.0  -84.0   30.0   2
 assign (resid 43 and name n)   (resid 43 and name ca)
        (resid 43 and name c)   (resid 44 and name n)  1.0  129.0   30.0   2
  !!M-44
 assign (resid 43 and name c)   (resid 44 and name n)
        (resid 44 and name ca)   (resid 44 and name c)  1.0 -111.0   30.0   2
 assign (resid 44 and name n)   (resid 44 and name ca)
        (resid 44 and name c)   (resid 45 and name n)  1.0  144.0   30.0   2
  !!E-45
 assign (resid 44 and name c)   (resid 45 and name n)
        (resid 45 and name ca)   (resid 45 and name c)  1.0 -102.0   30.0   2
 assign (resid 45 and name n)   (resid 45 and name ca)
        (resid 45 and name c)   (resid 46 and name n)  1.0  138.0   30.0   2
  !!T-46
 assign (resid 45 and name c)   (resid 46 and name n)
        (resid 46 and name ca)   (resid 46 and name c)  1.0  -97.0   30.0   2
 assign (resid 46 and name n)   (resid 46 and name ca)
        (resid 46 and name c)   (resid 47 and name n)  1.0  171.0   30.0   2
  !!R-47
 assign (resid 46 and name c)   (resid 47 and name n)
        (resid 47 and name ca)   (resid 47 and name c)  1.0  -64.0   30.0   2
 assign (resid 47 and name n)   (resid 47 and name ca)
        (resid 47 and name c)   (resid 48 and name n)  1.0  -19.0   30.0   2
  !!T-50
 assign (resid 49 and name c)   (resid 50 and name n)
        (resid 50 and name ca)   (resid 50 and name c)  1.0  -94.0   30.0   2
 assign (resid 50 and name n)   (resid 50 and name ca)
        (resid 50 and name c)   (resid 51 and name n)  1.0  145.0   30.0   2
  !!K-51
 assign (resid 50 and name c)   (resid 51 and name n)
        (resid 51 and name ca)   (resid 51 and name c)  1.0 -129.0   30.0   2
 assign (resid 51 and name n)   (resid 51 and name ca)
        (resid 51 and name c)   (resid 52 and name n)  1.0  159.0   30.0   2
  !!I-52
 assign (resid 51 and name c)   (resid 52 and name n)
        (resid 52 and name ca)   (resid 52 and name c)  1.0 -146.0   30.0   2
 assign (resid 52 and name n)   (resid 52 and name ca)
        (resid 52 and name c)   (resid 53 and name n)  1.0  153.0   30.0   2
  !!I-53
 assign (resid 52 and name c)   (resid 53 and name n)
        (resid 53 and name ca)   (resid 53 and name c)  1.0 -138.0   30.0   2
 assign (resid 53 and name n)   (resid 53 and name ca)
        (resid 53 and name c)   (resid 54 and name n)  1.0  135.0   30.0   2
  !!M-54
 assign (resid 53 and name c)   (resid 54 and name n)
        (resid 54 and name ca)   (resid 54 and name c)  1.0 -119.0   30.0   2
 assign (resid 54 and name n)   (resid 54 and name ca)
        (resid 54 and name c)   (resid 55 and name n)  1.0  132.0   30.0   2
  !!K-55
 assign (resid 54 and name c)   (resid 55 and name n)
        (resid 55 and name ca)   (resid 55 and name c)  1.0 -114.0   30.0   2
 assign (resid 55 and name n)   (resid 55 and name ca)
        (resid 55 and name c)   (resid 56 and name n)  1.0  122.0   30.0   2
  !!I-59
 assign (resid 58 and name c)   (resid 59 and name n)
        (resid 59 and name ca)   (resid 59 and name c)  1.0 -113.0   30.0   2
 assign (resid 59 and name n)   (resid 59 and name ca)
        (resid 59 and name c)   (resid 60 and name n)  1.0  133.0   30.0   2
  !!F-60
 assign (resid 59 and name c)   (resid 60 and name n)
        (resid 60 and name ca)   (resid 60 and name c)  1.0 -115.0   30.0   2
 assign (resid 60 and name n)   (resid 60 and name ca)
        (resid 60 and name c)   (resid 61 and name n)  1.0  142.0   30.0   2
  !!R-61
 assign (resid 60 and name c)   (resid 61 and name n)
        (resid 61 and name ca)   (resid 61 and name c)  1.0 -126.0   30.0   2
 assign (resid 61 and name n)   (resid 61 and name ca)
        (resid 61 and name c)   (resid 62 and name n)  1.0  136.0   30.0   2
end

set message=on echo=on end

! ATNOS/CANDID version 1.1  
! Distance constraint file from ATNOS/CANDID
! File format   : cns
! File generated: 2006 May  7th,  1:51:17
!assign  ((resid    1 and name HA   )) ((resid    1 and name HG*  ))   3.66  1.86  0.00 ! #SUP  1.99
assign  ((resid    1 and name HG*  )) ((resid    2 and name HN   ))   4.91  3.11  0.00 ! #SUP  3.52
assign  ((resid    1 and name HG*  )) ((resid    3 and name HE#  ))   3.19  1.39  0.00 ! #SUP  1.38
!assign  ((resid    1 and name HG*  )) ((resid    6 and name HG1* ))   3.08  1.28  0.00 ! #SUP  1.89
!assign  ((resid    1 and name HG*  )) ((resid    6 and name HG2* ))   2.64  0.84  0.00 ! #SUP  1.76
assign  ((resid    1 and name HG*  )) ((resid   18 and name HA   ))   5.50  3.70  0.00 ! #SUP  1.27
assign (resid 1 and name HG##) (resid 6 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.67
assign (resid 1 and name HG##) (resid 6 and name HG2#) 4.500 2.7 0.0 !   mhnoesy_final2.66
assign  ((resid    2 and name HA   )) ((resid    3 and name HN   ))   2.82  1.02  0.00 ! #SUP  4.27
assign  ((resid    2 and name HB1  )) ((resid    3 and name HN   ))   4.45  2.65  0.00 ! #SUP  5.36
assign  ((resid    2 and name HB1  )) ((resid    4 and name HN   ))   4.99  3.19  0.00 ! #SUP  3.35
assign  ((resid    2 and name HB2  )) ((resid    3 and name HN   ))   4.30  2.50  0.00 ! #SUP  5.36
assign  ((resid    2 and name HB2  )) ((resid    4 and name HN   ))   5.02  3.22  0.00 ! #SUP  3.35
!assign  ((resid    3 and name HA   )) ((resid    3 and name HE#  ))   3.47  1.67  0.00 ! #SUP  3.50
!assign  ((resid    3 and name HA   )) ((resid    3 and name HG1  ))   3.69  1.89  0.00 ! #SUP  6.00
!assign  ((resid    3 and name HA   )) ((resid    3 and name HG2  ))   3.99  2.19  0.00 ! #SUP  5.66
assign  ((resid    3 and name HA   )) ((resid    5 and name HN   ))   4.14  2.34  0.00 ! #SUP  5.69
assign  ((resid    3 and name HA   )) ((resid    6 and name HG1* ))   3.31  1.51  0.00 ! #SUP  5.61
assign  ((resid    3 and name HA   )) ((resid    6 and name HN   ))   3.83  2.03  0.00 ! #SUP  4.73
assign  ((resid    3 and name HB2  )) ((resid    4 and name HN   ))   4.34  2.54  0.00 ! #SUP  5.90
assign  ((resid    3 and name HG1  )) ((resid    4 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.45
!assign  ((resid    3 and name HG2  )) ((resid    3 and name HE#  ))   3.15  1.35  0.00 ! #SUP  3.26
assign  ((resid    3 and name HN   )) ((resid    3 and name HB2  ))   3.59  1.79  0.00 ! #SUP  6.01
assign  ((resid    3 and name HN   )) ((resid    3 and name HG1  ))   3.42  1.62  0.00 ! #SUP  6.41
assign  ((resid    3 and name HN   )) ((resid    3 and name HG2  ))   3.79  1.99  0.00 ! #SUP  6.38
assign  ((resid    3 and name HN   )) ((resid    4 and name HN   ))   3.29  1.49  0.00 ! #SUP  8.05
assign  ((resid    3 and name HN   )) ((resid    5 and name HN   ))   4.80  3.00  0.00 ! #SUP  4.26
assign  ((resid    3 and name HN   )) ((resid    6 and name HG1* ))   5.01  3.21  0.00 ! #SUP  3.95
assign (resid 3 and name HE# ) (resid 1 and name HG##) 4.500 2.7 0.0 !   mhnoesy_final2.39
assign (resid 3 and name HE# ) (resid 6 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.41
assign (resid 3 and name HE# ) (resid 6 and name HG2#) 5.500 3.7 0.0 !   mhnoesy_final2.40
!assign  ((resid    4 and name HA   )) ((resid    4 and name HB*  ))   2.71  0.91  0.00 ! #SUP  2.00
assign  ((resid    4 and name HA   )) ((resid    5 and name HN   ))   3.63  1.83  0.00 ! #SUP  4.57
assign  ((resid    4 and name HB*  )) ((resid    5 and name HN   ))   3.85  2.05  0.00 ! #SUP  4.57
assign  ((resid    4 and name HB*  )) ((resid    6 and name HN   ))   4.75  2.95  0.00 ! #SUP  4.15
assign  ((resid    4 and name HN   )) ((resid    4 and name HB*  ))   3.08  1.28  0.00 ! #SUP  4.20
assign  ((resid    4 and name HN   )) ((resid    5 and name HA   ))   4.93  3.13  0.00 ! #SUP  5.06
assign  ((resid    4 and name HN   )) ((resid    5 and name HN   ))   3.39  1.59  0.00 ! #SUP  9.21
assign  ((resid    4 and name HN   )) ((resid    6 and name HG1* ))   5.12  3.32  0.00 ! #SUP  6.27
assign  ((resid    4 and name HN   )) ((resid    6 and name HN   ))   4.37  2.57  0.00 ! #SUP  8.48
!assign  ((resid    5 and name HA   )) ((resid    5 and name HD2* ))   3.86  2.06  0.00 ! #SUP  4.58
assign  ((resid    5 and name HA   )) ((resid    6 and name HN   ))   3.61  1.81  0.00 ! #SUP  6.68
assign  ((resid    5 and name HA   )) ((resid   22 and name HB*  ))   3.74  1.94  0.00 ! #SUP  4.97
assign  ((resid    5 and name HA   )) ((resid   22 and name HD*  ))   3.37  1.57  0.00 ! #SUP  3.86
assign  ((resid    5 and name HA   )) ((resid   22 and name HG*  ))   3.62  1.82  0.00 ! #SUP  4.02
assign  ((resid    5 and name HA   )) ((resid   22 and name HN   ))   4.97  3.17  0.00 ! #SUP  6.28
!assign  ((resid    5 and name HB1  )) ((resid    5 and name HD2* ))   3.77  1.97  0.00 ! #SUP  4.49
assign  ((resid    5 and name HB1  )) ((resid    6 and name HN   ))   4.49  2.69  0.00 ! #SUP  6.68
assign  ((resid    5 and name HB1  )) ((resid   21 and name HD*  ))   4.22  2.42  0.00 ! #SUP  4.42
assign  ((resid    5 and name HB1  )) ((resid   22 and name HN   ))   5.21  3.41  0.00 ! #SUP  4.14
assign  ((resid    5 and name HB2  )) ((resid    6 and name HN   ))   4.48  2.68  0.00 ! #SUP  6.17
assign  ((resid    5 and name HB2  )) ((resid   22 and name HB*  ))   4.03  2.23  0.00 ! #SUP  2.86
assign  ((resid    5 and name HD2* )) ((resid    6 and name HA   ))   4.29  2.49  0.00 ! #SUP  4.83
assign  ((resid    5 and name HD2* )) ((resid    6 and name HB   ))   3.46  1.66  0.00 ! #SUP  5.02
assign  ((resid    5 and name HD2* )) ((resid    6 and name HG2* ))   3.93  2.13  0.00 ! #SUP  4.88
assign  ((resid    5 and name HD2* )) ((resid    6 and name HN   ))   4.15  2.35  0.00 ! #SUP  7.67
assign  ((resid    5 and name HD2* )) ((resid   21 and name HD*  ))   3.66  1.86  0.00 ! #SUP  5.77
assign  ((resid    5 and name HD2* )) ((resid   22 and name HB*  ))   4.94  3.14  0.00 ! #SUP  4.29
assign  ((resid    5 and name HD2* )) ((resid   22 and name HD*  ))   5.03  3.23  0.00 ! #SUP  3.23
assign  ((resid    5 and name HD2* )) ((resid   22 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.30
assign  ((resid    5 and name HN   )) ((resid    5 and name HB1  ))   3.33  1.53  0.00 ! #SUP  6.24
assign  ((resid    5 and name HN   )) ((resid    5 and name HB2  ))   3.65  1.85  0.00 ! #SUP  5.50
assign  ((resid    5 and name HN   )) ((resid    6 and name HA   ))   4.87  3.07  0.00 ! #SUP  5.22
assign  ((resid    5 and name HN   )) ((resid    6 and name HG1* ))   4.27  2.47  0.00 ! #SUP  5.95
assign  ((resid    5 and name HN   )) ((resid    6 and name HN   ))   3.22  1.42  0.00 ! #SUP  9.78
assign  ((resid    5 and name HN   )) ((resid   21 and name HD*  ))   5.13  3.33  0.00 ! #SUP  3.10
!assign  ((resid    6 and name HA   )) ((resid    6 and name HG1* ))   3.44  1.64  0.00 ! #SUP  5.31
!assign  ((resid    6 and name HA   )) ((resid    6 and name HG2* ))   3.40  1.60  0.00 ! #SUP  5.23
assign  ((resid    6 and name HA   )) ((resid    7 and name HN   ))   3.56  1.76  0.00 ! #SUP  4.74
assign  ((resid    6 and name HA   )) ((resid    8 and name HN   ))   4.04  2.24  0.00 ! #SUP  3.56
assign  ((resid    6 and name HA   )) ((resid   21 and name HA   ))   3.23  1.43  0.00 ! #SUP  6.01
assign  ((resid    6 and name HA   )) ((resid   21 and name HD*  ))   4.20  2.40  0.00 ! #SUP  7.65
assign  ((resid    6 and name HA   )) ((resid   21 and name HN   ))   5.09  3.29  0.00 ! #SUP  3.39
assign  ((resid    6 and name HG1* )) ((resid    7 and name HN   ))   4.74  2.94  0.00 ! #SUP  4.79
assign  ((resid    6 and name HG1* )) ((resid    8 and name HN   ))   4.85  3.05  0.00 ! #SUP  3.56
assign  ((resid    6 and name HG1* )) ((resid   19 and name HB2  ))   4.77  2.97  0.00 ! #SUP  2.75
assign  ((resid    6 and name HG1* )) ((resid   22 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.42
!assign  ((resid    6 and name HG2* )) ((resid   21 and name HD*  ))   4.52  2.72  0.00 ! #SUP  7.29
assign  ((resid    6 and name HN   )) ((resid    6 and name HB   ))   2.96  1.16  0.00 ! #SUP  6.51
assign  ((resid    6 and name HN   )) ((resid    6 and name HG1* ))   3.48  1.68  0.00 ! #SUP  6.00
assign  ((resid    6 and name HN   )) ((resid    7 and name HG1* ))   5.50  3.70  0.00 ! #SUP  3.22
assign  ((resid    6 and name HN   )) ((resid   21 and name HA   ))   4.76  2.96  0.00 ! #SUP  4.49
assign  ((resid    6 and name HN   )) ((resid   21 and name HD*  ))   4.96  3.16  0.00 ! #SUP  6.21
assign  ((resid    6 and name HN   )) ((resid   22 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.32
assign (resid 6 and name HG2#) (resid 20 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.104
!assign (resid 6 and name HG2#) (resid 6 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.105
!assign (resid 7 and name HG2#) (resid 7 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.68
!assign  ((resid    7 and name HA   )) ((resid    7 and name HB   ))   2.96  1.16  0.00 ! #SUP  3.61
!assign  ((resid    7 and name HA   )) ((resid    7 and name HG1* ))   3.30  1.50  0.00 ! #SUP  4.16
!assign  ((resid    7 and name HA   )) ((resid    7 and name HG2* ))   3.52  1.72  0.00 ! #SUP  3.82
!assign  ((resid    7 and name HG2* )) ((resid   20 and name HG1* ))   3.82  2.02  0.00 ! #SUP  2.83
assign  ((resid    7 and name HG2* )) ((resid   21 and name HA   ))   4.11  2.31  0.00 ! #SUP  6.52
assign  ((resid    7 and name HG2* )) ((resid   22 and name HA   ))   3.21  1.41  0.00 ! #SUP  4.68
assign  ((resid    7 and name HG2* )) ((resid   23 and name HN   ))   5.27  3.47  0.00 ! #SUP  4.75
assign  ((resid    7 and name HN   )) ((resid    7 and name HG1* ))   4.80  3.00  0.00 ! #SUP  5.62
assign  ((resid    7 and name HN   )) ((resid    8 and name HN   ))   3.63  1.83  0.00 ! #SUP  6.81
assign  ((resid    7 and name HN   )) ((resid   21 and name HA   ))   4.11  2.31  0.00 ! #SUP 10.00
assign  ((resid    7 and name HN   )) ((resid   21 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.48
assign  ((resid    7 and name HN   )) ((resid   21 and name HB2  ))   5.50  3.70  0.00 ! #SUP  5.74
assign  ((resid    7 and name HN   )) ((resid   21 and name HD*  ))   5.29  3.49  0.00 ! #SUP  7.89
!assign  ((resid    7 and name HN   )) ((resid   21 and name HN   ))   4.62  2.82  0.00 ! #SUP  7.54 diagonal
assign  ((resid    7 and name HN   )) ((resid   22 and name HN   ))   5.00  3.20  0.00 ! #SUP  8.52
assign (resid 7 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.86
!assign  ((resid    8 and name HA   )) ((resid    8 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.89
assign  ((resid    8 and name HA   )) ((resid    9 and name HB   ))   4.23  2.43  0.00 ! #SUP  4.71
assign  ((resid    8 and name HA   )) ((resid    9 and name HN   ))   2.94  1.14  0.00 ! #SUP  7.13
assign  ((resid    8 and name HB1  )) ((resid   20 and name HG2* ))   4.18  2.38  0.00 ! #SUP  4.54
assign  ((resid    8 and name HB1  )) ((resid   20 and name HN   ))   4.95  3.15  0.00 ! #SUP  3.92
!assign  ((resid    8 and name HB2  )) ((resid    8 and name HD*  ))   2.60  0.80  0.00 ! #SUP  6.21
assign  ((resid    8 and name HB2  )) ((resid    9 and name HN   ))   4.03  2.23  0.00 ! #SUP  6.48
assign  ((resid    8 and name HB2  )) ((resid   20 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.53
assign  ((resid    8 and name HD*  )) ((resid    9 and name HN   ))   3.95  2.15  0.00 ! #SUP  6.85
assign  ((resid    8 and name HE1  )) ((resid    9 and name HN   ))   5.39  3.59  0.00 ! #SUP  5.83
assign  ((resid    8 and name HE1  )) ((resid   10 and name HE*  ))   4.63  2.83  0.00 ! #SUP  0.63
assign  ((resid    8 and name HE2  )) ((resid    9 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.46
assign  ((resid    8 and name HN   )) ((resid    8 and name HB1  ))   4.13  2.33  0.00 ! #SUP  5.36
assign  ((resid    8 and name HN   )) ((resid    9 and name HN   ))   4.94  3.14  0.00 ! #SUP  5.63
assign  ((resid    8 and name HN   )) ((resid   20 and name HN   ))   4.34  2.54  0.00 ! #SUP  5.47
assign  ((resid    8 and name HN   )) ((resid   21 and name HA   ))   4.86  3.06  0.00 ! #SUP  3.68
!assign  ((resid    9 and name HA   )) ((resid    9 and name HG2* ))   3.75  1.95  0.00 ! #SUP  3.84
assign  ((resid    9 and name HA   )) ((resid   10 and name HD*  ))   4.77  2.97  0.00 ! #SUP  3.14
assign  ((resid    9 and name HB   )) ((resid   10 and name HN   ))   4.81  3.01  0.00 ! #SUP  4.51
assign  ((resid    9 and name HG2* )) ((resid   10 and name HN   ))   4.08  2.28  0.00 ! #SUP  5.57
assign  ((resid    9 and name HG2* )) ((resid   11 and name HN   ))   4.94  3.14  0.00 ! #SUP  1.81
assign  ((resid    9 and name HG2* )) ((resid   17 and name HB1  ))   3.02  1.22  0.00 ! #SUP  2.65
assign  ((resid    9 and name HG2* )) ((resid   17 and name HB2  ))   4.48  2.68  0.00 ! #SUP  2.61
assign  ((resid    9 and name HG2* )) ((resid   17 and name HD*  ))   3.55  1.75  0.00 ! #SUP  2.22
assign  ((resid    9 and name HG2* )) ((resid   18 and name HN   ))   4.68  2.88  0.00 ! #SUP  6.12
assign  ((resid    9 and name HN   )) ((resid    9 and name HB   ))   3.29  1.49  0.00 ! #SUP  6.64
assign  ((resid    9 and name HN   )) ((resid   10 and name HN   ))   4.94  3.14  0.00 ! #SUP  4.47
assign (resid 9 and name HG2#) (resid 3 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.100
assign (resid 9 and name HG2#) (resid 6 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.101
!assign (resid 10 and name HD#) (resid 10 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.202
!assign (resid 10 and name HD#) (resid 10 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.214
!assign (resid 10 and name HD#) (resid 10 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.216
!assign (resid 10 and name HD#) (resid 10 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.20
!assign (resid 10 and name HD#) (resid 10 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.4
!assign (resid 10 and name HE#) (resid 10 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.201
!assign (resid 10 and name HE#) (resid 10 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.213
!assign (resid 10 and name HE#) (resid 10 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.215
!assign (resid 10 and name HE#) (resid 10 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.5
!assign  ((resid   10 and name HA   )) ((resid   10 and name HD*  ))   3.91  2.11  0.00 ! #SUP  4.61
assign  ((resid   10 and name HA   )) ((resid   11 and name HB2  ))   5.50  3.70  0.00 ! #SUP  3.88
assign  ((resid   10 and name HA   )) ((resid   11 and name HN   ))   2.98  1.18  0.00 ! #SUP  6.56
assign  ((resid   10 and name HA   )) ((resid   12 and name HD2* ))   5.15  3.35  0.00 ! #SUP  4.09
!assign  ((resid   10 and name HA   )) ((resid   12 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.93
assign  ((resid   10 and name HA   )) ((resid   18 and name HB   ))   5.01  3.21  0.00 ! #SUP  7.14
assign  ((resid   10 and name HA   )) ((resid   18 and name HN   ))   5.21  3.41  0.00 ! #SUP  6.36
assign  ((resid   10 and name HA   )) ((resid   46 and name HG2* ))   4.72  2.92  0.00 ! #SUP  2.99
!assign  ((resid   10 and name HB1  )) ((resid   12 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.93 
assign  ((resid   10 and name HB1  )) ((resid   18 and name HB   ))   3.97  2.17  0.00 ! #SUP  6.98
assign  ((resid   10 and name HB1  )) ((resid   18 and name HN   ))   4.71  2.91  0.00 ! #SUP  6.40
assign  ((resid   10 and name HB1  )) ((resid   46 and name HG2* ))   5.16  3.36  0.00 ! #SUP  2.79
assign  ((resid   10 and name HB1  )) ((resid   52 and name HD1* ))   5.17  3.37  0.00 ! #SUP  3.11
assign  ((resid   10 and name HB2  )) ((resid   18 and name HB   ))   3.72  1.92  0.00 ! #SUP  6.61
assign  ((resid   10 and name HB2  )) ((resid   18 and name HG2* ))   5.20  3.40  0.00 ! #SUP  4.36
assign  ((resid   10 and name HB2  )) ((resid   18 and name HN   ))   4.50  2.70  0.00 ! #SUP  6.10
assign  ((resid   10 and name HB2  )) ((resid   46 and name HG2* ))   5.50  3.70  0.00 ! #SUP  2.47
assign  ((resid   10 and name HB2  )) ((resid   52 and name HD1* ))   5.43  3.63  0.00 ! #SUP  2.74
!assign  ((resid   10 and name HD*  )) ((resid   11 and name HN   ))   4.30  2.50  0.00 ! #SUP  4.28
!assign  ((resid   10 and name HD*  )) ((resid   18 and name HB   ))   3.88  2.08  0.00 ! #SUP  7.51
!assign  ((resid   10 and name HD*  )) ((resid   18 and name HN   ))   4.63  2.83  0.00 ! #SUP  7.84
!assign  ((resid   10 and name HD*  )) ((resid   19 and name HN   ))   4.56  2.76  0.00 ! #SUP  2.09
!assign  ((resid   10 and name HD*  )) ((resid   20 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.00
!assign  ((resid   10 and name HD*  )) ((resid   46 and name HG2* ))   4.15  2.35  0.00 ! #SUP  2.98
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HB   ))   5.24  3.44  0.00 ! #SUP  2.25
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HD1* ))   4.12  2.32  0.00 ! #SUP  1.74
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HG12 ))   4.87  3.07  0.00 ! #SUP  2.25
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HG2* ))   4.40  2.60  0.00 ! #SUP  1.74
!assign  ((resid   10 and name HE*  )) ((resid   61 and name HD1  ))   5.03  3.23  0.00 ! #SUP  0.75
!assign  ((resid   10 and name HE*  )) ((resid   61 and name HD2  ))   5.04  3.24  0.00 ! #SUP  0.75
!assign  ((resid   10 and name HN   )) ((resid   10 and name HD*  ))   3.98  2.18  0.00 ! #SUP  7.00
!assign  ((resid   10 and name HN   )) ((resid   10 and name HE*  ))   5.27  3.47  0.00 ! #SUP  2.83
assign  ((resid   10 and name HN   )) ((resid   11 and name HN   ))   4.95  3.15  0.00 ! #SUP  5.26
!assign  ((resid   10 and name HN   )) ((resid   17 and name HA   ))   4.84  3.04  0.00 ! #SUP  2.30 verifie sur 2d noesy
assign  ((resid   10 and name HN   )) ((resid   18 and name HB   ))   4.44  2.64  0.00 ! #SUP  9.34
assign  ((resid   10 and name HN   )) ((resid   18 and name HN   ))   4.34  2.54  0.00 ! #SUP  8.98
assign  ((resid   10 and name HN   )) ((resid   20 and name HN   ))   5.33  3.53  0.00 ! #SUP  0.75
assign  ((resid   10 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  2.25
assign (resid 10 and name HD#) (resid 18 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.241
assign (resid 10 and name HD#) (resid 18 and name HG2#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.242
assign (resid 10 and name HD#) (resid 50 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.237
assign (resid 10 and name HD#) (resid 52 and name HD1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.250
assign (resid 10 and name HD#) (resid 52 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.247
assign (resid 10 and name HD#) (resid 59 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.248
assign (resid 10 and name HD#) (resid 9 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.195
assign (resid 10 and name HD#) (resid 9 and name HB) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.209
assign (resid 10 and name HD#) (resid 11 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.2
assign (resid 10 and name HD#) (resid 18 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.0
assign (resid 10 and name HE#) (resid 50 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.233
assign (resid 10 and name HE#) (resid 52 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.249
assign (resid 10 and name HE#) (resid 52 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.244
assign (resid 10 and name HE#) (resid 59 and name HD1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.245
assign (resid 10 and name HE#) (resid 61 and name HD1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.210
assign (resid 10 and name HE#) (resid 61 and name HD2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.211
assign (resid 10 and name HE#) (resid 9 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.194
assign (resid 10 and name HE#) (resid 11 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.3
assign  ((resid   11 and name HA   )) ((resid   12 and name HN   ))   3.47  1.67  0.00 ! #SUP  4.09
assign  ((resid   11 and name HA   )) ((resid   17 and name HA   ))   4.15  2.35  0.00 ! #SUP  4.62
assign  ((resid   11 and name HA   )) ((resid   17 and name HG2  ))   3.29  1.49  0.00 ! #SUP  3.58
assign  ((resid   11 and name HA   )) ((resid   18 and name HN   ))   4.78  2.98  0.00 ! #SUP  6.16
assign  ((resid   11 and name HB1  )) ((resid   47 and name HD*  ))   4.10  2.30  0.00 ! #SUP  2.61
assign  ((resid   11 and name HB1  )) ((resid   47 and name HG*  ))   4.13  2.33  0.00 ! #SUP  3.38
assign  ((resid   11 and name HB2  )) ((resid   47 and name HB1  ))   4.28  2.48  0.00 ! #SUP  3.83
assign  ((resid   11 and name HB2  )) ((resid   47 and name HD*  ))   3.99  2.19  0.00 ! #SUP  4.60
assign  ((resid   11 and name HB2  )) ((resid   47 and name HG*  ))   4.02  2.22  0.00 ! #SUP  5.82
assign  ((resid   11 and name HN   )) ((resid   11 and name HB2  ))   3.54  1.74  0.00 ! #SUP  5.12
assign  ((resid   11 and name HN   )) ((resid   12 and name HD2* ))   5.34  3.54  0.00 ! #SUP  5.05
assign  ((resid   11 and name HN   )) ((resid   17 and name HA   ))   5.50  3.70  0.00 ! a la main, 3dnnoesy
assign  ((resid   11 and name HN   )) ((resid   18 and name HN   ))   5.50  3.70  0.00 ! a la main, 3dnnoesy
assign  ((resid   11 and name HN   )) ((resid   46 and name HG2* ))   5.03  3.23  0.00 ! #SUP  6.36
!assign  ((resid   11 and name HN   )) ((resid   47 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.43
assign  ((resid   11 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  1.53
assign  ((resid   12 and name HA   )) ((resid   12 and name HD2* ))   3.88  2.08  0.00 ! #SUP  2.81
assign  ((resid   12 and name HA   )) ((resid   14 and name HN   ))   5.19  3.39  0.00 ! #SUP  4.90
!assign  ((resid   12 and name HA   )) ((resid   47 and name HN   ))   4.19  2.39  0.00 ! #SUP  3.72 epaule
assign  ((resid   12 and name HB1  )) ((resid   13 and name HN   ))   4.04  2.24  0.00 ! #SUP  5.65
assign  ((resid   12 and name HB1  )) ((resid   14 and name HN   ))   3.96  2.16  0.00 ! #SUP  8.96
assign  ((resid   12 and name HB1  )) ((resid   15 and name HA2  ))   5.06  3.26  0.00 ! #SUP  2.21
assign  ((resid   12 and name HB1  )) ((resid   15 and name HN   ))   4.87  3.07  0.00 ! #SUP  5.27
!assign  ((resid   12 and name HB2  )) ((resid   12 and name HD1* ))   3.23  1.43  0.00 ! #SUP  4.54
assign  ((resid   12 and name HB2  )) ((resid   15 and name HN   ))   4.63  2.83  0.00 ! #SUP  4.54
assign  ((resid   12 and name HB2  )) ((resid   16 and name HN   ))   4.05  2.25  0.00 ! #SUP  7.17
assign  ((resid   12 and name HD1* )) ((resid   13 and name HN   ))   5.25  3.45  0.00 ! #SUP  5.71
assign  ((resid   12 and name HD1* )) ((resid   14 and name HN   ))   4.90  3.10  0.00 ! #SUP  5.76
assign  ((resid   12 and name HD1* )) ((resid   16 and name HB1  ))   4.58  2.78  0.00 ! #SUP  4.33
assign  ((resid   12 and name HD1* )) ((resid   16 and name HB2  ))   4.19  2.39  0.00 ! #SUP  3.77
assign  ((resid   12 and name HD1* )) ((resid   16 and name HN   ))   4.81  3.01  0.00 ! #SUP  7.91
assign  ((resid   12 and name HD1* )) ((resid   44 and name HB2  ))   4.41  2.61  0.00 ! #SUP  2.35
!assign  ((resid   12 and name HD1* )) ((resid   44 and name HG*  ))   4.43  2.63  0.00 ! #SUP  3.32
assign  ((resid   12 and name HD1* )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.82
assign  ((resid   12 and name HD2* )) ((resid   13 and name HN   ))   4.57  2.77  0.00 ! #SUP  6.72
assign  ((resid   12 and name HD2* )) ((resid   14 and name HN   ))   5.16  3.36  0.00 ! #SUP  6.33
assign  ((resid   12 and name HD2* )) ((resid   16 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.99
assign  ((resid   12 and name HD2* )) ((resid   17 and name HA   ))   5.33  3.53  0.00 ! #SUP  5.07
assign  ((resid   12 and name HD2* )) ((resid   17 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.58
!assign  ((resid   12 and name HD2* )) ((resid   18 and name HG1* ))   4.20  2.40  0.00 ! #SUP  1.32
assign  ((resid   12 and name HD2* )) ((resid   18 and name HN   ))   5.37  3.57  0.00 ! #SUP  5.21
assign  ((resid   12 and name HD2* )) ((resid   44 and name HB1  ))   5.24  3.44  0.00 ! #SUP  2.36
assign  ((resid   12 and name HD2* )) ((resid   46 and name HA   ))   4.03  2.23  0.00 ! #SUP  4.98
!assign  ((resid   12 and name HD2* )) ((resid   46 and name HG2* ))   3.95  2.15  0.00 ! #SUP  5.79
assign  ((resid   12 and name HD2* )) ((resid   47 and name HN   ))   5.02  3.22  0.00 ! #SUP  6.96 ! ok, verifie
assign  ((resid   12 and name HG   )) ((resid   13 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.65
assign  ((resid   12 and name HG   )) ((resid   16 and name HN   ))   5.44  3.64  0.00 ! #SUP  4.59
assign  ((resid   12 and name HG   )) ((resid   17 and name HA   ))   4.72  2.92  0.00 ! #SUP  2.40
assign  ((resid   12 and name HN   )) ((resid   12 and name HB2  ))   4.12  2.32  0.00 ! #SUP  4.95
!assign  ((resid   12 and name HN   )) ((resid   12 and name HD1* ))   4.85  3.05  0.00 ! #SUP  5.56
!assign  ((resid   12 and name HN   )) ((resid   12 and name HD2* ))   4.62  2.82  0.00 ! #SUP  6.76
!assign  ((resid   12 and name HN   )) ((resid   12 and name HG   ))   3.99  2.19  0.00 ! #SUP  5.27
assign  ((resid   12 and name HN   )) ((resid   14 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.37
assign  ((resid   12 and name HN   )) ((resid   15 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.13
assign  ((resid   12 and name HN   )) ((resid   16 and name HB2  ))   5.50  3.70  0.00 ! #SUP  4.84
assign  ((resid   12 and name HN   )) ((resid   16 and name HN   ))   5.35  3.55  0.00 ! #SUP 10.00
assign  ((resid   12 and name HN   )) ((resid   17 and name HA   ))   4.36  2.56  0.00 ! #SUP  9.11
assign  ((resid   12 and name HN   )) ((resid   17 and name HG2  ))   5.02  3.22  0.00 ! #SUP  6.65
!assign  ((resid   12 and name HN   )) ((resid   18 and name HN   ))   4.34  2.54  0.00 ! #SUP  6.39 diagonal
!assign  ((resid   12 and name HN   )) ((resid   46 and name HA   ))   5.43  3.63  0.00 ! #SUP  3.12
!assign  ((resid   12 and name HN   )) ((resid   47 and name HN   ))   4.70  2.90  0.00 ! #SUP  6.55 pas de NOE sur 12HN
assign (resid 12 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.143
assign (resid 12 and name HD2#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.114
assign (resid 12 and name HD2#) (resid 12 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.115
assign (resid 12 and name HD2#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.111
assign (resid 12 and name HD2#) (resid 38 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.108
assign (resid 12 and name HD2#) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.106
assign (resid 12 and name HD2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.113
assign (resid 12 and name HD2#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.107
!assign  ((resid   13 and name HA   )) ((resid   13 and name HG1  ))   3.78  1.98  0.00 ! #SUP  4.48
!assign  ((resid   13 and name HA   )) ((resid   13 and name HG2  ))   3.94  2.14  0.00 ! #SUP  5.12
assign  ((resid   13 and name HA   )) ((resid   47 and name HA   ))   3.15  1.35  0.00 ! #SUP  8.46
assign  ((resid   13 and name HA   )) ((resid   47 and name HB1  ))   4.68  2.88  0.00 ! #SUP  2.62
assign  ((resid   13 and name HA   )) ((resid   47 and name HG*  ))   3.76  1.96  0.00 ! #SUP  2.62
assign  ((resid   13 and name HA   )) ((resid   47 and name HN   ))   5.00  3.20  0.00 ! #SUP  6.87
assign  ((resid   13 and name HB1  )) ((resid   14 and name HN   ))   3.96  2.16  0.00 ! #SUP  7.18
assign  ((resid   13 and name HB1  )) ((resid   47 and name HA   ))   5.07  3.27  0.00 ! #SUP  3.75
!assign  ((resid   13 and name HB2  )) ((resid   13 and name HE21 ))   5.50  3.70  0.00 ! #SUP  3.54
assign  ((resid   13 and name HB2  )) ((resid   47 and name HA   ))   4.81  3.01  0.00 ! #SUP  5.59
assign  ((resid   13 and name HB2  )) ((resid   47 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.82
assign  ((resid   13 and name HG1  )) ((resid   14 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.57
assign  ((resid   13 and name HG1  )) ((resid   47 and name HA   ))   4.24  2.44  0.00 ! #SUP  5.02
assign  ((resid   13 and name HG1  )) ((resid   47 and name HB2  ))   4.35  2.55  0.00 ! #SUP  0.75
assign  ((resid   13 and name HG2  )) ((resid   14 and name HN   ))   4.87  3.07  0.00 ! #SUP  7.13
assign  ((resid   13 and name HG2  )) ((resid   47 and name HA   ))   4.51  2.71  0.00 ! #SUP  3.24
assign  ((resid   13 and name HN   )) ((resid   13 and name HB1  ))   3.67  1.87  0.00 ! #SUP  5.16
assign  ((resid   13 and name HN   )) ((resid   14 and name HN   ))   3.84  2.04  0.00 ! #SUP  8.04
!assign  ((resid   13 and name HN   )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.40 diagonal
assign  ((resid   13 and name HN   )) ((resid   46 and name HA   ))   4.06  2.26  0.00 ! #SUP  3.89
assign  ((resid   13 and name HN   )) ((resid   46 and name HG2* ))   5.50  3.70  0.00 ! #SUP  3.83
assign  ((resid   13 and name HN   )) ((resid   47 and name HA   ))   5.21  3.41  0.00 ! #SUP  5.28
assign  ((resid   13 and name HN   )) ((resid   47 and name HN   ))   4.91  3.11  0.00 ! #SUP  7.25
assign  ((resid   14 and name HA   )) ((resid   14 and name HB2  ))   3.03  1.23  0.00 ! #SUP  3.00
assign  ((resid   14 and name HB1  )) ((resid   15 and name HN   ))   4.84  3.04  0.00 ! #SUP  3.89
assign  ((resid   14 and name HB2  )) ((resid   15 and name HN   ))   5.01  3.21  0.00 ! #SUP  3.89
assign  ((resid   14 and name HN   )) ((resid   14 and name HB1  ))   3.57  1.77  0.00 ! #SUP  5.21
assign  ((resid   14 and name HN   )) ((resid   14 and name HB2  ))   3.65  1.85  0.00 ! #SUP  5.21
assign  ((resid   14 and name HN   )) ((resid   15 and name HA1  ))   4.48  2.68  0.00 ! #SUP  3.82
assign  ((resid   14 and name HN   )) ((resid   15 and name HA2  ))   4.83  3.03  0.00 ! #SUP  3.82
!assign  ((resid   14 and name HN   )) ((resid   15 and name HN   ))   3.53  1.73  0.00 ! #SUP  6.90 diagonal
!assign  ((resid   14 and name HN   )) ((resid   16 and name HN   ))   3.80  2.00  0.00 ! #SUP  3.00 diagonal
assign  ((resid   15 and name HA1  )) ((resid   31 and name HB1  ))   4.15  2.35  0.00 ! #SUP  4.30
assign  ((resid   15 and name HA1  )) ((resid   31 and name HB2  ))   4.36  2.56  0.00 ! #SUP  3.30
assign  ((resid   15 and name HA2  )) ((resid   31 and name HA   ))   2.90  1.10  0.00 ! #SUP  2.58
assign  ((resid   15 and name HA2  )) ((resid   31 and name HB1  ))   4.21  2.41  0.00 ! #SUP  6.17
assign  ((resid   15 and name HA2  )) ((resid   31 and name HB2  ))   4.43  2.63  0.00 ! #SUP  5.08
assign  ((resid   15 and name HA2  )) ((resid   31 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.97
assign  ((resid   15 and name HN   )) ((resid   16 and name HN   ))   3.61  1.81  0.00 ! #SUP  3.96
assign  ((resid   16 and name HA   )) ((resid   17 and name HN   ))   3.29  1.49  0.00 ! #SUP  5.74
assign  ((resid   16 and name HB1  )) ((resid   17 and name HN   ))   3.68  1.88  0.00 ! #SUP  4.99
assign  ((resid   16 and name HB1  )) ((resid   29 and name HN   ))   5.33  3.53  0.00 ! #SUP  3.67
assign  ((resid   16 and name HB2  )) ((resid   17 and name HN   ))   3.83  2.03  0.00 ! #SUP  4.99
assign  ((resid   16 and name HB2  )) ((resid   29 and name HN   ))   5.36  3.56  0.00 ! #SUP  3.13
assign  ((resid   16 and name HN   )) ((resid   16 and name HB1  ))   3.92  2.12  0.00 ! #SUP  4.29
assign  ((resid   16 and name HN   )) ((resid   16 and name HB2  ))   3.93  2.13  0.00 ! #SUP  4.09
assign  ((resid   16 and name HN   )) ((resid   17 and name HN   ))   4.60  2.80  0.00 ! #SUP  5.35
!assign  ((resid   17 and name HA   )) ((resid   17 and name HD*  ))   4.31  2.51  0.00 ! #SUP  6.95
assign  ((resid   17 and name HA   )) ((resid   18 and name HN   ))   3.33  1.53  0.00 ! #SUP  6.39
!assign  ((resid   17 and name HB1  )) ((resid   17 and name HD*  ))   3.61  1.81  0.00 ! #SUP  6.75
assign  ((resid   17 and name HB1  )) ((resid   18 and name HN   ))   4.28  2.48  0.00 ! #SUP  5.91
assign  ((resid   17 and name HB1  )) ((resid   29 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.06
!assign  ((resid   17 and name HB2  )) ((resid   17 and name HD*  ))   3.05  1.25  0.00 ! #SUP  6.86
assign  ((resid   17 and name HB2  )) ((resid   29 and name HG*  ))   4.99  3.19  0.00 ! #SUP  3.65
!assign  ((resid   17 and name HG2  )) ((resid   17 and name HD*  ))   3.05  1.25  0.00 ! #SUP  7.44
assign  ((resid   17 and name HG2  )) ((resid   18 and name HN   ))   5.39  3.59  0.00 ! #SUP  6.07
!assign  ((resid   17 and name HN   )) ((resid   17 and name HD*  ))   5.13  3.33  0.00 ! #SUP  8.26
!assign  ((resid   17 and name HN   )) ((resid   17 and name HG2  ))   4.89  3.09  0.00 ! #SUP  8.66
assign  ((resid   17 and name HN   )) ((resid   28 and name HA   ))   4.98  3.18  0.00 ! #SUP  3.70
assign  ((resid   17 and name HN   )) ((resid   29 and name HG*  ))   4.97  3.17  0.00 ! #SUP  3.73
!assign  ((resid   18 and name HA   )) ((resid   18 and name HG1* ))   3.55  1.75  0.00 ! #SUP  3.31
!assign  ((resid   18 and name HA   )) ((resid   18 and name HG2* ))   3.50  1.70  0.00 ! #SUP  3.91
assign  ((resid   18 and name HA   )) ((resid   19 and name HN   ))   3.32  1.52  0.00 ! #SUP  4.04
assign  ((resid   18 and name HA   )) ((resid   27 and name HN   ))   4.70  2.90  0.00 ! #SUP  4.06
assign  ((resid   18 and name HA   )) ((resid   28 and name HA   ))   3.51  1.71  0.00 ! #SUP  7.08
assign  ((resid   18 and name HA   )) ((resid   28 and name HN   ))   4.78  2.98  0.00 ! #SUP  4.17
assign  ((resid   18 and name HB   )) ((resid   52 and name HD1* ))   5.21  3.41  0.00 ! #SUP  2.46
assign  ((resid   18 and name HG1* )) ((resid   28 and name HA   ))   4.21  2.41  0.00 ! #SUP  6.10
assign  ((resid   18 and name HG1* )) ((resid   29 and name HN   ))   5.20  3.40  0.00 ! #SUP  4.19
!assign  ((resid   18 and name HG1* )) ((resid   52 and name HD1* ))   4.79  2.99  0.00 ! #SUP  1.50
assign  ((resid   18 and name HG2* )) ((resid   19 and name HA   ))   4.89  3.09  0.00 ! #SUP  5.67
assign  ((resid   18 and name HG2* )) ((resid   19 and name HN   ))   3.91  2.11  0.00 ! #SUP  5.91
assign  ((resid   18 and name HG2* )) ((resid   27 and name HN   ))   4.78  2.98  0.00 ! #SUP  4.53
assign  ((resid   18 and name HG2* )) ((resid   28 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.28
assign  ((resid   18 and name HN   )) ((resid   18 and name HB   ))   3.71  1.91  0.00 ! #SUP  6.06
!assign  ((resid   18 and name HN   )) ((resid   18 and name HG1* ))   4.24  2.44  0.00 ! #SUP  4.42
assign  ((resid   18 and name HN   )) ((resid   19 and name HN   ))   5.24  3.44  0.00 ! #SUP  3.56
assign  ((resid   18 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  1.50
assign (resid 18 and name HG1#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.92
assign (resid 18 and name HG1#) (resid 12 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.93
assign (resid 18 and name HG1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.91
assign (resid 18 and name HG1#) (resid 44 and name HE#) 5.500 3.7 0.0 !   mhnoesy_final2.90
assign (resid 18 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.89
assign (resid 18 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.80
assign (resid 18 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.76
!assign (resid 19 and name HD2) (resid 19 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.253
!assign (resid 19 and name HD2) (resid 19 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.263
!assign (resid 19 and name HD2) (resid 19 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.264
!assign (resid 19 and name HE1) (resid 19 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.1
!assign (resid 19 and name HE1) (resid 19 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.7
!assign (resid 19 and name HE1) (resid 19 and name HD2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.0
assign  ((resid   19 and name HB1  )) ((resid   20 and name HN   ))   4.20  2.40  0.00 ! #SUP  4.07
assign  ((resid   19 and name HB1  )) ((resid   27 and name HN   ))   4.77  2.97  0.00 ! #SUP  2.31
assign  ((resid   19 and name HB2  )) ((resid   20 and name HN   ))   4.37  2.57  0.00 ! #SUP  4.18
assign  ((resid   19 and name HN   )) ((resid   19 and name HB1  ))   4.17  2.37  0.00 ! #SUP  4.44
assign  ((resid   19 and name HN   )) ((resid   19 and name HB2  ))   3.82  2.02  0.00 ! #SUP  4.64
assign  ((resid   19 and name HN   )) ((resid   20 and name HA   ))   5.18  3.38  0.00 ! #SUP  4.02
assign  ((resid   19 and name HN   )) ((resid   20 and name HN   ))   5.16  3.36  0.00 ! #SUP  6.52
assign  ((resid   19 and name HN   )) ((resid   21 and name HD*  ))   5.34  3.54  0.00 ! #SUP  2.00
assign  ((resid   19 and name HN   )) ((resid   27 and name HA1  ))   5.50  3.70  0.00 ! #SUP  2.38
assign  ((resid   19 and name HN   )) ((resid   27 and name HN   ))   3.85  2.05  0.00 ! #SUP  8.19
assign (resid 19 and name HD2) (resid 17 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.271
assign (resid 19 and name HD2) (resid 17 and name HD#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.269
assign (resid 19 and name HD2) (resid 18 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.273
assign (resid 19 and name HD2) (resid 18 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.274
assign (resid 19 and name HD2) (resid 27 and name HA1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.256
assign (resid 19 and name HD2) (resid 28 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.252
assign (resid 19 and name HD2) (resid 29 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.254
assign (resid 19 and name HD2) (resid 29 and name HG#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.265
assign (resid 19 and name HD2) (resid 6 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.277
assign (resid 19 and name HD2) (resid 6 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.275
assign (resid 19 and name HD2) (resid 9 and name HB) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.262
assign (resid 19 and name HE1) (resid 1 and name HG##) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.18
assign (resid 19 and name HE1) (resid 17 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.2
assign (resid 19 and name HE1) (resid 17 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.15
assign (resid 19 and name HE1) (resid 29 and name HG#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.8
assign (resid 19 and name HE1) (resid 6 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.19
assign (resid 19 and name HE1) (resid 6 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.17
!assign (resid 20 and name HG1#) (resid 1 and name HG##) 6.000 4.2 0.0 !   mhnoesy_final2.82
!assign  ((resid   20 and name HA   )) ((resid   20 and name HG1* ))   3.24  1.44  0.00 ! #SUP  4.84
!assign  ((resid   20 and name HA   )) ((resid   20 and name HG2* ))   3.30  1.50  0.00 ! #SUP  4.68
assign  ((resid   20 and name HA   )) ((resid   21 and name HB1  ))   4.49  2.69  0.00 ! #SUP  4.87
assign  ((resid   20 and name HA   )) ((resid   21 and name HD*  ))   4.77  2.97  0.00 ! #SUP  5.71
assign  ((resid   20 and name HA   )) ((resid   21 and name HN   ))   3.21  1.41  0.00 ! #SUP  5.72
assign  ((resid   20 and name HA   )) ((resid   26 and name HA   ))   3.42  1.62  0.00 ! #SUP  7.31
assign  ((resid   20 and name HA   )) ((resid   27 and name HN   ))   4.35  2.55  0.00 ! #SUP  7.07
assign  ((resid   20 and name HG1* )) ((resid   21 and name HB1  ))   5.50  3.70  0.00 ! #SUP  3.23
assign  ((resid   20 and name HG1* )) ((resid   21 and name HN   ))   3.76  1.96  0.00 ! #SUP  4.08
assign  ((resid   20 and name HG1* )) ((resid   24 and name HA1  ))   4.48  2.68  0.00 ! #SUP  2.24
assign  ((resid   20 and name HG1* )) ((resid   24 and name HA2  ))   4.82  3.02  0.00 ! #SUP  2.24
assign  ((resid   20 and name HG1* )) ((resid   24 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.28
assign  ((resid   20 and name HG1* )) ((resid   25 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.99
assign  ((resid   20 and name HG2* )) ((resid   26 and name HB1  ))   5.46  3.66  0.00 ! #SUP  6.04
!assign  ((resid   20 and name HG2* )) ((resid   59 and name HD1* ))   3.96  2.16  0.00 ! #SUP  0.88
assign  ((resid   20 and name HN   )) ((resid   20 and name HB   ))   3.67  1.87  0.00 ! #SUP  6.02
!assign  ((resid   20 and name HN   )) ((resid   20 and name HG2* ))   3.84  2.04  0.00 ! #SUP  4.93
assign  ((resid   20 and name HN   )) ((resid   21 and name HA   ))   5.50  3.70  0.00 ! #SUP  4.24
assign  ((resid   20 and name HN   )) ((resid   21 and name HD*  ))   5.50  3.70  0.00 ! #SUP  4.93
assign  ((resid   20 and name HN   )) ((resid   21 and name HN   ))   5.41  3.61  0.00 ! #SUP  4.95
assign (resid 20 and name HG1#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.138
assign (resid 20 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.81
assign (resid 20 and name HG1#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.84
assign (resid 20 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.83
assign (resid 20 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.71
assign (resid 20 and name HG2#) (resid 59 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.75
assign (resid 20 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.72
assign (resid 20 and name HG2#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.73
!assign (resid 21 and name HD#) (resid 21 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.147
!assign (resid 21 and name HD#) (resid 21 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.164
!assign (resid 21 and name HD#) (resid 21 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.167
!assign (resid 21 and name HD#) (resid 22 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.18
!assign (resid 21 and name HD#) (resid 23 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.16
!assign (resid 21 and name HD1) (resid 21 and name HN) 2.800 1.0 0.0 !   2dnoesy_aromHN.20
!assign (resid 21 and name HE#) (resid 21 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.146
!assign (resid 21 and name HE#) (resid 21 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.165
!assign (resid 21 and name HE#) (resid 21 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.169
!assign (resid 21 and name HE#) (resid 21 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.24
!assign (resid 21 and name HE1) (resid 21 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.21
!assign  ((resid   21 and name HA   )) ((resid   21 and name HD*  ))   3.84  2.04  0.00 ! #SUP  6.42
assign  ((resid   21 and name HA   )) ((resid   22 and name HA   ))   4.37  2.57  0.00 ! #SUP  5.99
assign  ((resid   21 and name HA   )) ((resid   22 and name HG*  ))   4.80  3.00  0.00 ! #SUP  6.25
assign  ((resid   21 and name HA   )) ((resid   22 and name HN   ))   3.49  1.69  0.00 ! #SUP  8.30
assign  ((resid   21 and name HA   )) ((resid   23 and name HN   ))   4.41  2.61  0.00 ! #SUP  7.72
assign  ((resid   21 and name HB1  )) ((resid   23 and name HN   ))   3.84  2.04  0.00 ! #SUP  6.64
assign  ((resid   21 and name HB1  )) ((resid   24 and name HN   ))   4.64  2.84  0.00 ! #SUP  7.72
assign  ((resid   21 and name HB1  )) ((resid   25 and name HB1  ))   4.82  3.02  0.00 ! #SUP  6.96
assign  ((resid   21 and name HB1  )) ((resid   25 and name HB2  ))   4.65  2.85  0.00 ! #SUP  5.56
assign  ((resid   21 and name HB1  )) ((resid   25 and name HE*  ))   4.27  2.47  0.00 ! #SUP  1.70
assign  ((resid   21 and name HB1  )) ((resid   25 and name HN   ))   4.27  2.47  0.00 ! #SUP  8.94
assign  ((resid   21 and name HB1  )) ((resid   26 and name HN   ))   5.01  3.21  0.00 ! #SUP  4.54
assign  ((resid   21 and name HB2  )) ((resid   22 and name HN   ))   3.80  2.00  0.00 ! #SUP  6.99
assign  ((resid   21 and name HB2  )) ((resid   23 and name HN   ))   3.78  1.98  0.00 ! #SUP  7.48
assign  ((resid   21 and name HB2  )) ((resid   24 and name HN   ))   4.95  3.15  0.00 ! #SUP  7.01
assign  ((resid   21 and name HB2  )) ((resid   25 and name HB2  ))   5.16  3.36  0.00 ! #SUP  4.85
assign  ((resid   21 and name HB2  )) ((resid   25 and name HN   ))   4.49  2.69  0.00 ! #SUP  6.18
!assign  ((resid   21 and name HD*  )) ((resid   22 and name HN   ))   4.43  2.63  0.00 ! #SUP  6.02
!assign  ((resid   21 and name HD*  )) ((resid   23 and name HN   ))   4.80  3.00  0.00 ! #SUP  5.27
!assign  ((resid   21 and name HD*  )) ((resid   25 and name HB2  ))   4.08  2.28  0.00 ! #SUP  4.57
!assign  ((resid   21 and name HD*  )) ((resid   25 and name HN   ))   4.60  2.80  0.00 ! #SUP  6.58
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HA   ))   3.72  1.92  0.00 ! #SUP  6.24
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HB2  ))   4.94  3.14  0.00 ! #SUP  0.02
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HN   ))   4.42  2.62  0.00 ! #SUP  5.78
!assign  ((resid   21 and name HD*  )) ((resid   27 and name HA1  ))   4.26  2.46  0.00 ! #SUP  1.69
!assign  ((resid   21 and name HD*  )) ((resid   27 and name HN   ))   4.01  2.21  0.00 ! #SUP  5.40
!assign  ((resid   21 and name HE*  )) ((resid   27 and name HN   ))   5.16  3.36  0.00 ! #SUP  1.29
assign  ((resid   21 and name HN   )) ((resid   21 and name HB1  ))   3.74  1.94  0.00 ! #SUP  6.32
assign  ((resid   21 and name HN   )) ((resid   21 and name HB2  ))   3.92  2.12  0.00 ! #SUP  5.65
!assign  ((resid   21 and name HN   )) ((resid   21 and name HD*  ))   3.75  1.95  0.00 ! #SUP  6.49
assign  ((resid   21 and name HN   )) ((resid   22 and name HN   ))   4.69  2.89  0.00 ! #SUP  6.04
assign  ((resid   21 and name HN   )) ((resid   23 and name HN   ))   4.87  3.07  0.00 ! #SUP  6.62
assign  ((resid   21 and name HN   )) ((resid   24 and name HN   ))   5.14  3.34  0.00 ! #SUP  7.48
assign  ((resid   21 and name HN   )) ((resid   25 and name HA   ))   5.15  3.35  0.00 ! #SUP  2.73
assign  ((resid   21 and name HN   )) ((resid   25 and name HN   ))   4.85  3.05  0.00 ! #SUP  7.32
assign  ((resid   21 and name HN   )) ((resid   26 and name HA   ))   3.98  2.18  0.00 ! #SUP  5.19
assign (resid 21 and name HD#) (resid 1 and name HG##) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.187
assign (resid 21 and name HD#) (resid 19 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.149
assign (resid 21 and name HD#) (resid 19 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.173
assign (resid 21 and name HD#) (resid 19 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.175
assign (resid 21 and name HD#) (resid 19 and name HD2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.21
assign (resid 21 and name HD#) (resid 20 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.183
assign (resid 21 and name HD#) (resid 25 and name HN) 4.400 2.6 0.0 !   2dnoesy_aromHN.14
assign (resid 21 and name HD#) (resid 26 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.145
assign (resid 21 and name HD#) (resid 26 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.17
assign (resid 21 and name HD#) (resid 27 and name HA1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.151
assign (resid 21 and name HD#) (resid 27 and name HA2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.157
assign (resid 21 and name HD#) (resid 27 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.19
assign (resid 21 and name HD#) (resid 5 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.150
assign (resid 21 and name HD#) (resid 5 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.15
assign (resid 21 and name HD#) (resid 6 and name HG1#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.190
assign (resid 21 and name HD#) (resid 7 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.22
assign (resid 21 and name HE#) (resid 1 and name HG##) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.189
assign (resid 21 and name HE#) (resid 19 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.148
assign (resid 21 and name HE#) (resid 19 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.174
assign (resid 21 and name HE#) (resid 19 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.176
assign (resid 21 and name HE#) (resid 19 and name HD2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.22
assign (resid 21 and name HE#) (resid 26 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.144
assign (resid 21 and name HE#) (resid 27 and name HA1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.152
assign (resid 21 and name HE#) (resid 27 and name HA2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.160
assign (resid 21 and name HE#) (resid 6 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.191
!assign  ((resid   22 and name HA   )) ((resid   22 and name HB*  ))   2.83  1.03  0.00 ! #SUP  4.42
!assign  ((resid   22 and name HA   )) ((resid   22 and name HG*  ))   3.33  1.53  0.00 ! #SUP  5.05
!assign  ((resid   22 and name HB*  )) ((resid   22 and name HG*  ))   2.96  1.16  0.00 ! #SUP  5.45
assign  ((resid   22 and name HB*  )) ((resid   23 and name HN   ))   4.03  2.23  0.00 ! #SUP  7.15
!assign  ((resid   22 and name HD*  )) ((resid   22 and name HE*  ))   2.81  1.01  0.00 ! #SUP  1.31
assign  ((resid   22 and name HG*  )) ((resid   23 and name HN   ))   4.45  2.65  0.00 ! #SUP  7.51
assign  ((resid   22 and name HN   )) ((resid   22 and name HB*  ))   3.40  1.60  0.00 ! #SUP  6.30
!assign  ((resid   22 and name HN   )) ((resid   22 and name HD*  ))   4.80  3.00  0.00 ! #SUP  4.49
!assign  ((resid   22 and name HN   )) ((resid   22 and name HG*  ))   3.88  2.08  0.00 ! #SUP  6.53
assign  ((resid   22 and name HN   )) ((resid   23 and name HN   ))   3.73  1.93  0.00 ! #SUP  9.77
assign  ((resid   22 and name HN   )) ((resid   24 and name HN   ))   5.30  3.50  0.00 ! #SUP  5.13
!assign  ((resid   23 and name HA   )) ((resid   23 and name HB1  ))   2.99  1.19  0.00 ! #SUP  3.00
!assign  ((resid   23 and name HA   )) ((resid   23 and name HB2  ))   2.92  1.12  0.00 ! #SUP  3.00
assign  ((resid   23 and name HA   )) ((resid   25 and name HN   ))   5.17  3.37  0.00 ! #SUP  2.49
assign  ((resid   23 and name HB1  )) ((resid   24 and name HN   ))   4.87  3.07  0.00 ! #SUP  4.22
assign  ((resid   23 and name HB2  )) ((resid   24 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.22
assign  ((resid   23 and name HN   )) ((resid   23 and name HB1  ))   3.67  1.87  0.00 ! #SUP  4.92
assign  ((resid   23 and name HN   )) ((resid   23 and name HB2  ))   3.80  2.00  0.00 ! #SUP  4.92
assign  ((resid   23 and name HN   )) ((resid   24 and name HA1  ))   4.44  2.64  0.00 ! #SUP  4.10
assign  ((resid   23 and name HN   )) ((resid   24 and name HA2  ))   4.58  2.78  0.00 ! #SUP  4.10
!assign  ((resid   23 and name HN   )) ((resid   24 and name HN   ))   3.33  1.53  0.00 ! #SUP  9.01  diagonal
assign  ((resid   23 and name HN   )) ((resid   25 and name HB2  ))   5.50  3.70  0.00 ! #SUP  2.49
assign  ((resid   23 and name HN   )) ((resid   25 and name HN   ))   4.51  2.71  0.00 ! #SUP  5.00
assign  ((resid   24 and name HN   )) ((resid   25 and name HA   ))   5.13  3.33  0.00 ! #SUP  4.26
assign  ((resid   24 and name HN   )) ((resid   25 and name HB2  ))   5.06  3.26  0.00 ! #SUP  4.65
assign  ((resid   24 and name HN   )) ((resid   25 and name HN   ))   3.65  1.85  0.00 ! #SUP  7.36
!assign  ((resid   25 and name HA   )) ((resid   25 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.05
!assign  ((resid   25 and name HA   )) ((resid   25 and name HG1  ))   3.40  1.60  0.00 ! #SUP  6.61
!assign  ((resid   25 and name HA   )) ((resid   25 and name HG2  ))   3.68  1.88  0.00 ! #SUP  6.56
assign  ((resid   25 and name HA   )) ((resid   26 and name HN   ))   2.87  1.07  0.00 ! #SUP  5.39
!assign  ((resid   25 and name HB2  )) ((resid   25 and name HD*  ))   3.54  1.74  0.00 ! #SUP  4.76
!assign  ((resid   25 and name HD*  )) ((resid   25 and name HE*  ))   2.75  0.95  0.00 ! #SUP  3.62
!assign  ((resid   25 and name HG1  )) ((resid   25 and name HD*  ))   2.89  1.09  0.00 ! #SUP  6.31
assign  ((resid   25 and name HG1  )) ((resid   26 and name HN   ))   4.17  2.37  0.00 ! #SUP  5.80
!assign  ((resid   25 and name HG2  )) ((resid   25 and name HD*  ))   2.92  1.12  0.00 ! #SUP  5.31
assign  ((resid   25 and name HG2  )) ((resid   26 and name HN   ))   4.36  2.56  0.00 ! #SUP  5.75
!assign  ((resid   25 and name HN   )) ((resid   25 and name HB1  ))   3.65  1.85  0.00 ! #SUP  7.03
!assign  ((resid   25 and name HN   )) ((resid   25 and name HB2  ))   3.52  1.72  0.00 ! #SUP  7.30
!assign  ((resid   25 and name HN   )) ((resid   25 and name HD*  ))   4.73  2.93  0.00 ! #SUP  7.42
!assign  ((resid   25 and name HN   )) ((resid   25 and name HE*  ))   5.50  3.70  0.00 ! #SUP  5.33
!assign  ((resid   25 and name HN   )) ((resid   25 and name HG1  ))   4.09  2.29  0.00 ! #SUP  8.01
!assign  ((resid   25 and name HN   )) ((resid   25 and name HG2  ))   3.83  2.03  0.00 ! #SUP  7.93
assign  ((resid   25 and name HN   )) ((resid   26 and name HN   ))   4.53  2.73  0.00 ! #SUP  5.68
!assign  ((resid   26 and name HA   )) ((resid   26 and name HG1  ))   3.91  2.11  0.00 ! #SUP  4.99
!assign  ((resid   26 and name HA   )) ((resid   26 and name HG2  ))   3.99  2.19  0.00 ! #SUP  4.18
assign  ((resid   26 and name HA   )) ((resid   27 and name HN   ))   3.20  1.40  0.00 ! #SUP  4.94
!assign  ((resid   26 and name HB1  )) ((resid   26 and name HE#  ))   2.40  0.60  0.00 ! #SUP  3.17
assign  ((resid   26 and name HE#  )) ((resid   59 and name HB   ))   2.66  0.86  0.00 ! #SUP  1.50
assign  ((resid   26 and name HE#  )) ((resid   59 and name HG12 ))   4.64  2.84  0.00 ! #SUP  2.35
assign  ((resid   26 and name HN   )) ((resid   27 and name HN   ))   4.65  2.85  0.00 ! #SUP  3.86
assign (resid 26 and name HE# ) (resid 20 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.49
assign (resid 26 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.47
assign (resid 26 and name HE# ) (resid 59 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.50
assign  ((resid   27 and name HA1  )) ((resid   28 and name HN   ))   3.47  1.67  0.00 ! #SUP  3.13
assign  ((resid   27 and name HA2  )) ((resid   28 and name HN   ))   3.33  1.53  0.00 ! #SUP  3.18
!assign  ((resid   28 and name HA   )) ((resid   28 and name HG2  ))   4.13  2.33  0.00 ! #SUP  4.91
assign  ((resid   28 and name HA   )) ((resid   29 and name HA   ))   5.03  3.23  0.00 ! #SUP  3.99
assign  ((resid   28 and name HA   )) ((resid   29 and name HN   ))   3.30  1.50  0.00 ! #SUP  5.24
assign  ((resid   28 and name HN   )) ((resid   28 and name HB1  ))   3.87  2.07  0.00 ! #SUP  4.41
assign  ((resid   28 and name HN   )) ((resid   28 and name HB2  ))   3.62  1.82  0.00 ! #SUP  4.78
assign (resid 28 and name HE# ) (resid 12 and name HD1#) 5.500 3.7 0.0 !   mhnoesy_final2.54
assign (resid 28 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.53
assign (resid 28 and name HE# ) (resid 18 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.52
assign (resid 28 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.51
!assign  ((resid   29 and name HA   )) ((resid   29 and name HG*  ))   3.93  2.13  0.00 ! #SUP  4.31
assign  ((resid   29 and name HA   )) ((resid   30 and name HN   ))   3.05  1.25  0.00 ! #SUP  4.58
assign  ((resid   29 and name HA   )) ((resid   34 and name HN   ))   4.41  2.61  0.00 ! #SUP  4.20
assign  ((resid   29 and name HA   )) ((resid   35 and name HA   ))   3.84  2.04  0.00 ! #SUP  3.34
assign  ((resid   29 and name HA   )) ((resid   35 and name HB*  ))   4.23  2.43  0.00 ! #SUP  2.57
assign  ((resid   29 and name HA   )) ((resid   36 and name HG*  ))   4.04  2.24  0.00 ! #SUP  2.94
assign  ((resid   29 and name HA   )) ((resid   36 and name HN   ))   3.73  1.93  0.00 ! #SUP  4.61
assign  ((resid   29 and name HB1  )) ((resid   33 and name HA2  ))   4.84  3.04  0.00 ! #SUP  0.75
assign  ((resid   29 and name HG*  )) ((resid   30 and name HN   ))   4.46  2.66  0.00 ! #SUP  4.61
assign  ((resid   29 and name HG*  )) ((resid   33 and name HN   ))   5.04  3.24  0.00 ! #SUP  3.12
assign  ((resid   29 and name HG*  )) ((resid   34 and name HN   ))   5.16  3.36  0.00 ! #SUP  5.57
assign  ((resid   29 and name HG*  )) ((resid   35 and name HN   ))   5.50  3.70  0.00 ! #SUP  1.50
assign  ((resid   29 and name HG*  )) ((resid   36 and name HN   ))   4.98  3.18  0.00 ! #SUP  3.23
assign  ((resid   29 and name HN   )) ((resid   29 and name HB1  ))   3.92  2.12  0.00 ! #SUP  4.49
assign  ((resid   29 and name HN   )) ((resid   29 and name HG*  ))   4.16  2.36  0.00 ! #SUP  5.65
!assign  ((resid   29 and name HN   )) ((resid   30 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.59 diagonal
!assign  ((resid   30 and name HA   )) ((resid   30 and name HD2* ))   5.50  3.70  0.00 ! #SUP  4.22
assign  ((resid   30 and name HA   )) ((resid   31 and name HN   ))   3.57  1.77  0.00 ! #SUP  6.08
assign  ((resid   30 and name HB1  )) ((resid   31 and name HN   ))   3.72  1.92  0.00 ! #SUP  7.64
assign  ((resid   30 and name HB1  )) ((resid   32 and name HE*  ))   4.70  2.90  0.00 ! #SUP  1.23
assign  ((resid   30 and name HB1  )) ((resid   32 and name HN   ))   4.71  2.91  0.00 ! #SUP  5.99
assign  ((resid   30 and name HB1  )) ((resid   34 and name HN   ))   5.22  3.42  0.00 ! #SUP  3.77
assign  ((resid   30 and name HB1  )) ((resid   36 and name HG*  ))   5.35  3.55  0.00 ! #SUP  2.85
assign  ((resid   30 and name HB2  )) ((resid   31 and name HN   ))   3.96  2.16  0.00 ! #SUP  7.51
assign  ((resid   30 and name HD2* )) ((resid   31 and name HN   ))   5.50  3.70  0.00 ! #SUP  9.31
assign  ((resid   30 and name HD2* )) ((resid   32 and name HB1  ))   5.50  3.70  0.00 ! #SUP  3.66
assign  ((resid   30 and name HD2* )) ((resid   32 and name HD*  ))   5.50  3.70  0.00 ! #SUP  3.66
assign  ((resid   30 and name HD2* )) ((resid   32 and name HN   ))   3.65  1.85  0.00 ! #SUP  8.91
assign  ((resid   30 and name HD2* )) ((resid   33 and name HN   ))   4.35  2.55  0.00 ! #SUP  8.59
assign  ((resid   30 and name HD2* )) ((resid   34 and name HB1  ))   4.98  3.18  0.00 ! #SUP  3.20
assign  ((resid   30 and name HD2* )) ((resid   34 and name HB2  ))   5.14  3.34  0.00 ! #SUP  4.15
assign  ((resid   30 and name HD2* )) ((resid   34 and name HG2  ))   5.50  3.70  0.00 ! #SUP  5.03
assign  ((resid   30 and name HD2* )) ((resid   34 and name HN   ))   5.30  3.50  0.00 ! #SUP  9.80
assign  ((resid   30 and name HN   )) ((resid   30 and name HB1  ))   3.88  2.08  0.00 ! #SUP  5.40
assign  ((resid   30 and name HN   )) ((resid   30 and name HB2  ))   4.05  2.25  0.00 ! #SUP  5.54
!assign  ((resid   30 and name HN   )) ((resid   30 and name HD2* ))   5.28  3.48  0.00 ! #SUP  5.40
assign  ((resid   30 and name HN   )) ((resid   31 and name HN   ))   5.15  3.35  0.00 ! #SUP  7.66
assign  ((resid   30 and name HN   )) ((resid   32 and name HN   ))   4.62  2.82  0.00 ! #SUP  7.24
assign  ((resid   30 and name HN   )) ((resid   33 and name HN   ))   4.90  3.10  0.00 ! #SUP  8.02
assign  ((resid   30 and name HN   )) ((resid   34 and name HG2  ))   5.50  3.70  0.00 ! #SUP  3.91
assign  ((resid   30 and name HN   )) ((resid   34 and name HN   ))   3.70  1.90  0.00 ! #SUP 10.00
assign  ((resid   30 and name HN   )) ((resid   36 and name HG*  ))   4.21  2.41  0.00 ! #SUP  4.58
!assign  ((resid   31 and name HA   )) ((resid   31 and name HB2  ))   3.01  1.21  0.00 ! #SUP  6.10
!assign  ((resid   31 and name HB1  )) ((resid   31 and name HE*  ))   4.62  2.82  0.00 ! #SUP  8.49
assign  ((resid   31 and name HB1  )) ((resid   32 and name HE*  ))   5.32  3.52  0.00 ! #SUP  4.33
assign  ((resid   31 and name HB1  )) ((resid   32 and name HN   ))   4.63  2.83  0.00 ! #SUP 10.00
!assign  ((resid   31 and name HB2  )) ((resid   31 and name HE*  ))   5.24  3.44  0.00 ! #SUP  7.86
assign  ((resid   31 and name HB2  )) ((resid   32 and name HN   ))   5.33  3.53  0.00 ! #SUP  9.93
assign  ((resid   31 and name HE*  )) ((resid   32 and name HN   ))   5.43  3.63  0.00 ! #SUP  9.74
!assign  ((resid   31 and name HG1  )) ((resid   31 and name HE*  ))   4.18  2.38  0.00 ! #SUP  7.74
assign  ((resid   31 and name HG1  )) ((resid   32 and name HN   ))   4.38  2.58  0.00 ! #SUP  9.93
!assign  ((resid   31 and name HG2  )) ((resid   31 and name HE*  ))   3.54  1.74  0.00 ! #SUP  7.87
assign  ((resid   31 and name HG2  )) ((resid   32 and name HN   ))   4.25  2.45  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   31 and name HB1  ))   3.67  1.87  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   31 and name HB2  ))   3.87  2.07  0.00 ! #SUP  9.72
!assign  ((resid   31 and name HN   )) ((resid   31 and name HE*  ))   5.18  3.38  0.00 ! #SUP  9.53
!assign  ((resid   31 and name HN   )) ((resid   31 and name HG1  ))   4.15  2.35  0.00 ! #SUP  9.72
!assign  ((resid   31 and name HN   )) ((resid   31 and name HG2  ))   3.79  1.99  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   32 and name HB1  ))   5.50  3.70  0.00 ! #SUP  7.20
assign  ((resid   31 and name HN   )) ((resid   32 and name HD*  ))   5.50  3.70  0.00 ! #SUP  6.58
assign  ((resid   31 and name HN   )) ((resid   32 and name HN   ))   3.85  2.05  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   33 and name HN   ))   4.46  2.66  0.00 ! #SUP  6.05
!assign (resid 32 and name HD#) (resid 32 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.44
!assign (resid 32 and name HD#) (resid 32 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.49
!assign (resid 32 and name HD#) (resid 32 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.51
!assign (resid 32 and name HE#) (resid 32 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.33
!assign (resid 32 and name HE#) (resid 32 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.35
!assign (resid 32 and name HE#) (resid 32 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.36
!assign (resid 32 and name HE#) (resid 32 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.30
!assign (resid 32 and name HE#) (resid 32 and name HZ) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.29
!assign (resid 32 and name HZ) (resid 32 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.43
!assign (resid 32 and name HZ) (resid 32 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.48
!assign (resid 32 and name HZ) (resid 32 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.52
!assign (resid 32 and name HZ) (resid 32 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.28
!assign  ((resid   32 and name HA   )) ((resid   32 and name HB2  ))   2.66  0.86  0.00 ! #SUP  3.50
assign  ((resid   32 and name HB1  )) ((resid   33 and name HN   ))   4.57  2.77  0.00 ! #SUP  7.53
assign  ((resid   32 and name HB1  )) ((resid   34 and name HN   ))   4.38  2.58  0.00 ! #SUP  5.23
assign  ((resid   32 and name HD*  )) ((resid   33 and name HN   ))   5.16  3.36  0.00 ! #SUP  5.48
assign  ((resid   32 and name HD*  )) ((resid   34 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.91
assign  ((resid   32 and name HN   )) ((resid   32 and name HB1  ))   3.51  1.71  0.00 ! #SUP  7.52
assign  ((resid   32 and name HN   )) ((resid   32 and name HD*  ))   4.10  2.30  0.00 ! #SUP  6.79
assign  ((resid   32 and name HN   )) ((resid   33 and name HA2  ))   4.60  2.80  0.00 ! #SUP  3.59
assign  ((resid   32 and name HN   )) ((resid   33 and name HN   ))   3.32  1.52  0.00 ! #SUP  7.44
assign  ((resid   32 and name HN   )) ((resid   34 and name HN   ))   4.14  2.34  0.00 ! #SUP  5.25
assign (resid 32 and name HD#) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.60
assign (resid 32 and name HD#) (resid 31 and name HE#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.54
assign (resid 32 and name HD#) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.62
assign (resid 32 and name HD#) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.64
assign (resid 32 and name HD#) (resid 34 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.50
assign (resid 32 and name HE#) (resid 31 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.38
assign (resid 32 and name HE#) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.40
assign (resid 32 and name HE#) (resid 31 and name HD#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.39
assign (resid 32 and name HE#) (resid 31 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.37
assign (resid 32 and name HE#) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.41
assign (resid 32 and name HE#) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.42
assign (resid 32 and name HZ) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.59
assign (resid 32 and name HZ) (resid 31 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.53
assign (resid 32 and name HZ) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.61
assign (resid 32 and name HZ) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.63
assign  ((resid   33 and name HN   )) ((resid   34 and name HN   ))   3.37  1.57  0.00 ! #SUP  7.46
!assign  ((resid   34 and name HA   )) ((resid   34 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.61
!assign  ((resid   34 and name HA   )) ((resid   34 and name HG1  ))   4.24  2.44  0.00 ! #SUP  6.23
!assign  ((resid   34 and name HA   )) ((resid   34 and name HG2  ))   4.09  2.29  0.00 ! #SUP  6.64
assign  ((resid   34 and name HA   )) ((resid   35 and name HN   ))   2.78  0.98  0.00 ! #SUP  6.63
assign  ((resid   34 and name HB1  )) ((resid   35 and name HN   ))   3.96  2.16  0.00 ! #SUP  5.97
assign  ((resid   34 and name HB2  )) ((resid   35 and name HN   ))   3.64  1.84  0.00 ! #SUP  5.91
assign  ((resid   34 and name HD*  )) ((resid   35 and name HN   ))   4.23  2.43  0.00 ! #SUP  6.24
!assign  ((resid   34 and name HG2  )) ((resid   34 and name HD*  ))   2.63  0.83  0.00 ! #SUP  6.92
!assign  ((resid   34 and name HG2  )) ((resid   34 and name HE*  ))   3.87  2.07  0.00 ! #SUP  3.75
assign  ((resid   34 and name HG2  )) ((resid   35 and name HN   ))   4.45  2.65  0.00 ! #SUP  6.26
assign  ((resid   34 and name HN   )) ((resid   34 and name HB1  ))   3.27  1.47  0.00 ! #SUP  7.13
assign  ((resid   34 and name HN   )) ((resid   34 and name HD*  ))   4.27  2.47  0.00 ! #SUP  7.44
!assign  ((resid   34 and name HN   )) ((resid   34 and name HG1  ))   3.80  2.00  0.00 ! #SUP  7.39
!assign  ((resid   34 and name HN   )) ((resid   34 and name HG2  ))   4.14  2.34  0.00 ! #SUP  7.52
assign  ((resid   34 and name HN   )) ((resid   35 and name HN   ))   4.77  2.97  0.00 ! #SUP  6.06
assign  ((resid   35 and name HN   )) ((resid   35 and name HB*  ))   2.99  1.19  0.00 ! #SUP  4.06
assign  ((resid   35 and name HN   )) ((resid   36 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.03
!assign  ((resid   35 and name HN   )) ((resid   36 and name HN   ))   4.69  2.89  0.00 ! #SUP  3.09 diagonal
!assign  ((resid   36 and name HA   )) ((resid   36 and name HB1  ))   2.99  1.19  0.00 ! #SUP  4.28
!assign  ((resid   36 and name HA   )) ((resid   36 and name HG*  ))   4.27  2.47  0.00 ! #SUP  4.97
assign  ((resid   36 and name HA   )) ((resid   37 and name HD2* ))   4.44  2.64  0.00 ! #SUP  2.78
assign  ((resid   36 and name HA   )) ((resid   37 and name HN   ))   3.22  1.42  0.00 ! #SUP  5.31
!assign  ((resid   36 and name HB2  )) ((resid   36 and name HE#  ))   2.83  1.03  0.00 ! #SUP  2.68
assign  ((resid   36 and name HB2  )) ((resid   37 and name HN   ))   3.74  1.94  0.00 ! #SUP  4.90
!!assign  ((resid   36 and name HG*  )) ((resid   36 and name HE#  ))   2.96  1.16  0.00 ! #SUP  2.68
assign  ((resid   36 and name HG*  )) ((resid   37 and name HN   ))   4.60  2.80  0.00 ! #SUP  4.94
!assign  ((resid   36 and name HN   )) ((resid   36 and name HG*  ))   3.75  1.95  0.00 ! #SUP  5.84
!assign  ((resid   36 and name HN   )) ((resid   37 and name HN   ))   4.91  3.11  0.00 ! #SUP  4.70 diagonal
assign (resid 36 and name HE# ) (resid 28 and name HE# ) 5.500 3.7 0.0 !   mhnoesy_final2.42
assign  ((resid   37 and name HA   )) ((resid   38 and name HN   ))   2.97  1.17  0.00 ! #SUP  3.81
!assign  ((resid   37 and name HB1  )) ((resid   37 and name HD2* ))   4.04  2.24  0.00 ! #SUP  2.91
assign  ((resid   37 and name HB1  )) ((resid   38 and name HN   ))   4.13  2.33  0.00 ! #SUP  4.24
assign  ((resid   37 and name HB2  )) ((resid   38 and name HN   ))   3.90  2.10  0.00 ! #SUP  3.81
assign  ((resid   37 and name HN   )) ((resid   37 and name HB1  ))   3.30  1.50  0.00 ! #SUP  5.69
!assign  ((resid   37 and name HN   )) ((resid   37 and name HD2* ))   5.08  3.28  0.00 ! #SUP  3.59
!assign  ((resid   37 and name HN   )) ((resid   38 and name HN   ))   4.77  2.97  0.00 ! #SUP  4.03 diagonal
assign  ((resid   38 and name HA   )) ((resid   39 and name HA   ))   4.40  2.60  0.00 ! #SUP  6.30
assign  ((resid   38 and name HA   )) ((resid   39 and name HD1  ))   3.39  1.59  0.00 ! #SUP  8.56
assign  ((resid   38 and name HA   )) ((resid   39 and name HD2  ))   3.61  1.81  0.00 ! #SUP  8.24
assign  ((resid   38 and name HA   )) ((resid   39 and name HG1  ))   4.63  2.83  0.00 ! #SUP  6.22
assign  ((resid   38 and name HA   )) ((resid   39 and name HG2  ))   4.79  2.99  0.00 ! #SUP  6.91
assign  ((resid   38 and name HG1  )) ((resid   39 and name HD1  ))   4.53  2.73  0.00 ! #SUP  7.27
assign  ((resid   38 and name HG1  )) ((resid   39 and name HD2  ))   5.35  3.55  0.00 ! #SUP  7.04
assign  ((resid   38 and name HG1  )) ((resid   39 and name HG2  ))   4.97  3.17  0.00 ! #SUP  5.65
!assign  ((resid   38 and name HG2  )) ((resid   38 and name HE#  ))   4.06  2.26  0.00 ! #SUP  2.91
assign  ((resid   38 and name HG2  )) ((resid   39 and name HD1  ))   4.87  3.07  0.00 ! #SUP  5.54
assign  ((resid   38 and name HN   )) ((resid   38 and name HB1  ))   3.60  1.80  0.00 ! #SUP  5.83
assign  ((resid   38 and name HN   )) ((resid   38 and name HB2  ))   3.45  1.65  0.00 ! #SUP  5.35
!assign  ((resid   38 and name HN   )) ((resid   38 and name HG1  ))   4.54  2.74  0.00 ! #SUP  6.88
assign  ((resid   38 and name HN   )) ((resid   39 and name HD1  ))   5.22  3.42  0.00 ! #SUP  5.65
assign  ((resid   38 and name HN   )) ((resid   39 and name HD2  ))   4.94  3.14  0.00 ! #SUP  5.65
assign (resid 38 and name HE# ) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.46
assign (resid 38 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.45
assign (resid 38 and name HE# ) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.43
assign (resid 38 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.44
assign  ((resid   39 and name HA   )) ((resid   40 and name HN   ))   2.86  1.06  0.00 ! #SUP  4.79
assign  ((resid   39 and name HB1  )) ((resid   40 and name HN   ))   4.05  2.25  0.00 ! #SUP  5.06
assign  ((resid   39 and name HB2  )) ((resid   40 and name HN   ))   3.89  2.09  0.00 ! #SUP  5.14
!assign  ((resid   40 and name HA   )) ((resid   40 and name HG2  ))   3.96  2.16  0.00 ! #SUP  5.61
assign  ((resid   40 and name HA   )) ((resid   41 and name HA1  ))   5.11  3.31  0.00 ! #SUP  4.31
assign  ((resid   40 and name HA   )) ((resid   41 and name HA2  ))   4.83  3.03  0.00 ! #SUP  5.56
assign  ((resid   40 and name HA   )) ((resid   41 and name HN   ))   3.64  1.84  0.00 ! #SUP  8.00
!assign  ((resid   40 and name HA   )) ((resid   42 and name HN   ))   4.63  2.83  0.00 ! #SUP  3.20
assign  ((resid   40 and name HB1  )) ((resid   41 and name HN   ))   4.82  3.02  0.00 ! #SUP  5.62
assign  ((resid   40 and name HB2  )) ((resid   41 and name HN   ))   4.53  2.73  0.00 ! #SUP  5.62
assign  ((resid   40 and name HG1  )) ((resid   41 and name HA2  ))   5.45  3.65  0.00 ! #SUP  3.66
assign  ((resid   40 and name HG1  )) ((resid   41 and name HN   ))   4.98  3.18  0.00 ! #SUP  5.72
assign  ((resid   40 and name HG1  )) ((resid   55 and name HA   ))   4.31  2.51  0.00 ! #SUP  2.53
assign  ((resid   40 and name HG1  )) ((resid   56 and name HN   ))   5.31  3.51  0.00 ! #SUP  3.33
assign  ((resid   40 and name HG2  )) ((resid   41 and name HN   ))   4.92  3.12  0.00 ! #SUP  5.59
assign  ((resid   40 and name HG2  )) ((resid   55 and name HA   ))   3.95  2.15  0.00 ! #SUP  3.73
assign  ((resid   40 and name HG2  )) ((resid   55 and name HD2  ))   5.08  3.28  0.00 ! #SUP  1.65
assign  ((resid   40 and name HG2  )) ((resid   56 and name HN   ))   4.81  3.01  0.00 ! #SUP  4.50
assign  ((resid   40 and name HN   )) ((resid   40 and name HB1  ))   3.49  1.69  0.00 ! #SUP  5.69
assign  ((resid   40 and name HN   )) ((resid   40 and name HB2  ))   3.30  1.50  0.00 ! #SUP  5.68
!assign  ((resid   40 and name HN   )) ((resid   40 and name HG2  ))   4.69  2.89  0.00 ! #SUP  5.82
assign  ((resid   40 and name HN   )) ((resid   41 and name HN   ))   4.67  2.87  0.00 ! #SUP  4.96
assign  ((resid   41 and name HA1  )) ((resid   53 and name HD1* ))   4.42  2.62  0.00 ! #SUP  3.84
assign  ((resid   41 and name HA1  )) ((resid   53 and name HG11 ))   5.05  3.25  0.00 ! #SUP  4.12
assign  ((resid   41 and name HA2  )) ((resid   42 and name HG2  ))   5.50  3.70  0.00 ! #SUP  3.90
assign  ((resid   41 and name HA2  )) ((resid   53 and name HD1* ))   4.45  2.65  0.00 ! #SUP  4.95
assign  ((resid   41 and name HA2  )) ((resid   53 and name HG11 ))   5.37  3.57  0.00 ! #SUP  5.82
assign  ((resid   41 and name HA2  )) ((resid   53 and name HG12 ))   5.46  3.66  0.00 ! #SUP  4.00
assign  ((resid   41 and name HN   )) ((resid   42 and name HN   ))   4.17  2.37  0.00 ! #SUP  4.68
assign  ((resid   41 and name HN   )) ((resid   53 and name HD1* ))   5.20  3.40  0.00 ! #SUP  5.90
assign  ((resid   41 and name HN   )) ((resid   53 and name HG11 ))   5.50  3.70  0.00 ! #SUP  6.26
assign  ((resid   41 and name HN   )) ((resid   53 and name HG12 ))   5.50  3.70  0.00 ! #SUP  4.93
!assign  ((resid   41 and name HN   )) ((resid   54 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.93 diagonal
!assign  ((resid   42 and name HA   )) ((resid   42 and name HD*  ))   4.24  2.44  0.00 ! #SUP  6.50
!assign  ((resid   42 and name HA   )) ((resid   42 and name HE*  ))   4.38  2.58  0.00 ! #SUP  6.65
!assign  ((resid   42 and name HA   )) ((resid   42 and name HG1  ))   4.04  2.24  0.00 ! #SUP  7.22
!assign  ((resid   42 and name HA   )) ((resid   42 and name HG2  ))   3.87  2.07  0.00 ! #SUP  8.30
assign  ((resid   42 and name HA   )) ((resid   43 and name HG1* ))   4.35  2.55  0.00 ! #SUP  5.18
assign  ((resid   42 and name HA   )) ((resid   43 and name HN   ))   3.29  1.49  0.00 ! #SUP  7.68
assign  ((resid   42 and name HE*  )) ((resid   43 and name HN   ))   5.19  3.39  0.00 ! #SUP  5.28
assign  ((resid   42 and name HG1  )) ((resid   42 and name HE*  ))   4.00  2.20  0.00 ! #SUP  5.09
!assign  ((resid   42 and name HG2  )) ((resid   42 and name HE*  ))   3.71  1.91  0.00 ! #SUP  5.99
assign  ((resid   42 and name HG2  )) ((resid   43 and name HN   ))   5.20  3.40  0.00 ! #SUP  6.47
assign  ((resid   42 and name HN   )) ((resid   42 and name HG1  ))   5.50  3.70  0.00 ! #SUP  5.84
!assign  ((resid   42 and name HN   )) ((resid   42 and name HG2  ))   5.06  3.26  0.00 ! #SUP  7.39
assign  ((resid   42 and name HN   )) ((resid   43 and name HN   ))   5.14  3.34  0.00 ! #SUP  5.12
assign  ((resid   42 and name HN   )) ((resid   53 and name HA   ))   5.35  3.55  0.00 ! #SUP  3.84
assign  ((resid   42 and name HN   )) ((resid   53 and name HD1* ))   4.88  3.08  0.00 ! #SUP  7.66
assign  ((resid   42 and name HN   )) ((resid   53 and name HG11 ))   5.13  3.33  0.00 ! #SUP  8.19
assign  ((resid   42 and name HN   )) ((resid   53 and name HG12 ))   4.82  3.02  0.00 ! #SUP  6.53
assign  ((resid   42 and name HN   )) ((resid   54 and name HN   ))   5.36  3.56  0.00 ! #SUP  4.84
!assign  ((resid   43 and name HA   )) ((resid   43 and name HG2* ))   3.74  1.94  0.00 ! #SUP  4.70
assign  ((resid   43 and name HA   )) ((resid   44 and name HN   ))   3.59  1.79  0.00 ! #SUP  4.22
assign  ((resid   43 and name HA   )) ((resid   52 and name HN   ))   5.27  3.47  0.00 ! #SUP  3.87
assign  ((resid   43 and name HA   )) ((resid   53 and name HA   ))   3.61  1.81  0.00 ! #SUP  4.52
assign  ((resid   43 and name HA   )) ((resid   53 and name HB   ))   4.12  2.32  0.00 ! #SUP  4.58
assign  ((resid   43 and name HA   )) ((resid   53 and name HG11 ))   5.38  3.58  0.00 ! #SUP  2.78
assign  ((resid   43 and name HG1* )) ((resid   44 and name HN   ))   4.70  2.90  0.00 ! #SUP  4.69
assign  ((resid   43 and name HG2* )) ((resid   44 and name HB2  ))   5.39  3.59  0.00 ! #SUP  4.52
assign  ((resid   43 and name HG2* )) ((resid   44 and name HN   ))   4.34  2.54  0.00 ! #SUP  6.78
assign  ((resid   43 and name HG2* )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.65
assign  ((resid   43 and name HG2* )) ((resid   51 and name HA   ))   5.37  3.57  0.00 ! #SUP  3.86
assign  ((resid   43 and name HG2* )) ((resid   51 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.13
assign  ((resid   43 and name HG2* )) ((resid   52 and name HN   ))   5.24  3.44  0.00 ! #SUP  6.18
assign  ((resid   43 and name HN   )) ((resid   43 and name HB   ))   3.48  1.68  0.00 ! #SUP  4.98
!assign  ((resid   43 and name HN   )) ((resid   43 and name HG1* ))   3.91  2.11  0.00 ! #SUP  6.47
assign  ((resid   43 and name HN   )) ((resid   53 and name HA   ))   5.50  3.70  0.00 ! added manually
!assign  ((resid   43 and name HN   )) ((resid   53 and name HB   ))   5.50  3.70  0.00 ! #SUP  4.70
assign  ((resid   44 and name HA   )) ((resid   45 and name HN   ))   3.13  1.33  0.00 ! #SUP  4.86
assign  ((resid   44 and name HA   )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.50
assign  ((resid   44 and name HB1  )) ((resid   45 and name HN   ))   4.30  2.50  0.00 ! #SUP  6.15
assign  ((resid   44 and name HB1  )) ((resid   52 and name HD1* ))   5.06  3.26  0.00 ! #SUP  2.14
assign  ((resid   44 and name HG*  )) ((resid   45 and name HN   ))   4.29  2.49  0.00 ! #SUP  5.19
assign  ((resid   44 and name HG*  )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.50
assign  ((resid   44 and name HN   )) ((resid   44 and name HB2  ))   4.08  2.28  0.00 ! #SUP  5.33
!assign  ((resid   44 and name HN   )) ((resid   44 and name HG*  ))   4.26  2.46  0.00 ! #SUP  5.67
assign  ((resid   44 and name HN   )) ((resid   45 and name HN   ))   5.43  3.63  0.00 ! #SUP  5.48
assign  ((resid   44 and name HN   )) ((resid   51 and name HA   ))   5.50  3.70  0.00 ! #SUP  4.57
assign  ((resid   44 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  4.88
assign  ((resid   44 and name HN   )) ((resid   52 and name HG12 ))   5.14  3.34  0.00 ! #SUP  6.62
assign  ((resid   44 and name HN   )) ((resid   52 and name HN   ))   4.71  2.91  0.00 ! #SUP 10.00
assign  ((resid   44 and name HN   )) ((resid   53 and name HA   ))   4.89  3.09  0.00 ! #SUP  5.22
assign (resid 44 and name HE# ) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.60
assign (resid 44 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.59
assign (resid 44 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.57
assign (resid 44 and name HE# ) (resid 59 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.61
assign  ((resid   45 and name HA   )) ((resid   46 and name HN   ))   3.35  1.55  0.00 ! #SUP  5.25
assign  ((resid   45 and name HA   )) ((resid   51 and name HN   ))   5.32  3.52  0.00 ! #SUP  2.48
assign  ((resid   45 and name HA   )) ((resid   52 and name HN   ))   4.72  2.92  0.00 ! #SUP  3.77
assign  ((resid   45 and name HB1  )) ((resid   46 and name HN   ))   4.54  2.74  0.00 ! #SUP  5.27
assign  ((resid   45 and name HB2  )) ((resid   46 and name HN   ))   4.47  2.67  0.00 ! #SUP  5.25
assign  ((resid   45 and name HG1  )) ((resid   46 and name HN   ))   5.09  3.29  0.00 ! #SUP  5.27
assign  ((resid   45 and name HG2  )) ((resid   46 and name HN   ))   4.83  3.03  0.00 ! #SUP  4.68
assign  ((resid   45 and name HG2  )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  1.22
assign  ((resid   45 and name HG2  )) ((resid   51 and name HE*  ))   4.28  2.48  0.00 ! #SUP  0.75
assign  ((resid   45 and name HG2  )) ((resid   51 and name HG1  ))   4.85  3.05  0.00 ! #SUP  2.00
assign  ((resid   45 and name HN   )) ((resid   45 and name HB1  ))   3.38  1.58  0.00 ! #SUP  5.63
assign  ((resid   45 and name HN   )) ((resid   45 and name HB2  ))   3.84  2.04  0.00 ! #SUP  5.49
!assign  ((resid   45 and name HN   )) ((resid   45 and name HG1  ))   4.18  2.38  0.00 ! #SUP  5.49
assign  ((resid   45 and name HN   )) ((resid   51 and name HA   ))   5.47  3.67  0.00 ! #SUP  3.62
!assign  ((resid   46 and name HA   )) ((resid   46 and name HB   ))   2.40  0.60  0.00 ! #SUP  2.21
!assign  ((resid   46 and name HA   )) ((resid   46 and name HG2* ))   4.06  2.26  0.00 ! #SUP  3.31
assign  ((resid   46 and name HA   )) ((resid   47 and name HG*  ))   4.26  2.46  0.00 ! #SUP  4.29
assign  ((resid   46 and name HA   )) ((resid   48 and name HN   ))   4.59  2.79  0.00 ! #SUP  4.70
assign  ((resid   46 and name HB   )) ((resid   47 and name HN   ))   3.78  1.98  0.00 ! #SUP  4.51
assign  ((resid   46 and name HB   )) ((resid   48 and name HN   ))   3.88  2.08  0.00 ! #SUP  5.14
assign  ((resid   46 and name HB   )) ((resid   49 and name HN   ))   4.98  3.18  0.00 ! #SUP  4.41
assign  ((resid   46 and name HG2* )) ((resid   47 and name HN   ))   4.59  2.79  0.00 ! #SUP  4.85
assign  ((resid   46 and name HG2* )) ((resid   48 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.14
assign  ((resid   46 and name HG2* )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.41
assign  ((resid   46 and name HG2* )) ((resid   51 and name HA   ))   4.68  2.88  0.00 ! #SUP  3.61
!assign  ((resid   46 and name HG2* )) ((resid   52 and name HD1* ))   4.35  2.55  0.00 ! #SUP  1.37
!assign  ((resid   46 and name HN   )) ((resid   46 and name HG2* ))   3.96  2.16  0.00 ! #SUP  3.40
!assign  ((resid   46 and name HN   )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.94
assign  ((resid   46 and name HN   )) ((resid   50 and name HN   ))   4.48  2.68  0.00 ! #SUP  4.98
assign  ((resid   46 and name HN   )) ((resid   51 and name HA   ))   4.22  2.42  0.00 ! #SUP  4.63
assign  ((resid   46 and name HN   )) ((resid   51 and name HG1  ))   5.50  3.70  0.00 ! #SUP  3.13
assign (resid 46 and name HG2#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.99
assign (resid 46 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.97
assign (resid 46 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.98
!assign  ((resid   47 and name HA   )) ((resid   47 and name HD*  ))   4.06  2.26  0.00 ! #SUP  4.47
!assign  ((resid   47 and name HA   )) ((resid   47 and name HG*  ))   3.38  1.58  0.00 ! #SUP  5.47
!assign  ((resid   47 and name HB1  )) ((resid   47 and name HD*  ))   3.49  1.69  0.00 ! #SUP  4.43
!assign  ((resid   47 and name HB1  )) ((resid   47 and name HG*  ))   2.73  0.93  0.00 ! #SUP  5.43
assign  ((resid   47 and name HB1  )) ((resid   48 and name HN   ))   4.10  2.30  0.00 ! #SUP  6.39
!assign  ((resid   47 and name HB2  )) ((resid   47 and name HD*  ))   3.80  2.00  0.00 ! #SUP  5.06
assign  ((resid   47 and name HB2  )) ((resid   47 and name HG*  ))   2.88  1.08  0.00 ! #SUP  6.08
assign  ((resid   47 and name HB2  )) ((resid   48 and name HB2  ))   4.47  2.67  0.00 ! #SUP  4.30
assign  ((resid   47 and name HB2  )) ((resid   48 and name HN   ))   4.32  2.52  0.00 ! #SUP  7.70
assign  ((resid   47 and name HG*  )) ((resid   48 and name HN   ))   4.60  2.80  0.00 ! #SUP  6.89
assign  ((resid   47 and name HN   )) ((resid   47 and name HB1  ))   3.97  2.17  0.00 ! #SUP  6.35
assign  ((resid   47 and name HN   )) ((resid   47 and name HB2  ))   3.91  2.11  0.00 ! #SUP  7.25
!assign  ((resid   47 and name HN   )) ((resid   47 and name HD*  ))   5.29  3.49  0.00 ! #SUP  5.64
!assign  ((resid   47 and name HN   )) ((resid   47 and name HG*  ))   4.19  2.39  0.00 ! #SUP  6.92
assign  ((resid   47 and name HN   )) ((resid   48 and name HN   ))   4.03  2.23  0.00 ! #SUP  9.85
!assign  ((resid   47 and name HN   )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.74 peak ?
!assign  ((resid   47 and name HN   )) ((resid   50 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.95 peak ?
assign  ((resid   48 and name HA   )) ((resid   50 and name HN   ))   5.20  3.40  0.00 ! #SUP  3.33
assign  ((resid   48 and name HB1  )) ((resid   49 and name HN   ))   5.18  3.38  0.00 ! #SUP  4.28
assign  ((resid   48 and name HB2  )) ((resid   49 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.27
assign  ((resid   48 and name HN   )) ((resid   48 and name HB2  ))   4.04  2.24  0.00 ! #SUP  5.90
assign  ((resid   48 and name HN   )) ((resid   49 and name HA2  ))   5.14  3.34  0.00 ! #SUP  3.82
assign  ((resid   48 and name HN   )) ((resid   49 and name HN   ))   3.79  1.99  0.00 ! #SUP  7.78
assign  ((resid   48 and name HN   )) ((resid   50 and name HN   ))   4.52  2.72  0.00 ! #SUP  4.76
assign  ((resid   49 and name HN   )) ((resid   50 and name HA   ))   5.00  3.20  0.00 ! #SUP  3.14
assign  ((resid   49 and name HN   )) ((resid   50 and name HG2* ))   5.48  3.68  0.00 ! #SUP  3.14
!assign  ((resid   49 and name HN   )) ((resid   50 and name HN   ))   3.66  1.86  0.00 ! #SUP  6.29 diagonal
!assign  ((resid   50 and name HA   )) ((resid   50 and name HG2* ))   3.66  1.86  0.00 ! #SUP  4.00
assign  ((resid   50 and name HB   )) ((resid   51 and name HN   ))   4.47  2.67  0.00 ! #SUP  5.88
assign  ((resid   50 and name HG2* )) ((resid   51 and name HN   ))   4.12  2.32  0.00 ! #SUP  5.88
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HD1  ))   4.61  2.81  0.00 ! #SUP  1.50
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HD2  ))   4.67  2.87  0.00 ! #SUP  1.50
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HG2  ))   5.50  3.70  0.00 ! #SUP  1.50
assign  ((resid   50 and name HN   )) ((resid   50 and name HB   ))   3.84  2.04  0.00 ! #SUP  4.15
!assign  ((resid   50 and name HN   )) ((resid   50 and name HG2* ))   3.94  2.14  0.00 ! #SUP  4.62
assign  ((resid   50 and name HN   )) ((resid   51 and name HN   ))   5.13  3.33  0.00 ! #SUP  4.80
assign (resid 50 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.70
assign  ((resid   51 and name HG1  )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.54
assign  ((resid   51 and name HG2  )) ((resid   52 and name HN   ))   5.46  3.66  0.00 ! #SUP  6.54
assign  ((resid   51 and name HN   )) ((resid   51 and name HB1  ))   3.89  2.09  0.00 ! #SUP  6.61
!assign  ((resid   51 and name HN   )) ((resid   51 and name HE*  ))   5.50  3.70  0.00 ! #SUP  4.96
!assign  ((resid   51 and name HN   )) ((resid   51 and name HG1  ))   4.94  3.14  0.00 ! #SUP  7.43
!assign  ((resid   51 and name HN   )) ((resid   51 and name HG2  ))   4.82  3.02  0.00 ! #SUP  7.43
assign  ((resid   51 and name HN   )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.68
!assign  ((resid   52 and name HA   )) ((resid   52 and name HD1* ))   4.87  3.07  0.00 ! #SUP  6.53
assign  ((resid   52 and name HA   )) ((resid   53 and name HG2* ))   5.08  3.28  0.00 ! #SUP  4.05
assign  ((resid   52 and name HA   )) ((resid   60 and name HE#  ))   4.44  2.64  0.00 ! #SUP  3.00
assign  ((resid   52 and name HA   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.00
assign  ((resid   52 and name HA   )) ((resid   61 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.06
assign  ((resid   52 and name HA   )) ((resid   62 and name HN   ))   5.00  3.20  0.00 ! by hand
!assign  ((resid   52 and name HB   )) ((resid   52 and name HD1* ))   4.06  2.26  0.00 ! #SUP  5.98
assign  ((resid   52 and name HB   )) ((resid   53 and name HN   ))   3.82  2.02  0.00 ! #SUP  6.11
assign  ((resid   52 and name HB   )) ((resid   59 and name HG12 ))   5.24  3.44  0.00 ! #SUP  1.81
assign  ((resid   52 and name HB   )) ((resid   59 and name HG2* ))   3.96  2.16  0.00 ! #SUP  1.76
!assign  ((resid   52 and name HB   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.36
assign  ((resid   52 and name HD1* )) ((resid   53 and name HN   ))   5.32  3.52  0.00 ! #SUP  6.03
assign  ((resid   52 and name HG12 )) ((resid   53 and name HN   ))   5.12  3.32  0.00 ! #SUP  6.24
!assign  ((resid   52 and name HN   )) ((resid   52 and name HD1* ))   5.13  3.33  0.00 ! #SUP  7.04
assign  ((resid   52 and name HN   )) ((resid   60 and name HE#  ))   5.50  3.70  0.00 ! #SUP  3.17
assign  ((resid   52 and name HN   )) ((resid   60 and name HZ   ))   5.50  3.70  0.00 ! #SUP  0.75
assign (resid 52 and name HD1#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.15
assign (resid 52 and name HD1#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.13
assign (resid 52 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.11
assign (resid 52 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.10
assign (resid 52 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.9
assign (resid 52 and name HD1#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.12
assign (resid 52 and name HD1#) (resid 52 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.14
assign (resid 52 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.7
assign (resid 52 and name HD1#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.6
assign (resid 52 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.32
assign (resid 52 and name HG2#) (resid 50 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.31
assign (resid 52 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.34
assign (resid 52 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.30
!assign  ((resid   53 and name HA   )) ((resid   53 and name HG12 ))   3.85  2.05  0.00 ! #SUP  4.99
assign  ((resid   53 and name HA   )) ((resid   60 and name HE#  ))   5.34  3.54  0.00 ! #SUP  0.84
assign  ((resid   53 and name HB   )) ((resid   54 and name HN   ))   4.86  3.06  0.00 ! #SUP  5.67
assign  ((resid   53 and name HD1* )) ((resid   55 and name HB1  ))   4.62  2.82  0.00 ! #SUP  4.67
assign  ((resid   53 and name HD1* )) ((resid   55 and name HB2  ))   4.58  2.78  0.00 ! #SUP  4.68
assign  ((resid   53 and name HD1* )) ((resid   55 and name HD1  ))   5.17  3.37  0.00 ! #SUP  5.23
assign  ((resid   53 and name HD1* )) ((resid   55 and name HD2  ))   5.50  3.70  0.00 ! #SUP  4.17
assign  ((resid   53 and name HD1* )) ((resid   55 and name HG*  ))   4.38  2.58  0.00 ! #SUP  4.68
assign  ((resid   53 and name HD1* )) ((resid   56 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.30
assign  ((resid   53 and name HG11 )) ((resid   54 and name HN   ))   4.82  3.02  0.00 ! #SUP  5.64
assign  ((resid   53 and name HG12 )) ((resid   54 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.77
assign  ((resid   53 and name HG2* )) ((resid   60 and name HB1  ))   4.26  2.46  0.00 ! #SUP  4.22
assign  ((resid   53 and name HG2* )) ((resid   60 and name HB2  ))   3.97  2.17  0.00 ! #SUP  3.99
assign  ((resid   53 and name HG2* )) ((resid   61 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.25
!assign  ((resid   53 and name HN   )) ((resid   53 and name HG2* ))   4.20  2.40  0.00 ! #SUP  4.92
assign  ((resid   53 and name HN   )) ((resid   59 and name HA   ))   5.50  3.70  0.00 ! #SUP  3.74
assign  ((resid   53 and name HN   )) ((resid   60 and name HB1  ))   5.18  3.38  0.00 ! #SUP  4.28
assign  ((resid   53 and name HN   )) ((resid   60 and name HB2  ))   5.04  3.24  0.00 ! #SUP  4.73
assign  ((resid   53 and name HN   )) ((resid   60 and name HD#  ))   4.70  2.90  0.00 ! #SUP  3.18
assign  ((resid   53 and name HN   )) ((resid   60 and name HN   ))   4.82  3.02  0.00 ! #SUP  6.61
assign (resid 53 and name HD1#) (resid 43 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.18
assign (resid 53 and name HD1#) (resid 53 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.19
assign (resid 53 and name HD1#) (resid 53 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.17
assign (resid 53 and name HG2#) (resid 43 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.24
assign (resid 53 and name HG2#) (resid 43 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.23
assign (resid 53 and name HG2#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.21
assign (resid 53 and name HG2#) (resid 53 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.26
assign (resid 53 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.22
assign (resid 53 and name HG2#) (resid 62 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.25
assign  ((resid   54 and name HA   )) ((resid   55 and name HN   ))   3.61  1.81  0.00 ! #SUP  4.60
assign  ((resid   54 and name HA   )) ((resid   58 and name HB*  ))   4.66  2.86  0.00 ! #SUP  1.93
assign  ((resid   54 and name HA   )) ((resid   58 and name HN   ))   5.00  3.20  0.00 ! #SUP  4.37
assign  ((resid   54 and name HA   )) ((resid   59 and name HA   ))   3.93  2.13  0.00 ! #SUP  4.87
assign  ((resid   54 and name HA   )) ((resid   59 and name HD1* ))   4.42  2.62  0.00 ! #SUP  7.40
assign  ((resid   54 and name HB2  )) ((resid   55 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.85
assign  ((resid   54 and name HB2  )) ((resid   59 and name HD1* ))   4.98  3.18  0.00 ! #SUP  3.00
assign  ((resid   54 and name HG2  )) ((resid   57 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.98
assign  ((resid   54 and name HG2  )) ((resid   58 and name HN   ))   5.13  3.33  0.00 ! #SUP  5.40
assign  ((resid   54 and name HG2  )) ((resid   59 and name HA   ))   4.47  2.67  0.00 ! #SUP  3.04
assign  ((resid   54 and name HG2  )) ((resid   59 and name HD1* ))   4.94  3.14  0.00 ! #SUP  5.02
assign  ((resid   54 and name HN   )) ((resid   54 and name HG1  ))   5.47  3.67  0.00 ! #SUP  4.46
!assign  ((resid   55 and name HA   )) ((resid   55 and name HD1  ))   4.46  2.66  0.00 ! #SUP  6.78
!assign  ((resid   55 and name HA   )) ((resid   55 and name HD2  ))   4.20  2.40  0.00 ! #SUP  6.78
!assign  ((resid   55 and name HA   )) ((resid   55 and name HE*  ))   4.61  2.81  0.00 ! #SUP  6.89
!assign  ((resid   55 and name HA   )) ((resid   55 and name HG*  ))   3.93  2.13  0.00 ! #SUP  8.31
assign  ((resid   55 and name HA   )) ((resid   56 and name HA1  ))   5.34  3.54  0.00 ! #SUP  5.50
assign  ((resid   55 and name HA   )) ((resid   56 and name HA2  ))   4.76  2.96  0.00 ! #SUP  5.02
!assign  ((resid   55 and name HB1  )) ((resid   55 and name HE*  ))   4.94  3.14  0.00 ! #SUP  6.22
assign  ((resid   55 and name HB1  )) ((resid   56 and name HN   ))   4.98  3.18  0.00 ! #SUP  7.42
!assign  ((resid   55 and name HB2  )) ((resid   55 and name HE*  ))   4.99  3.19  0.00 ! #SUP  6.21
assign  ((resid   55 and name HB2  )) ((resid   56 and name HN   ))   5.45  3.65  0.00 ! #SUP  7.42
assign  ((resid   55 and name HD1  )) ((resid   56 and name HN   ))   5.34  3.54  0.00 ! #SUP  6.86
assign  ((resid   55 and name HD2  )) ((resid   56 and name HN   ))   5.01  3.21  0.00 ! #SUP  6.81
!assign  ((resid   55 and name HG*  )) ((resid   55 and name HD1  ))   2.97  1.17  0.00 ! #SUP  6.50
!assign  ((resid   55 and name HG*  )) ((resid   55 and name HE*  ))   3.60  1.80  0.00 ! #SUP  6.58
assign  ((resid   55 and name HG*  )) ((resid   56 and name HA1  ))   5.50  3.70  0.00 ! #SUP  4.33
assign  ((resid   55 and name HG*  )) ((resid   56 and name HN   ))   4.49  2.69  0.00 ! #SUP  8.53
!assign  ((resid   55 and name HN   )) ((resid   55 and name HG*  ))   5.22  3.42  0.00 ! #SUP  6.46
assign  ((resid   55 and name HN   )) ((resid   56 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.86
assign  ((resid   55 and name HN   )) ((resid   57 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.94
assign  ((resid   55 and name HN   )) ((resid   58 and name HN   ))   4.33  2.53  0.00 ! #SUP  5.47
assign  ((resid   55 and name HN   )) ((resid   59 and name HD1* ))   5.50  3.70  0.00 ! #SUP  3.40
assign  ((resid   56 and name HA2  )) ((resid   58 and name HN   ))   4.86  3.06  0.00 ! #SUP  3.53
assign  ((resid   56 and name HN   )) ((resid   57 and name HN   ))   4.51  2.71  0.00 ! #SUP  5.15
assign  ((resid   56 and name HN   )) ((resid   58 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.28
assign  ((resid   57 and name HB1  )) ((resid   58 and name HN   ))   4.88  3.08  0.00 ! #SUP  5.84
!assign  ((resid   57 and name HB2  )) ((resid   57 and name HD2* ))   4.04  2.24  0.00 ! #SUP  3.44
assign  ((resid   57 and name HB2  )) ((resid   58 and name HN   ))   4.76  2.96  0.00 ! #SUP  5.84
assign  ((resid   57 and name HD2* )) ((resid   58 and name HN   ))   4.06  2.26  0.00 ! #SUP  5.11
!assign  ((resid   57 and name HN   )) ((resid   57 and name HD2* ))   5.50  3.70  0.00 ! #SUP  4.97
assign  ((resid   57 and name HN   )) ((resid   58 and name HB*  ))   5.35  3.55  0.00 ! #SUP  4.33
assign  ((resid   57 and name HN   )) ((resid   58 and name HG2  ))   5.50  3.70  0.00 ! #SUP  4.89
assign  ((resid   57 and name HN   )) ((resid   58 and name HN   ))   3.88  2.08  0.00 ! #SUP  8.91
!assign  ((resid   58 and name HA   )) ((resid   58 and name HG1  ))   3.46  1.66  0.00 ! #SUP  4.38
!assign  ((resid   58 and name HA   )) ((resid   58 and name HG2  ))   3.79  1.99  0.00 ! #SUP  5.07
assign  ((resid   58 and name HA   )) ((resid   59 and name HG2* ))   5.12  3.32  0.00 ! #SUP  4.03
assign  ((resid   58 and name HA   )) ((resid   59 and name HN   ))   3.56  1.76  0.00 ! #SUP  5.75
assign  ((resid   58 and name HB*  )) ((resid   59 and name HN   ))   4.49  2.69  0.00 ! #SUP  5.03
assign  ((resid   58 and name HG2  )) ((resid   59 and name HN   ))   5.34  3.54  0.00 ! #SUP  4.91
assign  ((resid   58 and name HN   )) ((resid   58 and name HB*  ))   3.80  2.00  0.00 ! #SUP  6.18
!assign  ((resid   58 and name HN   )) ((resid   58 and name HG2  ))   4.45  2.65  0.00 ! #SUP  6.27
assign  ((resid   58 and name HN   )) ((resid   59 and name HN   ))   5.46  3.66  0.00 ! #SUP  4.55
!assign  ((resid   59 and name HA   )) ((resid   59 and name HD1* ))   3.84  2.04  0.00 ! #SUP  3.82
!assign  ((resid   59 and name HA   )) ((resid   59 and name HG12 ))   4.19  2.39  0.00 ! #SUP  5.98
!assign  ((resid   59 and name HB   )) ((resid   59 and name HD1* ))   4.05  2.25  0.00 ! #SUP  4.37
assign  ((resid   59 and name HB   )) ((resid   60 and name HN   ))   5.21  3.41  0.00 ! #SUP  5.45
assign  ((resid   59 and name HG12 )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.46
assign  ((resid   59 and name HN   )) ((resid   59 and name HB   ))   3.91  2.11  0.00 ! #SUP  6.56
!assign  ((resid   59 and name HN   )) ((resid   59 and name HG12 ))   4.85  3.05  0.00 ! #SUP  6.59
!assign  ((resid   59 and name HN   )) ((resid   59 and name HG2* ))   5.39  3.59  0.00 ! #SUP  6.88
assign  ((resid   59 and name HN   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.49
assign (resid 59 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.4
assign (resid 59 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.2
assign (resid 59 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.0
assign (resid 59 and name HD1#) (resid 59 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.5
assign (resid 59 and name HG2#) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.36
assign (resid 59 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.35
assign (resid 59 and name HG2#) (resid 59 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.38
!assign (resid 60 and name HE#) (resid 60 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.111
!assign (resid 60 and name HE#) (resid 60 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.23
!assign (resid 60 and name HD#) (resid 60 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.116
!assign (resid 60 and name HD#) (resid 60 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.123
!assign (resid 60 and name HD#) (resid 60 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.124
!assign (resid 60 and name HD#) (resid 60 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.28
!assign (resid 60 and name HZ ) (resid 60 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.75
!assign (resid 60 and name HZ ) (resid 60 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.25
!assign (resid 60 and name HZ ) (resid 60 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.26
!assign (resid 60 and name HE2) (resid 60 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.31
!assign (resid 60 and name HE2) (resid 60 and name HD#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.32
assign  ((resid   60 and name HA   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.14
assign  ((resid   60 and name HA   )) ((resid   63 and name HB1  ))   5.37  3.57  0.00 ! #SUP  2.31
!assign  ((resid   60 and name HA   )) ((resid   63 and name HN   ))   4.89  3.09  0.00 ! #SUP  4.28 ???
assign  ((resid   60 and name HB1  )) ((resid   61 and name HN   ))   4.57  2.77  0.00 ! #SUP  3.96
assign  ((resid   60 and name HB1  )) ((resid   63 and name HB2  ))   3.80  2.00  0.00 ! #SUP  0.53
!assign  ((resid   60 and name HD#  )) ((resid   61 and name HN   ))   4.77  2.97  0.00 ! #SUP  4.71
assign  ((resid   60 and name HD#  )) ((resid   62 and name HN   ))   4.71  2.91  0.00 ! #SUP  5.41
assign  ((resid   60 and name HD#  )) ((resid   63 and name HN   ))   5.43  3.63  0.00 ! #SUP  3.22
assign  ((resid   60 and name HZ   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.26
assign (resid 60 and name HE#) (resid 43 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.96
assign (resid 60 and name HE#) (resid 51 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.74
assign (resid 60 and name HE#) (resid 52 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.73
assign (resid 60 and name HE#) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.104
assign (resid 60 and name HE#) (resid 53 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.106
!assign (resid 60 and name HE#) (resid 60 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.76
assign (resid 60 and name HE#) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.81
assign (resid 60 and name HE#) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.102
assign (resid 60 and name HD#) (resid 43 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.134
assign (resid 60 and name HD#) (resid 43 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.132
assign (resid 60 and name HD#) (resid 52 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.112
assign (resid 60 and name HD#) (resid 52 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.139
assign (resid 60 and name HD#) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.140
assign (resid 60 and name HD#) (resid 53 and name HG2#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.141
assign (resid 60 and name HD#) (resid 53 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.25
assign (resid 60 and name HD#) (resid 54 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.115
assign (resid 60 and name HD#) (resid 59 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.117
assign (resid 60 and name HD#) (resid 61 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.29
assign (resid 60 and name HD#) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.122
assign (resid 60 and name HD#) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.135
assign (resid 60 and name HZ ) (resid 43 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.99
assign (resid 60 and name HZ ) (resid 43 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.95
assign (resid 60 and name HZ ) (resid 51 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.72
assign (resid 60 and name HZ ) (resid 51 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.82
assign (resid 60 and name HZ ) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.103
assign (resid 60 and name HZ ) (resid 53 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.105
assign (resid 60 and name HZ ) (resid 61 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.71
assign (resid 60 and name HZ ) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.80
assign (resid 60 and name HZ ) (resid 62 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.100
assign (resid 60 and name HZ ) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.101
!assign  ((resid   61 and name HA   )) ((resid   62 and name HA   ))   5.45  3.65  0.00 ! #SUP  4.76
assign  ((resid   61 and name HB*  )) ((resid   62 and name HD2* ))   4.15  2.35  0.00 ! #SUP  4.49
assign  ((resid   61 and name HB*  )) ((resid   63 and name HN   ))   5.42  3.62  0.00 ! #SUP  4.21
assign  ((resid   61 and name HG2  )) ((resid   62 and name HN   ))   4.65  2.85  0.00 ! #SUP  6.35
!assign  ((resid   61 and name HN   )) ((resid   62 and name HA   ))   5.27  3.47  0.00 ! #SUP  7.12
assign  ((resid   61 and name HN   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  9.71
assign  ((resid   61 and name HN   )) ((resid   63 and name HB1  ))   5.32  3.52  0.00 ! #SUP  4.84
assign  ((resid   61 and name HN   )) ((resid   63 and name HN   ))   4.89  3.09  0.00 ! #SUP  8.25
assign  ((resid   61 and name HN   )) ((resid   64 and name HN   ))   5.50  3.70  0.00 ! #SUP  8.25
!assign (resid 62 and name HD2#) (resid 62 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.130
!assign (resid 62 and name HD2#) (resid 62 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.131
!assign (resid 62 and name HD2#) (resid 65 and name HB#) 7.000 5.2 0.0 !   mhnoesy_final2.128
!assign  ((resid   62 and name HA   )) ((resid   62 and name HD1* ))   4.47  2.67  0.00 ! #SUP  7.56
!assign  ((resid   62 and name HA   )) ((resid   62 and name HD2* ))   3.87  2.07  0.00 ! #SUP  7.39
!assign  ((resid   62 and name HA   )) ((resid   63 and name HB1  ))   4.84  3.04  0.00 ! #SUP  5.99
assign  ((resid   62 and name HA   )) ((resid   64 and name HN  ))   5.50  3.70  0.00 ! by hand
!assign  ((resid   62 and name HB1  )) ((resid   62 and name HD1* ))   4.25  2.45  0.00 ! #SUP  6.24
assign  ((resid   62 and name HB1  )) ((resid   63 and name HN   ))   5.32  3.52  0.00 ! #SUP  7.35
assign  ((resid   62 and name HB1  )) ((resid   66 and name HD1* ))   4.00  2.20  0.00 ! #SUP  1.21
!assign  ((resid   62 and name HB2  )) ((resid   62 and name HD1* ))   3.83  2.03  0.00 ! #SUP  6.69
!assign  ((resid   62 and name HB2  )) ((resid   62 and name HD2* ))   3.71  1.91  0.00 ! #SUP  6.72
assign  ((resid   62 and name HB2  )) ((resid   63 and name HN   ))   4.99  3.19  0.00 ! #SUP  8.04
assign  ((resid   62 and name HD1* )) ((resid   63 and name HB1  ))   4.87  3.07  0.00 ! #SUP  5.77
assign  ((resid   62 and name HD1* )) ((resid   63 and name HN   ))   5.16  3.36  0.00 ! #SUP  8.66
assign  ((resid   62 and name HD1* )) ((resid   64 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.64
assign  ((resid   62 and name HD2* )) ((resid   63 and name HN   ))   4.74  2.94  0.00 ! #SUP  8.01
assign  ((resid   62 and name HD1* )) ((resid   61 and name HN   ))   5.27  3.47  0.00 ! #SUP  6.66 changed assignment
assign  ((resid   62 and name HG   )) ((resid   63 and name HN   ))   5.11  3.31  0.00 ! #SUP  7.68
assign  ((resid   62 and name HG   )) ((resid   64 and name HN   ))   5.43  3.63  0.00 ! #SUP  4.09
assign  ((resid   62 and name HG   )) ((resid   65 and name HB1  ))   2.40  0.60  0.00 ! #SUP  1.50
assign  ((resid   62 and name HG   )) ((resid   65 and name HN   ))   5.18  3.38  0.00 ! #SUP  2.13
assign  ((resid   62 and name HN   )) ((resid   62 and name HB2  ))   4.07  2.27  0.00 ! #SUP  8.36
!assign  ((resid   62 and name HN   )) ((resid   62 and name HD2* ))   5.36  3.56  0.00 ! #SUP  8.08
!assign  ((resid   62 and name HN   )) ((resid   62 and name HG   ))   5.10  3.30  0.00 ! #SUP  7.49
assign  ((resid   62 and name HN   )) ((resid   63 and name HN   ))   5.26  3.46  0.00 ! #SUP  8.19
assign (resid 62 and name HD2#) (resid 43 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.129
assign  ((resid   63 and name HA   )) ((resid   64 and name HN   ))   3.29  1.49  0.00 ! #SUP  4.51
assign  ((resid   63 and name HA   )) ((resid   65 and name HN   ))   4.70  2.90  0.00 ! #SUP  2.60
assign  ((resid   63 and name HB1  )) ((resid   66 and name HD1* ))   5.30  3.50  0.00 ! #SUP  2.46
assign  ((resid   63 and name HB2  )) ((resid   64 and name HN   ))   4.75  2.95  0.00 ! #SUP  4.01
assign  ((resid   63 and name HN   )) ((resid   63 and name HB2  ))   4.13  2.33  0.00 ! #SUP  6.04
!assign  ((resid   63 and name HN   )) ((resid   66 and name HD1* ))   5.50  3.70  0.00 ! #SUP  2.94 not a methyl peak
!assign  ((resid   64 and name HA   )) ((resid   64 and name HG*  ))   3.35  1.55  0.00 ! #SUP  3.86
assign  ((resid   64 and name HA   )) ((resid   67 and name HB1  ))   3.93  2.13  0.00 ! #SUP  2.32
assign  ((resid   64 and name HA   )) ((resid   67 and name HD*  ))   4.03  2.23  0.00 ! #SUP  2.32
assign  ((resid   64 and name HA   )) ((resid   67 and name HG2  ))   4.09  2.29  0.00 ! #SUP  2.49
assign  ((resid   64 and name HB1  )) ((resid   65 and name HN   ))   4.24  2.44  0.00 ! #SUP  4.93
assign  ((resid   64 and name HB2  )) ((resid   65 and name HN   ))   4.26  2.46  0.00 ! #SUP  4.93
assign  ((resid   64 and name HG*  )) ((resid   65 and name HN   ))   4.44  2.64  0.00 ! #SUP  5.95
assign  ((resid   64 and name HN   )) ((resid   64 and name HB1  ))   3.79  1.99  0.00 ! #SUP  5.04
assign  ((resid   64 and name HN   )) ((resid   64 and name HB2  ))   3.89  2.09  0.00 ! #SUP  4.99
assign  ((resid   64 and name HN   )) ((resid   65 and name HB1  ))   5.00  3.20  0.00 ! #SUP  3.51
assign  ((resid   64 and name HN   )) ((resid   65 and name HN   ))   3.52  1.72  0.00 ! #SUP  7.18
!assign  ((resid   65 and name HA   )) ((resid   65 and name HB1  ))   2.57  0.77  0.00 ! #SUP  2.31
assign  ((resid   65 and name HB1  )) ((resid   66 and name HN   ))   3.62  1.82  0.00 ! #SUP  4.74
assign  ((resid   65 and name HN   )) ((resid   65 and name HB1  ))   2.94  1.14  0.00 ! #SUP  4.21
assign  ((resid   65 and name HN   )) ((resid   66 and name HN   ))   3.72  1.92  0.00 ! #SUP  5.63
assign (resid 65 and name HB#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.64
assign (resid 65 and name HB#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.63
assign (resid 65 and name HB#) (resid 66 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.65
assign (resid 65 and name HB#) (resid 7 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.62
!assign  ((resid   66 and name HA   )) ((resid   66 and name HB*  ))   2.94  1.14  0.00 ! #SUP  4.81
!assign  ((resid   66 and name HA   )) ((resid   66 and name HD1* ))   4.28  2.48  0.00 ! #SUP  5.11
!assign  ((resid   66 and name HA   )) ((resid   66 and name HD2* ))   3.21  1.41  0.00 ! #SUP  5.00
!assign  ((resid   66 and name HB*  )) ((resid   66 and name HD1* ))   3.37  1.57  0.00 ! #SUP  4.81
!assign  ((resid   66 and name HB*  )) ((resid   66 and name HD2* ))   3.48  1.68  0.00 ! #SUP  4.81
assign  ((resid   66 and name HD1* )) ((resid   67 and name HN   ))   5.34  3.54  0.00 ! #SUP  5.39
assign  ((resid   66 and name HD2* )) ((resid   67 and name HN   ))   4.96  3.16  0.00 ! #SUP  5.35
assign  ((resid   66 and name HN   )) ((resid   66 and name HB*  ))   3.24  1.44  0.00 ! #SUP  5.33
!assign  ((resid   66 and name HN   )) ((resid   66 and name HD1* ))   4.78  2.98  0.00 ! #SUP  5.49
!assign  ((resid   66 and name HN   )) ((resid   66 and name HD2* ))   4.57  2.77  0.00 ! #SUP  5.38
!assign  ((resid   66 and name HN   )) ((resid   66 and name HG   ))   3.64  1.84  0.00 ! #SUP  4.97
assign (resid 66 and name HD1#) (resid 20 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.134
assign (resid 66 and name HD1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.132
!assign (resid 66 and name HD2#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.125
!assign (resid 66 and name HD2#) (resid 66 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.126
assign (resid 66 and name HD2#) (resid 7 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.120
!assign  ((resid   67 and name HB1  )) ((resid   67 and name HD*  ))   3.27  1.47  0.00 ! #SUP  4.57
!assign  ((resid   67 and name HB1  )) ((resid   67 and name HG1  ))   2.88  1.08  0.00 ! #SUP  5.38
!assign  ((resid   67 and name HB2  )) ((resid   67 and name HD*  ))   3.51  1.71  0.00 ! #SUP  4.31
assign  ((resid   67 and name HG1  )) ((resid   68 and name HN   ))   4.69  2.89  0.00 ! #SUP  5.27
assign  ((resid   67 and name HN   )) ((resid   67 and name HB1  ))   3.30  1.50  0.00 ! #SUP  5.95
assign  ((resid   67 and name HN   )) ((resid   67 and name HB2  ))   3.58  1.78  0.00 ! #SUP  5.58
!assign  ((resid   67 and name HN   )) ((resid   67 and name HD*  ))   4.65  2.85  0.00 ! #SUP  4.87
assign  ((resid   67 and name HN   )) ((resid   68 and name HN   ))   3.97  2.17  0.00 ! #SUP  4.30
!assign  ((resid   68 and name HA   )) ((resid   68 and name HB2  ))   2.81  1.01  0.00 ! #SUP  5.25
assign  ((resid   68 and name HA   )) ((resid   69 and name HN   ))   3.11  1.31  0.00 ! #SUP  2.99
assign  ((resid   68 and name HB2  )) ((resid   69 and name HN   ))   4.26  2.46  0.00 ! #SUP  3.60
!assign  ((resid   68 and name HN   )) ((resid   69 and name HN   ))   3.84  2.04  0.00 ! #SUP  3.19 diagonal
assign  ((resid   69 and name HA*  )) ((resid   70 and name HN   ))   3.56  1.76  0.00 ! #SUP  1.20
!assign (resid 70 and name HD2) (resid 70 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.65
!assign (resid 70 and name HD2) (resid 70 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.67
!assign (resid 70 and name HD2) (resid 70 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.68
!assign (resid 70 and name HD2) (resid 70 and name HE1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.27
assign  ((resid   70 and name HB1  )) ((resid   71 and name HN   ))   5.11  3.31  0.00 ! #SUP  3.55
assign  ((resid   70 and name HB2  )) ((resid   71 and name HN   ))   5.12  3.32  0.00 ! #SUP  3.55
assign  ((resid   70 and name HN   )) ((resid   70 and name HB1  ))   4.14  2.34  0.00 ! #SUP  3.29
assign (resid 70 and name HD2) (resid 66 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.69
assign  ((resid   71 and name HA   )) ((resid   72 and name HN   ))   3.41  1.61  0.00 ! #SUP  3.20
assign  ((resid   71 and name HB*  )) ((resid   72 and name HN   ))   4.27  2.47  0.00 ! #SUP  3.20
!assign  ((resid   71 and name HN   )) ((resid   72 and name HN   ))   4.69  2.89  0.00 ! #SUP  3.20 diagonal
assign  ((resid   72 and name HN   )) ((resid   72 and name HB1  ))   3.71  1.91  0.00 ! #SUP  3.92
assign  ((resid   72 and name HN   )) ((resid   72 and name HG*  ))   4.70  2.90  0.00 ! #SUP  3.82
! Distance constraint file from ATNOS/CANDID
! ATNOS/CANDID version 1.1  
! File format   : cns
! File generated: 2006 March  4th, 22:59:24

!assign  ((resid   16 and name HA   )) ((resid   17 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   16 and name HN   )) ((resid   17 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   16 and name HB2  )) ((resid   17 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   17 and name HA   )) ((resid   18 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   17 and name HN   )) ((resid   18 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   17 and name HB2  )) ((resid   18 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HA   )) ((resid   19 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HN   )) ((resid   19 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HB   )) ((resid   19 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   19 and name HA   )) ((resid   20 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   19 and name HN   )) ((resid   20 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   19 and name HB2  )) ((resid   20 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   25 and name HA   )) ((resid   26 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   25 and name HN   )) ((resid   26 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   25 and name HB2  )) ((resid   26 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   26 and name HA   )) ((resid   27 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   26 and name HN   )) ((resid   27 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   26 and name HB2  )) ((resid   27 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!!assign  ((resid   27 and name HA2  )) ((resid   28 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   27 and name HN   )) ((resid   28 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   28 and name HA   )) ((resid   29 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   28 and name HN   )) ((resid   29 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   28 and name HB2  )) ((resid   29 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   29 and name HA   )) ((resid   30 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   29 and name HN   )) ((resid   30 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   29 and name HB2  )) ((resid   30 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   35 and name HA   )) ((resid   36 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   35 and name HN   )) ((resid   36 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   35 and name HB2  )) ((resid   36 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   36 and name HA   )) ((resid   37 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   36 and name HN   )) ((resid   37 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   36 and name HB2  )) ((resid   37 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   37 and name HA   )) ((resid   38 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   37 and name HN   )) ((resid   38 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   37 and name HB2  )) ((resid   38 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HA   )) ((resid   51 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HN   )) ((resid   51 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HB   )) ((resid   51 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   51 and name HA   )) ((resid   52 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   51 and name HN   )) ((resid   52 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   51 and name HB2  )) ((resid   52 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HA   )) ((resid   53 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HN   )) ((resid   53 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HB   )) ((resid   53 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HA   )) ((resid   54 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HN   )) ((resid   54 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HB   )) ((resid   54 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   54 and name HA   )) ((resid   55 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   54 and name HN   )) ((resid   55 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   54 and name HB2  )) ((resid   55 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HA   )) ((resid   60 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HN   )) ((resid   60 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HB   )) ((resid   60 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   60 and name HA   )) ((resid   61 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   60 and name HN   )) ((resid   61 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   60 and name HB2  )) ((resid   61 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   61 and name HA   )) ((resid   62 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   61 and name HN   )) ((resid   62 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   61 and name HB2  )) ((resid   62 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!!
!
!NOEs added manually for structure refinement, 25.04.2006
!
assign  ((resid   60 and name HD*  )) ((resid   63 and name HN   ))   5.00  3.20  0.00 !
assign  ((resid   15 and name HN   )) ((resid   12 and name HD1# ))   5.50  3.70  0.00 !
assign  ((resid   15 and name HN   )) ((resid   12 and name HD2# ))   6.00  4.20  0.00 !
!methionine sidechains from 2D NOESY in D2O
assign (resid 3 and name HE#) (resid 3 and name HA) 4.500 2.7 0.0 !   metch3.14
assign (resid 3 and name HE#) (resid 3 and name HG1) 4.500 2.7 0.0 !   metch3.16
assign (resid 3 and name HE#) (resid 6 and name HG1#) 6.000 4.2 0.0 !   metch3.19
assign (resid 3 and name HE#) (resid 9 and name HB) 6.000 4.2 0.0 !   metch3.15
assign (resid 26 and name HE#) (resid 18 and name HG2#) 6.000 4.2 0.0 !   metch3.10
assign (resid 26 and name HE#) (resid 20 and name HG1#) 6.000 4.2 0.0 !   metch3.9
assign (resid 28 and name HE#) (resid 12 and name HD2#) 6.000 4.2 0.0 !   metch3.42
assign (resid 28 and name HE#) (resid 16 and name HB1) 6.000 4.2 0.0 !   metch3.37
assign (resid 28 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 !   metch3.38
assign (resid 28 and name HE#) (resid 18 and name HG1#) 6.000 4.2 0.0 !   metch3.40
assign (resid 28 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 !   metch3.35
assign (resid 36 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 !   metch3.55
assign (resid 36 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 !   metch3.50
assign (resid 36 and name HE#) (resid 29 and name HA) 6.000 4.2 0.0 !   metch3.51
assign (resid 36 and name HE#) (resid 30 and name HB1) 6.000 4.2 0.0 !   metch3.57
assign (resid 36 and name HE#) (resid 30 and name HB2) 6.000 4.2 0.0 !   metch3.58
assign (resid 36 and name HE#) (resid 38 and name HA) 6.000 4.2 0.0 !   metch3.53
assign (resid 36 and name HE#) (resid 39 and name HD1) 6.000 4.2 0.0 !   metch3.54
assign (resid 36 and name HE#) (resid 39 and name HD2) 6.000 4.2 0.0 !   metch3.56
assign (resid 26 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 !   metch3.1
assign (resid 54 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 !   metch3.43
assign (resid 54 and name HE#) (resid 55 and name HA) 6.000 4.2 0.0 !   metch3.44
assign (resid 26 and name HE#) (resid 57 and name HA) 4.500 2.7 0.0 !   metch3.4
assign (resid 26 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 !   metch3.7
assign (resid 26 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 !   metch3.6
assign (resid 54 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 !   metch3.48
assign (resid 54 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 !   metch3.47
assign (resid 26 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 !   metch3.12
assign (resid 26 and name HE#) (resid 59 and name HG11) 6.000 4.2 0.0 !   metch3.8
assign (resid 26 and name HE#) (resid 59 and name HG2#) 6.000 4.2 0.0 !   metch3.11
assign (resid 54 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 !   metch3.49
!
!
!assign  (resid   53 and name HN   ) (resid   61 and name HA   )   4.00  2.20  0.00 ! #715 invisible dans 2d noe
!assign  (resid   62 and name HN   ) (resid   52 and name HA   )   4.00  2.20  0.00 ! #715 presque invisible dans 2d noesy
assign  (resid   52 and name HA   ) (resid   61 and name HA   )   4.00  2.20  0.00 ! #715
!
! added constraints with Thr50 OH from 3d nnoesy at 1H=5.87
assign  (resid 50 and name HG1    ) (resid 48 and name HN )       3.00  1.80  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 49 and name HN )       4.00  2.20  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 47 and name HN )       4.00  2.20  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 46 and name HN )       5.00  3.20  0.00  !by hand

!H-bond restraints for secondary structures
!assign  (resid 42 and name HN    ) (resid 54 and name 0 )       3.00  1.80  0.00  !
assign  (resid 46 and name HN    ) (resid 50 and name 0 )       3.00  1.80  0.00  !

! ATNOS/CANDID version 1.1  
! Distance constraint file from ATNOS/CANDID
! File format   : cns
! File generated: 2006 May  7th,  1:51:17
!assign  ((resid    1 and name HA   )) ((resid    1 and name HG*  ))   3.66  1.86  0.00 ! #SUP  1.99
assign  ((resid    1 and name HG*  )) ((resid    2 and name HN   ))   4.91  3.11  0.00 ! #SUP  3.52
assign  ((resid    1 and name HG*  )) ((resid    3 and name HE#  ))   3.19  1.39  0.00 ! #SUP  1.38
!assign  ((resid    1 and name HG*  )) ((resid    6 and name HG1* ))   3.08  1.28  0.00 ! #SUP  1.89
!assign  ((resid    1 and name HG*  )) ((resid    6 and name HG2* ))   2.64  0.84  0.00 ! #SUP  1.76
assign  ((resid    1 and name HG*  )) ((resid   18 and name HA   ))   5.50  3.70  0.00 ! #SUP  1.27
assign (resid 1 and name HG##) (resid 6 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.67
assign (resid 1 and name HG##) (resid 6 and name HG2#) 4.500 2.7 0.0 !   mhnoesy_final2.66
assign  ((resid    2 and name HA   )) ((resid    3 and name HN   ))   2.82  1.02  0.00 ! #SUP  4.27
assign  ((resid    2 and name HB1  )) ((resid    3 and name HN   ))   4.45  2.65  0.00 ! #SUP  5.36
assign  ((resid    2 and name HB1  )) ((resid    4 and name HN   ))   4.99  3.19  0.00 ! #SUP  3.35
assign  ((resid    2 and name HB2  )) ((resid    3 and name HN   ))   4.30  2.50  0.00 ! #SUP  5.36
assign  ((resid    2 and name HB2  )) ((resid    4 and name HN   ))   5.02  3.22  0.00 ! #SUP  3.35
!assign  ((resid    3 and name HA   )) ((resid    3 and name HE#  ))   3.47  1.67  0.00 ! #SUP  3.50
!assign  ((resid    3 and name HA   )) ((resid    3 and name HG1  ))   3.69  1.89  0.00 ! #SUP  6.00
!assign  ((resid    3 and name HA   )) ((resid    3 and name HG2  ))   3.99  2.19  0.00 ! #SUP  5.66
assign  ((resid    3 and name HA   )) ((resid    5 and name HN   ))   4.14  2.34  0.00 ! #SUP  5.69
assign  ((resid    3 and name HA   )) ((resid    6 and name HG1* ))   3.31  1.51  0.00 ! #SUP  5.61
assign  ((resid    3 and name HA   )) ((resid    6 and name HN   ))   3.83  2.03  0.00 ! #SUP  4.73
assign  ((resid    3 and name HB2  )) ((resid    4 and name HN   ))   4.34  2.54  0.00 ! #SUP  5.90
assign  ((resid    3 and name HG1  )) ((resid    4 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.45
!assign  ((resid    3 and name HG2  )) ((resid    3 and name HE#  ))   3.15  1.35  0.00 ! #SUP  3.26
assign  ((resid    3 and name HN   )) ((resid    3 and name HB2  ))   3.59  1.79  0.00 ! #SUP  6.01
assign  ((resid    3 and name HN   )) ((resid    3 and name HG1  ))   3.42  1.62  0.00 ! #SUP  6.41
assign  ((resid    3 and name HN   )) ((resid    3 and name HG2  ))   3.79  1.99  0.00 ! #SUP  6.38
assign  ((resid    3 and name HN   )) ((resid    4 and name HN   ))   3.29  1.49  0.00 ! #SUP  8.05
assign  ((resid    3 and name HN   )) ((resid    5 and name HN   ))   4.80  3.00  0.00 ! #SUP  4.26
assign  ((resid    3 and name HN   )) ((resid    6 and name HG1* ))   5.01  3.21  0.00 ! #SUP  3.95
assign (resid 3 and name HE# ) (resid 1 and name HG##) 4.500 2.7 0.0 !   mhnoesy_final2.39
assign (resid 3 and name HE# ) (resid 6 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.41
assign (resid 3 and name HE# ) (resid 6 and name HG2#) 5.500 3.7 0.0 !   mhnoesy_final2.40
!assign  ((resid    4 and name HA   )) ((resid    4 and name HB*  ))   2.71  0.91  0.00 ! #SUP  2.00
assign  ((resid    4 and name HA   )) ((resid    5 and name HN   ))   3.63  1.83  0.00 ! #SUP  4.57
assign  ((resid    4 and name HB*  )) ((resid    5 and name HN   ))   3.85  2.05  0.00 ! #SUP  4.57
assign  ((resid    4 and name HB*  )) ((resid    6 and name HN   ))   4.75  2.95  0.00 ! #SUP  4.15
assign  ((resid    4 and name HN   )) ((resid    4 and name HB*  ))   3.08  1.28  0.00 ! #SUP  4.20
assign  ((resid    4 and name HN   )) ((resid    5 and name HA   ))   4.93  3.13  0.00 ! #SUP  5.06
assign  ((resid    4 and name HN   )) ((resid    5 and name HN   ))   3.39  1.59  0.00 ! #SUP  9.21
assign  ((resid    4 and name HN   )) ((resid    6 and name HG1* ))   5.12  3.32  0.00 ! #SUP  6.27
assign  ((resid    4 and name HN   )) ((resid    6 and name HN   ))   4.37  2.57  0.00 ! #SUP  8.48
!assign  ((resid    5 and name HA   )) ((resid    5 and name HD2* ))   3.86  2.06  0.00 ! #SUP  4.58
assign  ((resid    5 and name HA   )) ((resid    6 and name HN   ))   3.61  1.81  0.00 ! #SUP  6.68
assign  ((resid    5 and name HA   )) ((resid   22 and name HB*  ))   3.74  1.94  0.00 ! #SUP  4.97
assign  ((resid    5 and name HA   )) ((resid   22 and name HD*  ))   3.37  1.57  0.00 ! #SUP  3.86
assign  ((resid    5 and name HA   )) ((resid   22 and name HG*  ))   3.62  1.82  0.00 ! #SUP  4.02
assign  ((resid    5 and name HA   )) ((resid   22 and name HN   ))   4.97  3.17  0.00 ! #SUP  6.28
!assign  ((resid    5 and name HB1  )) ((resid    5 and name HD2* ))   3.77  1.97  0.00 ! #SUP  4.49
assign  ((resid    5 and name HB1  )) ((resid    6 and name HN   ))   4.49  2.69  0.00 ! #SUP  6.68
assign  ((resid    5 and name HB1  )) ((resid   21 and name HD*  ))   4.22  2.42  0.00 ! #SUP  4.42
assign  ((resid    5 and name HB1  )) ((resid   22 and name HN   ))   5.21  3.41  0.00 ! #SUP  4.14
assign  ((resid    5 and name HB2  )) ((resid    6 and name HN   ))   4.48  2.68  0.00 ! #SUP  6.17
assign  ((resid    5 and name HB2  )) ((resid   22 and name HB*  ))   4.03  2.23  0.00 ! #SUP  2.86
assign  ((resid    5 and name HD2* )) ((resid    6 and name HA   ))   4.29  2.49  0.00 ! #SUP  4.83
assign  ((resid    5 and name HD2* )) ((resid    6 and name HB   ))   3.46  1.66  0.00 ! #SUP  5.02
assign  ((resid    5 and name HD2* )) ((resid    6 and name HG2* ))   3.93  2.13  0.00 ! #SUP  4.88
assign  ((resid    5 and name HD2* )) ((resid    6 and name HN   ))   4.15  2.35  0.00 ! #SUP  7.67
assign  ((resid    5 and name HD2* )) ((resid   21 and name HD*  ))   3.66  1.86  0.00 ! #SUP  5.77
assign  ((resid    5 and name HD2* )) ((resid   22 and name HB*  ))   4.94  3.14  0.00 ! #SUP  4.29
assign  ((resid    5 and name HD2* )) ((resid   22 and name HD*  ))   5.03  3.23  0.00 ! #SUP  3.23
assign  ((resid    5 and name HD2* )) ((resid   22 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.30
assign  ((resid    5 and name HN   )) ((resid    5 and name HB1  ))   3.33  1.53  0.00 ! #SUP  6.24
assign  ((resid    5 and name HN   )) ((resid    5 and name HB2  ))   3.65  1.85  0.00 ! #SUP  5.50
assign  ((resid    5 and name HN   )) ((resid    6 and name HA   ))   4.87  3.07  0.00 ! #SUP  5.22
assign  ((resid    5 and name HN   )) ((resid    6 and name HG1* ))   4.27  2.47  0.00 ! #SUP  5.95
assign  ((resid    5 and name HN   )) ((resid    6 and name HN   ))   3.22  1.42  0.00 ! #SUP  9.78
assign  ((resid    5 and name HN   )) ((resid   21 and name HD*  ))   5.13  3.33  0.00 ! #SUP  3.10
!assign  ((resid    6 and name HA   )) ((resid    6 and name HG1* ))   3.44  1.64  0.00 ! #SUP  5.31
!assign  ((resid    6 and name HA   )) ((resid    6 and name HG2* ))   3.40  1.60  0.00 ! #SUP  5.23
assign  ((resid    6 and name HA   )) ((resid    7 and name HN   ))   3.56  1.76  0.00 ! #SUP  4.74
assign  ((resid    6 and name HA   )) ((resid    8 and name HN   ))   4.04  2.24  0.00 ! #SUP  3.56
assign  ((resid    6 and name HA   )) ((resid   21 and name HA   ))   3.23  1.43  0.00 ! #SUP  6.01
assign  ((resid    6 and name HA   )) ((resid   21 and name HD*  ))   4.20  2.40  0.00 ! #SUP  7.65
assign  ((resid    6 and name HA   )) ((resid   21 and name HN   ))   5.09  3.29  0.00 ! #SUP  3.39
assign  ((resid    6 and name HG1* )) ((resid    7 and name HN   ))   4.74  2.94  0.00 ! #SUP  4.79
assign  ((resid    6 and name HG1* )) ((resid    8 and name HN   ))   4.85  3.05  0.00 ! #SUP  3.56
assign  ((resid    6 and name HG1* )) ((resid   19 and name HB2  ))   4.77  2.97  0.00 ! #SUP  2.75
assign  ((resid    6 and name HG1* )) ((resid   22 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.42
!assign  ((resid    6 and name HG2* )) ((resid   21 and name HD*  ))   4.52  2.72  0.00 ! #SUP  7.29
assign  ((resid    6 and name HN   )) ((resid    6 and name HB   ))   2.96  1.16  0.00 ! #SUP  6.51
assign  ((resid    6 and name HN   )) ((resid    6 and name HG1* ))   3.48  1.68  0.00 ! #SUP  6.00
assign  ((resid    6 and name HN   )) ((resid    7 and name HG1* ))   5.50  3.70  0.00 ! #SUP  3.22
assign  ((resid    6 and name HN   )) ((resid   21 and name HA   ))   4.76  2.96  0.00 ! #SUP  4.49
assign  ((resid    6 and name HN   )) ((resid   21 and name HD*  ))   4.96  3.16  0.00 ! #SUP  6.21
assign  ((resid    6 and name HN   )) ((resid   22 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.32
assign (resid 6 and name HG2#) (resid 20 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.104
!assign (resid 6 and name HG2#) (resid 6 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.105
!assign (resid 7 and name HG2#) (resid 7 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.68
!assign  ((resid    7 and name HA   )) ((resid    7 and name HB   ))   2.96  1.16  0.00 ! #SUP  3.61
!assign  ((resid    7 and name HA   )) ((resid    7 and name HG1* ))   3.30  1.50  0.00 ! #SUP  4.16
!assign  ((resid    7 and name HA   )) ((resid    7 and name HG2* ))   3.52  1.72  0.00 ! #SUP  3.82
!assign  ((resid    7 and name HG2* )) ((resid   20 and name HG1* ))   3.82  2.02  0.00 ! #SUP  2.83
assign  ((resid    7 and name HG2* )) ((resid   21 and name HA   ))   4.11  2.31  0.00 ! #SUP  6.52
assign  ((resid    7 and name HG2* )) ((resid   22 and name HA   ))   3.21  1.41  0.00 ! #SUP  4.68
assign  ((resid    7 and name HG2* )) ((resid   23 and name HN   ))   5.27  3.47  0.00 ! #SUP  4.75
assign  ((resid    7 and name HN   )) ((resid    7 and name HG1* ))   4.80  3.00  0.00 ! #SUP  5.62
assign  ((resid    7 and name HN   )) ((resid    8 and name HN   ))   3.63  1.83  0.00 ! #SUP  6.81
assign  ((resid    7 and name HN   )) ((resid   21 and name HA   ))   4.11  2.31  0.00 ! #SUP 10.00
assign  ((resid    7 and name HN   )) ((resid   21 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.48
assign  ((resid    7 and name HN   )) ((resid   21 and name HB2  ))   5.50  3.70  0.00 ! #SUP  5.74
assign  ((resid    7 and name HN   )) ((resid   21 and name HD*  ))   5.29  3.49  0.00 ! #SUP  7.89
!assign  ((resid    7 and name HN   )) ((resid   21 and name HN   ))   4.62  2.82  0.00 ! #SUP  7.54 diagonal
assign  ((resid    7 and name HN   )) ((resid   22 and name HN   ))   5.00  3.20  0.00 ! #SUP  8.52
assign (resid 7 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.86
!assign  ((resid    8 and name HA   )) ((resid    8 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.89
assign  ((resid    8 and name HA   )) ((resid    9 and name HB   ))   4.23  2.43  0.00 ! #SUP  4.71
assign  ((resid    8 and name HA   )) ((resid    9 and name HN   ))   2.94  1.14  0.00 ! #SUP  7.13
assign  ((resid    8 and name HB1  )) ((resid   20 and name HG2* ))   4.18  2.38  0.00 ! #SUP  4.54
assign  ((resid    8 and name HB1  )) ((resid   20 and name HN   ))   4.95  3.15  0.00 ! #SUP  3.92
!assign  ((resid    8 and name HB2  )) ((resid    8 and name HD*  ))   2.60  0.80  0.00 ! #SUP  6.21
assign  ((resid    8 and name HB2  )) ((resid    9 and name HN   ))   4.03  2.23  0.00 ! #SUP  6.48
assign  ((resid    8 and name HB2  )) ((resid   20 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.53
assign  ((resid    8 and name HD*  )) ((resid    9 and name HN   ))   3.95  2.15  0.00 ! #SUP  6.85
assign  ((resid    8 and name HE1  )) ((resid    9 and name HN   ))   5.39  3.59  0.00 ! #SUP  5.83
assign  ((resid    8 and name HE1  )) ((resid   10 and name HE*  ))   4.63  2.83  0.00 ! #SUP  0.63
assign  ((resid    8 and name HE2  )) ((resid    9 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.46
assign  ((resid    8 and name HN   )) ((resid    8 and name HB1  ))   4.13  2.33  0.00 ! #SUP  5.36
assign  ((resid    8 and name HN   )) ((resid    9 and name HN   ))   4.94  3.14  0.00 ! #SUP  5.63
assign  ((resid    8 and name HN   )) ((resid   20 and name HN   ))   4.34  2.54  0.00 ! #SUP  5.47
assign  ((resid    8 and name HN   )) ((resid   21 and name HA   ))   4.86  3.06  0.00 ! #SUP  3.68
!assign  ((resid    9 and name HA   )) ((resid    9 and name HG2* ))   3.75  1.95  0.00 ! #SUP  3.84
assign  ((resid    9 and name HA   )) ((resid   10 and name HD*  ))   4.77  2.97  0.00 ! #SUP  3.14
assign  ((resid    9 and name HB   )) ((resid   10 and name HN   ))   4.81  3.01  0.00 ! #SUP  4.51
assign  ((resid    9 and name HG2* )) ((resid   10 and name HN   ))   4.08  2.28  0.00 ! #SUP  5.57
assign  ((resid    9 and name HG2* )) ((resid   11 and name HN   ))   4.94  3.14  0.00 ! #SUP  1.81
assign  ((resid    9 and name HG2* )) ((resid   17 and name HB1  ))   3.02  1.22  0.00 ! #SUP  2.65
assign  ((resid    9 and name HG2* )) ((resid   17 and name HB2  ))   4.48  2.68  0.00 ! #SUP  2.61
assign  ((resid    9 and name HG2* )) ((resid   17 and name HD*  ))   3.55  1.75  0.00 ! #SUP  2.22
assign  ((resid    9 and name HG2* )) ((resid   18 and name HN   ))   4.68  2.88  0.00 ! #SUP  6.12
assign  ((resid    9 and name HN   )) ((resid    9 and name HB   ))   3.29  1.49  0.00 ! #SUP  6.64
assign  ((resid    9 and name HN   )) ((resid   10 and name HN   ))   4.94  3.14  0.00 ! #SUP  4.47
assign (resid 9 and name HG2#) (resid 3 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.100
assign (resid 9 and name HG2#) (resid 6 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.101
!assign (resid 10 and name HD#) (resid 10 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.202
!assign (resid 10 and name HD#) (resid 10 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.214
!assign (resid 10 and name HD#) (resid 10 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.216
!assign (resid 10 and name HD#) (resid 10 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.20
!assign (resid 10 and name HD#) (resid 10 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.4
!assign (resid 10 and name HE#) (resid 10 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.201
!assign (resid 10 and name HE#) (resid 10 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.213
!assign (resid 10 and name HE#) (resid 10 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.215
!assign (resid 10 and name HE#) (resid 10 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.5
!assign  ((resid   10 and name HA   )) ((resid   10 and name HD*  ))   3.91  2.11  0.00 ! #SUP  4.61
assign  ((resid   10 and name HA   )) ((resid   11 and name HB2  ))   5.50  3.70  0.00 ! #SUP  3.88
assign  ((resid   10 and name HA   )) ((resid   11 and name HN   ))   2.98  1.18  0.00 ! #SUP  6.56
assign  ((resid   10 and name HA   )) ((resid   12 and name HD2* ))   5.15  3.35  0.00 ! #SUP  4.09
!assign  ((resid   10 and name HA   )) ((resid   12 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.93
assign  ((resid   10 and name HA   )) ((resid   18 and name HB   ))   5.01  3.21  0.00 ! #SUP  7.14
assign  ((resid   10 and name HA   )) ((resid   18 and name HN   ))   5.21  3.41  0.00 ! #SUP  6.36
assign  ((resid   10 and name HA   )) ((resid   46 and name HG2* ))   4.72  2.92  0.00 ! #SUP  2.99
!assign  ((resid   10 and name HB1  )) ((resid   12 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.93 
assign  ((resid   10 and name HB1  )) ((resid   18 and name HB   ))   3.97  2.17  0.00 ! #SUP  6.98
assign  ((resid   10 and name HB1  )) ((resid   18 and name HN   ))   4.71  2.91  0.00 ! #SUP  6.40
assign  ((resid   10 and name HB1  )) ((resid   46 and name HG2* ))   5.16  3.36  0.00 ! #SUP  2.79
assign  ((resid   10 and name HB1  )) ((resid   52 and name HD1* ))   5.17  3.37  0.00 ! #SUP  3.11
assign  ((resid   10 and name HB2  )) ((resid   18 and name HB   ))   3.72  1.92  0.00 ! #SUP  6.61
assign  ((resid   10 and name HB2  )) ((resid   18 and name HG2* ))   5.20  3.40  0.00 ! #SUP  4.36
assign  ((resid   10 and name HB2  )) ((resid   18 and name HN   ))   4.50  2.70  0.00 ! #SUP  6.10
assign  ((resid   10 and name HB2  )) ((resid   46 and name HG2* ))   5.50  3.70  0.00 ! #SUP  2.47
assign  ((resid   10 and name HB2  )) ((resid   52 and name HD1* ))   5.43  3.63  0.00 ! #SUP  2.74
!assign  ((resid   10 and name HD*  )) ((resid   11 and name HN   ))   4.30  2.50  0.00 ! #SUP  4.28
!assign  ((resid   10 and name HD*  )) ((resid   18 and name HB   ))   3.88  2.08  0.00 ! #SUP  7.51
!assign  ((resid   10 and name HD*  )) ((resid   18 and name HN   ))   4.63  2.83  0.00 ! #SUP  7.84
!assign  ((resid   10 and name HD*  )) ((resid   19 and name HN   ))   4.56  2.76  0.00 ! #SUP  2.09
!assign  ((resid   10 and name HD*  )) ((resid   20 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.00
!assign  ((resid   10 and name HD*  )) ((resid   46 and name HG2* ))   4.15  2.35  0.00 ! #SUP  2.98
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HB   ))   5.24  3.44  0.00 ! #SUP  2.25
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HD1* ))   4.12  2.32  0.00 ! #SUP  1.74
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HG12 ))   4.87  3.07  0.00 ! #SUP  2.25
!assign  ((resid   10 and name HE*  )) ((resid   59 and name HG2* ))   4.40  2.60  0.00 ! #SUP  1.74
!assign  ((resid   10 and name HE*  )) ((resid   61 and name HD1  ))   5.03  3.23  0.00 ! #SUP  0.75
!assign  ((resid   10 and name HE*  )) ((resid   61 and name HD2  ))   5.04  3.24  0.00 ! #SUP  0.75
!assign  ((resid   10 and name HN   )) ((resid   10 and name HD*  ))   3.98  2.18  0.00 ! #SUP  7.00
!assign  ((resid   10 and name HN   )) ((resid   10 and name HE*  ))   5.27  3.47  0.00 ! #SUP  2.83
assign  ((resid   10 and name HN   )) ((resid   11 and name HN   ))   4.95  3.15  0.00 ! #SUP  5.26
!assign  ((resid   10 and name HN   )) ((resid   17 and name HA   ))   4.84  3.04  0.00 ! #SUP  2.30 verifie sur 2d noesy
assign  ((resid   10 and name HN   )) ((resid   18 and name HB   ))   4.44  2.64  0.00 ! #SUP  9.34
assign  ((resid   10 and name HN   )) ((resid   18 and name HN   ))   4.34  2.54  0.00 ! #SUP  8.98
assign  ((resid   10 and name HN   )) ((resid   20 and name HN   ))   5.33  3.53  0.00 ! #SUP  0.75
assign  ((resid   10 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  2.25
assign (resid 10 and name HD#) (resid 18 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.241
assign (resid 10 and name HD#) (resid 18 and name HG2#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.242
assign (resid 10 and name HD#) (resid 50 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.237
assign (resid 10 and name HD#) (resid 52 and name HD1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.250
assign (resid 10 and name HD#) (resid 52 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.247
assign (resid 10 and name HD#) (resid 59 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.248
assign (resid 10 and name HD#) (resid 9 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.195
assign (resid 10 and name HD#) (resid 9 and name HB) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.209
assign (resid 10 and name HD#) (resid 11 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.2
assign (resid 10 and name HD#) (resid 18 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.0
assign (resid 10 and name HE#) (resid 50 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.233
assign (resid 10 and name HE#) (resid 52 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.249
assign (resid 10 and name HE#) (resid 52 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.244
assign (resid 10 and name HE#) (resid 59 and name HD1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.245
assign (resid 10 and name HE#) (resid 61 and name HD1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.210
assign (resid 10 and name HE#) (resid 61 and name HD2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.211
assign (resid 10 and name HE#) (resid 9 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.194
assign (resid 10 and name HE#) (resid 11 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.3
assign  ((resid   11 and name HA   )) ((resid   12 and name HN   ))   3.47  1.67  0.00 ! #SUP  4.09
assign  ((resid   11 and name HA   )) ((resid   17 and name HA   ))   4.15  2.35  0.00 ! #SUP  4.62
assign  ((resid   11 and name HA   )) ((resid   17 and name HG2  ))   3.29  1.49  0.00 ! #SUP  3.58
assign  ((resid   11 and name HA   )) ((resid   18 and name HN   ))   4.78  2.98  0.00 ! #SUP  6.16
assign  ((resid   11 and name HB1  )) ((resid   47 and name HD*  ))   4.10  2.30  0.00 ! #SUP  2.61
assign  ((resid   11 and name HB1  )) ((resid   47 and name HG*  ))   4.13  2.33  0.00 ! #SUP  3.38
assign  ((resid   11 and name HB2  )) ((resid   47 and name HB1  ))   4.28  2.48  0.00 ! #SUP  3.83
assign  ((resid   11 and name HB2  )) ((resid   47 and name HD*  ))   3.99  2.19  0.00 ! #SUP  4.60
assign  ((resid   11 and name HB2  )) ((resid   47 and name HG*  ))   4.02  2.22  0.00 ! #SUP  5.82
assign  ((resid   11 and name HN   )) ((resid   11 and name HB2  ))   3.54  1.74  0.00 ! #SUP  5.12
assign  ((resid   11 and name HN   )) ((resid   12 and name HD2* ))   5.34  3.54  0.00 ! #SUP  5.05
assign  ((resid   11 and name HN   )) ((resid   17 and name HA   ))   5.50  3.70  0.00 ! a la main, 3dnnoesy
assign  ((resid   11 and name HN   )) ((resid   18 and name HN   ))   5.50  3.70  0.00 ! a la main, 3dnnoesy
assign  ((resid   11 and name HN   )) ((resid   46 and name HG2* ))   5.03  3.23  0.00 ! #SUP  6.36
!assign  ((resid   11 and name HN   )) ((resid   47 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.43
assign  ((resid   11 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  1.53
assign  ((resid   12 and name HA   )) ((resid   12 and name HD2* ))   3.88  2.08  0.00 ! #SUP  2.81
assign  ((resid   12 and name HA   )) ((resid   14 and name HN   ))   5.19  3.39  0.00 ! #SUP  4.90
!assign  ((resid   12 and name HA   )) ((resid   47 and name HN   ))   4.19  2.39  0.00 ! #SUP  3.72 epaule
assign  ((resid   12 and name HB1  )) ((resid   13 and name HN   ))   4.04  2.24  0.00 ! #SUP  5.65
assign  ((resid   12 and name HB1  )) ((resid   14 and name HN   ))   3.96  2.16  0.00 ! #SUP  8.96
assign  ((resid   12 and name HB1  )) ((resid   15 and name HA2  ))   5.06  3.26  0.00 ! #SUP  2.21
assign  ((resid   12 and name HB1  )) ((resid   15 and name HN   ))   4.87  3.07  0.00 ! #SUP  5.27
!assign  ((resid   12 and name HB2  )) ((resid   12 and name HD1* ))   3.23  1.43  0.00 ! #SUP  4.54
assign  ((resid   12 and name HB2  )) ((resid   15 and name HN   ))   4.63  2.83  0.00 ! #SUP  4.54
assign  ((resid   12 and name HB2  )) ((resid   16 and name HN   ))   4.05  2.25  0.00 ! #SUP  7.17
assign  ((resid   12 and name HD1* )) ((resid   13 and name HN   ))   5.25  3.45  0.00 ! #SUP  5.71
assign  ((resid   12 and name HD1* )) ((resid   14 and name HN   ))   4.90  3.10  0.00 ! #SUP  5.76
assign  ((resid   12 and name HD1* )) ((resid   16 and name HB1  ))   4.58  2.78  0.00 ! #SUP  4.33
assign  ((resid   12 and name HD1* )) ((resid   16 and name HB2  ))   4.19  2.39  0.00 ! #SUP  3.77
assign  ((resid   12 and name HD1* )) ((resid   16 and name HN   ))   4.81  3.01  0.00 ! #SUP  7.91
assign  ((resid   12 and name HD1* )) ((resid   44 and name HB2  ))   4.41  2.61  0.00 ! #SUP  2.35
!assign  ((resid   12 and name HD1* )) ((resid   44 and name HG*  ))   4.43  2.63  0.00 ! #SUP  3.32
assign  ((resid   12 and name HD1* )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.82
assign  ((resid   12 and name HD2* )) ((resid   13 and name HN   ))   4.57  2.77  0.00 ! #SUP  6.72
assign  ((resid   12 and name HD2* )) ((resid   14 and name HN   ))   5.16  3.36  0.00 ! #SUP  6.33
assign  ((resid   12 and name HD2* )) ((resid   16 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.99
assign  ((resid   12 and name HD2* )) ((resid   17 and name HA   ))   5.33  3.53  0.00 ! #SUP  5.07
assign  ((resid   12 and name HD2* )) ((resid   17 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.58
!assign  ((resid   12 and name HD2* )) ((resid   18 and name HG1* ))   4.20  2.40  0.00 ! #SUP  1.32
assign  ((resid   12 and name HD2* )) ((resid   18 and name HN   ))   5.37  3.57  0.00 ! #SUP  5.21
assign  ((resid   12 and name HD2* )) ((resid   44 and name HB1  ))   5.24  3.44  0.00 ! #SUP  2.36
assign  ((resid   12 and name HD2* )) ((resid   46 and name HA   ))   4.03  2.23  0.00 ! #SUP  4.98
!assign  ((resid   12 and name HD2* )) ((resid   46 and name HG2* ))   3.95  2.15  0.00 ! #SUP  5.79
assign  ((resid   12 and name HD2* )) ((resid   47 and name HN   ))   5.02  3.22  0.00 ! #SUP  6.96 ! ok, verifie
assign  ((resid   12 and name HG   )) ((resid   13 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.65
assign  ((resid   12 and name HG   )) ((resid   16 and name HN   ))   5.44  3.64  0.00 ! #SUP  4.59
assign  ((resid   12 and name HG   )) ((resid   17 and name HA   ))   4.72  2.92  0.00 ! #SUP  2.40
assign  ((resid   12 and name HN   )) ((resid   12 and name HB2  ))   4.12  2.32  0.00 ! #SUP  4.95
!assign  ((resid   12 and name HN   )) ((resid   12 and name HD1* ))   4.85  3.05  0.00 ! #SUP  5.56
!assign  ((resid   12 and name HN   )) ((resid   12 and name HD2* ))   4.62  2.82  0.00 ! #SUP  6.76
!assign  ((resid   12 and name HN   )) ((resid   12 and name HG   ))   3.99  2.19  0.00 ! #SUP  5.27
assign  ((resid   12 and name HN   )) ((resid   14 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.37
assign  ((resid   12 and name HN   )) ((resid   15 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.13
assign  ((resid   12 and name HN   )) ((resid   16 and name HB2  ))   5.50  3.70  0.00 ! #SUP  4.84
assign  ((resid   12 and name HN   )) ((resid   16 and name HN   ))   5.35  3.55  0.00 ! #SUP 10.00
assign  ((resid   12 and name HN   )) ((resid   17 and name HA   ))   4.36  2.56  0.00 ! #SUP  9.11
assign  ((resid   12 and name HN   )) ((resid   17 and name HG2  ))   5.02  3.22  0.00 ! #SUP  6.65
!assign  ((resid   12 and name HN   )) ((resid   18 and name HN   ))   4.34  2.54  0.00 ! #SUP  6.39 diagonal
!assign  ((resid   12 and name HN   )) ((resid   46 and name HA   ))   5.43  3.63  0.00 ! #SUP  3.12
!assign  ((resid   12 and name HN   )) ((resid   47 and name HN   ))   4.70  2.90  0.00 ! #SUP  6.55 pas de NOE sur 12HN
assign (resid 12 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.143
assign (resid 12 and name HD2#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.114
assign (resid 12 and name HD2#) (resid 12 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.115
assign (resid 12 and name HD2#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.111
assign (resid 12 and name HD2#) (resid 38 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.108
assign (resid 12 and name HD2#) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.106
assign (resid 12 and name HD2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.113
assign (resid 12 and name HD2#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.107
!assign  ((resid   13 and name HA   )) ((resid   13 and name HG1  ))   3.78  1.98  0.00 ! #SUP  4.48
!assign  ((resid   13 and name HA   )) ((resid   13 and name HG2  ))   3.94  2.14  0.00 ! #SUP  5.12
assign  ((resid   13 and name HA   )) ((resid   47 and name HA   ))   3.15  1.35  0.00 ! #SUP  8.46
assign  ((resid   13 and name HA   )) ((resid   47 and name HB1  ))   4.68  2.88  0.00 ! #SUP  2.62
assign  ((resid   13 and name HA   )) ((resid   47 and name HG*  ))   3.76  1.96  0.00 ! #SUP  2.62
assign  ((resid   13 and name HA   )) ((resid   47 and name HN   ))   5.00  3.20  0.00 ! #SUP  6.87
assign  ((resid   13 and name HB1  )) ((resid   14 and name HN   ))   3.96  2.16  0.00 ! #SUP  7.18
assign  ((resid   13 and name HB1  )) ((resid   47 and name HA   ))   5.07  3.27  0.00 ! #SUP  3.75
!assign  ((resid   13 and name HB2  )) ((resid   13 and name HE21 ))   5.50  3.70  0.00 ! #SUP  3.54
assign  ((resid   13 and name HB2  )) ((resid   47 and name HA   ))   4.81  3.01  0.00 ! #SUP  5.59
assign  ((resid   13 and name HB2  )) ((resid   47 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.82
assign  ((resid   13 and name HG1  )) ((resid   14 and name HN   ))   5.05  3.25  0.00 ! #SUP  6.57
assign  ((resid   13 and name HG1  )) ((resid   47 and name HA   ))   4.24  2.44  0.00 ! #SUP  5.02
assign  ((resid   13 and name HG1  )) ((resid   47 and name HB2  ))   4.35  2.55  0.00 ! #SUP  0.75
assign  ((resid   13 and name HG2  )) ((resid   14 and name HN   ))   4.87  3.07  0.00 ! #SUP  7.13
assign  ((resid   13 and name HG2  )) ((resid   47 and name HA   ))   4.51  2.71  0.00 ! #SUP  3.24
assign  ((resid   13 and name HN   )) ((resid   13 and name HB1  ))   3.67  1.87  0.00 ! #SUP  5.16
assign  ((resid   13 and name HN   )) ((resid   14 and name HN   ))   3.84  2.04  0.00 ! #SUP  8.04
!assign  ((resid   13 and name HN   )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.40 diagonal
assign  ((resid   13 and name HN   )) ((resid   46 and name HA   ))   4.06  2.26  0.00 ! #SUP  3.89
assign  ((resid   13 and name HN   )) ((resid   46 and name HG2* ))   5.50  3.70  0.00 ! #SUP  3.83
assign  ((resid   13 and name HN   )) ((resid   47 and name HA   ))   5.21  3.41  0.00 ! #SUP  5.28
assign  ((resid   13 and name HN   )) ((resid   47 and name HN   ))   4.91  3.11  0.00 ! #SUP  7.25
assign  ((resid   14 and name HA   )) ((resid   14 and name HB2  ))   3.03  1.23  0.00 ! #SUP  3.00
assign  ((resid   14 and name HB1  )) ((resid   15 and name HN   ))   4.84  3.04  0.00 ! #SUP  3.89
assign  ((resid   14 and name HB2  )) ((resid   15 and name HN   ))   5.01  3.21  0.00 ! #SUP  3.89
assign  ((resid   14 and name HN   )) ((resid   14 and name HB1  ))   3.57  1.77  0.00 ! #SUP  5.21
assign  ((resid   14 and name HN   )) ((resid   14 and name HB2  ))   3.65  1.85  0.00 ! #SUP  5.21
assign  ((resid   14 and name HN   )) ((resid   15 and name HA1  ))   4.48  2.68  0.00 ! #SUP  3.82
assign  ((resid   14 and name HN   )) ((resid   15 and name HA2  ))   4.83  3.03  0.00 ! #SUP  3.82
!assign  ((resid   14 and name HN   )) ((resid   15 and name HN   ))   3.53  1.73  0.00 ! #SUP  6.90 diagonal
!assign  ((resid   14 and name HN   )) ((resid   16 and name HN   ))   3.80  2.00  0.00 ! #SUP  3.00 diagonal
assign  ((resid   15 and name HA1  )) ((resid   31 and name HB1  ))   4.15  2.35  0.00 ! #SUP  4.30
assign  ((resid   15 and name HA1  )) ((resid   31 and name HB2  ))   4.36  2.56  0.00 ! #SUP  3.30
assign  ((resid   15 and name HA2  )) ((resid   31 and name HA   ))   2.90  1.10  0.00 ! #SUP  2.58
assign  ((resid   15 and name HA2  )) ((resid   31 and name HB1  ))   4.21  2.41  0.00 ! #SUP  6.17
assign  ((resid   15 and name HA2  )) ((resid   31 and name HB2  ))   4.43  2.63  0.00 ! #SUP  5.08
assign  ((resid   15 and name HA2  )) ((resid   31 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.97
assign  ((resid   15 and name HN   )) ((resid   16 and name HN   ))   3.61  1.81  0.00 ! #SUP  3.96
assign  ((resid   16 and name HA   )) ((resid   17 and name HN   ))   3.29  1.49  0.00 ! #SUP  5.74
assign  ((resid   16 and name HB1  )) ((resid   17 and name HN   ))   3.68  1.88  0.00 ! #SUP  4.99
assign  ((resid   16 and name HB1  )) ((resid   29 and name HN   ))   5.33  3.53  0.00 ! #SUP  3.67
assign  ((resid   16 and name HB2  )) ((resid   17 and name HN   ))   3.83  2.03  0.00 ! #SUP  4.99
assign  ((resid   16 and name HB2  )) ((resid   29 and name HN   ))   5.36  3.56  0.00 ! #SUP  3.13
assign  ((resid   16 and name HN   )) ((resid   16 and name HB1  ))   3.92  2.12  0.00 ! #SUP  4.29
assign  ((resid   16 and name HN   )) ((resid   16 and name HB2  ))   3.93  2.13  0.00 ! #SUP  4.09
assign  ((resid   16 and name HN   )) ((resid   17 and name HN   ))   4.60  2.80  0.00 ! #SUP  5.35
!assign  ((resid   17 and name HA   )) ((resid   17 and name HD*  ))   4.31  2.51  0.00 ! #SUP  6.95
assign  ((resid   17 and name HA   )) ((resid   18 and name HN   ))   3.33  1.53  0.00 ! #SUP  6.39
!assign  ((resid   17 and name HB1  )) ((resid   17 and name HD*  ))   3.61  1.81  0.00 ! #SUP  6.75
assign  ((resid   17 and name HB1  )) ((resid   18 and name HN   ))   4.28  2.48  0.00 ! #SUP  5.91
assign  ((resid   17 and name HB1  )) ((resid   29 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.06
!assign  ((resid   17 and name HB2  )) ((resid   17 and name HD*  ))   3.05  1.25  0.00 ! #SUP  6.86
assign  ((resid   17 and name HB2  )) ((resid   29 and name HG*  ))   4.99  3.19  0.00 ! #SUP  3.65
!assign  ((resid   17 and name HG2  )) ((resid   17 and name HD*  ))   3.05  1.25  0.00 ! #SUP  7.44
assign  ((resid   17 and name HG2  )) ((resid   18 and name HN   ))   5.39  3.59  0.00 ! #SUP  6.07
!assign  ((resid   17 and name HN   )) ((resid   17 and name HD*  ))   5.13  3.33  0.00 ! #SUP  8.26
!assign  ((resid   17 and name HN   )) ((resid   17 and name HG2  ))   4.89  3.09  0.00 ! #SUP  8.66
assign  ((resid   17 and name HN   )) ((resid   28 and name HA   ))   4.98  3.18  0.00 ! #SUP  3.70
assign  ((resid   17 and name HN   )) ((resid   29 and name HG*  ))   4.97  3.17  0.00 ! #SUP  3.73
!assign  ((resid   18 and name HA   )) ((resid   18 and name HG1* ))   3.55  1.75  0.00 ! #SUP  3.31
!assign  ((resid   18 and name HA   )) ((resid   18 and name HG2* ))   3.50  1.70  0.00 ! #SUP  3.91
assign  ((resid   18 and name HA   )) ((resid   19 and name HN   ))   3.32  1.52  0.00 ! #SUP  4.04
assign  ((resid   18 and name HA   )) ((resid   27 and name HN   ))   4.70  2.90  0.00 ! #SUP  4.06
assign  ((resid   18 and name HA   )) ((resid   28 and name HA   ))   3.51  1.71  0.00 ! #SUP  7.08
assign  ((resid   18 and name HA   )) ((resid   28 and name HN   ))   4.78  2.98  0.00 ! #SUP  4.17
assign  ((resid   18 and name HB   )) ((resid   52 and name HD1* ))   5.21  3.41  0.00 ! #SUP  2.46
assign  ((resid   18 and name HG1* )) ((resid   28 and name HA   ))   4.21  2.41  0.00 ! #SUP  6.10
assign  ((resid   18 and name HG1* )) ((resid   29 and name HN   ))   5.20  3.40  0.00 ! #SUP  4.19
!assign  ((resid   18 and name HG1* )) ((resid   52 and name HD1* ))   4.79  2.99  0.00 ! #SUP  1.50
assign  ((resid   18 and name HG2* )) ((resid   19 and name HA   ))   4.89  3.09  0.00 ! #SUP  5.67
assign  ((resid   18 and name HG2* )) ((resid   19 and name HN   ))   3.91  2.11  0.00 ! #SUP  5.91
assign  ((resid   18 and name HG2* )) ((resid   27 and name HN   ))   4.78  2.98  0.00 ! #SUP  4.53
assign  ((resid   18 and name HG2* )) ((resid   28 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.28
assign  ((resid   18 and name HN   )) ((resid   18 and name HB   ))   3.71  1.91  0.00 ! #SUP  6.06
!assign  ((resid   18 and name HN   )) ((resid   18 and name HG1* ))   4.24  2.44  0.00 ! #SUP  4.42
assign  ((resid   18 and name HN   )) ((resid   19 and name HN   ))   5.24  3.44  0.00 ! #SUP  3.56
assign  ((resid   18 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  1.50
assign (resid 18 and name HG1#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.92
assign (resid 18 and name HG1#) (resid 12 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.93
assign (resid 18 and name HG1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.91
assign (resid 18 and name HG1#) (resid 44 and name HE#) 5.500 3.7 0.0 !   mhnoesy_final2.90
assign (resid 18 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.89
assign (resid 18 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.80
assign (resid 18 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.76
!assign (resid 19 and name HD2) (resid 19 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.253
!assign (resid 19 and name HD2) (resid 19 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.263
!assign (resid 19 and name HD2) (resid 19 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.264
!assign (resid 19 and name HE1) (resid 19 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.1
!assign (resid 19 and name HE1) (resid 19 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.7
!assign (resid 19 and name HE1) (resid 19 and name HD2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.0
assign  ((resid   19 and name HB1  )) ((resid   20 and name HN   ))   4.20  2.40  0.00 ! #SUP  4.07
assign  ((resid   19 and name HB1  )) ((resid   27 and name HN   ))   4.77  2.97  0.00 ! #SUP  2.31
assign  ((resid   19 and name HB2  )) ((resid   20 and name HN   ))   4.37  2.57  0.00 ! #SUP  4.18
assign  ((resid   19 and name HN   )) ((resid   19 and name HB1  ))   4.17  2.37  0.00 ! #SUP  4.44
assign  ((resid   19 and name HN   )) ((resid   19 and name HB2  ))   3.82  2.02  0.00 ! #SUP  4.64
assign  ((resid   19 and name HN   )) ((resid   20 and name HA   ))   5.18  3.38  0.00 ! #SUP  4.02
assign  ((resid   19 and name HN   )) ((resid   20 and name HN   ))   5.16  3.36  0.00 ! #SUP  6.52
assign  ((resid   19 and name HN   )) ((resid   21 and name HD*  ))   5.34  3.54  0.00 ! #SUP  2.00
assign  ((resid   19 and name HN   )) ((resid   27 and name HA1  ))   5.50  3.70  0.00 ! #SUP  2.38
assign  ((resid   19 and name HN   )) ((resid   27 and name HN   ))   3.85  2.05  0.00 ! #SUP  8.19
assign (resid 19 and name HD2) (resid 17 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.271
assign (resid 19 and name HD2) (resid 17 and name HD#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.269
assign (resid 19 and name HD2) (resid 18 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.273
assign (resid 19 and name HD2) (resid 18 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.274
assign (resid 19 and name HD2) (resid 27 and name HA1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.256
assign (resid 19 and name HD2) (resid 28 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.252
assign (resid 19 and name HD2) (resid 29 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.254
assign (resid 19 and name HD2) (resid 29 and name HG#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.265
assign (resid 19 and name HD2) (resid 6 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.277
assign (resid 19 and name HD2) (resid 6 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.275
assign (resid 19 and name HD2) (resid 9 and name HB) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.262
assign (resid 19 and name HE1) (resid 1 and name HG##) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.18
assign (resid 19 and name HE1) (resid 17 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.2
assign (resid 19 and name HE1) (resid 17 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.15
assign (resid 19 and name HE1) (resid 29 and name HG#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.8
assign (resid 19 and name HE1) (resid 6 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.19
assign (resid 19 and name HE1) (resid 6 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.17
!assign (resid 20 and name HG1#) (resid 1 and name HG##) 6.000 4.2 0.0 !   mhnoesy_final2.82
!assign  ((resid   20 and name HA   )) ((resid   20 and name HG1* ))   3.24  1.44  0.00 ! #SUP  4.84
!assign  ((resid   20 and name HA   )) ((resid   20 and name HG2* ))   3.30  1.50  0.00 ! #SUP  4.68
assign  ((resid   20 and name HA   )) ((resid   21 and name HB1  ))   4.49  2.69  0.00 ! #SUP  4.87
assign  ((resid   20 and name HA   )) ((resid   21 and name HD*  ))   4.77  2.97  0.00 ! #SUP  5.71
assign  ((resid   20 and name HA   )) ((resid   21 and name HN   ))   3.21  1.41  0.00 ! #SUP  5.72
assign  ((resid   20 and name HA   )) ((resid   26 and name HA   ))   3.42  1.62  0.00 ! #SUP  7.31
assign  ((resid   20 and name HA   )) ((resid   27 and name HN   ))   4.35  2.55  0.00 ! #SUP  7.07
assign  ((resid   20 and name HG1* )) ((resid   21 and name HB1  ))   5.50  3.70  0.00 ! #SUP  3.23
assign  ((resid   20 and name HG1* )) ((resid   21 and name HN   ))   3.76  1.96  0.00 ! #SUP  4.08
assign  ((resid   20 and name HG1* )) ((resid   24 and name HA1  ))   4.48  2.68  0.00 ! #SUP  2.24
assign  ((resid   20 and name HG1* )) ((resid   24 and name HA2  ))   4.82  3.02  0.00 ! #SUP  2.24
assign  ((resid   20 and name HG1* )) ((resid   24 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.28
assign  ((resid   20 and name HG1* )) ((resid   25 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.99
assign  ((resid   20 and name HG2* )) ((resid   26 and name HB1  ))   5.46  3.66  0.00 ! #SUP  6.04
!assign  ((resid   20 and name HG2* )) ((resid   59 and name HD1* ))   3.96  2.16  0.00 ! #SUP  0.88
assign  ((resid   20 and name HN   )) ((resid   20 and name HB   ))   3.67  1.87  0.00 ! #SUP  6.02
!assign  ((resid   20 and name HN   )) ((resid   20 and name HG2* ))   3.84  2.04  0.00 ! #SUP  4.93
assign  ((resid   20 and name HN   )) ((resid   21 and name HA   ))   5.50  3.70  0.00 ! #SUP  4.24
assign  ((resid   20 and name HN   )) ((resid   21 and name HD*  ))   5.50  3.70  0.00 ! #SUP  4.93
assign  ((resid   20 and name HN   )) ((resid   21 and name HN   ))   5.41  3.61  0.00 ! #SUP  4.95
assign (resid 20 and name HG1#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.138
assign (resid 20 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.81
assign (resid 20 and name HG1#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.84
assign (resid 20 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.83
assign (resid 20 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.71
assign (resid 20 and name HG2#) (resid 59 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.75
assign (resid 20 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.72
assign (resid 20 and name HG2#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.73
!assign (resid 21 and name HD#) (resid 21 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.147
!assign (resid 21 and name HD#) (resid 21 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.164
!assign (resid 21 and name HD#) (resid 21 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.167
!assign (resid 21 and name HD#) (resid 22 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.18
!assign (resid 21 and name HD#) (resid 23 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.16
!assign (resid 21 and name HD1) (resid 21 and name HN) 2.800 1.0 0.0 !   2dnoesy_aromHN.20
!assign (resid 21 and name HE#) (resid 21 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.146
!assign (resid 21 and name HE#) (resid 21 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.165
!assign (resid 21 and name HE#) (resid 21 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.169
!assign (resid 21 and name HE#) (resid 21 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.24
!assign (resid 21 and name HE1) (resid 21 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.21
!assign  ((resid   21 and name HA   )) ((resid   21 and name HD*  ))   3.84  2.04  0.00 ! #SUP  6.42
assign  ((resid   21 and name HA   )) ((resid   22 and name HA   ))   4.37  2.57  0.00 ! #SUP  5.99
assign  ((resid   21 and name HA   )) ((resid   22 and name HG*  ))   4.80  3.00  0.00 ! #SUP  6.25
assign  ((resid   21 and name HA   )) ((resid   22 and name HN   ))   3.49  1.69  0.00 ! #SUP  8.30
assign  ((resid   21 and name HA   )) ((resid   23 and name HN   ))   4.41  2.61  0.00 ! #SUP  7.72
assign  ((resid   21 and name HB1  )) ((resid   23 and name HN   ))   3.84  2.04  0.00 ! #SUP  6.64
assign  ((resid   21 and name HB1  )) ((resid   24 and name HN   ))   4.64  2.84  0.00 ! #SUP  7.72
assign  ((resid   21 and name HB1  )) ((resid   25 and name HB1  ))   4.82  3.02  0.00 ! #SUP  6.96
assign  ((resid   21 and name HB1  )) ((resid   25 and name HB2  ))   4.65  2.85  0.00 ! #SUP  5.56
assign  ((resid   21 and name HB1  )) ((resid   25 and name HE*  ))   4.27  2.47  0.00 ! #SUP  1.70
assign  ((resid   21 and name HB1  )) ((resid   25 and name HN   ))   4.27  2.47  0.00 ! #SUP  8.94
assign  ((resid   21 and name HB1  )) ((resid   26 and name HN   ))   5.01  3.21  0.00 ! #SUP  4.54
assign  ((resid   21 and name HB2  )) ((resid   22 and name HN   ))   3.80  2.00  0.00 ! #SUP  6.99
assign  ((resid   21 and name HB2  )) ((resid   23 and name HN   ))   3.78  1.98  0.00 ! #SUP  7.48
assign  ((resid   21 and name HB2  )) ((resid   24 and name HN   ))   4.95  3.15  0.00 ! #SUP  7.01
assign  ((resid   21 and name HB2  )) ((resid   25 and name HB2  ))   5.16  3.36  0.00 ! #SUP  4.85
assign  ((resid   21 and name HB2  )) ((resid   25 and name HN   ))   4.49  2.69  0.00 ! #SUP  6.18
!assign  ((resid   21 and name HD*  )) ((resid   22 and name HN   ))   4.43  2.63  0.00 ! #SUP  6.02
!assign  ((resid   21 and name HD*  )) ((resid   23 and name HN   ))   4.80  3.00  0.00 ! #SUP  5.27
!assign  ((resid   21 and name HD*  )) ((resid   25 and name HB2  ))   4.08  2.28  0.00 ! #SUP  4.57
!assign  ((resid   21 and name HD*  )) ((resid   25 and name HN   ))   4.60  2.80  0.00 ! #SUP  6.58
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HA   ))   3.72  1.92  0.00 ! #SUP  6.24
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HB2  ))   4.94  3.14  0.00 ! #SUP  0.02
!assign  ((resid   21 and name HD*  )) ((resid   26 and name HN   ))   4.42  2.62  0.00 ! #SUP  5.78
!assign  ((resid   21 and name HD*  )) ((resid   27 and name HA1  ))   4.26  2.46  0.00 ! #SUP  1.69
!assign  ((resid   21 and name HD*  )) ((resid   27 and name HN   ))   4.01  2.21  0.00 ! #SUP  5.40
!assign  ((resid   21 and name HE*  )) ((resid   27 and name HN   ))   5.16  3.36  0.00 ! #SUP  1.29
assign  ((resid   21 and name HN   )) ((resid   21 and name HB1  ))   3.74  1.94  0.00 ! #SUP  6.32
assign  ((resid   21 and name HN   )) ((resid   21 and name HB2  ))   3.92  2.12  0.00 ! #SUP  5.65
!assign  ((resid   21 and name HN   )) ((resid   21 and name HD*  ))   3.75  1.95  0.00 ! #SUP  6.49
assign  ((resid   21 and name HN   )) ((resid   22 and name HN   ))   4.69  2.89  0.00 ! #SUP  6.04
assign  ((resid   21 and name HN   )) ((resid   23 and name HN   ))   4.87  3.07  0.00 ! #SUP  6.62
assign  ((resid   21 and name HN   )) ((resid   24 and name HN   ))   5.14  3.34  0.00 ! #SUP  7.48
assign  ((resid   21 and name HN   )) ((resid   25 and name HA   ))   5.15  3.35  0.00 ! #SUP  2.73
assign  ((resid   21 and name HN   )) ((resid   25 and name HN   ))   4.85  3.05  0.00 ! #SUP  7.32
assign  ((resid   21 and name HN   )) ((resid   26 and name HA   ))   3.98  2.18  0.00 ! #SUP  5.19
assign (resid 21 and name HD#) (resid 1 and name HG##) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.187
assign (resid 21 and name HD#) (resid 19 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.149
assign (resid 21 and name HD#) (resid 19 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.173
assign (resid 21 and name HD#) (resid 19 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.175
assign (resid 21 and name HD#) (resid 19 and name HD2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.21
assign (resid 21 and name HD#) (resid 20 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.183
assign (resid 21 and name HD#) (resid 25 and name HN) 4.400 2.6 0.0 !   2dnoesy_aromHN.14
assign (resid 21 and name HD#) (resid 26 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.145
assign (resid 21 and name HD#) (resid 26 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.17
assign (resid 21 and name HD#) (resid 27 and name HA1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.151
assign (resid 21 and name HD#) (resid 27 and name HA2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.157
assign (resid 21 and name HD#) (resid 27 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.19
assign (resid 21 and name HD#) (resid 5 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.150
assign (resid 21 and name HD#) (resid 5 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.15
assign (resid 21 and name HD#) (resid 6 and name HG1#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.190
assign (resid 21 and name HD#) (resid 7 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.22
assign (resid 21 and name HE#) (resid 1 and name HG##) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.189
assign (resid 21 and name HE#) (resid 19 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.148
assign (resid 21 and name HE#) (resid 19 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.174
assign (resid 21 and name HE#) (resid 19 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.176
assign (resid 21 and name HE#) (resid 19 and name HD2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.22
assign (resid 21 and name HE#) (resid 26 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.144
assign (resid 21 and name HE#) (resid 27 and name HA1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.152
assign (resid 21 and name HE#) (resid 27 and name HA2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.160
assign (resid 21 and name HE#) (resid 6 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.191
!assign  ((resid   22 and name HA   )) ((resid   22 and name HB*  ))   2.83  1.03  0.00 ! #SUP  4.42
!assign  ((resid   22 and name HA   )) ((resid   22 and name HG*  ))   3.33  1.53  0.00 ! #SUP  5.05
!assign  ((resid   22 and name HB*  )) ((resid   22 and name HG*  ))   2.96  1.16  0.00 ! #SUP  5.45
assign  ((resid   22 and name HB*  )) ((resid   23 and name HN   ))   4.03  2.23  0.00 ! #SUP  7.15
!assign  ((resid   22 and name HD*  )) ((resid   22 and name HE*  ))   2.81  1.01  0.00 ! #SUP  1.31
assign  ((resid   22 and name HG*  )) ((resid   23 and name HN   ))   4.45  2.65  0.00 ! #SUP  7.51
assign  ((resid   22 and name HN   )) ((resid   22 and name HB*  ))   3.40  1.60  0.00 ! #SUP  6.30
!assign  ((resid   22 and name HN   )) ((resid   22 and name HD*  ))   4.80  3.00  0.00 ! #SUP  4.49
!assign  ((resid   22 and name HN   )) ((resid   22 and name HG*  ))   3.88  2.08  0.00 ! #SUP  6.53
assign  ((resid   22 and name HN   )) ((resid   23 and name HN   ))   3.73  1.93  0.00 ! #SUP  9.77
assign  ((resid   22 and name HN   )) ((resid   24 and name HN   ))   5.30  3.50  0.00 ! #SUP  5.13
!assign  ((resid   23 and name HA   )) ((resid   23 and name HB1  ))   2.99  1.19  0.00 ! #SUP  3.00
!assign  ((resid   23 and name HA   )) ((resid   23 and name HB2  ))   2.92  1.12  0.00 ! #SUP  3.00
assign  ((resid   23 and name HA   )) ((resid   25 and name HN   ))   5.17  3.37  0.00 ! #SUP  2.49
assign  ((resid   23 and name HB1  )) ((resid   24 and name HN   ))   4.87  3.07  0.00 ! #SUP  4.22
assign  ((resid   23 and name HB2  )) ((resid   24 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.22
assign  ((resid   23 and name HN   )) ((resid   23 and name HB1  ))   3.67  1.87  0.00 ! #SUP  4.92
assign  ((resid   23 and name HN   )) ((resid   23 and name HB2  ))   3.80  2.00  0.00 ! #SUP  4.92
assign  ((resid   23 and name HN   )) ((resid   24 and name HA1  ))   4.44  2.64  0.00 ! #SUP  4.10
assign  ((resid   23 and name HN   )) ((resid   24 and name HA2  ))   4.58  2.78  0.00 ! #SUP  4.10
!assign  ((resid   23 and name HN   )) ((resid   24 and name HN   ))   3.33  1.53  0.00 ! #SUP  9.01  diagonal
assign  ((resid   23 and name HN   )) ((resid   25 and name HB2  ))   5.50  3.70  0.00 ! #SUP  2.49
assign  ((resid   23 and name HN   )) ((resid   25 and name HN   ))   4.51  2.71  0.00 ! #SUP  5.00
assign  ((resid   24 and name HN   )) ((resid   25 and name HA   ))   5.13  3.33  0.00 ! #SUP  4.26
assign  ((resid   24 and name HN   )) ((resid   25 and name HB2  ))   5.06  3.26  0.00 ! #SUP  4.65
assign  ((resid   24 and name HN   )) ((resid   25 and name HN   ))   3.65  1.85  0.00 ! #SUP  7.36
!assign  ((resid   25 and name HA   )) ((resid   25 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.05
!assign  ((resid   25 and name HA   )) ((resid   25 and name HG1  ))   3.40  1.60  0.00 ! #SUP  6.61
!assign  ((resid   25 and name HA   )) ((resid   25 and name HG2  ))   3.68  1.88  0.00 ! #SUP  6.56
assign  ((resid   25 and name HA   )) ((resid   26 and name HN   ))   2.87  1.07  0.00 ! #SUP  5.39
!assign  ((resid   25 and name HB2  )) ((resid   25 and name HD*  ))   3.54  1.74  0.00 ! #SUP  4.76
!assign  ((resid   25 and name HD*  )) ((resid   25 and name HE*  ))   2.75  0.95  0.00 ! #SUP  3.62
!assign  ((resid   25 and name HG1  )) ((resid   25 and name HD*  ))   2.89  1.09  0.00 ! #SUP  6.31
assign  ((resid   25 and name HG1  )) ((resid   26 and name HN   ))   4.17  2.37  0.00 ! #SUP  5.80
!assign  ((resid   25 and name HG2  )) ((resid   25 and name HD*  ))   2.92  1.12  0.00 ! #SUP  5.31
assign  ((resid   25 and name HG2  )) ((resid   26 and name HN   ))   4.36  2.56  0.00 ! #SUP  5.75
!assign  ((resid   25 and name HN   )) ((resid   25 and name HB1  ))   3.65  1.85  0.00 ! #SUP  7.03
!assign  ((resid   25 and name HN   )) ((resid   25 and name HB2  ))   3.52  1.72  0.00 ! #SUP  7.30
!assign  ((resid   25 and name HN   )) ((resid   25 and name HD*  ))   4.73  2.93  0.00 ! #SUP  7.42
!assign  ((resid   25 and name HN   )) ((resid   25 and name HE*  ))   5.50  3.70  0.00 ! #SUP  5.33
!assign  ((resid   25 and name HN   )) ((resid   25 and name HG1  ))   4.09  2.29  0.00 ! #SUP  8.01
!assign  ((resid   25 and name HN   )) ((resid   25 and name HG2  ))   3.83  2.03  0.00 ! #SUP  7.93
assign  ((resid   25 and name HN   )) ((resid   26 and name HN   ))   4.53  2.73  0.00 ! #SUP  5.68
!assign  ((resid   26 and name HA   )) ((resid   26 and name HG1  ))   3.91  2.11  0.00 ! #SUP  4.99
!assign  ((resid   26 and name HA   )) ((resid   26 and name HG2  ))   3.99  2.19  0.00 ! #SUP  4.18
assign  ((resid   26 and name HA   )) ((resid   27 and name HN   ))   3.20  1.40  0.00 ! #SUP  4.94
!assign  ((resid   26 and name HB1  )) ((resid   26 and name HE#  ))   2.40  0.60  0.00 ! #SUP  3.17
assign  ((resid   26 and name HE#  )) ((resid   59 and name HB   ))   2.66  0.86  0.00 ! #SUP  1.50
assign  ((resid   26 and name HE#  )) ((resid   59 and name HG12 ))   4.64  2.84  0.00 ! #SUP  2.35
assign  ((resid   26 and name HN   )) ((resid   27 and name HN   ))   4.65  2.85  0.00 ! #SUP  3.86
assign (resid 26 and name HE# ) (resid 20 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.49
assign (resid 26 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.47
assign (resid 26 and name HE# ) (resid 59 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.50
assign  ((resid   27 and name HA1  )) ((resid   28 and name HN   ))   3.47  1.67  0.00 ! #SUP  3.13
assign  ((resid   27 and name HA2  )) ((resid   28 and name HN   ))   3.33  1.53  0.00 ! #SUP  3.18
!assign  ((resid   28 and name HA   )) ((resid   28 and name HG2  ))   4.13  2.33  0.00 ! #SUP  4.91
assign  ((resid   28 and name HA   )) ((resid   29 and name HA   ))   5.03  3.23  0.00 ! #SUP  3.99
assign  ((resid   28 and name HA   )) ((resid   29 and name HN   ))   3.30  1.50  0.00 ! #SUP  5.24
assign  ((resid   28 and name HN   )) ((resid   28 and name HB1  ))   3.87  2.07  0.00 ! #SUP  4.41
assign  ((resid   28 and name HN   )) ((resid   28 and name HB2  ))   3.62  1.82  0.00 ! #SUP  4.78
assign (resid 28 and name HE# ) (resid 12 and name HD1#) 5.500 3.7 0.0 !   mhnoesy_final2.54
assign (resid 28 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.53
assign (resid 28 and name HE# ) (resid 18 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.52
assign (resid 28 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.51
!assign  ((resid   29 and name HA   )) ((resid   29 and name HG*  ))   3.93  2.13  0.00 ! #SUP  4.31
assign  ((resid   29 and name HA   )) ((resid   30 and name HN   ))   3.05  1.25  0.00 ! #SUP  4.58
assign  ((resid   29 and name HA   )) ((resid   34 and name HN   ))   4.41  2.61  0.00 ! #SUP  4.20
assign  ((resid   29 and name HA   )) ((resid   35 and name HA   ))   3.84  2.04  0.00 ! #SUP  3.34
assign  ((resid   29 and name HA   )) ((resid   35 and name HB*  ))   4.23  2.43  0.00 ! #SUP  2.57
assign  ((resid   29 and name HA   )) ((resid   36 and name HG*  ))   4.04  2.24  0.00 ! #SUP  2.94
assign  ((resid   29 and name HA   )) ((resid   36 and name HN   ))   3.73  1.93  0.00 ! #SUP  4.61
assign  ((resid   29 and name HB1  )) ((resid   33 and name HA2  ))   4.84  3.04  0.00 ! #SUP  0.75
assign  ((resid   29 and name HG*  )) ((resid   30 and name HN   ))   4.46  2.66  0.00 ! #SUP  4.61
assign  ((resid   29 and name HG*  )) ((resid   33 and name HN   ))   5.04  3.24  0.00 ! #SUP  3.12
assign  ((resid   29 and name HG*  )) ((resid   34 and name HN   ))   5.16  3.36  0.00 ! #SUP  5.57
assign  ((resid   29 and name HG*  )) ((resid   35 and name HN   ))   5.50  3.70  0.00 ! #SUP  1.50
assign  ((resid   29 and name HG*  )) ((resid   36 and name HN   ))   4.98  3.18  0.00 ! #SUP  3.23
assign  ((resid   29 and name HN   )) ((resid   29 and name HB1  ))   3.92  2.12  0.00 ! #SUP  4.49
assign  ((resid   29 and name HN   )) ((resid   29 and name HG*  ))   4.16  2.36  0.00 ! #SUP  5.65
!assign  ((resid   29 and name HN   )) ((resid   30 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.59 diagonal
!assign  ((resid   30 and name HA   )) ((resid   30 and name HD2* ))   5.50  3.70  0.00 ! #SUP  4.22
assign  ((resid   30 and name HA   )) ((resid   31 and name HN   ))   3.57  1.77  0.00 ! #SUP  6.08
assign  ((resid   30 and name HB1  )) ((resid   31 and name HN   ))   3.72  1.92  0.00 ! #SUP  7.64
assign  ((resid   30 and name HB1  )) ((resid   32 and name HE*  ))   4.70  2.90  0.00 ! #SUP  1.23
assign  ((resid   30 and name HB1  )) ((resid   32 and name HN   ))   4.71  2.91  0.00 ! #SUP  5.99
assign  ((resid   30 and name HB1  )) ((resid   34 and name HN   ))   5.22  3.42  0.00 ! #SUP  3.77
assign  ((resid   30 and name HB1  )) ((resid   36 and name HG*  ))   5.35  3.55  0.00 ! #SUP  2.85
assign  ((resid   30 and name HB2  )) ((resid   31 and name HN   ))   3.96  2.16  0.00 ! #SUP  7.51
assign  ((resid   30 and name HD2* )) ((resid   31 and name HN   ))   5.50  3.70  0.00 ! #SUP  9.31
assign  ((resid   30 and name HD2* )) ((resid   32 and name HB1  ))   5.50  3.70  0.00 ! #SUP  3.66
assign  ((resid   30 and name HD2* )) ((resid   32 and name HD*  ))   5.50  3.70  0.00 ! #SUP  3.66
assign  ((resid   30 and name HD2* )) ((resid   32 and name HN   ))   3.65  1.85  0.00 ! #SUP  8.91
assign  ((resid   30 and name HD2* )) ((resid   33 and name HN   ))   4.35  2.55  0.00 ! #SUP  8.59
assign  ((resid   30 and name HD2* )) ((resid   34 and name HB1  ))   4.98  3.18  0.00 ! #SUP  3.20
assign  ((resid   30 and name HD2* )) ((resid   34 and name HB2  ))   5.14  3.34  0.00 ! #SUP  4.15
assign  ((resid   30 and name HD2* )) ((resid   34 and name HG2  ))   5.50  3.70  0.00 ! #SUP  5.03
assign  ((resid   30 and name HD2* )) ((resid   34 and name HN   ))   5.30  3.50  0.00 ! #SUP  9.80
assign  ((resid   30 and name HN   )) ((resid   30 and name HB1  ))   3.88  2.08  0.00 ! #SUP  5.40
assign  ((resid   30 and name HN   )) ((resid   30 and name HB2  ))   4.05  2.25  0.00 ! #SUP  5.54
!assign  ((resid   30 and name HN   )) ((resid   30 and name HD2* ))   5.28  3.48  0.00 ! #SUP  5.40
assign  ((resid   30 and name HN   )) ((resid   31 and name HN   ))   5.15  3.35  0.00 ! #SUP  7.66
assign  ((resid   30 and name HN   )) ((resid   32 and name HN   ))   4.62  2.82  0.00 ! #SUP  7.24
assign  ((resid   30 and name HN   )) ((resid   33 and name HN   ))   4.90  3.10  0.00 ! #SUP  8.02
assign  ((resid   30 and name HN   )) ((resid   34 and name HG2  ))   5.50  3.70  0.00 ! #SUP  3.91
assign  ((resid   30 and name HN   )) ((resid   34 and name HN   ))   3.70  1.90  0.00 ! #SUP 10.00
assign  ((resid   30 and name HN   )) ((resid   36 and name HG*  ))   4.21  2.41  0.00 ! #SUP  4.58
!assign  ((resid   31 and name HA   )) ((resid   31 and name HB2  ))   3.01  1.21  0.00 ! #SUP  6.10
!assign  ((resid   31 and name HB1  )) ((resid   31 and name HE*  ))   4.62  2.82  0.00 ! #SUP  8.49
assign  ((resid   31 and name HB1  )) ((resid   32 and name HE*  ))   5.32  3.52  0.00 ! #SUP  4.33
assign  ((resid   31 and name HB1  )) ((resid   32 and name HN   ))   4.63  2.83  0.00 ! #SUP 10.00
!assign  ((resid   31 and name HB2  )) ((resid   31 and name HE*  ))   5.24  3.44  0.00 ! #SUP  7.86
assign  ((resid   31 and name HB2  )) ((resid   32 and name HN   ))   5.33  3.53  0.00 ! #SUP  9.93
assign  ((resid   31 and name HE*  )) ((resid   32 and name HN   ))   5.43  3.63  0.00 ! #SUP  9.74
!assign  ((resid   31 and name HG1  )) ((resid   31 and name HE*  ))   4.18  2.38  0.00 ! #SUP  7.74
assign  ((resid   31 and name HG1  )) ((resid   32 and name HN   ))   4.38  2.58  0.00 ! #SUP  9.93
!assign  ((resid   31 and name HG2  )) ((resid   31 and name HE*  ))   3.54  1.74  0.00 ! #SUP  7.87
assign  ((resid   31 and name HG2  )) ((resid   32 and name HN   ))   4.25  2.45  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   31 and name HB1  ))   3.67  1.87  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   31 and name HB2  ))   3.87  2.07  0.00 ! #SUP  9.72
!assign  ((resid   31 and name HN   )) ((resid   31 and name HE*  ))   5.18  3.38  0.00 ! #SUP  9.53
!assign  ((resid   31 and name HN   )) ((resid   31 and name HG1  ))   4.15  2.35  0.00 ! #SUP  9.72
!assign  ((resid   31 and name HN   )) ((resid   31 and name HG2  ))   3.79  1.99  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   32 and name HB1  ))   5.50  3.70  0.00 ! #SUP  7.20
assign  ((resid   31 and name HN   )) ((resid   32 and name HD*  ))   5.50  3.70  0.00 ! #SUP  6.58
assign  ((resid   31 and name HN   )) ((resid   32 and name HN   ))   3.85  2.05  0.00 ! #SUP 10.00
assign  ((resid   31 and name HN   )) ((resid   33 and name HN   ))   4.46  2.66  0.00 ! #SUP  6.05
!assign (resid 32 and name HD#) (resid 32 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.44
!assign (resid 32 and name HD#) (resid 32 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.49
!assign (resid 32 and name HD#) (resid 32 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.51
!assign (resid 32 and name HE#) (resid 32 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.33
!assign (resid 32 and name HE#) (resid 32 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.35
!assign (resid 32 and name HE#) (resid 32 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.36
!assign (resid 32 and name HE#) (resid 32 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.30
!assign (resid 32 and name HE#) (resid 32 and name HZ) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.29
!assign (resid 32 and name HZ) (resid 32 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.43
!assign (resid 32 and name HZ) (resid 32 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.48
!assign (resid 32 and name HZ) (resid 32 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.52
!assign (resid 32 and name HZ) (resid 32 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.28
!assign  ((resid   32 and name HA   )) ((resid   32 and name HB2  ))   2.66  0.86  0.00 ! #SUP  3.50
assign  ((resid   32 and name HB1  )) ((resid   33 and name HN   ))   4.57  2.77  0.00 ! #SUP  7.53
assign  ((resid   32 and name HB1  )) ((resid   34 and name HN   ))   4.38  2.58  0.00 ! #SUP  5.23
assign  ((resid   32 and name HD*  )) ((resid   33 and name HN   ))   5.16  3.36  0.00 ! #SUP  5.48
assign  ((resid   32 and name HD*  )) ((resid   34 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.91
assign  ((resid   32 and name HN   )) ((resid   32 and name HB1  ))   3.51  1.71  0.00 ! #SUP  7.52
assign  ((resid   32 and name HN   )) ((resid   32 and name HD*  ))   4.10  2.30  0.00 ! #SUP  6.79
assign  ((resid   32 and name HN   )) ((resid   33 and name HA2  ))   4.60  2.80  0.00 ! #SUP  3.59
assign  ((resid   32 and name HN   )) ((resid   33 and name HN   ))   3.32  1.52  0.00 ! #SUP  7.44
assign  ((resid   32 and name HN   )) ((resid   34 and name HN   ))   4.14  2.34  0.00 ! #SUP  5.25
assign (resid 32 and name HD#) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.60
assign (resid 32 and name HD#) (resid 31 and name HE#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.54
assign (resid 32 and name HD#) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.62
assign (resid 32 and name HD#) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.64
assign (resid 32 and name HD#) (resid 34 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.50
assign (resid 32 and name HE#) (resid 31 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.38
assign (resid 32 and name HE#) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.40
assign (resid 32 and name HE#) (resid 31 and name HD#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.39
assign (resid 32 and name HE#) (resid 31 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.37
assign (resid 32 and name HE#) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.41
assign (resid 32 and name HE#) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.42
assign (resid 32 and name HZ) (resid 31 and name HB2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.59
assign (resid 32 and name HZ) (resid 31 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.53
assign (resid 32 and name HZ) (resid 31 and name HG1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.61
assign (resid 32 and name HZ) (resid 31 and name HG2) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.63
assign  ((resid   33 and name HN   )) ((resid   34 and name HN   ))   3.37  1.57  0.00 ! #SUP  7.46
!assign  ((resid   34 and name HA   )) ((resid   34 and name HD*  ))   3.70  1.90  0.00 ! #SUP  6.61
!assign  ((resid   34 and name HA   )) ((resid   34 and name HG1  ))   4.24  2.44  0.00 ! #SUP  6.23
!assign  ((resid   34 and name HA   )) ((resid   34 and name HG2  ))   4.09  2.29  0.00 ! #SUP  6.64
assign  ((resid   34 and name HA   )) ((resid   35 and name HN   ))   2.78  0.98  0.00 ! #SUP  6.63
assign  ((resid   34 and name HB1  )) ((resid   35 and name HN   ))   3.96  2.16  0.00 ! #SUP  5.97
assign  ((resid   34 and name HB2  )) ((resid   35 and name HN   ))   3.64  1.84  0.00 ! #SUP  5.91
assign  ((resid   34 and name HD*  )) ((resid   35 and name HN   ))   4.23  2.43  0.00 ! #SUP  6.24
!assign  ((resid   34 and name HG2  )) ((resid   34 and name HD*  ))   2.63  0.83  0.00 ! #SUP  6.92
!assign  ((resid   34 and name HG2  )) ((resid   34 and name HE*  ))   3.87  2.07  0.00 ! #SUP  3.75
assign  ((resid   34 and name HG2  )) ((resid   35 and name HN   ))   4.45  2.65  0.00 ! #SUP  6.26
assign  ((resid   34 and name HN   )) ((resid   34 and name HB1  ))   3.27  1.47  0.00 ! #SUP  7.13
assign  ((resid   34 and name HN   )) ((resid   34 and name HD*  ))   4.27  2.47  0.00 ! #SUP  7.44
!assign  ((resid   34 and name HN   )) ((resid   34 and name HG1  ))   3.80  2.00  0.00 ! #SUP  7.39
!assign  ((resid   34 and name HN   )) ((resid   34 and name HG2  ))   4.14  2.34  0.00 ! #SUP  7.52
assign  ((resid   34 and name HN   )) ((resid   35 and name HN   ))   4.77  2.97  0.00 ! #SUP  6.06
assign  ((resid   35 and name HN   )) ((resid   35 and name HB*  ))   2.99  1.19  0.00 ! #SUP  4.06
assign  ((resid   35 and name HN   )) ((resid   36 and name HG*  ))   5.50  3.70  0.00 ! #SUP  3.03
!assign  ((resid   35 and name HN   )) ((resid   36 and name HN   ))   4.69  2.89  0.00 ! #SUP  3.09 diagonal
!assign  ((resid   36 and name HA   )) ((resid   36 and name HB1  ))   2.99  1.19  0.00 ! #SUP  4.28
!assign  ((resid   36 and name HA   )) ((resid   36 and name HG*  ))   4.27  2.47  0.00 ! #SUP  4.97
assign  ((resid   36 and name HA   )) ((resid   37 and name HD2* ))   4.44  2.64  0.00 ! #SUP  2.78
assign  ((resid   36 and name HA   )) ((resid   37 and name HN   ))   3.22  1.42  0.00 ! #SUP  5.31
!assign  ((resid   36 and name HB2  )) ((resid   36 and name HE#  ))   2.83  1.03  0.00 ! #SUP  2.68
assign  ((resid   36 and name HB2  )) ((resid   37 and name HN   ))   3.74  1.94  0.00 ! #SUP  4.90
!!assign  ((resid   36 and name HG*  )) ((resid   36 and name HE#  ))   2.96  1.16  0.00 ! #SUP  2.68
assign  ((resid   36 and name HG*  )) ((resid   37 and name HN   ))   4.60  2.80  0.00 ! #SUP  4.94
!assign  ((resid   36 and name HN   )) ((resid   36 and name HG*  ))   3.75  1.95  0.00 ! #SUP  5.84
!assign  ((resid   36 and name HN   )) ((resid   37 and name HN   ))   4.91  3.11  0.00 ! #SUP  4.70 diagonal
assign (resid 36 and name HE# ) (resid 28 and name HE# ) 5.500 3.7 0.0 !   mhnoesy_final2.42
assign  ((resid   37 and name HA   )) ((resid   38 and name HN   ))   2.97  1.17  0.00 ! #SUP  3.81
!assign  ((resid   37 and name HB1  )) ((resid   37 and name HD2* ))   4.04  2.24  0.00 ! #SUP  2.91
assign  ((resid   37 and name HB1  )) ((resid   38 and name HN   ))   4.13  2.33  0.00 ! #SUP  4.24
assign  ((resid   37 and name HB2  )) ((resid   38 and name HN   ))   3.90  2.10  0.00 ! #SUP  3.81
assign  ((resid   37 and name HN   )) ((resid   37 and name HB1  ))   3.30  1.50  0.00 ! #SUP  5.69
!assign  ((resid   37 and name HN   )) ((resid   37 and name HD2* ))   5.08  3.28  0.00 ! #SUP  3.59
!assign  ((resid   37 and name HN   )) ((resid   38 and name HN   ))   4.77  2.97  0.00 ! #SUP  4.03 diagonal
assign  ((resid   38 and name HA   )) ((resid   39 and name HA   ))   4.40  2.60  0.00 ! #SUP  6.30
assign  ((resid   38 and name HA   )) ((resid   39 and name HD1  ))   3.39  1.59  0.00 ! #SUP  8.56
assign  ((resid   38 and name HA   )) ((resid   39 and name HD2  ))   3.61  1.81  0.00 ! #SUP  8.24
assign  ((resid   38 and name HA   )) ((resid   39 and name HG1  ))   4.63  2.83  0.00 ! #SUP  6.22
assign  ((resid   38 and name HA   )) ((resid   39 and name HG2  ))   4.79  2.99  0.00 ! #SUP  6.91
assign  ((resid   38 and name HG1  )) ((resid   39 and name HD1  ))   4.53  2.73  0.00 ! #SUP  7.27
assign  ((resid   38 and name HG1  )) ((resid   39 and name HD2  ))   5.35  3.55  0.00 ! #SUP  7.04
assign  ((resid   38 and name HG1  )) ((resid   39 and name HG2  ))   4.97  3.17  0.00 ! #SUP  5.65
!assign  ((resid   38 and name HG2  )) ((resid   38 and name HE#  ))   4.06  2.26  0.00 ! #SUP  2.91
assign  ((resid   38 and name HG2  )) ((resid   39 and name HD1  ))   4.87  3.07  0.00 ! #SUP  5.54
assign  ((resid   38 and name HN   )) ((resid   38 and name HB1  ))   3.60  1.80  0.00 ! #SUP  5.83
assign  ((resid   38 and name HN   )) ((resid   38 and name HB2  ))   3.45  1.65  0.00 ! #SUP  5.35
!assign  ((resid   38 and name HN   )) ((resid   38 and name HG1  ))   4.54  2.74  0.00 ! #SUP  6.88
assign  ((resid   38 and name HN   )) ((resid   39 and name HD1  ))   5.22  3.42  0.00 ! #SUP  5.65
assign  ((resid   38 and name HN   )) ((resid   39 and name HD2  ))   4.94  3.14  0.00 ! #SUP  5.65
assign (resid 38 and name HE# ) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.46
assign (resid 38 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.45
assign (resid 38 and name HE# ) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.43
assign (resid 38 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.44
assign  ((resid   39 and name HA   )) ((resid   40 and name HN   ))   2.86  1.06  0.00 ! #SUP  4.79
assign  ((resid   39 and name HB1  )) ((resid   40 and name HN   ))   4.05  2.25  0.00 ! #SUP  5.06
assign  ((resid   39 and name HB2  )) ((resid   40 and name HN   ))   3.89  2.09  0.00 ! #SUP  5.14
!assign  ((resid   40 and name HA   )) ((resid   40 and name HG2  ))   3.96  2.16  0.00 ! #SUP  5.61
assign  ((resid   40 and name HA   )) ((resid   41 and name HA1  ))   5.11  3.31  0.00 ! #SUP  4.31
assign  ((resid   40 and name HA   )) ((resid   41 and name HA2  ))   4.83  3.03  0.00 ! #SUP  5.56
assign  ((resid   40 and name HA   )) ((resid   41 and name HN   ))   3.64  1.84  0.00 ! #SUP  8.00
!assign  ((resid   40 and name HA   )) ((resid   42 and name HN   ))   4.63  2.83  0.00 ! #SUP  3.20
assign  ((resid   40 and name HB1  )) ((resid   41 and name HN   ))   4.82  3.02  0.00 ! #SUP  5.62
assign  ((resid   40 and name HB2  )) ((resid   41 and name HN   ))   4.53  2.73  0.00 ! #SUP  5.62
assign  ((resid   40 and name HG1  )) ((resid   41 and name HA2  ))   5.45  3.65  0.00 ! #SUP  3.66
assign  ((resid   40 and name HG1  )) ((resid   41 and name HN   ))   4.98  3.18  0.00 ! #SUP  5.72
assign  ((resid   40 and name HG1  )) ((resid   55 and name HA   ))   4.31  2.51  0.00 ! #SUP  2.53
assign  ((resid   40 and name HG1  )) ((resid   56 and name HN   ))   5.31  3.51  0.00 ! #SUP  3.33
assign  ((resid   40 and name HG2  )) ((resid   41 and name HN   ))   4.92  3.12  0.00 ! #SUP  5.59
assign  ((resid   40 and name HG2  )) ((resid   55 and name HA   ))   3.95  2.15  0.00 ! #SUP  3.73
assign  ((resid   40 and name HG2  )) ((resid   55 and name HD2  ))   5.08  3.28  0.00 ! #SUP  1.65
assign  ((resid   40 and name HG2  )) ((resid   56 and name HN   ))   4.81  3.01  0.00 ! #SUP  4.50
assign  ((resid   40 and name HN   )) ((resid   40 and name HB1  ))   3.49  1.69  0.00 ! #SUP  5.69
assign  ((resid   40 and name HN   )) ((resid   40 and name HB2  ))   3.30  1.50  0.00 ! #SUP  5.68
!assign  ((resid   40 and name HN   )) ((resid   40 and name HG2  ))   4.69  2.89  0.00 ! #SUP  5.82
assign  ((resid   40 and name HN   )) ((resid   41 and name HN   ))   4.67  2.87  0.00 ! #SUP  4.96
assign  ((resid   41 and name HA1  )) ((resid   53 and name HD1* ))   4.42  2.62  0.00 ! #SUP  3.84
assign  ((resid   41 and name HA1  )) ((resid   53 and name HG11 ))   5.05  3.25  0.00 ! #SUP  4.12
assign  ((resid   41 and name HA2  )) ((resid   42 and name HG2  ))   5.50  3.70  0.00 ! #SUP  3.90
assign  ((resid   41 and name HA2  )) ((resid   53 and name HD1* ))   4.45  2.65  0.00 ! #SUP  4.95
assign  ((resid   41 and name HA2  )) ((resid   53 and name HG11 ))   5.37  3.57  0.00 ! #SUP  5.82
assign  ((resid   41 and name HA2  )) ((resid   53 and name HG12 ))   5.46  3.66  0.00 ! #SUP  4.00
assign  ((resid   41 and name HN   )) ((resid   42 and name HN   ))   4.17  2.37  0.00 ! #SUP  4.68
assign  ((resid   41 and name HN   )) ((resid   53 and name HD1* ))   5.20  3.40  0.00 ! #SUP  5.90
assign  ((resid   41 and name HN   )) ((resid   53 and name HG11 ))   5.50  3.70  0.00 ! #SUP  6.26
assign  ((resid   41 and name HN   )) ((resid   53 and name HG12 ))   5.50  3.70  0.00 ! #SUP  4.93
!assign  ((resid   41 and name HN   )) ((resid   54 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.93 diagonal
!assign  ((resid   42 and name HA   )) ((resid   42 and name HD*  ))   4.24  2.44  0.00 ! #SUP  6.50
!assign  ((resid   42 and name HA   )) ((resid   42 and name HE*  ))   4.38  2.58  0.00 ! #SUP  6.65
!assign  ((resid   42 and name HA   )) ((resid   42 and name HG1  ))   4.04  2.24  0.00 ! #SUP  7.22
!assign  ((resid   42 and name HA   )) ((resid   42 and name HG2  ))   3.87  2.07  0.00 ! #SUP  8.30
assign  ((resid   42 and name HA   )) ((resid   43 and name HG1* ))   4.35  2.55  0.00 ! #SUP  5.18
assign  ((resid   42 and name HA   )) ((resid   43 and name HN   ))   3.29  1.49  0.00 ! #SUP  7.68
assign  ((resid   42 and name HE*  )) ((resid   43 and name HN   ))   5.19  3.39  0.00 ! #SUP  5.28
assign  ((resid   42 and name HG1  )) ((resid   42 and name HE*  ))   4.00  2.20  0.00 ! #SUP  5.09
!assign  ((resid   42 and name HG2  )) ((resid   42 and name HE*  ))   3.71  1.91  0.00 ! #SUP  5.99
assign  ((resid   42 and name HG2  )) ((resid   43 and name HN   ))   5.20  3.40  0.00 ! #SUP  6.47
assign  ((resid   42 and name HN   )) ((resid   42 and name HG1  ))   5.50  3.70  0.00 ! #SUP  5.84
!assign  ((resid   42 and name HN   )) ((resid   42 and name HG2  ))   5.06  3.26  0.00 ! #SUP  7.39
assign  ((resid   42 and name HN   )) ((resid   43 and name HN   ))   5.14  3.34  0.00 ! #SUP  5.12
assign  ((resid   42 and name HN   )) ((resid   53 and name HA   ))   5.35  3.55  0.00 ! #SUP  3.84
assign  ((resid   42 and name HN   )) ((resid   53 and name HD1* ))   4.88  3.08  0.00 ! #SUP  7.66
assign  ((resid   42 and name HN   )) ((resid   53 and name HG11 ))   5.13  3.33  0.00 ! #SUP  8.19
assign  ((resid   42 and name HN   )) ((resid   53 and name HG12 ))   4.82  3.02  0.00 ! #SUP  6.53
assign  ((resid   42 and name HN   )) ((resid   54 and name HN   ))   5.36  3.56  0.00 ! #SUP  4.84
!assign  ((resid   43 and name HA   )) ((resid   43 and name HG2* ))   3.74  1.94  0.00 ! #SUP  4.70
assign  ((resid   43 and name HA   )) ((resid   44 and name HN   ))   3.59  1.79  0.00 ! #SUP  4.22
assign  ((resid   43 and name HA   )) ((resid   52 and name HN   ))   5.27  3.47  0.00 ! #SUP  3.87
assign  ((resid   43 and name HA   )) ((resid   53 and name HA   ))   3.61  1.81  0.00 ! #SUP  4.52
assign  ((resid   43 and name HA   )) ((resid   53 and name HB   ))   4.12  2.32  0.00 ! #SUP  4.58
assign  ((resid   43 and name HA   )) ((resid   53 and name HG11 ))   5.38  3.58  0.00 ! #SUP  2.78
assign  ((resid   43 and name HG1* )) ((resid   44 and name HN   ))   4.70  2.90  0.00 ! #SUP  4.69
assign  ((resid   43 and name HG2* )) ((resid   44 and name HB2  ))   5.39  3.59  0.00 ! #SUP  4.52
assign  ((resid   43 and name HG2* )) ((resid   44 and name HN   ))   4.34  2.54  0.00 ! #SUP  6.78
assign  ((resid   43 and name HG2* )) ((resid   45 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.65
assign  ((resid   43 and name HG2* )) ((resid   51 and name HA   ))   5.37  3.57  0.00 ! #SUP  3.86
assign  ((resid   43 and name HG2* )) ((resid   51 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.13
assign  ((resid   43 and name HG2* )) ((resid   52 and name HN   ))   5.24  3.44  0.00 ! #SUP  6.18
assign  ((resid   43 and name HN   )) ((resid   43 and name HB   ))   3.48  1.68  0.00 ! #SUP  4.98
!assign  ((resid   43 and name HN   )) ((resid   43 and name HG1* ))   3.91  2.11  0.00 ! #SUP  6.47
assign  ((resid   43 and name HN   )) ((resid   53 and name HA   ))   5.50  3.70  0.00 ! added manually
!assign  ((resid   43 and name HN   )) ((resid   53 and name HB   ))   5.50  3.70  0.00 ! #SUP  4.70
assign  ((resid   44 and name HA   )) ((resid   45 and name HN   ))   3.13  1.33  0.00 ! #SUP  4.86
assign  ((resid   44 and name HA   )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.50
assign  ((resid   44 and name HB1  )) ((resid   45 and name HN   ))   4.30  2.50  0.00 ! #SUP  6.15
assign  ((resid   44 and name HB1  )) ((resid   52 and name HD1* ))   5.06  3.26  0.00 ! #SUP  2.14
assign  ((resid   44 and name HG*  )) ((resid   45 and name HN   ))   4.29  2.49  0.00 ! #SUP  5.19
assign  ((resid   44 and name HG*  )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.50
assign  ((resid   44 and name HN   )) ((resid   44 and name HB2  ))   4.08  2.28  0.00 ! #SUP  5.33
!assign  ((resid   44 and name HN   )) ((resid   44 and name HG*  ))   4.26  2.46  0.00 ! #SUP  5.67
assign  ((resid   44 and name HN   )) ((resid   45 and name HN   ))   5.43  3.63  0.00 ! #SUP  5.48
assign  ((resid   44 and name HN   )) ((resid   51 and name HA   ))   5.50  3.70  0.00 ! #SUP  4.57
assign  ((resid   44 and name HN   )) ((resid   52 and name HD1* ))   5.50  3.70  0.00 ! #SUP  4.88
assign  ((resid   44 and name HN   )) ((resid   52 and name HG12 ))   5.14  3.34  0.00 ! #SUP  6.62
assign  ((resid   44 and name HN   )) ((resid   52 and name HN   ))   4.71  2.91  0.00 ! #SUP 10.00
assign  ((resid   44 and name HN   )) ((resid   53 and name HA   ))   4.89  3.09  0.00 ! #SUP  5.22
assign (resid 44 and name HE# ) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.60
assign (resid 44 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.59
assign (resid 44 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.57
assign (resid 44 and name HE# ) (resid 59 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.61
assign  ((resid   45 and name HA   )) ((resid   46 and name HN   ))   3.35  1.55  0.00 ! #SUP  5.25
assign  ((resid   45 and name HA   )) ((resid   51 and name HN   ))   5.32  3.52  0.00 ! #SUP  2.48
assign  ((resid   45 and name HA   )) ((resid   52 and name HN   ))   4.72  2.92  0.00 ! #SUP  3.77
assign  ((resid   45 and name HB1  )) ((resid   46 and name HN   ))   4.54  2.74  0.00 ! #SUP  5.27
assign  ((resid   45 and name HB2  )) ((resid   46 and name HN   ))   4.47  2.67  0.00 ! #SUP  5.25
assign  ((resid   45 and name HG1  )) ((resid   46 and name HN   ))   5.09  3.29  0.00 ! #SUP  5.27
assign  ((resid   45 and name HG2  )) ((resid   46 and name HN   ))   4.83  3.03  0.00 ! #SUP  4.68
assign  ((resid   45 and name HG2  )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  1.22
assign  ((resid   45 and name HG2  )) ((resid   51 and name HE*  ))   4.28  2.48  0.00 ! #SUP  0.75
assign  ((resid   45 and name HG2  )) ((resid   51 and name HG1  ))   4.85  3.05  0.00 ! #SUP  2.00
assign  ((resid   45 and name HN   )) ((resid   45 and name HB1  ))   3.38  1.58  0.00 ! #SUP  5.63
assign  ((resid   45 and name HN   )) ((resid   45 and name HB2  ))   3.84  2.04  0.00 ! #SUP  5.49
!assign  ((resid   45 and name HN   )) ((resid   45 and name HG1  ))   4.18  2.38  0.00 ! #SUP  5.49
assign  ((resid   45 and name HN   )) ((resid   51 and name HA   ))   5.47  3.67  0.00 ! #SUP  3.62
!assign  ((resid   46 and name HA   )) ((resid   46 and name HB   ))   2.40  0.60  0.00 ! #SUP  2.21
!assign  ((resid   46 and name HA   )) ((resid   46 and name HG2* ))   4.06  2.26  0.00 ! #SUP  3.31
assign  ((resid   46 and name HA   )) ((resid   47 and name HG*  ))   4.26  2.46  0.00 ! #SUP  4.29
assign  ((resid   46 and name HA   )) ((resid   48 and name HN   ))   4.59  2.79  0.00 ! #SUP  4.70
assign  ((resid   46 and name HB   )) ((resid   47 and name HN   ))   3.78  1.98  0.00 ! #SUP  4.51
assign  ((resid   46 and name HB   )) ((resid   48 and name HN   ))   3.88  2.08  0.00 ! #SUP  5.14
assign  ((resid   46 and name HB   )) ((resid   49 and name HN   ))   4.98  3.18  0.00 ! #SUP  4.41
assign  ((resid   46 and name HG2* )) ((resid   47 and name HN   ))   4.59  2.79  0.00 ! #SUP  4.85
assign  ((resid   46 and name HG2* )) ((resid   48 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.14
assign  ((resid   46 and name HG2* )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.41
assign  ((resid   46 and name HG2* )) ((resid   51 and name HA   ))   4.68  2.88  0.00 ! #SUP  3.61
!assign  ((resid   46 and name HG2* )) ((resid   52 and name HD1* ))   4.35  2.55  0.00 ! #SUP  1.37
!assign  ((resid   46 and name HN   )) ((resid   46 and name HG2* ))   3.96  2.16  0.00 ! #SUP  3.40
!assign  ((resid   46 and name HN   )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.94
assign  ((resid   46 and name HN   )) ((resid   50 and name HN   ))   4.48  2.68  0.00 ! #SUP  4.98
assign  ((resid   46 and name HN   )) ((resid   51 and name HA   ))   4.22  2.42  0.00 ! #SUP  4.63
assign  ((resid   46 and name HN   )) ((resid   51 and name HG1  ))   5.50  3.70  0.00 ! #SUP  3.13
assign (resid 46 and name HG2#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.99
assign (resid 46 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.97
assign (resid 46 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.98
!assign  ((resid   47 and name HA   )) ((resid   47 and name HD*  ))   4.06  2.26  0.00 ! #SUP  4.47
!assign  ((resid   47 and name HA   )) ((resid   47 and name HG*  ))   3.38  1.58  0.00 ! #SUP  5.47
!assign  ((resid   47 and name HB1  )) ((resid   47 and name HD*  ))   3.49  1.69  0.00 ! #SUP  4.43
!assign  ((resid   47 and name HB1  )) ((resid   47 and name HG*  ))   2.73  0.93  0.00 ! #SUP  5.43
assign  ((resid   47 and name HB1  )) ((resid   48 and name HN   ))   4.10  2.30  0.00 ! #SUP  6.39
!assign  ((resid   47 and name HB2  )) ((resid   47 and name HD*  ))   3.80  2.00  0.00 ! #SUP  5.06
assign  ((resid   47 and name HB2  )) ((resid   47 and name HG*  ))   2.88  1.08  0.00 ! #SUP  6.08
assign  ((resid   47 and name HB2  )) ((resid   48 and name HB2  ))   4.47  2.67  0.00 ! #SUP  4.30
assign  ((resid   47 and name HB2  )) ((resid   48 and name HN   ))   4.32  2.52  0.00 ! #SUP  7.70
assign  ((resid   47 and name HG*  )) ((resid   48 and name HN   ))   4.60  2.80  0.00 ! #SUP  6.89
assign  ((resid   47 and name HN   )) ((resid   47 and name HB1  ))   3.97  2.17  0.00 ! #SUP  6.35
assign  ((resid   47 and name HN   )) ((resid   47 and name HB2  ))   3.91  2.11  0.00 ! #SUP  7.25
!assign  ((resid   47 and name HN   )) ((resid   47 and name HD*  ))   5.29  3.49  0.00 ! #SUP  5.64
!assign  ((resid   47 and name HN   )) ((resid   47 and name HG*  ))   4.19  2.39  0.00 ! #SUP  6.92
assign  ((resid   47 and name HN   )) ((resid   48 and name HN   ))   4.03  2.23  0.00 ! #SUP  9.85
!assign  ((resid   47 and name HN   )) ((resid   49 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.74 peak ?
!assign  ((resid   47 and name HN   )) ((resid   50 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.95 peak ?
assign  ((resid   48 and name HA   )) ((resid   50 and name HN   ))   5.20  3.40  0.00 ! #SUP  3.33
assign  ((resid   48 and name HB1  )) ((resid   49 and name HN   ))   5.18  3.38  0.00 ! #SUP  4.28
assign  ((resid   48 and name HB2  )) ((resid   49 and name HN   ))   5.22  3.42  0.00 ! #SUP  4.27
assign  ((resid   48 and name HN   )) ((resid   48 and name HB2  ))   4.04  2.24  0.00 ! #SUP  5.90
assign  ((resid   48 and name HN   )) ((resid   49 and name HA2  ))   5.14  3.34  0.00 ! #SUP  3.82
assign  ((resid   48 and name HN   )) ((resid   49 and name HN   ))   3.79  1.99  0.00 ! #SUP  7.78
assign  ((resid   48 and name HN   )) ((resid   50 and name HN   ))   4.52  2.72  0.00 ! #SUP  4.76
assign  ((resid   49 and name HN   )) ((resid   50 and name HA   ))   5.00  3.20  0.00 ! #SUP  3.14
assign  ((resid   49 and name HN   )) ((resid   50 and name HG2* ))   5.48  3.68  0.00 ! #SUP  3.14
!assign  ((resid   49 and name HN   )) ((resid   50 and name HN   ))   3.66  1.86  0.00 ! #SUP  6.29 diagonal
!assign  ((resid   50 and name HA   )) ((resid   50 and name HG2* ))   3.66  1.86  0.00 ! #SUP  4.00
assign  ((resid   50 and name HB   )) ((resid   51 and name HN   ))   4.47  2.67  0.00 ! #SUP  5.88
assign  ((resid   50 and name HG2* )) ((resid   51 and name HN   ))   4.12  2.32  0.00 ! #SUP  5.88
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HD1  ))   4.61  2.81  0.00 ! #SUP  1.50
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HD2  ))   4.67  2.87  0.00 ! #SUP  1.50
!assign  ((resid   50 and name HG2* )) ((resid   61 and name HG2  ))   5.50  3.70  0.00 ! #SUP  1.50
assign  ((resid   50 and name HN   )) ((resid   50 and name HB   ))   3.84  2.04  0.00 ! #SUP  4.15
!assign  ((resid   50 and name HN   )) ((resid   50 and name HG2* ))   3.94  2.14  0.00 ! #SUP  4.62
assign  ((resid   50 and name HN   )) ((resid   51 and name HN   ))   5.13  3.33  0.00 ! #SUP  4.80
assign (resid 50 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.70
assign  ((resid   51 and name HG1  )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.54
assign  ((resid   51 and name HG2  )) ((resid   52 and name HN   ))   5.46  3.66  0.00 ! #SUP  6.54
assign  ((resid   51 and name HN   )) ((resid   51 and name HB1  ))   3.89  2.09  0.00 ! #SUP  6.61
!assign  ((resid   51 and name HN   )) ((resid   51 and name HE*  ))   5.50  3.70  0.00 ! #SUP  4.96
!assign  ((resid   51 and name HN   )) ((resid   51 and name HG1  ))   4.94  3.14  0.00 ! #SUP  7.43
!assign  ((resid   51 and name HN   )) ((resid   51 and name HG2  ))   4.82  3.02  0.00 ! #SUP  7.43
assign  ((resid   51 and name HN   )) ((resid   52 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.68
!assign  ((resid   52 and name HA   )) ((resid   52 and name HD1* ))   4.87  3.07  0.00 ! #SUP  6.53
assign  ((resid   52 and name HA   )) ((resid   53 and name HG2* ))   5.08  3.28  0.00 ! #SUP  4.05
assign  ((resid   52 and name HA   )) ((resid   60 and name HE#  ))   4.44  2.64  0.00 ! #SUP  3.00
assign  ((resid   52 and name HA   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.00
assign  ((resid   52 and name HA   )) ((resid   61 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.06
assign  ((resid   52 and name HA   )) ((resid   62 and name HN   ))   5.00  3.20  0.00 ! by hand
!assign  ((resid   52 and name HB   )) ((resid   52 and name HD1* ))   4.06  2.26  0.00 ! #SUP  5.98
assign  ((resid   52 and name HB   )) ((resid   53 and name HN   ))   3.82  2.02  0.00 ! #SUP  6.11
assign  ((resid   52 and name HB   )) ((resid   59 and name HG12 ))   5.24  3.44  0.00 ! #SUP  1.81
assign  ((resid   52 and name HB   )) ((resid   59 and name HG2* ))   3.96  2.16  0.00 ! #SUP  1.76
!assign  ((resid   52 and name HB   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.36
assign  ((resid   52 and name HD1* )) ((resid   53 and name HN   ))   5.32  3.52  0.00 ! #SUP  6.03
assign  ((resid   52 and name HG12 )) ((resid   53 and name HN   ))   5.12  3.32  0.00 ! #SUP  6.24
!assign  ((resid   52 and name HN   )) ((resid   52 and name HD1* ))   5.13  3.33  0.00 ! #SUP  7.04
assign  ((resid   52 and name HN   )) ((resid   60 and name HE#  ))   5.50  3.70  0.00 ! #SUP  3.17
assign  ((resid   52 and name HN   )) ((resid   60 and name HZ   ))   5.50  3.70  0.00 ! #SUP  0.75
assign (resid 52 and name HD1#) (resid 12 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.15
assign (resid 52 and name HD1#) (resid 12 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.13
assign (resid 52 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.11
assign (resid 52 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.10
assign (resid 52 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.9
assign (resid 52 and name HD1#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.12
assign (resid 52 and name HD1#) (resid 52 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.14
assign (resid 52 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.7
assign (resid 52 and name HD1#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.6
assign (resid 52 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.32
assign (resid 52 and name HG2#) (resid 50 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.31
assign (resid 52 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.34
assign (resid 52 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.30
!assign  ((resid   53 and name HA   )) ((resid   53 and name HG12 ))   3.85  2.05  0.00 ! #SUP  4.99
assign  ((resid   53 and name HA   )) ((resid   60 and name HE#  ))   5.34  3.54  0.00 ! #SUP  0.84
assign  ((resid   53 and name HB   )) ((resid   54 and name HN   ))   4.86  3.06  0.00 ! #SUP  5.67
assign  ((resid   53 and name HD1* )) ((resid   55 and name HB1  ))   4.62  2.82  0.00 ! #SUP  4.67
assign  ((resid   53 and name HD1* )) ((resid   55 and name HB2  ))   4.58  2.78  0.00 ! #SUP  4.68
assign  ((resid   53 and name HD1* )) ((resid   55 and name HD1  ))   5.17  3.37  0.00 ! #SUP  5.23
assign  ((resid   53 and name HD1* )) ((resid   55 and name HD2  ))   5.50  3.70  0.00 ! #SUP  4.17
assign  ((resid   53 and name HD1* )) ((resid   55 and name HG*  ))   4.38  2.58  0.00 ! #SUP  4.68
assign  ((resid   53 and name HD1* )) ((resid   56 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.30
assign  ((resid   53 and name HG11 )) ((resid   54 and name HN   ))   4.82  3.02  0.00 ! #SUP  5.64
assign  ((resid   53 and name HG12 )) ((resid   54 and name HN   ))   4.74  2.94  0.00 ! #SUP  5.77
assign  ((resid   53 and name HG2* )) ((resid   60 and name HB1  ))   4.26  2.46  0.00 ! #SUP  4.22
assign  ((resid   53 and name HG2* )) ((resid   60 and name HB2  ))   3.97  2.17  0.00 ! #SUP  3.99
assign  ((resid   53 and name HG2* )) ((resid   61 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.25
!assign  ((resid   53 and name HN   )) ((resid   53 and name HG2* ))   4.20  2.40  0.00 ! #SUP  4.92
assign  ((resid   53 and name HN   )) ((resid   59 and name HA   ))   5.50  3.70  0.00 ! #SUP  3.74
assign  ((resid   53 and name HN   )) ((resid   60 and name HB1  ))   5.18  3.38  0.00 ! #SUP  4.28
assign  ((resid   53 and name HN   )) ((resid   60 and name HB2  ))   5.04  3.24  0.00 ! #SUP  4.73
assign  ((resid   53 and name HN   )) ((resid   60 and name HD#  ))   4.70  2.90  0.00 ! #SUP  3.18
assign  ((resid   53 and name HN   )) ((resid   60 and name HN   ))   4.82  3.02  0.00 ! #SUP  6.61
assign (resid 53 and name HD1#) (resid 43 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.18
assign (resid 53 and name HD1#) (resid 53 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.19
assign (resid 53 and name HD1#) (resid 53 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.17
assign (resid 53 and name HG2#) (resid 43 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.24
assign (resid 53 and name HG2#) (resid 43 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.23
assign (resid 53 and name HG2#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.21
assign (resid 53 and name HG2#) (resid 53 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.26
assign (resid 53 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.22
assign (resid 53 and name HG2#) (resid 62 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.25
assign  ((resid   54 and name HA   )) ((resid   55 and name HN   ))   3.61  1.81  0.00 ! #SUP  4.60
assign  ((resid   54 and name HA   )) ((resid   58 and name HB*  ))   4.66  2.86  0.00 ! #SUP  1.93
assign  ((resid   54 and name HA   )) ((resid   58 and name HN   ))   5.00  3.20  0.00 ! #SUP  4.37
assign  ((resid   54 and name HA   )) ((resid   59 and name HA   ))   3.93  2.13  0.00 ! #SUP  4.87
assign  ((resid   54 and name HA   )) ((resid   59 and name HD1* ))   4.42  2.62  0.00 ! #SUP  7.40
assign  ((resid   54 and name HB2  )) ((resid   55 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.85
assign  ((resid   54 and name HB2  )) ((resid   59 and name HD1* ))   4.98  3.18  0.00 ! #SUP  3.00
assign  ((resid   54 and name HG2  )) ((resid   57 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.98
assign  ((resid   54 and name HG2  )) ((resid   58 and name HN   ))   5.13  3.33  0.00 ! #SUP  5.40
assign  ((resid   54 and name HG2  )) ((resid   59 and name HA   ))   4.47  2.67  0.00 ! #SUP  3.04
assign  ((resid   54 and name HG2  )) ((resid   59 and name HD1* ))   4.94  3.14  0.00 ! #SUP  5.02
assign  ((resid   54 and name HN   )) ((resid   54 and name HG1  ))   5.47  3.67  0.00 ! #SUP  4.46
!assign  ((resid   55 and name HA   )) ((resid   55 and name HD1  ))   4.46  2.66  0.00 ! #SUP  6.78
!assign  ((resid   55 and name HA   )) ((resid   55 and name HD2  ))   4.20  2.40  0.00 ! #SUP  6.78
!assign  ((resid   55 and name HA   )) ((resid   55 and name HE*  ))   4.61  2.81  0.00 ! #SUP  6.89
!assign  ((resid   55 and name HA   )) ((resid   55 and name HG*  ))   3.93  2.13  0.00 ! #SUP  8.31
assign  ((resid   55 and name HA   )) ((resid   56 and name HA1  ))   5.34  3.54  0.00 ! #SUP  5.50
assign  ((resid   55 and name HA   )) ((resid   56 and name HA2  ))   4.76  2.96  0.00 ! #SUP  5.02
!assign  ((resid   55 and name HB1  )) ((resid   55 and name HE*  ))   4.94  3.14  0.00 ! #SUP  6.22
assign  ((resid   55 and name HB1  )) ((resid   56 and name HN   ))   4.98  3.18  0.00 ! #SUP  7.42
!assign  ((resid   55 and name HB2  )) ((resid   55 and name HE*  ))   4.99  3.19  0.00 ! #SUP  6.21
assign  ((resid   55 and name HB2  )) ((resid   56 and name HN   ))   5.45  3.65  0.00 ! #SUP  7.42
assign  ((resid   55 and name HD1  )) ((resid   56 and name HN   ))   5.34  3.54  0.00 ! #SUP  6.86
assign  ((resid   55 and name HD2  )) ((resid   56 and name HN   ))   5.01  3.21  0.00 ! #SUP  6.81
!assign  ((resid   55 and name HG*  )) ((resid   55 and name HD1  ))   2.97  1.17  0.00 ! #SUP  6.50
!assign  ((resid   55 and name HG*  )) ((resid   55 and name HE*  ))   3.60  1.80  0.00 ! #SUP  6.58
assign  ((resid   55 and name HG*  )) ((resid   56 and name HA1  ))   5.50  3.70  0.00 ! #SUP  4.33
assign  ((resid   55 and name HG*  )) ((resid   56 and name HN   ))   4.49  2.69  0.00 ! #SUP  8.53
!assign  ((resid   55 and name HN   )) ((resid   55 and name HG*  ))   5.22  3.42  0.00 ! #SUP  6.46
assign  ((resid   55 and name HN   )) ((resid   56 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.86
assign  ((resid   55 and name HN   )) ((resid   57 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.94
assign  ((resid   55 and name HN   )) ((resid   58 and name HN   ))   4.33  2.53  0.00 ! #SUP  5.47
assign  ((resid   55 and name HN   )) ((resid   59 and name HD1* ))   5.50  3.70  0.00 ! #SUP  3.40
assign  ((resid   56 and name HA2  )) ((resid   58 and name HN   ))   4.86  3.06  0.00 ! #SUP  3.53
assign  ((resid   56 and name HN   )) ((resid   57 and name HN   ))   4.51  2.71  0.00 ! #SUP  5.15
assign  ((resid   56 and name HN   )) ((resid   58 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.28
assign  ((resid   57 and name HB1  )) ((resid   58 and name HN   ))   4.88  3.08  0.00 ! #SUP  5.84
!assign  ((resid   57 and name HB2  )) ((resid   57 and name HD2* ))   4.04  2.24  0.00 ! #SUP  3.44
assign  ((resid   57 and name HB2  )) ((resid   58 and name HN   ))   4.76  2.96  0.00 ! #SUP  5.84
assign  ((resid   57 and name HD2* )) ((resid   58 and name HN   ))   4.06  2.26  0.00 ! #SUP  5.11
!assign  ((resid   57 and name HN   )) ((resid   57 and name HD2* ))   5.50  3.70  0.00 ! #SUP  4.97
assign  ((resid   57 and name HN   )) ((resid   58 and name HB*  ))   5.35  3.55  0.00 ! #SUP  4.33
assign  ((resid   57 and name HN   )) ((resid   58 and name HG2  ))   5.50  3.70  0.00 ! #SUP  4.89
assign  ((resid   57 and name HN   )) ((resid   58 and name HN   ))   3.88  2.08  0.00 ! #SUP  8.91
!assign  ((resid   58 and name HA   )) ((resid   58 and name HG1  ))   3.46  1.66  0.00 ! #SUP  4.38
!assign  ((resid   58 and name HA   )) ((resid   58 and name HG2  ))   3.79  1.99  0.00 ! #SUP  5.07
assign  ((resid   58 and name HA   )) ((resid   59 and name HG2* ))   5.12  3.32  0.00 ! #SUP  4.03
assign  ((resid   58 and name HA   )) ((resid   59 and name HN   ))   3.56  1.76  0.00 ! #SUP  5.75
assign  ((resid   58 and name HB*  )) ((resid   59 and name HN   ))   4.49  2.69  0.00 ! #SUP  5.03
assign  ((resid   58 and name HG2  )) ((resid   59 and name HN   ))   5.34  3.54  0.00 ! #SUP  4.91
assign  ((resid   58 and name HN   )) ((resid   58 and name HB*  ))   3.80  2.00  0.00 ! #SUP  6.18
!assign  ((resid   58 and name HN   )) ((resid   58 and name HG2  ))   4.45  2.65  0.00 ! #SUP  6.27
assign  ((resid   58 and name HN   )) ((resid   59 and name HN   ))   5.46  3.66  0.00 ! #SUP  4.55
!assign  ((resid   59 and name HA   )) ((resid   59 and name HD1* ))   3.84  2.04  0.00 ! #SUP  3.82
!assign  ((resid   59 and name HA   )) ((resid   59 and name HG12 ))   4.19  2.39  0.00 ! #SUP  5.98
!assign  ((resid   59 and name HB   )) ((resid   59 and name HD1* ))   4.05  2.25  0.00 ! #SUP  4.37
assign  ((resid   59 and name HB   )) ((resid   60 and name HN   ))   5.21  3.41  0.00 ! #SUP  5.45
assign  ((resid   59 and name HG12 )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.46
assign  ((resid   59 and name HN   )) ((resid   59 and name HB   ))   3.91  2.11  0.00 ! #SUP  6.56
!assign  ((resid   59 and name HN   )) ((resid   59 and name HG12 ))   4.85  3.05  0.00 ! #SUP  6.59
!assign  ((resid   59 and name HN   )) ((resid   59 and name HG2* ))   5.39  3.59  0.00 ! #SUP  6.88
assign  ((resid   59 and name HN   )) ((resid   60 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.49
assign (resid 59 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 !   mhnoesy_final2.4
assign (resid 59 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 !   mhnoesy_final2.2
assign (resid 59 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.0
assign (resid 59 and name HD1#) (resid 59 and name HG1#) 4.500 2.7 0.0 !   mhnoesy_final2.5
assign (resid 59 and name HG2#) (resid 52 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.36
assign (resid 59 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.35
assign (resid 59 and name HG2#) (resid 59 and name HG1#) 5.500 3.7 0.0 !   mhnoesy_final2.38
!assign (resid 60 and name HE#) (resid 60 and name HB1) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.111
!assign (resid 60 and name HE#) (resid 60 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.23
!assign (resid 60 and name HD#) (resid 60 and name HA) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.116
!assign (resid 60 and name HD#) (resid 60 and name HB1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.123
!assign (resid 60 and name HD#) (resid 60 and name HB2) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.124
!assign (resid 60 and name HD#) (resid 60 and name HN) 3.400 1.6 0.0 !   2dnoesy_aromHN.28
!assign (resid 60 and name HZ ) (resid 60 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.75
!assign (resid 60 and name HZ ) (resid 60 and name HE#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.25
!assign (resid 60 and name HZ ) (resid 60 and name HD#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.26
!assign (resid 60 and name HE2) (resid 60 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.31
!assign (resid 60 and name HE2) (resid 60 and name HD#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.32
assign  ((resid   60 and name HA   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.14
assign  ((resid   60 and name HA   )) ((resid   63 and name HB1  ))   5.37  3.57  0.00 ! #SUP  2.31
!assign  ((resid   60 and name HA   )) ((resid   63 and name HN   ))   4.89  3.09  0.00 ! #SUP  4.28 ???
assign  ((resid   60 and name HB1  )) ((resid   61 and name HN   ))   4.57  2.77  0.00 ! #SUP  3.96
assign  ((resid   60 and name HB1  )) ((resid   63 and name HB2  ))   3.80  2.00  0.00 ! #SUP  0.53
!assign  ((resid   60 and name HD#  )) ((resid   61 and name HN   ))   4.77  2.97  0.00 ! #SUP  4.71
assign  ((resid   60 and name HD#  )) ((resid   62 and name HN   ))   4.71  2.91  0.00 ! #SUP  5.41
assign  ((resid   60 and name HD#  )) ((resid   63 and name HN   ))   5.43  3.63  0.00 ! #SUP  3.22
assign  ((resid   60 and name HZ   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.26
assign (resid 60 and name HE#) (resid 43 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.96
assign (resid 60 and name HE#) (resid 51 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.74
assign (resid 60 and name HE#) (resid 52 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.73
assign (resid 60 and name HE#) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.104
assign (resid 60 and name HE#) (resid 53 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.106
!assign (resid 60 and name HE#) (resid 60 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.76
assign (resid 60 and name HE#) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.81
assign (resid 60 and name HE#) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.102
assign (resid 60 and name HD#) (resid 43 and name HG1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.134
assign (resid 60 and name HD#) (resid 43 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.132
assign (resid 60 and name HD#) (resid 52 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.112
assign (resid 60 and name HD#) (resid 52 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.139
assign (resid 60 and name HD#) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.140
assign (resid 60 and name HD#) (resid 53 and name HG2#) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.141
assign (resid 60 and name HD#) (resid 53 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.25
assign (resid 60 and name HD#) (resid 54 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.115
assign (resid 60 and name HD#) (resid 59 and name HA) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.117
assign (resid 60 and name HD#) (resid 61 and name HN) 5.000 3.2 0.0 !   2dnoesy_aromHN.29
assign (resid 60 and name HD#) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.122
assign (resid 60 and name HD#) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.135
assign (resid 60 and name HZ ) (resid 43 and name HG1#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.99
assign (resid 60 and name HZ ) (resid 43 and name HG2#) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.95
assign (resid 60 and name HZ ) (resid 51 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.72
assign (resid 60 and name HZ ) (resid 51 and name HE#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.82
assign (resid 60 and name HZ ) (resid 53 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.103
assign (resid 60 and name HZ ) (resid 53 and name HG2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.105
assign (resid 60 and name HZ ) (resid 61 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.71
assign (resid 60 and name HZ ) (resid 62 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.80
assign (resid 60 and name HZ ) (resid 62 and name HD1#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.100
assign (resid 60 and name HZ ) (resid 62 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.101
!assign  ((resid   61 and name HA   )) ((resid   62 and name HA   ))   5.45  3.65  0.00 ! #SUP  4.76
assign  ((resid   61 and name HB*  )) ((resid   62 and name HD2* ))   4.15  2.35  0.00 ! #SUP  4.49
assign  ((resid   61 and name HB*  )) ((resid   63 and name HN   ))   5.42  3.62  0.00 ! #SUP  4.21
assign  ((resid   61 and name HG2  )) ((resid   62 and name HN   ))   4.65  2.85  0.00 ! #SUP  6.35
!assign  ((resid   61 and name HN   )) ((resid   62 and name HA   ))   5.27  3.47  0.00 ! #SUP  7.12
assign  ((resid   61 and name HN   )) ((resid   62 and name HN   ))   5.50  3.70  0.00 ! #SUP  9.71
assign  ((resid   61 and name HN   )) ((resid   63 and name HB1  ))   5.32  3.52  0.00 ! #SUP  4.84
assign  ((resid   61 and name HN   )) ((resid   63 and name HN   ))   4.89  3.09  0.00 ! #SUP  8.25
assign  ((resid   61 and name HN   )) ((resid   64 and name HN   ))   5.50  3.70  0.00 ! #SUP  8.25
!assign (resid 62 and name HD2#) (resid 62 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.130
!assign (resid 62 and name HD2#) (resid 62 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.131
!assign (resid 62 and name HD2#) (resid 65 and name HB#) 7.000 5.2 0.0 !   mhnoesy_final2.128
!assign  ((resid   62 and name HA   )) ((resid   62 and name HD1* ))   4.47  2.67  0.00 ! #SUP  7.56
!assign  ((resid   62 and name HA   )) ((resid   62 and name HD2* ))   3.87  2.07  0.00 ! #SUP  7.39
!assign  ((resid   62 and name HA   )) ((resid   63 and name HB1  ))   4.84  3.04  0.00 ! #SUP  5.99
assign  ((resid   62 and name HA   )) ((resid   64 and name HN  ))   5.50  3.70  0.00 ! by hand
!assign  ((resid   62 and name HB1  )) ((resid   62 and name HD1* ))   4.25  2.45  0.00 ! #SUP  6.24
assign  ((resid   62 and name HB1  )) ((resid   63 and name HN   ))   5.32  3.52  0.00 ! #SUP  7.35
assign  ((resid   62 and name HB1  )) ((resid   66 and name HD1* ))   4.00  2.20  0.00 ! #SUP  1.21
!assign  ((resid   62 and name HB2  )) ((resid   62 and name HD1* ))   3.83  2.03  0.00 ! #SUP  6.69
!assign  ((resid   62 and name HB2  )) ((resid   62 and name HD2* ))   3.71  1.91  0.00 ! #SUP  6.72
assign  ((resid   62 and name HB2  )) ((resid   63 and name HN   ))   4.99  3.19  0.00 ! #SUP  8.04
assign  ((resid   62 and name HD1* )) ((resid   63 and name HB1  ))   4.87  3.07  0.00 ! #SUP  5.77
assign  ((resid   62 and name HD1* )) ((resid   63 and name HN   ))   5.16  3.36  0.00 ! #SUP  8.66
assign  ((resid   62 and name HD1* )) ((resid   64 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.64
assign  ((resid   62 and name HD2* )) ((resid   63 and name HN   ))   4.74  2.94  0.00 ! #SUP  8.01
assign  ((resid   62 and name HD1* )) ((resid   61 and name HN   ))   5.27  3.47  0.00 ! #SUP  6.66 changed assignment
assign  ((resid   62 and name HG   )) ((resid   63 and name HN   ))   5.11  3.31  0.00 ! #SUP  7.68
assign  ((resid   62 and name HG   )) ((resid   64 and name HN   ))   5.43  3.63  0.00 ! #SUP  4.09
assign  ((resid   62 and name HG   )) ((resid   65 and name HB1  ))   2.40  0.60  0.00 ! #SUP  1.50
assign  ((resid   62 and name HG   )) ((resid   65 and name HN   ))   5.18  3.38  0.00 ! #SUP  2.13
assign  ((resid   62 and name HN   )) ((resid   62 and name HB2  ))   4.07  2.27  0.00 ! #SUP  8.36
!assign  ((resid   62 and name HN   )) ((resid   62 and name HD2* ))   5.36  3.56  0.00 ! #SUP  8.08
!assign  ((resid   62 and name HN   )) ((resid   62 and name HG   ))   5.10  3.30  0.00 ! #SUP  7.49
assign  ((resid   62 and name HN   )) ((resid   63 and name HN   ))   5.26  3.46  0.00 ! #SUP  8.19
assign (resid 62 and name HD2#) (resid 43 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.129
assign  ((resid   63 and name HA   )) ((resid   64 and name HN   ))   3.29  1.49  0.00 ! #SUP  4.51
assign  ((resid   63 and name HA   )) ((resid   65 and name HN   ))   4.70  2.90  0.00 ! #SUP  2.60
assign  ((resid   63 and name HB1  )) ((resid   66 and name HD1* ))   5.30  3.50  0.00 ! #SUP  2.46
assign  ((resid   63 and name HB2  )) ((resid   64 and name HN   ))   4.75  2.95  0.00 ! #SUP  4.01
assign  ((resid   63 and name HN   )) ((resid   63 and name HB2  ))   4.13  2.33  0.00 ! #SUP  6.04
!assign  ((resid   63 and name HN   )) ((resid   66 and name HD1* ))   5.50  3.70  0.00 ! #SUP  2.94 not a methyl peak
!assign  ((resid   64 and name HA   )) ((resid   64 and name HG*  ))   3.35  1.55  0.00 ! #SUP  3.86
assign  ((resid   64 and name HA   )) ((resid   67 and name HB1  ))   3.93  2.13  0.00 ! #SUP  2.32
assign  ((resid   64 and name HA   )) ((resid   67 and name HD*  ))   4.03  2.23  0.00 ! #SUP  2.32
assign  ((resid   64 and name HA   )) ((resid   67 and name HG2  ))   4.09  2.29  0.00 ! #SUP  2.49
assign  ((resid   64 and name HB1  )) ((resid   65 and name HN   ))   4.24  2.44  0.00 ! #SUP  4.93
assign  ((resid   64 and name HB2  )) ((resid   65 and name HN   ))   4.26  2.46  0.00 ! #SUP  4.93
assign  ((resid   64 and name HG*  )) ((resid   65 and name HN   ))   4.44  2.64  0.00 ! #SUP  5.95
assign  ((resid   64 and name HN   )) ((resid   64 and name HB1  ))   3.79  1.99  0.00 ! #SUP  5.04
assign  ((resid   64 and name HN   )) ((resid   64 and name HB2  ))   3.89  2.09  0.00 ! #SUP  4.99
assign  ((resid   64 and name HN   )) ((resid   65 and name HB1  ))   5.00  3.20  0.00 ! #SUP  3.51
assign  ((resid   64 and name HN   )) ((resid   65 and name HN   ))   3.52  1.72  0.00 ! #SUP  7.18
!assign  ((resid   65 and name HA   )) ((resid   65 and name HB1  ))   2.57  0.77  0.00 ! #SUP  2.31
assign  ((resid   65 and name HB1  )) ((resid   66 and name HN   ))   3.62  1.82  0.00 ! #SUP  4.74
assign  ((resid   65 and name HN   )) ((resid   65 and name HB1  ))   2.94  1.14  0.00 ! #SUP  4.21
assign  ((resid   65 and name HN   )) ((resid   66 and name HN   ))   3.72  1.92  0.00 ! #SUP  5.63
assign (resid 65 and name HB#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.64
assign (resid 65 and name HB#) (resid 66 and name HD2#) 7.000 5.2 0.0 !   mhnoesy_final2.63
assign (resid 65 and name HB#) (resid 66 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.65
assign (resid 65 and name HB#) (resid 7 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.62
!assign  ((resid   66 and name HA   )) ((resid   66 and name HB*  ))   2.94  1.14  0.00 ! #SUP  4.81
!assign  ((resid   66 and name HA   )) ((resid   66 and name HD1* ))   4.28  2.48  0.00 ! #SUP  5.11
!assign  ((resid   66 and name HA   )) ((resid   66 and name HD2* ))   3.21  1.41  0.00 ! #SUP  5.00
!assign  ((resid   66 and name HB*  )) ((resid   66 and name HD1* ))   3.37  1.57  0.00 ! #SUP  4.81
!assign  ((resid   66 and name HB*  )) ((resid   66 and name HD2* ))   3.48  1.68  0.00 ! #SUP  4.81
assign  ((resid   66 and name HD1* )) ((resid   67 and name HN   ))   5.34  3.54  0.00 ! #SUP  5.39
assign  ((resid   66 and name HD2* )) ((resid   67 and name HN   ))   4.96  3.16  0.00 ! #SUP  5.35
assign  ((resid   66 and name HN   )) ((resid   66 and name HB*  ))   3.24  1.44  0.00 ! #SUP  5.33
!assign  ((resid   66 and name HN   )) ((resid   66 and name HD1* ))   4.78  2.98  0.00 ! #SUP  5.49
!assign  ((resid   66 and name HN   )) ((resid   66 and name HD2* ))   4.57  2.77  0.00 ! #SUP  5.38
!assign  ((resid   66 and name HN   )) ((resid   66 and name HG   ))   3.64  1.84  0.00 ! #SUP  4.97
assign (resid 66 and name HD1#) (resid 20 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.134
assign (resid 66 and name HD1#) (resid 59 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.132
!assign (resid 66 and name HD2#) (resid 66 and name HD1#) 7.000 5.2 0.0 !   mhnoesy_final2.125
!assign (resid 66 and name HD2#) (resid 66 and name HG) 7.000 5.2 0.0 !   mhnoesy_final2.126
assign (resid 66 and name HD2#) (resid 7 and name HG2#) 7.000 5.2 0.0 !   mhnoesy_final2.120
!assign  ((resid   67 and name HB1  )) ((resid   67 and name HD*  ))   3.27  1.47  0.00 ! #SUP  4.57
!assign  ((resid   67 and name HB1  )) ((resid   67 and name HG1  ))   2.88  1.08  0.00 ! #SUP  5.38
!assign  ((resid   67 and name HB2  )) ((resid   67 and name HD*  ))   3.51  1.71  0.00 ! #SUP  4.31
assign  ((resid   67 and name HG1  )) ((resid   68 and name HN   ))   4.69  2.89  0.00 ! #SUP  5.27
assign  ((resid   67 and name HN   )) ((resid   67 and name HB1  ))   3.30  1.50  0.00 ! #SUP  5.95
assign  ((resid   67 and name HN   )) ((resid   67 and name HB2  ))   3.58  1.78  0.00 ! #SUP  5.58
!assign  ((resid   67 and name HN   )) ((resid   67 and name HD*  ))   4.65  2.85  0.00 ! #SUP  4.87
assign  ((resid   67 and name HN   )) ((resid   68 and name HN   ))   3.97  2.17  0.00 ! #SUP  4.30
!assign  ((resid   68 and name HA   )) ((resid   68 and name HB2  ))   2.81  1.01  0.00 ! #SUP  5.25
assign  ((resid   68 and name HA   )) ((resid   69 and name HN   ))   3.11  1.31  0.00 ! #SUP  2.99
assign  ((resid   68 and name HB2  )) ((resid   69 and name HN   ))   4.26  2.46  0.00 ! #SUP  3.60
!assign  ((resid   68 and name HN   )) ((resid   69 and name HN   ))   3.84  2.04  0.00 ! #SUP  3.19 diagonal
assign  ((resid   69 and name HA*  )) ((resid   70 and name HN   ))   3.56  1.76  0.00 ! #SUP  1.20
!assign (resid 70 and name HD2) (resid 70 and name HA) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.65
!assign (resid 70 and name HD2) (resid 70 and name HB1) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.67
!assign (resid 70 and name HD2) (resid 70 and name HB2) 3.400 1.6 2.0 !   2dnoesy_arom_simplified.68
!assign (resid 70 and name HD2) (resid 70 and name HE1) 2.800 1.0 2.0 !   2dnoesy_arom_simplified.27
assign  ((resid   70 and name HB1  )) ((resid   71 and name HN   ))   5.11  3.31  0.00 ! #SUP  3.55
assign  ((resid   70 and name HB2  )) ((resid   71 and name HN   ))   5.12  3.32  0.00 ! #SUP  3.55
assign  ((resid   70 and name HN   )) ((resid   70 and name HB1  ))   4.14  2.34  0.00 ! #SUP  3.29
assign (resid 70 and name HD2) (resid 66 and name HD2#) 5.000 3.2 2.0 !   2dnoesy_arom_simplified.69
assign  ((resid   71 and name HA   )) ((resid   72 and name HN   ))   3.41  1.61  0.00 ! #SUP  3.20
assign  ((resid   71 and name HB*  )) ((resid   72 and name HN   ))   4.27  2.47  0.00 ! #SUP  3.20
!assign  ((resid   71 and name HN   )) ((resid   72 and name HN   ))   4.69  2.89  0.00 ! #SUP  3.20 diagonal
assign  ((resid   72 and name HN   )) ((resid   72 and name HB1  ))   3.71  1.91  0.00 ! #SUP  3.92
assign  ((resid   72 and name HN   )) ((resid   72 and name HG*  ))   4.70  2.90  0.00 ! #SUP  3.82
! Distance constraint file from ATNOS/CANDID
! ATNOS/CANDID version 1.1  
! File format   : cns
! File generated: 2006 March  4th, 22:59:24

!assign  ((resid   16 and name HA   )) ((resid   17 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   16 and name HN   )) ((resid   17 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   16 and name HB2  )) ((resid   17 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   17 and name HA   )) ((resid   18 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   17 and name HN   )) ((resid   18 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   17 and name HB2  )) ((resid   18 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HA   )) ((resid   19 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HN   )) ((resid   19 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   18 and name HB   )) ((resid   19 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   19 and name HA   )) ((resid   20 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   19 and name HN   )) ((resid   20 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   19 and name HB2  )) ((resid   20 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   25 and name HA   )) ((resid   26 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   25 and name HN   )) ((resid   26 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   25 and name HB2  )) ((resid   26 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   26 and name HA   )) ((resid   27 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   26 and name HN   )) ((resid   27 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   26 and name HB2  )) ((resid   27 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!!assign  ((resid   27 and name HA2  )) ((resid   28 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   27 and name HN   )) ((resid   28 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   28 and name HA   )) ((resid   29 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   28 and name HN   )) ((resid   29 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   28 and name HB2  )) ((resid   29 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   29 and name HA   )) ((resid   30 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   29 and name HN   )) ((resid   30 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   29 and name HB2  )) ((resid   30 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   35 and name HA   )) ((resid   36 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   35 and name HN   )) ((resid   36 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   35 and name HB2  )) ((resid   36 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   36 and name HA   )) ((resid   37 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   36 and name HN   )) ((resid   37 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   36 and name HB2  )) ((resid   37 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   37 and name HA   )) ((resid   38 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   37 and name HN   )) ((resid   38 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   37 and name HB2  )) ((resid   38 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HA   )) ((resid   51 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HN   )) ((resid   51 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   50 and name HB   )) ((resid   51 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   51 and name HA   )) ((resid   52 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   51 and name HN   )) ((resid   52 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   51 and name HB2  )) ((resid   52 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HA   )) ((resid   53 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HN   )) ((resid   53 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   52 and name HB   )) ((resid   53 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HA   )) ((resid   54 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HN   )) ((resid   54 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   53 and name HB   )) ((resid   54 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   54 and name HA   )) ((resid   55 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   54 and name HN   )) ((resid   55 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   54 and name HB2  )) ((resid   55 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HA   )) ((resid   60 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HN   )) ((resid   60 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!assign  ((resid   59 and name HB   )) ((resid   60 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   60 and name HA   )) ((resid   61 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   60 and name HN   )) ((resid   61 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   60 and name HB2  )) ((resid   61 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!assign  ((resid   61 and name HA   )) ((resid   62 and name HN   ))   2.70  0.90  0.00 ! #SUP  1.00
!assign  ((resid   61 and name HN   )) ((resid   62 and name HN   ))   4.80  3.00  0.00 ! #SUP  1.00
!!assign  ((resid   61 and name HB2  )) ((resid   62 and name HN   ))   5.20  3.40  0.00 ! #SUP  1.00
!!
!
!NOEs added manually for structure refinement, 25.04.2006
!
assign  ((resid   60 and name HD*  )) ((resid   63 and name HN   ))   5.00  3.20  0.00 !
assign  ((resid   15 and name HN   )) ((resid   12 and name HD1# ))   5.50  3.70  0.00 !
assign  ((resid   15 and name HN   )) ((resid   12 and name HD2# ))   6.00  4.20  0.00 !
!methionine sidechains from 2D NOESY in D2O
assign (resid 3 and name HE#) (resid 3 and name HA) 4.500 2.7 0.0 !   metch3.14
assign (resid 3 and name HE#) (resid 3 and name HG1) 4.500 2.7 0.0 !   metch3.16
assign (resid 3 and name HE#) (resid 6 and name HG1#) 6.000 4.2 0.0 !   metch3.19
assign (resid 3 and name HE#) (resid 9 and name HB) 6.000 4.2 0.0 !   metch3.15
assign (resid 26 and name HE#) (resid 18 and name HG2#) 6.000 4.2 0.0 !   metch3.10
assign (resid 26 and name HE#) (resid 20 and name HG1#) 6.000 4.2 0.0 !   metch3.9
assign (resid 28 and name HE#) (resid 12 and name HD2#) 6.000 4.2 0.0 !   metch3.42
assign (resid 28 and name HE#) (resid 16 and name HB1) 6.000 4.2 0.0 !   metch3.37
assign (resid 28 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 !   metch3.38
assign (resid 28 and name HE#) (resid 18 and name HG1#) 6.000 4.2 0.0 !   metch3.40
assign (resid 28 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 !   metch3.35
assign (resid 36 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 !   metch3.55
assign (resid 36 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 !   metch3.50
assign (resid 36 and name HE#) (resid 29 and name HA) 6.000 4.2 0.0 !   metch3.51
assign (resid 36 and name HE#) (resid 30 and name HB1) 6.000 4.2 0.0 !   metch3.57
assign (resid 36 and name HE#) (resid 30 and name HB2) 6.000 4.2 0.0 !   metch3.58
assign (resid 36 and name HE#) (resid 38 and name HA) 6.000 4.2 0.0 !   metch3.53
assign (resid 36 and name HE#) (resid 39 and name HD1) 6.000 4.2 0.0 !   metch3.54
assign (resid 36 and name HE#) (resid 39 and name HD2) 6.000 4.2 0.0 !   metch3.56
assign (resid 26 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 !   metch3.1
assign (resid 54 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 !   metch3.43
assign (resid 54 and name HE#) (resid 55 and name HA) 6.000 4.2 0.0 !   metch3.44
assign (resid 26 and name HE#) (resid 57 and name HA) 4.500 2.7 0.0 !   metch3.4
assign (resid 26 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 !   metch3.7
assign (resid 26 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 !   metch3.6
assign (resid 54 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 !   metch3.48
assign (resid 54 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 !   metch3.47
assign (resid 26 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 !   metch3.12
assign (resid 26 and name HE#) (resid 59 and name HG11) 6.000 4.2 0.0 !   metch3.8
assign (resid 26 and name HE#) (resid 59 and name HG2#) 6.000 4.2 0.0 !   metch3.11
assign (resid 54 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 !   metch3.49
!
!
!assign  (resid   53 and name HN   ) (resid   61 and name HA   )   4.00  2.20  0.00 ! #715 invisible dans 2d noe
!assign  (resid   62 and name HN   ) (resid   52 and name HA   )   4.00  2.20  0.00 ! #715 presque invisible dans 2d noesy
assign  (resid   52 and name HA   ) (resid   61 and name HA   )   4.00  2.20  0.00 ! #715
!
! added constraints with Thr50 OH from 3d nnoesy at 1H=5.87
assign  (resid 50 and name HG1    ) (resid 48 and name HN )       3.00  1.80  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 49 and name HN )       4.00  2.20  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 47 and name HN )       4.00  2.20  0.00  !by hand
assign  (resid 50 and name HG1    ) (resid 46 and name HN )       5.00  3.20  0.00  !by hand

!H-bond restraints for secondary structures
!assign  (resid 42 and name HN    ) (resid 54 and name 0 )       3.00  1.80  0.00  !
assign  (resid 46 and name HN    ) (resid 50 and name 0 )       3.00  1.80  0.00  !

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           1HT      VAL   1  13.415  -0.020   5.897
    2    H2   VAL   1           2HT      VAL   1  13.778   1.214   4.801
    3    H3   VAL   1           3HT      VAL   1  13.300  -0.306   4.231
    4    HA   VAL   1           HA       VAL   1  11.477   1.222   4.034
    5    HB   VAL   1           HB       VAL   1  11.113  -0.773   6.282
    6   HG11  VAL   1          2HG1      VAL   1   8.990   0.557   4.597
    7   HG12  VAL   1          3HG1      VAL   1   9.314   0.894   6.299
    8   HG13  VAL   1          1HG1      VAL   1   8.729  -0.697   5.810
    9   HG21  VAL   1          1HG2      VAL   1  10.537  -0.993   3.330
   10   HG22  VAL   1          2HG2      VAL   1  10.224  -2.233   4.543
   11   HG23  VAL   1          3HG2      VAL   1  11.882  -1.753   4.182
   12    H    ASP   2           H        ASP   2  12.652   0.917   7.358
   13    HA   ASP   2           HA       ASP   2  12.596   2.284   9.160
   14    HB2  ASP   2           2HB      ASP   2  11.866   4.393   7.125
   15    HB3  ASP   2           1HB      ASP   2  12.117   4.735   8.833
   16    H    MET   3           H        MET   3  11.068   1.698  10.521
   17    HA   MET   3           HA       MET   3   8.299   1.722   9.720
   18    HB2  MET   3           2HB      MET   3   9.471   1.041  12.415
   19    HB3  MET   3           1HB      MET   3   7.863   0.635  11.833
   20    HG2  MET   3           2HG      MET   3  10.497  -0.460  10.898
   21    HG3  MET   3           1HG      MET   3   9.177  -1.322  11.682
   22    HE1  MET   3           3HE      MET   3   6.630  -0.130  10.089
   23    HE2  MET   3           1HE      MET   3   6.848  -1.826  10.520
   24    HE3  MET   3           2HE      MET   3   6.458  -1.379   8.857
   25    H    SER   4           H        SER   4  10.259   4.082  10.721
   26    HA   SER   4           HA       SER   4   8.437   5.328  12.609
   27    HB2  SER   4           2HB      SER   4  10.898   5.372  13.001
   28    HB3  SER   4           1HB      SER   4  11.080   6.350  11.545
   29    HG   SER   4           HG       SER   4   9.703   7.017  13.940
   30    H    ASN   5           H        ASN   5   9.207   5.448   9.227
   31    HA   ASN   5           HA       ASN   5   7.805   8.019   9.033
   32    HB2  ASN   5           2HB      ASN   5   8.848   8.243   6.792
   33    HB3  ASN   5           1HB      ASN   5   9.985   8.252   8.115
   34   HD21  ASN   5          1HD2      ASN   5   8.546   5.305   6.854
   35   HD22  ASN   5          2HD2      ASN   5  10.012   4.671   6.198
   36    H    VAL   6           H        VAL   6   7.084   4.939   8.883
   37    HA   VAL   6           HA       VAL   6   5.300   5.270   6.578
   38    HB   VAL   6           HB       VAL   6   6.742   3.317   6.454
   39   HG11  VAL   6          1HG1      VAL   6   6.540   1.443   7.974
   40   HG12  VAL   6          2HG1      VAL   6   5.400   2.354   8.970
   41   HG13  VAL   6          3HG1      VAL   6   7.075   2.892   8.825
   42   HG21  VAL   6          3HG2      VAL   6   3.835   2.678   6.892
   43   HG22  VAL   6          1HG2      VAL   6   4.996   1.580   6.145
   44   HG23  VAL   6          2HG2      VAL   6   4.622   3.124   5.377
   45    H    VAL   7           H        VAL   7   3.178   5.496   6.836
   46    HA   VAL   7           HA       VAL   7   2.107   5.587   9.538
   47    HB   VAL   7           HB       VAL   7  -0.086   6.164   8.377
   48   HG11  VAL   7          1HG1      VAL   7   2.283   7.952   7.884
   49   HG12  VAL   7          2HG1      VAL   7   1.333   7.861   9.367
   50   HG13  VAL   7          3HG1      VAL   7   0.590   8.451   7.879
   51   HG21  VAL   7          3HG2      VAL   7  -0.020   6.870   6.080
   52   HG22  VAL   7          1HG2      VAL   7   0.501   5.189   6.181
   53   HG23  VAL   7          2HG2      VAL   7   1.695   6.474   5.965
   54    H    LYS   8           H        LYS   8   2.050   3.423   6.838
   55    HA   LYS   8           HA       LYS   8   0.942   1.317   8.395
   56    HB2  LYS   8           2HB      LYS   8  -1.122   2.599   7.835
   57    HB3  LYS   8           1HB      LYS   8  -0.790   2.339   6.132
   58    HG2  LYS   8           2HG      LYS   8  -2.417   0.752   6.757
   59    HG3  LYS   8           1HG      LYS   8  -0.897  -0.135   6.613
   60    HD2  LYS   8           2HD      LYS   8  -0.602  -0.033   9.036
   61    HD3  LYS   8           1HD      LYS   8  -2.105   0.880   9.187
   62    HE2  LYS   8           2HE      LYS   8  -3.322  -1.041   8.213
   63    HE3  LYS   8           1HE      LYS   8  -1.811  -1.949   8.177
   64    HZ1  LYS   8           3HZ      LYS   8  -3.147  -0.884  10.611
   65    HZ2  LYS   8           1HZ      LYS   8  -1.675  -1.726  10.592
   66    HZ3  LYS   8           2HZ      LYS   8  -3.109  -2.511  10.132
   67    H    THR   9           H        THR   9   1.613  -0.541   7.641
   68    HA   THR   9           HA       THR   9   2.643  -0.650   4.892
   69    HB   THR   9           HB       THR   9   3.462  -2.044   7.407
   70    HG1  THR   9           1HG      THR   9   4.830  -0.466   7.112
   71   HG21  THR   9          3HG2      THR   9   4.184  -2.966   4.627
   72   HG22  THR   9          1HG2      THR   9   3.161  -3.845   5.765
   73   HG23  THR   9          2HG2      THR   9   4.865  -3.582   6.132
   74    H    TYR  10           H        TYR  10   1.925  -2.139   3.515
   75    HA   TYR  10           HA       TYR  10  -0.328  -3.797   4.396
   76    HB2  TYR  10           2HB      TYR  10   0.052  -2.076   2.060
   77    HB3  TYR  10           1HB      TYR  10  -0.567  -3.683   1.680
   78    HD1  TYR  10           2HD      TYR  10  -2.458  -4.448   3.508
   79    HD2  TYR  10           1HD      TYR  10  -1.517  -0.476   2.339
   80    HE1  TYR  10           2HE      TYR  10  -4.706  -3.712   4.203
   81    HE2  TYR  10           1HE      TYR  10  -3.753   0.275   3.024
   82    HH   TYR  10           HH       TYR  10  -5.907  -0.541   3.447
   83    H    ASP  11           H        ASP  11  -0.184  -5.820   4.285
   84    HA   ASP  11           HA       ASP  11   2.084  -7.022   2.895
   85    HB2  ASP  11           2HB      ASP  11   1.207  -7.453   5.443
   86    HB3  ASP  11           1HB      ASP  11   0.379  -8.750   4.579
   87    H    LEU  12           H        LEU  12   1.751  -7.992   1.100
   88    HA   LEU  12           HA       LEU  12  -0.941  -8.116   0.012
   89    HB2  LEU  12           2HB      LEU  12   1.792  -8.531  -1.184
   90    HB3  LEU  12           1HB      LEU  12   0.335  -8.964  -2.060
   91    HG   LEU  12           HG       LEU  12  -0.422  -6.591  -1.797
   92   HD11  LEU  12          1HD1      LEU  12   0.980  -5.976   0.095
   93   HD12  LEU  12          2HD1      LEU  12   1.175  -4.877  -1.270
   94   HD13  LEU  12          3HD1      LEU  12   2.404  -6.099  -0.938
   95   HD21  LEU  12          3HD2      LEU  12   0.520  -7.413  -3.874
   96   HD22  LEU  12          1HD2      LEU  12   2.143  -7.048  -3.288
   97   HD23  LEU  12          2HD2      LEU  12   1.000  -5.740  -3.588
   98    H    GLN  13           H        GLN  13  -1.904 -10.013  -0.800
   99    HA   GLN  13           HA       GLN  13  -1.552 -12.280   0.832
  100    HB2  GLN  13           2HB      GLN  13  -3.647 -11.481  -0.407
  101    HB3  GLN  13           1HB      GLN  13  -2.966 -12.250  -1.833
  102    HG2  GLN  13           2HG      GLN  13  -2.959 -14.394  -0.693
  103    HG3  GLN  13           1HG      GLN  13  -3.603 -13.627   0.757
  104   HE21  GLN  13          1HE2      GLN  13  -5.359 -11.861  -0.807
  105   HE22  GLN  13          2HE2      GLN  13  -6.656 -12.857  -1.377
  106    H    ASP  14           H        ASP  14   0.156 -11.214  -1.800
  107    HA   ASP  14           HA       ASP  14   0.963 -13.808  -2.851
  108    HB2  ASP  14           2HB      ASP  14   0.611 -12.205  -4.550
  109    HB3  ASP  14           1HB      ASP  14   1.414 -10.933  -3.642
  110    H    GLY  15           H        GLY  15   1.838 -11.556  -0.533
  111    HA2  GLY  15           2HA      GLY  15   3.541 -12.139   1.089
  112    HA3  GLY  15           1HA      GLY  15   4.514 -12.765  -0.229
  113    H    SER  16           H        SER  16   3.646 -10.356  -1.841
  114    HA   SER  16           HA       SER  16   5.928  -8.783  -1.269
  115    HB2  SER  16           2HB      SER  16   3.558  -8.093  -3.017
  116    HB3  SER  16           1HB      SER  16   5.155  -7.361  -3.084
  117    HG   SER  16           HG       SER  16   4.309  -9.890  -3.964
  118    H    LYS  17           H        LYS  17   5.802  -6.408  -0.769
  119    HA   LYS  17           HA       LYS  17   3.542  -5.868   1.034
  120    HB2  LYS  17           2HB      LYS  17   6.508  -5.647   1.597
  121    HB3  LYS  17           1HB      LYS  17   5.278  -4.887   2.612
  122    HG2  LYS  17           2HG      LYS  17   4.478  -6.907   3.387
  123    HG3  LYS  17           1HG      LYS  17   5.105  -7.798   1.998
  124    HD2  LYS  17           2HD      LYS  17   7.367  -7.529   2.802
  125    HD3  LYS  17           1HD      LYS  17   6.796  -6.537   4.147
  126    HE2  LYS  17           2HE      LYS  17   7.301  -9.026   4.577
  127    HE3  LYS  17           1HE      LYS  17   5.814  -8.339   5.227
  128    HZ1  LYS  17           3HZ      LYS  17   4.526  -9.492   3.757
  129    HZ2  LYS  17           1HZ      LYS  17   5.800 -10.595   3.939
  130    HZ3  LYS  17           2HZ      LYS  17   5.734  -9.593   2.573
  131    H    VAL  18           H        VAL  18   2.953  -3.780   1.329
  132    HA   VAL  18           HA       VAL  18   4.303  -1.733  -0.314
  133    HB   VAL  18           HB       VAL  18   1.337  -2.162   0.190
  134   HG11  VAL  18          1HG1      VAL  18   0.943  -0.139  -1.156
  135   HG12  VAL  18          2HG1      VAL  18   2.679   0.155  -1.224
  136   HG13  VAL  18          3HG1      VAL  18   1.833   0.232   0.322
  137   HG21  VAL  18          3HG2      VAL  18   2.876  -2.042  -2.409
  138   HG22  VAL  18          1HG2      VAL  18   1.160  -2.390  -2.214
  139   HG23  VAL  18          2HG2      VAL  18   2.365  -3.525  -1.605
  140    H    HIS  19           H        HIS  19   4.446   0.346   0.647
  141    HA   HIS  19           HA       HIS  19   3.342   0.557   3.363
  142    HB2  HIS  19           2HB      HIS  19   5.993   1.802   2.772
  143    HB3  HIS  19           1HB      HIS  19   5.303   1.345   4.319
  144    HD1  HIS  19           1HD      HIS  19   4.967  -1.561   4.267
  145    HD2  HIS  19           2HD      HIS  19   8.091   0.309   2.325
  146    HE1  HIS  19           1HE      HIS  19   6.690  -3.356   3.910
  147    HE2  HIS  19           2HE      HIS  19   8.530  -2.251   2.592
  148    H    VAL  20           H        VAL  20   2.250   2.356   3.690
  149    HA   VAL  20           HA       VAL  20   2.545   4.523   1.738
  150    HB   VAL  20           HB       VAL  20   0.549   4.353   4.011
  151   HG11  VAL  20          1HG1      VAL  20  -0.609   6.140   2.793
  152   HG12  VAL  20          2HG1      VAL  20   0.671   6.147   1.580
  153   HG13  VAL  20          3HG1      VAL  20   1.028   6.627   3.238
  154   HG21  VAL  20          3HG2      VAL  20  -1.107   3.769   2.288
  155   HG22  VAL  20          1HG2      VAL  20   0.148   2.539   2.440
  156   HG23  VAL  20          2HG2      VAL  20   0.188   3.676   1.092
  157    H    PHE  21           H        PHE  21   3.887   6.100   2.226
  158    HA   PHE  21           HA       PHE  21   5.077   6.066   4.875
  159    HB2  PHE  21           2HB      PHE  21   5.867   7.329   2.266
  160    HB3  PHE  21           1HB      PHE  21   6.720   7.673   3.766
  161    HD1  PHE  21           1HD      PHE  21   6.019   5.183   1.195
  162    HD2  PHE  21           2HD      PHE  21   8.120   5.953   4.840
  163    HE1  PHE  21           1HE      PHE  21   7.381   3.162   0.855
  164    HE2  PHE  21           2HE      PHE  21   9.464   3.936   4.485
  165    HZ   PHE  21           HZ       PHE  21   9.152   2.561   2.567
  166    H    LYS  22           H        LYS  22   5.481   7.994   6.050
  167    HA   LYS  22           HA       LYS  22   3.178   9.616   6.337
  168    HB2  LYS  22           2HB      LYS  22   5.955   9.769   7.516
  169    HB3  LYS  22           1HB      LYS  22   4.656  10.861   7.983
  170    HG2  LYS  22           2HG      LYS  22   3.372   9.090   8.887
  171    HG3  LYS  22           1HG      LYS  22   4.426   7.874   8.172
  172    HD2  LYS  22           2HD      LYS  22   4.699   8.261  10.648
  173    HD3  LYS  22           1HD      LYS  22   6.173   8.365   9.686
  174    HE2  LYS  22           2HE      LYS  22   6.268  10.684   9.863
  175    HE3  LYS  22           1HE      LYS  22   4.575  10.813  10.343
  176    HZ1  LYS  22           3HZ      LYS  22   5.987  11.171  12.243
  177    HZ2  LYS  22           1HZ      LYS  22   6.790   9.699  11.983
  178    HZ3  LYS  22           2HZ      LYS  22   5.159   9.705  12.440
  179    H    ASP  23           H        ASP  23   5.820   9.802   4.263
  180    HA   ASP  23           HA       ASP  23   5.716  12.666   3.903
  181    HB2  ASP  23           2HB      ASP  23   7.878  11.405   3.830
  182    HB3  ASP  23           1HB      ASP  23   7.299  10.579   2.389
  183    H    GLY  24           H        GLY  24   3.985  10.028   3.011
  184    HA2  GLY  24           2HA      GLY  24   2.017  10.258   1.819
  185    HA3  GLY  24           1HA      GLY  24   2.732  11.575   0.933
  186    H    LYS  25           H        LYS  25   5.146   9.539   0.542
  187    HA   LYS  25           HA       LYS  25   4.061   8.420  -1.874
  188    HB2  LYS  25           2HB      LYS  25   6.774   8.766  -0.689
  189    HB3  LYS  25           1HB      LYS  25   6.544   7.501  -1.887
  190    HG2  LYS  25           2HG      LYS  25   7.373   9.591  -2.834
  191    HG3  LYS  25           1HG      LYS  25   5.833   9.103  -3.524
  192    HD2  LYS  25           2HD      LYS  25   5.832  11.485  -3.151
  193    HD3  LYS  25           1HD      LYS  25   4.714  10.725  -2.019
  194    HE2  LYS  25           2HE      LYS  25   6.085  12.463  -0.953
  195    HE3  LYS  25           1HE      LYS  25   6.351  10.869  -0.249
  196    HZ1  LYS  25           3HZ      LYS  25   8.417  12.090  -0.589
  197    HZ2  LYS  25           1HZ      LYS  25   8.115  12.168  -2.257
  198    HZ3  LYS  25           2HZ      LYS  25   8.386  10.667  -1.512
  199    H    MET  26           H        MET  26   5.282   6.109  -2.230
  200    HA   MET  26           HA       MET  26   4.590   4.371  -0.009
  201    HB2  MET  26           2HB      MET  26   3.446   4.085  -2.799
  202    HB3  MET  26           1HB      MET  26   3.299   2.886  -1.526
  203    HG2  MET  26           2HG      MET  26   1.262   3.969  -1.480
  204    HG3  MET  26           1HG      MET  26   2.162   4.746  -0.179
  205    HE1  MET  26           3HE      MET  26   2.660   5.315  -4.036
  206    HE2  MET  26           1HE      MET  26   1.563   6.667  -4.339
  207    HE3  MET  26           2HE      MET  26   0.916   5.089  -3.901
  208    H    GLY  27           H        GLY  27   5.664   2.434  -0.032
  209    HA2  GLY  27           2HA      GLY  27   7.604   2.039  -2.223
  210    HA3  GLY  27           1HA      GLY  27   8.049   1.826  -0.535
  211    H    MET  28           H        MET  28   7.800  -0.005  -2.993
  212    HA   MET  28           HA       MET  28   6.084  -2.014  -1.696
  213    HB2  MET  28           2HB      MET  28   5.136  -1.197  -3.822
  214    HB3  MET  28           1HB      MET  28   6.600  -1.695  -4.660
  215    HG2  MET  28           2HG      MET  28   6.166  -4.005  -4.149
  216    HG3  MET  28           1HG      MET  28   4.777  -3.562  -3.160
  217    HE1  MET  28           3HE      MET  28   4.800  -5.729  -5.567
  218    HE2  MET  28           1HE      MET  28   3.238  -5.377  -6.306
  219    HE3  MET  28           2HE      MET  28   3.398  -5.400  -4.549
  220    H    GLU  29           H        GLU  29   6.822  -4.027  -1.456
  221    HA   GLU  29           HA       GLU  29   9.497  -4.685  -2.486
  222    HB2  GLU  29           2HB      GLU  29   8.420  -5.051   0.316
  223    HB3  GLU  29           1HB      GLU  29   9.791  -5.971  -0.296
  224    HG2  GLU  29           2HG      GLU  29  11.113  -4.059  -0.530
  225    HG3  GLU  29           1HG      GLU  29   9.735  -2.978  -0.328
  226    H    ASN  30           H        ASN  30   9.784  -6.998  -2.837
  227    HA   ASN  30           HA       ASN  30   7.263  -8.365  -3.338
  228    HB2  ASN  30           2HB      ASN  30   8.567 -10.028  -4.503
  229    HB3  ASN  30           1HB      ASN  30   9.153  -8.438  -4.987
  230   HD21  ASN  30          1HD2      ASN  30  10.485 -10.980  -5.131
  231   HD22  ASN  30          2HD2      ASN  30  11.938 -10.823  -4.190
  232    H    LYS  31           H        LYS  31   7.043 -10.677  -2.655
  233    HA   LYS  31           HA       LYS  31   7.153 -11.204  -0.001
  234    HB2  LYS  31           2HB      LYS  31   7.026 -13.617  -0.601
  235    HB3  LYS  31           1HB      LYS  31   5.853 -12.580  -1.394
  236    HG2  LYS  31           2HG      LYS  31   7.245 -12.602  -3.423
  237    HG3  LYS  31           1HG      LYS  31   8.366 -13.702  -2.613
  238    HD2  LYS  31           2HD      LYS  31   6.634 -15.366  -2.386
  239    HD3  LYS  31           1HD      LYS  31   5.436 -14.260  -3.056
  240    HE2  LYS  31           2HE      LYS  31   6.726 -14.219  -5.173
  241    HE3  LYS  31           1HE      LYS  31   7.821 -15.418  -4.495
  242    HZ1  LYS  31           3HZ      LYS  31   6.073 -16.373  -5.923
  243    HZ2  LYS  31           1HZ      LYS  31   4.901 -15.820  -4.833
  244    HZ3  LYS  31           2HZ      LYS  31   6.029 -16.981  -4.339
  245    H    PHE  32           H        PHE  32   9.977 -10.638  -1.518
  246    HA   PHE  32           HA       PHE  32  11.426 -12.477   0.254
  247    HB2  PHE  32           2HB      PHE  32  12.282 -11.417  -2.446
  248    HB3  PHE  32           1HB      PHE  32  13.332 -12.318  -1.354
  249    HD1  PHE  32           1HD      PHE  32  12.789 -14.685  -0.812
  250    HD2  PHE  32           2HD      PHE  32  10.723 -12.519  -3.834
  251    HE1  PHE  32           1HE      PHE  32  11.995 -16.802  -1.771
  252    HE2  PHE  32           2HE      PHE  32   9.920 -14.635  -4.803
  253    HZ   PHE  32           HZ       PHE  32  10.508 -16.766  -3.761
  254    H    GLY  33           H        GLY  33  10.410  -9.417   0.058
  255    HA2  GLY  33           2HA      GLY  33  10.972  -7.734   1.531
  256    HA3  GLY  33           1HA      GLY  33  12.423  -8.624   1.953
  257    H    LYS  34           H        LYS  34  11.712  -8.004  -1.363
  258    HA   LYS  34           HA       LYS  34  13.937  -6.075  -1.378
  259    HB2  LYS  34           2HB      LYS  34  13.081  -7.981  -3.553
  260    HB3  LYS  34           1HB      LYS  34  14.426  -6.844  -3.653
  261    HG2  LYS  34           2HG      LYS  34  14.225  -8.896  -1.507
  262    HG3  LYS  34           1HG      LYS  34  14.978  -9.245  -3.062
  263    HD2  LYS  34           2HD      LYS  34  16.641  -7.551  -2.683
  264    HD3  LYS  34           1HD      LYS  34  15.786  -6.970  -1.252
  265    HE2  LYS  34           2HE      LYS  34  17.057  -9.684  -1.561
  266    HE3  LYS  34           1HE      LYS  34  17.737  -8.330  -0.659
  267    HZ1  LYS  34           3HZ      LYS  34  15.898  -8.406   0.860
  268    HZ2  LYS  34           1HZ      LYS  34  16.577  -9.957   0.759
  269    HZ3  LYS  34           2HZ      LYS  34  15.127  -9.615  -0.047
  270    H    SER  35           H        SER  35  13.852  -4.299  -2.466
  271    HA   SER  35           HA       SER  35  11.202  -3.183  -2.674
  272    HB2  SER  35           2HB      SER  35  13.857  -1.845  -3.184
  273    HB3  SER  35           1HB      SER  35  12.323  -1.060  -2.811
  274    HG   SER  35           HG       SER  35  13.407  -2.956  -1.033
  275    H    MET  36           H        MET  36  10.066  -2.806  -4.452
  276    HA   MET  36           HA       MET  36  11.393  -2.391  -6.998
  277    HB2  MET  36           2HB      MET  36   9.585  -4.048  -7.997
  278    HB3  MET  36           1HB      MET  36  11.154  -4.620  -7.457
  279    HG2  MET  36           2HG      MET  36   9.554  -6.145  -6.648
  280    HG3  MET  36           1HG      MET  36  10.095  -5.198  -5.268
  281    HE1  MET  36           3HE      MET  36   7.205  -5.923  -7.789
  282    HE2  MET  36           1HE      MET  36   7.539  -4.224  -8.122
  283    HE3  MET  36           2HE      MET  36   6.017  -4.691  -7.361
  284    H    ASN  37           H        ASN  37   9.999  -1.449  -8.604
  285    HA   ASN  37           HA       ASN  37   8.332   0.514  -7.427
  286    HB2  ASN  37           2HB      ASN  37   7.990   1.374  -9.647
  287    HB3  ASN  37           1HB      ASN  37   9.668   0.865  -9.513
  288   HD21  ASN  37          1HD2      ASN  37  10.374  -0.930 -10.660
  289   HD22  ASN  37          2HD2      ASN  37   9.460  -1.602 -11.974
  290    H    MET  38           H        MET  38   6.162   0.773  -7.391
  291    HA   MET  38           HA       MET  38   4.556  -1.612  -7.761
  292    HB2  MET  38           2HB      MET  38   4.323  -0.258  -5.705
  293    HB3  MET  38           1HB      MET  38   3.804   1.112  -6.675
  294    HG2  MET  38           2HG      MET  38   1.812  -0.062  -7.354
  295    HG3  MET  38           1HG      MET  38   2.347  -1.517  -6.512
  296    HE1  MET  38           3HE      MET  38  -0.673  -0.341  -4.323
  297    HE2  MET  38           1HE      MET  38   0.027  -1.665  -5.252
  298    HE3  MET  38           2HE      MET  38  -0.533  -0.209  -6.076
  299    HA   PRO  39           HA       PRO  39   3.378  -0.303 -11.838
  300    HB2  PRO  39           2HB      PRO  39   1.323  -2.393 -11.594
  301    HB3  PRO  39           1HB      PRO  39   2.657  -2.261 -12.744
  302    HG2  PRO  39           2HG      PRO  39   2.654  -4.085 -10.768
  303    HG3  PRO  39           1HG      PRO  39   4.147  -3.318 -11.339
  304    HD2  PRO  39           2HD      PRO  39   2.538  -2.741  -8.881
  305    HD3  PRO  39           1HD      PRO  39   4.300  -2.788  -9.096
  306    H    GLU  40           H        GLU  40   2.167   1.438 -12.201
  307    HA   GLU  40           HA       GLU  40  -0.080   2.147 -10.620
  308    HB2  GLU  40           2HB      GLU  40   1.372   3.806 -11.765
  309    HB3  GLU  40           1HB      GLU  40   0.751   3.247 -13.314
  310    HG2  GLU  40           2HG      GLU  40  -1.533   3.883 -12.537
  311    HG3  GLU  40           1HG      GLU  40  -0.787   4.601 -11.112
  312    H    GLY  41           H        GLY  41  -2.249   2.003 -11.047
  313    HA2  GLY  41           2HA      GLY  41  -4.147   1.688 -12.401
  314    HA3  GLY  41           1HA      GLY  41  -3.113   1.023 -13.655
  315    H    LYS  42           H        LYS  42  -1.988  -0.595 -11.167
  316    HA   LYS  42           HA       LYS  42  -3.850  -2.800 -11.614
  317    HB2  LYS  42           2HB      LYS  42  -1.012  -2.701 -10.638
  318    HB3  LYS  42           1HB      LYS  42  -1.993  -4.155 -10.539
  319    HG2  LYS  42           2HG      LYS  42  -1.240  -2.680 -13.054
  320    HG3  LYS  42           1HG      LYS  42  -0.587  -4.225 -12.502
  321    HD2  LYS  42           2HD      LYS  42  -2.838  -5.209 -12.645
  322    HD3  LYS  42           1HD      LYS  42  -3.459  -3.670 -13.245
  323    HE2  LYS  42           2HE      LYS  42  -3.110  -5.104 -15.121
  324    HE3  LYS  42           1HE      LYS  42  -1.868  -3.854 -15.152
  325    HZ1  LYS  42           3HZ      LYS  42  -1.530  -6.647 -14.202
  326    HZ2  LYS  42           1HZ      LYS  42  -0.328  -5.452 -14.127
  327    HZ3  LYS  42           2HZ      LYS  42  -0.900  -5.988 -15.631
  328    H    VAL  43           H        VAL  43  -5.257  -3.331 -10.147
  329    HA   VAL  43           HA       VAL  43  -4.880  -2.483  -7.391
  330    HB   VAL  43           HB       VAL  43  -7.099  -2.117  -8.326
  331   HG11  VAL  43          1HG1      VAL  43  -7.156  -3.900  -9.976
  332   HG12  VAL  43          2HG1      VAL  43  -8.569  -3.980  -8.923
  333   HG13  VAL  43          3HG1      VAL  43  -7.232  -5.105  -8.690
  334   HG21  VAL  43          3HG2      VAL  43  -6.935  -2.575  -5.940
  335   HG22  VAL  43          1HG2      VAL  43  -7.114  -4.302  -6.248
  336   HG23  VAL  43          2HG2      VAL  43  -8.446  -3.201  -6.596
  337    H    MET  44           H        MET  44  -4.279  -3.818  -5.795
  338    HA   MET  44           HA       MET  44  -4.064  -6.686  -6.417
  339    HB2  MET  44           2HB      MET  44  -1.983  -4.925  -5.118
  340    HB3  MET  44           1HB      MET  44  -1.916  -6.682  -5.109
  341    HG2  MET  44           2HG      MET  44  -1.831  -6.694  -7.549
  342    HG3  MET  44           1HG      MET  44  -1.903  -4.932  -7.557
  343    HE1  MET  44           3HE      MET  44  -0.072  -4.080  -5.173
  344    HE2  MET  44           1HE      MET  44   0.032  -3.354  -6.777
  345    HE3  MET  44           2HE      MET  44   1.494  -3.917  -5.967
  346    H    GLU  45           H        GLU  45  -3.876  -8.053  -4.489
  347    HA   GLU  45           HA       GLU  45  -5.589  -6.965  -2.382
  348    HB2  GLU  45           2HB      GLU  45  -5.242  -9.701  -3.526
  349    HB3  GLU  45           1HB      GLU  45  -5.833  -9.523  -1.880
  350    HG2  GLU  45           2HG      GLU  45  -7.687  -8.202  -2.642
  351    HG3  GLU  45           1HG      GLU  45  -7.078  -8.250  -4.302
  352    H    THR  46           H        THR  46  -5.345  -7.745  -0.281
  353    HA   THR  46           HA       THR  46  -2.538  -8.236   0.477
  354    HB   THR  46           HB       THR  46  -2.960  -7.094   2.573
  355    HG1  THR  46           1HG      THR  46  -5.049  -6.035   2.842
  356   HG21  THR  46          3HG2      THR  46  -3.971  -5.490   0.220
  357   HG22  THR  46          1HG2      THR  46  -2.284  -5.710   0.679
  358   HG23  THR  46          2HG2      THR  46  -3.376  -4.817   1.738
  359    H    ARG  47           H        ARG  47  -2.294  -9.481   2.548
  360    HA   ARG  47           HA       ARG  47  -3.796 -11.876   2.518
  361    HB2  ARG  47           2HB      ARG  47  -2.766 -12.181   4.826
  362    HB3  ARG  47           1HB      ARG  47  -1.687 -12.109   3.444
  363    HG2  ARG  47           2HG      ARG  47  -1.034  -9.900   4.010
  364    HG3  ARG  47           1HG      ARG  47  -2.292  -9.790   5.250
  365    HD2  ARG  47           2HD      ARG  47  -1.187 -11.785   6.344
  366    HD3  ARG  47           1HD      ARG  47   0.158 -11.533   5.234
  367    HE   ARG  47           HE       ARG  47  -0.535  -9.171   6.702
  368   HH11  ARG  47          1HH1      ARG  47   1.226 -12.191   6.889
  369   HH12  ARG  47          2HH1      ARG  47   2.386 -11.602   8.039
  370   HH21  ARG  47          1HH2      ARG  47   0.976  -8.393   8.232
  371   HH22  ARG  47          2HH2      ARG  47   2.244  -9.434   8.806
  372    H    ASP  48           H        ASP  48  -4.428  -8.863   3.777
  373    HA   ASP  48           HA       ASP  48  -6.012  -9.796   6.026
  374    HB2  ASP  48           2HB      ASP  48  -4.449  -7.970   6.343
  375    HB3  ASP  48           1HB      ASP  48  -5.248  -7.025   5.086
  376    H    GLY  49           H        GLY  49  -6.393  -8.856   2.774
  377    HA2  GLY  49           2HA      GLY  49  -8.410  -9.493   1.650
  378    HA3  GLY  49           1HA      GLY  49  -9.298  -9.153   3.128
  379    H    THR  50           H        THR  50  -6.931  -6.835   2.252
  380    HA   THR  50           HA       THR  50  -9.046  -4.979   1.448
  381    HB   THR  50           HB       THR  50  -6.165  -4.218   1.914
  382    HG1  THR  50           1HG      THR  50  -8.169  -4.731   3.878
  383   HG21  THR  50          3HG2      THR  50  -7.167  -2.091   2.606
  384   HG22  THR  50          1HG2      THR  50  -8.777  -2.763   2.329
  385   HG23  THR  50          2HG2      THR  50  -7.670  -2.541   0.976
  386    H    LYS  51           H        LYS  51  -8.731  -3.682  -0.465
  387    HA   LYS  51           HA       LYS  51  -6.771  -4.792  -2.350
  388    HB2  LYS  51           2HB      LYS  51  -9.527  -3.694  -2.942
  389    HB3  LYS  51           1HB      LYS  51  -8.315  -4.021  -4.175
  390    HG2  LYS  51           2HG      LYS  51  -8.268  -6.391  -3.375
  391    HG3  LYS  51           1HG      LYS  51  -9.653  -6.003  -2.356
  392    HD2  LYS  51           2HD      LYS  51 -10.981  -5.447  -4.293
  393    HD3  LYS  51           1HD      LYS  51  -9.583  -5.660  -5.351
  394    HE2  LYS  51           2HE      LYS  51  -9.471  -8.032  -4.680
  395    HE3  LYS  51           1HE      LYS  51 -10.918  -7.800  -3.698
  396    HZ1  LYS  51           3HZ      LYS  51 -11.382  -8.771  -5.889
  397    HZ2  LYS  51           1HZ      LYS  51 -10.785  -7.373  -6.634
  398    HZ3  LYS  51           2HZ      LYS  51 -12.176  -7.294  -5.659
  399    H    ILE  52           H        ILE  52  -5.459  -3.411  -3.366
  400    HA   ILE  52           HA       ILE  52  -5.796  -0.537  -2.877
  401    HB   ILE  52           HB       ILE  52  -3.378  -0.359  -2.341
  402   HG12  ILE  52          2HG1      ILE  52  -3.499  -3.379  -2.135
  403   HG13  ILE  52          1HG1      ILE  52  -2.669  -2.486  -3.403
  404   HG21  ILE  52          1HG2      ILE  52  -4.922  -2.147  -0.467
  405   HG22  ILE  52          2HG2      ILE  52  -5.059  -0.393  -0.558
  406   HG23  ILE  52          3HG2      ILE  52  -3.547  -1.131  -0.035
  407   HD11  ILE  52          3HD1      ILE  52  -1.096  -3.280  -1.757
  408   HD12  ILE  52          1HD1      ILE  52  -1.992  -2.468  -0.474
  409   HD13  ILE  52          2HD1      ILE  52  -1.175  -1.517  -1.714
  410    H    ILE  53           H        ILE  53  -4.531   0.807  -4.268
  411    HA   ILE  53           HA       ILE  53  -2.980  -0.371  -6.383
  412    HB   ILE  53           HB       ILE  53  -4.908  -0.700  -7.653
  413   HG12  ILE  53          2HG1      ILE  53  -3.636   1.934  -8.336
  414   HG13  ILE  53          1HG1      ILE  53  -3.432   0.369  -9.114
  415   HG21  ILE  53          1HG2      ILE  53  -5.936   2.002  -6.821
  416   HG22  ILE  53          2HG2      ILE  53  -6.480   0.450  -6.189
  417   HG23  ILE  53          3HG2      ILE  53  -6.752   0.858  -7.884
  418   HD11  ILE  53          3HD1      ILE  53  -5.643   0.542 -10.087
  419   HD12  ILE  53          1HD1      ILE  53  -4.669   1.958 -10.498
  420   HD13  ILE  53          2HD1      ILE  53  -5.909   2.070  -9.247
  421    H    MET  54           H        MET  54  -1.718   1.131  -7.519
  422    HA   MET  54           HA       MET  54  -1.538   3.757  -6.204
  423    HB2  MET  54           2HB      MET  54   0.540   2.453  -6.123
  424    HB3  MET  54           1HB      MET  54   0.501   2.250  -7.870
  425    HG2  MET  54           2HG      MET  54   0.801   4.636  -8.176
  426    HG3  MET  54           1HG      MET  54   0.774   4.881  -6.431
  427    HE1  MET  54           3HE      MET  54   4.509   5.608  -7.308
  428    HE2  MET  54           1HE      MET  54   3.042   6.215  -6.541
  429    HE3  MET  54           2HE      MET  54   3.098   6.003  -8.290
  430    H    LYS  55           H        LYS  55  -2.411   5.379  -7.306
  431    HA   LYS  55           HA       LYS  55  -2.209   5.375 -10.219
  432    HB2  LYS  55           2HB      LYS  55  -4.432   4.419  -9.645
  433    HB3  LYS  55           1HB      LYS  55  -4.811   5.892  -8.764
  434    HG2  LYS  55           2HG      LYS  55  -5.840   5.910 -10.960
  435    HG3  LYS  55           1HG      LYS  55  -4.619   7.181 -10.837
  436    HD2  LYS  55           2HD      LYS  55  -3.013   5.642 -11.968
  437    HD3  LYS  55           1HD      LYS  55  -4.343   4.508 -12.211
  438    HE2  LYS  55           2HE      LYS  55  -5.535   6.156 -13.541
  439    HE3  LYS  55           1HE      LYS  55  -4.265   7.344 -13.243
  440    HZ1  LYS  55           3HZ      LYS  55  -3.903   6.409 -15.382
  441    HZ2  LYS  55           1HZ      LYS  55  -4.036   4.820 -14.793
  442    HZ3  LYS  55           2HZ      LYS  55  -2.705   5.780 -14.359
  443    H    GLY  56           H        GLY  56  -1.671   7.297 -10.995
  444    HA2  GLY  56           2HA      GLY  56  -1.131   9.523 -11.080
  445    HA3  GLY  56           1HA      GLY  56  -2.520   9.781 -10.040
  446    H    ASN  57           H        ASN  57   0.401   7.937  -9.274
  447    HA   ASN  57           HA       ASN  57   2.056   8.224  -7.744
  448    HB2  ASN  57           2HB      ASN  57   2.051  10.575  -8.929
  449    HB3  ASN  57           1HB      ASN  57   1.377  11.129  -7.401
  450   HD21  ASN  57          1HD2      ASN  57   2.854   9.355  -5.718
  451   HD22  ASN  57          2HD2      ASN  57   4.509   9.884  -5.749
  452    H    GLU  58           H        GLU  58  -1.016   8.210  -7.129
  453    HA   GLU  58           HA       GLU  58  -0.771   8.700  -4.237
  454    HB2  GLU  58           2HB      GLU  58  -3.257   8.546  -5.946
  455    HB3  GLU  58           1HB      GLU  58  -3.238   8.791  -4.206
  456    HG2  GLU  58           2HG      GLU  58  -1.959  10.895  -4.591
  457    HG3  GLU  58           1HG      GLU  58  -2.211  10.661  -6.322
  458    H    ILE  59           H        ILE  59  -2.635   7.248  -3.136
  459    HA   ILE  59           HA       ILE  59  -2.422   4.537  -4.188
  460    HB   ILE  59           HB       ILE  59  -1.002   5.467  -1.912
  461   HG12  ILE  59          2HG1      ILE  59  -0.329   3.768  -3.590
  462   HG13  ILE  59          1HG1      ILE  59  -0.062   3.261  -1.929
  463   HG21  ILE  59          1HG2      ILE  59  -1.731   3.930  -0.159
  464   HG22  ILE  59          2HG2      ILE  59  -3.101   3.437  -1.153
  465   HG23  ILE  59          3HG2      ILE  59  -2.997   5.092  -0.555
  466   HD11  ILE  59          3HD1      ILE  59  -0.933   1.443  -3.287
  467   HD12  ILE  59          1HD1      ILE  59  -2.354   2.410  -3.684
  468   HD13  ILE  59          2HD1      ILE  59  -2.077   1.893  -2.020
  469    H    PHE  60           H        PHE  60  -4.352   3.758  -4.437
  470    HA   PHE  60           HA       PHE  60  -6.659   4.661  -2.926
  471    HB2  PHE  60           2HB      PHE  60  -7.357   4.152  -5.042
  472    HB3  PHE  60           1HB      PHE  60  -6.072   2.992  -5.304
  473    HD1  PHE  60           1HD      PHE  60  -6.378   0.653  -4.208
  474    HD2  PHE  60           2HD      PHE  60  -9.525   3.463  -4.695
  475    HE1  PHE  60           1HE      PHE  60  -8.041  -1.142  -3.909
  476    HE2  PHE  60           2HE      PHE  60 -11.179   1.694  -4.405
  477    HZ   PHE  60           HZ       PHE  60 -10.333  -0.753  -4.270
  478    H    ARG  61           H        ARG  61  -6.902   3.957  -0.919
  479    HA   ARG  61           HA       ARG  61  -6.402   1.094  -0.455
  480    HB2  ARG  61           2HB      ARG  61  -5.147   2.540   1.110
  481    HB3  ARG  61           1HB      ARG  61  -6.633   3.362   1.564
  482    HG2  ARG  61           2HG      ARG  61  -7.468   1.089   2.336
  483    HG3  ARG  61           1HG      ARG  61  -5.796   0.546   2.173
  484    HD2  ARG  61           2HD      ARG  61  -5.064   2.233   3.755
  485    HD3  ARG  61           1HD      ARG  61  -6.705   2.866   3.873
  486    HE   ARG  61           HE       ARG  61  -6.251   0.069   4.583
  487   HH11  ARG  61          1HH1      ARG  61  -6.863   3.352   5.633
  488   HH12  ARG  61          2HH1      ARG  61  -7.428   2.892   7.206
  489   HH21  ARG  61          1HH2      ARG  61  -6.982  -0.558   6.649
  490   HH22  ARG  61          2HH2      ARG  61  -7.496   0.656   7.791
  491    H    LEU  62           H        LEU  62  -8.235   0.093  -0.810
  492    HA   LEU  62           HA       LEU  62 -10.376   0.016  -1.737
  493    HB2  LEU  62           2HB      LEU  62 -12.093  -0.100  -0.011
  494    HB3  LEU  62           1HB      LEU  62 -10.643  -0.970   0.444
  495    HG   LEU  62           HG       LEU  62 -10.717   1.782   1.451
  496   HD11  LEU  62          1HD1      LEU  62 -12.760  -0.214   2.421
  497   HD12  LEU  62          2HD1      LEU  62 -13.106   1.281   1.553
  498   HD13  LEU  62          3HD1      LEU  62 -12.396   1.344   3.166
  499   HD21  LEU  62          3HD2      LEU  62  -9.061   0.133   2.145
  500   HD22  LEU  62          1HD2      LEU  62 -10.344  -0.915   2.750
  501   HD23  LEU  62          2HD2      LEU  62 -10.049   0.647   3.516
  502    H    ASP  63           H        ASP  63  -9.203   2.850  -1.597
  503    HA   ASP  63           HA       ASP  63  -9.722   4.960  -2.106
  504    HB2  ASP  63           2HB      ASP  63 -10.886   4.245  -3.997
  505    HB3  ASP  63           1HB      ASP  63 -12.220   3.641  -3.037
  506    H    GLU  64           H        GLU  64 -12.458   3.525  -0.401
  507    HA   GLU  64           HA       GLU  64 -13.400   6.029   0.565
  508    HB2  GLU  64           2HB      GLU  64 -14.041   3.238   1.516
  509    HB3  GLU  64           1HB      GLU  64 -14.912   4.696   1.981
  510    HG2  GLU  64           2HG      GLU  64 -15.350   5.056  -0.483
  511    HG3  GLU  64           1HG      GLU  64 -14.757   3.414  -0.726
  512    H    ALA  65           H        ALA  65 -10.903   3.954   1.674
  513    HA   ALA  65           HA       ALA  65 -10.852   4.816   4.391
  514    HB1  ALA  65           1HB      ALA  65  -9.610   2.850   3.295
  515    HB2  ALA  65           2HB      ALA  65  -8.778   3.768   4.546
  516    HB3  ALA  65           3HB      ALA  65  -8.401   4.049   2.846
  517    H    LEU  66           H        LEU  66  -9.829   6.090   1.383
  518    HA   LEU  66           HA       LEU  66  -8.365   8.318   2.537
  519    HB2  LEU  66           2HB      LEU  66  -9.275   7.939  -0.313
  520    HB3  LEU  66           1HB      LEU  66  -8.001   8.998   0.267
  521    HG   LEU  66           HG       LEU  66  -7.803   6.023   0.603
  522   HD11  LEU  66          1HD1      LEU  66  -6.986   7.639  -1.805
  523   HD12  LEU  66          2HD1      LEU  66  -8.238   6.395  -1.748
  524   HD13  LEU  66          3HD1      LEU  66  -6.547   5.957  -1.502
  525   HD21  LEU  66          3HD2      LEU  66  -6.248   7.439   1.866
  526   HD22  LEU  66          1HD2      LEU  66  -5.736   8.214   0.368
  527   HD23  LEU  66          2HD2      LEU  66  -5.407   6.500   0.632
  528    H    ARG  67           H        ARG  67 -11.469   7.530   1.216
  529    HA   ARG  67           HA       ARG  67 -12.575  10.053   0.835
  530    HB2  ARG  67           2HB      ARG  67 -13.622   7.991   0.040
  531    HB3  ARG  67           1HB      ARG  67 -13.914   7.483   1.692
  532    HG2  ARG  67           2HG      ARG  67 -15.358   9.491   1.981
  533    HG3  ARG  67           1HG      ARG  67 -15.160   9.789   0.258
  534    HD2  ARG  67           2HD      ARG  67 -16.191   7.672  -0.278
  535    HD3  ARG  67           1HD      ARG  67 -16.285   7.254   1.433
  536    HE   ARG  67           HE       ARG  67 -17.621   9.687   1.037
  537   HH11  ARG  67          1HH1      ARG  67 -18.011   6.272   0.257
  538   HH12  ARG  67          2HH1      ARG  67 -19.741   6.382   0.158
  539   HH21  ARG  67          1HH2      ARG  67 -19.883   9.783   0.973
  540   HH22  ARG  67          2HH2      ARG  67 -20.811   8.358   0.606
  541    H    LYS  68           H        LYS  68 -13.206   7.913   3.634
  542    HA   LYS  68           HA       LYS  68 -13.440  10.328   5.300
  543    HB2  LYS  68           2HB      LYS  68 -15.395   9.315   6.421
  544    HB3  LYS  68           1HB      LYS  68 -15.703   9.708   4.737
  545    HG2  LYS  68           2HG      LYS  68 -15.379   7.354   4.141
  546    HG3  LYS  68           1HG      LYS  68 -15.088   6.972   5.840
  547    HD2  LYS  68           2HD      LYS  68 -17.347   7.762   6.390
  548    HD3  LYS  68           1HD      LYS  68 -17.634   8.116   4.685
  549    HE2  LYS  68           2HE      LYS  68 -18.636   5.999   5.226
  550    HE3  LYS  68           1HE      LYS  68 -17.250   5.726   4.171
  551    HZ1  LYS  68           3HZ      LYS  68 -15.976   5.338   6.338
  552    HZ2  LYS  68           1HZ      LYS  68 -17.046   4.128   5.824
  553    HZ3  LYS  68           2HZ      LYS  68 -17.499   5.186   7.068
  554    H    GLY  69           H        GLY  69 -11.538   7.966   4.884
  555    HA2  GLY  69           2HA      GLY  69 -11.598   6.775   7.558
  556    HA3  GLY  69           1HA      GLY  69 -10.625   6.220   6.204
  557    H    HIS  70           H        HIS  70 -10.712   9.603   6.933
  558    HA   HIS  70           HA       HIS  70  -7.903   9.520   7.658
  559    HB2  HIS  70           2HB      HIS  70  -9.811  11.734   6.976
  560    HB3  HIS  70           1HB      HIS  70  -8.302  12.095   7.808
  561    HD1  HIS  70           1HD      HIS  70  -6.105  11.776   6.496
  562    HD2  HIS  70           2HD      HIS  70  -9.541  10.999   4.280
  563    HE1  HIS  70           1HE      HIS  70  -5.354  11.658   4.096
  564    HE2  HIS  70           2HE      HIS  70  -7.466  11.322   2.757
  565    H    SER  71           H        SER  71  -7.380   9.107   9.659
  566    HA   SER  71           HA       SER  71  -9.184   9.999  11.812
  567    HB2  SER  71           2HB      SER  71  -7.267   7.660  11.859
  568    HB3  SER  71           1HB      SER  71  -8.479   8.064  13.077
  569    HG   SER  71           HG       SER  71 -10.011   7.833  11.190
  570    H    GLU  72           H        GLU  72  -6.018  10.171  10.517
  571    HA   GLU  72           HA       GLU  72  -4.052  11.058  11.202
  572    HB2  GLU  72           2HB      GLU  72  -5.282  13.083  11.713
  573    HB3  GLU  72           1HB      GLU  72  -5.807  12.425  13.255
  574    HG2  GLU  72           2HG      GLU  72  -4.028  14.069  13.519
  575    HG3  GLU  72           1HG      GLU  72  -3.536  12.476  14.088
  576    H    GLY  73           H        GLY  73  -3.117   9.141  11.739
  577    HA2  GLY  73           2HA      GLY  73  -1.890   8.064  13.553
  578    HA3  GLY  73           1HA      GLY  73  -3.305   8.323  14.568
  579    H    GLY  74           H        GLY  74  -4.895   6.811  14.609
  580    HA2  GLY  74           2HA      GLY  74  -5.946   5.201  12.787
  581    HA3  GLY  74           1HA      GLY  74  -4.422   4.373  13.083
  Start of MODEL    2
    1    H1   VAL   1           1HT      VAL   1  14.277  -1.830   4.142
    2    H2   VAL   1           2HT      VAL   1  13.507  -1.896   2.639
    3    H3   VAL   1           3HT      VAL   1  12.631  -2.211   4.052
    4    HA   VAL   1           HA       VAL   1  13.828   0.382   3.262
    5    HB   VAL   1           HB       VAL   1  11.563   1.212   3.118
    6   HG11  VAL   1          2HG1      VAL   1  12.448   0.257   1.080
    7   HG12  VAL   1          3HG1      VAL   1  10.715  -0.053   1.193
    8   HG13  VAL   1          1HG1      VAL   1  11.866  -1.343   1.548
    9   HG21  VAL   1          1HG2      VAL   1  10.699  -1.573   3.887
   10   HG22  VAL   1          2HG2      VAL   1   9.616  -0.292   3.339
   11   HG23  VAL   1          3HG2      VAL   1  10.512  -0.104   4.847
   12    H    ASP   2           H        ASP   2  13.106   2.154   4.717
   13    HA   ASP   2           HA       ASP   2  13.195   1.381   7.495
   14    HB2  ASP   2           2HB      ASP   2  14.315   3.437   6.778
   15    HB3  ASP   2           1HB      ASP   2  12.781   4.093   6.213
   16    H    MET   3           H        MET   3  11.519   1.321   8.919
   17    HA   MET   3           HA       MET   3   8.848   1.579   7.723
   18    HB2  MET   3           2HB      MET   3   9.650  -0.177  10.040
   19    HB3  MET   3           1HB      MET   3   8.139  -0.197   9.150
   20    HG2  MET   3           2HG      MET   3   9.570  -0.779   7.104
   21    HG3  MET   3           1HG      MET   3  10.836  -1.149   8.273
   22    HE1  MET   3           3HE      MET   3   6.859  -3.392   7.732
   23    HE2  MET   3           1HE      MET   3   7.519  -2.176   6.635
   24    HE3  MET   3           2HE      MET   3   6.918  -1.699   8.224
   25    H    SER   4           H        SER   4  10.691   3.428   9.344
   26    HA   SER   4           HA       SER   4   9.029   3.977  11.667
   27    HB2  SER   4           2HB      SER   4  11.517   4.073  11.813
   28    HB3  SER   4           1HB      SER   4  11.507   5.412  10.667
   29    HG   SER   4           HG       SER   4  11.358   5.600  13.245
   30    H    ASN   5           H        ASN   5   9.450   5.001   8.426
   31    HA   ASN   5           HA       ASN   5   7.973   7.501   8.891
   32    HB2  ASN   5           2HB      ASN   5   8.652   7.991   6.501
   33    HB3  ASN   5           1HB      ASN   5   9.947   7.939   7.675
   34   HD21  ASN   5          1HD2      ASN   5   8.438   5.046   6.485
   35   HD22  ASN   5          2HD2      ASN   5   9.792   4.488   5.563
   36    H    VAL   6           H        VAL   6   6.999   4.580   8.506
   37    HA   VAL   6           HA       VAL   6   5.209   5.057   6.230
   38    HB   VAL   6           HB       VAL   6   6.520   2.955   6.310
   39   HG11  VAL   6          1HG1      VAL   6   6.525   2.550   8.693
   40   HG12  VAL   6          2HG1      VAL   6   5.858   1.163   7.835
   41   HG13  VAL   6          3HG1      VAL   6   4.783   2.282   8.674
   42   HG21  VAL   6          3HG2      VAL   6   3.545   2.525   6.449
   43   HG22  VAL   6          1HG2      VAL   6   4.721   1.479   5.657
   44   HG23  VAL   6          2HG2      VAL   6   4.434   3.105   5.039
   45    H    VAL   7           H        VAL   7   3.003   5.284   6.420
   46    HA   VAL   7           HA       VAL   7   1.937   5.565   9.112
   47    HB   VAL   7           HB       VAL   7  -0.199   6.228   8.066
   48   HG11  VAL   7          1HG1      VAL   7   1.404   7.954   8.543
   49   HG12  VAL   7          2HG1      VAL   7   0.559   8.323   7.037
   50   HG13  VAL   7          3HG1      VAL   7   2.202   7.685   6.995
   51   HG21  VAL   7          3HG2      VAL   7  -0.527   6.451   5.737
   52   HG22  VAL   7          1HG2      VAL   7   0.095   4.820   5.992
   53   HG23  VAL   7          2HG2      VAL   7   1.167   6.094   5.391
   54    H    LYS   8           H        LYS   8   1.885   3.300   6.509
   55    HA   LYS   8           HA       LYS   8   0.984   1.223   8.181
   56    HB2  LYS   8           2HB      LYS   8  -1.201   2.298   7.773
   57    HB3  LYS   8           1HB      LYS   8  -0.991   2.053   6.048
   58    HG2  LYS   8           2HG      LYS   8  -2.450   0.363   7.032
   59    HG3  LYS   8           1HG      LYS   8  -0.973  -0.360   6.385
   60    HD2  LYS   8           2HD      LYS   8  -0.014  -0.339   8.668
   61    HD3  LYS   8           1HD      LYS   8  -1.551   0.277   9.276
   62    HE2  LYS   8           2HE      LYS   8  -2.683  -1.735   8.524
   63    HE3  LYS   8           1HE      LYS   8  -1.179  -2.344   7.832
   64    HZ1  LYS   8           3HZ      LYS   8  -1.650  -1.796  10.715
   65    HZ2  LYS   8           1HZ      LYS   8  -0.216  -2.401  10.043
   66    HZ3  LYS   8           2HZ      LYS   8  -1.634  -3.332   9.997
   67    H    THR   9           H        THR   9   1.808  -0.548   7.511
   68    HA   THR   9           HA       THR   9   2.679  -0.802   4.728
   69    HB   THR   9           HB       THR   9   3.499  -2.178   7.269
   70    HG1  THR   9           1HG      THR   9   4.783  -0.506   7.039
   71   HG21  THR   9          3HG2      THR   9   4.980  -3.629   5.977
   72   HG22  THR   9          1HG2      THR   9   4.307  -2.989   4.478
   73   HG23  THR   9          2HG2      THR   9   3.292  -3.932   5.568
   74    H    TYR  10           H        TYR  10   1.981  -2.469   3.462
   75    HA   TYR  10           HA       TYR  10  -0.181  -4.107   4.558
   76    HB2  TYR  10           2HB      TYR  10  -0.122  -2.496   2.055
   77    HB3  TYR  10           1HB      TYR  10  -1.049  -4.000   2.091
   78    HD1  TYR  10           2HD      TYR  10  -2.710  -4.289   4.038
   79    HD2  TYR  10           1HD      TYR  10  -1.010  -0.574   2.895
   80    HE1  TYR  10           2HE      TYR  10  -4.575  -3.102   5.127
   81    HE2  TYR  10           1HE      TYR  10  -2.858   0.624   3.959
   82    HH   TYR  10           HH       TYR  10  -5.192   0.196   4.590
   83    H    ASP  11           H        ASP  11  -0.231  -6.089   4.196
   84    HA   ASP  11           HA       ASP  11   2.014  -7.277   2.752
   85    HB2  ASP  11           2HB      ASP  11   0.262  -8.174   4.991
   86    HB3  ASP  11           1HB      ASP  11   0.885  -9.410   3.904
   87    H    LEU  12           H        LEU  12   1.708  -8.032   0.867
   88    HA   LEU  12           HA       LEU  12  -0.965  -8.241  -0.251
   89    HB2  LEU  12           2HB      LEU  12   1.704  -8.904  -1.519
   90    HB3  LEU  12           1HB      LEU  12   0.161  -8.850  -2.352
   91    HG   LEU  12           HG       LEU  12   1.749  -6.548  -1.241
   92   HD11  LEU  12          1HD1      LEU  12   2.294  -7.344  -3.496
   93   HD12  LEU  12          2HD1      LEU  12   1.613  -5.720  -3.513
   94   HD13  LEU  12          3HD1      LEU  12   0.617  -7.099  -3.978
   95   HD21  LEU  12          3HD2      LEU  12  -0.560  -6.204  -0.563
   96   HD22  LEU  12          1HD2      LEU  12  -1.104  -6.496  -2.215
   97   HD23  LEU  12          2HD2      LEU  12  -0.112  -5.084  -1.851
   98    H    GLN  13           H        GLN  13  -1.886 -10.226  -0.963
   99    HA   GLN  13           HA       GLN  13  -1.458 -12.276   0.917
  100    HB2  GLN  13           2HB      GLN  13  -3.483 -11.567  -0.777
  101    HB3  GLN  13           1HB      GLN  13  -2.916 -13.080  -1.479
  102    HG2  GLN  13           2HG      GLN  13  -3.167 -14.191   0.640
  103    HG3  GLN  13           1HG      GLN  13  -3.676 -12.676   1.392
  104   HE21  GLN  13          1HE2      GLN  13  -5.725 -11.845   0.908
  105   HE22  GLN  13          2HE2      GLN  13  -6.958 -12.818   0.186
  106    H    ASP  14           H        ASP  14   0.317 -11.558  -1.709
  107    HA   ASP  14           HA       ASP  14   1.071 -14.307  -2.363
  108    HB2  ASP  14           2HB      ASP  14   0.603 -12.765  -4.234
  109    HB3  ASP  14           1HB      ASP  14   1.887 -11.701  -3.669
  110    H    GLY  15           H        GLY  15   2.034 -11.615  -0.531
  111    HA2  GLY  15           2HA      GLY  15   3.715 -12.275   1.206
  112    HA3  GLY  15           1HA      GLY  15   4.724 -12.782  -0.134
  113    H    SER  16           H        SER  16   3.855 -10.420  -1.730
  114    HA   SER  16           HA       SER  16   6.044  -8.784  -1.040
  115    HB2  SER  16           2HB      SER  16   3.752  -8.061  -2.866
  116    HB3  SER  16           1HB      SER  16   5.388  -7.411  -2.897
  117    HG   SER  16           HG       SER  16   4.515  -9.463  -4.256
  118    H    LYS  17           H        LYS  17   5.956  -6.480  -0.520
  119    HA   LYS  17           HA       LYS  17   3.765  -5.929   1.371
  120    HB2  LYS  17           2HB      LYS  17   6.669  -5.216   1.789
  121    HB3  LYS  17           1HB      LYS  17   5.360  -5.108   2.961
  122    HG2  LYS  17           2HG      LYS  17   5.145  -7.584   2.847
  123    HG3  LYS  17           1HG      LYS  17   6.584  -7.605   1.819
  124    HD2  LYS  17           2HD      LYS  17   7.871  -6.549   3.614
  125    HD3  LYS  17           1HD      LYS  17   6.432  -6.551   4.641
  126    HE2  LYS  17           2HE      LYS  17   7.832  -8.971   3.509
  127    HE3  LYS  17           1HE      LYS  17   7.861  -8.438   5.191
  128    HZ1  LYS  17           3HZ      LYS  17   6.269 -10.271   4.693
  129    HZ2  LYS  17           1HZ      LYS  17   5.367  -9.183   3.759
  130    HZ3  LYS  17           2HZ      LYS  17   5.560  -8.914   5.419
  131    H    VAL  18           H        VAL  18   2.827  -4.011   1.177
  132    HA   VAL  18           HA       VAL  18   4.145  -1.955  -0.491
  133    HB   VAL  18           HB       VAL  18   1.211  -2.404   0.151
  134   HG11  VAL  18          1HG1      VAL  18   1.663  -0.023  -0.044
  135   HG12  VAL  18          2HG1      VAL  18   0.776  -0.583  -1.464
  136   HG13  VAL  18          3HG1      VAL  18   2.511  -0.283  -1.570
  137   HG21  VAL  18          3HG2      VAL  18   2.093  -4.015  -1.448
  138   HG22  VAL  18          1HG2      VAL  18   2.734  -2.705  -2.441
  139   HG23  VAL  18          2HG2      VAL  18   0.992  -2.892  -2.245
  140    H    HIS  19           H        HIS  19   4.320   0.131   0.355
  141    HA   HIS  19           HA       HIS  19   3.299   0.483   3.093
  142    HB2  HIS  19           2HB      HIS  19   5.894   1.708   2.219
  143    HB3  HIS  19           1HB      HIS  19   5.279   1.482   3.844
  144    HD1  HIS  19           1HD      HIS  19   4.723  -1.604   3.654
  145    HD2  HIS  19           2HD      HIS  19   8.169   0.342   2.450
  146    HE1  HIS  19           1HE      HIS  19   6.514  -3.371   3.636
  147    HE2  HIS  19           2HE      HIS  19   8.565  -2.217   2.740
  148    H    VAL  20           H        VAL  20   2.111   2.238   3.346
  149    HA   VAL  20           HA       VAL  20   2.416   4.406   1.387
  150    HB   VAL  20           HB       VAL  20   0.363   4.229   3.606
  151   HG11  VAL  20          1HG1      VAL  20   0.457   5.957   1.121
  152   HG12  VAL  20          2HG1      VAL  20   0.866   6.497   2.748
  153   HG13  VAL  20          3HG1      VAL  20  -0.782   5.991   2.378
  154   HG21  VAL  20          3HG2      VAL  20   0.042   3.514   0.689
  155   HG22  VAL  20          1HG2      VAL  20  -1.244   3.546   1.897
  156   HG23  VAL  20          2HG2      VAL  20   0.065   2.371   2.033
  157    H    PHE  21           H        PHE  21   3.776   5.948   1.912
  158    HA   PHE  21           HA       PHE  21   4.934   5.849   4.569
  159    HB2  PHE  21           2HB      PHE  21   5.751   7.264   2.036
  160    HB3  PHE  21           1HB      PHE  21   6.609   7.449   3.561
  161    HD1  PHE  21           2HD      PHE  21   7.919   5.639   4.489
  162    HD2  PHE  21           1HD      PHE  21   5.871   5.158   0.770
  163    HE1  PHE  21           2HE      PHE  21   9.255   3.637   4.006
  164    HE2  PHE  21           1HE      PHE  21   7.217   3.161   0.301
  165    HZ   PHE  21           HZ       PHE  21   8.906   2.396   1.912
  166    H    LYS  22           H        LYS  22   5.269   7.720   5.842
  167    HA   LYS  22           HA       LYS  22   2.881   9.123   6.280
  168    HB2  LYS  22           2HB      LYS  22   5.683   9.669   7.288
  169    HB3  LYS  22           1HB      LYS  22   4.224  10.403   7.948
  170    HG2  LYS  22           2HG      LYS  22   3.420   8.176   8.581
  171    HG3  LYS  22           1HG      LYS  22   4.906   7.471   7.942
  172    HD2  LYS  22           2HD      LYS  22   6.168   8.929   9.547
  173    HD3  LYS  22           1HD      LYS  22   4.615   9.356  10.274
  174    HE2  LYS  22           2HE      LYS  22   4.217   6.889  10.590
  175    HE3  LYS  22           1HE      LYS  22   5.895   6.641  10.097
  176    HZ1  LYS  22           3HZ      LYS  22   6.575   8.079  11.958
  177    HZ2  LYS  22           1HZ      LYS  22   5.748   6.689  12.477
  178    HZ3  LYS  22           2HZ      LYS  22   4.955   8.186  12.457
  179    H    ASP  23           H        ASP  23   5.375   9.744   4.090
  180    HA   ASP  23           HA       ASP  23   5.024  12.616   4.051
  181    HB2  ASP  23           2HB      ASP  23   7.296  11.530   3.826
  182    HB3  ASP  23           1HB      ASP  23   6.770  10.911   2.265
  183    H    GLY  24           H        GLY  24   3.552   9.925   2.832
  184    HA2  GLY  24           2HA      GLY  24   1.589  10.178   1.590
  185    HA3  GLY  24           1HA      GLY  24   2.295  11.564   0.807
  186    H    LYS  25           H        LYS  25   4.795   9.530   0.474
  187    HA   LYS  25           HA       LYS  25   3.778   8.506  -2.039
  188    HB2  LYS  25           2HB      LYS  25   6.556   8.606  -0.867
  189    HB3  LYS  25           1HB      LYS  25   6.177   7.821  -2.394
  190    HG2  LYS  25           2HG      LYS  25   6.671   9.795  -3.290
  191    HG3  LYS  25           1HG      LYS  25   5.061  10.267  -2.765
  192    HD2  LYS  25           2HD      LYS  25   6.661  11.948  -2.095
  193    HD3  LYS  25           1HD      LYS  25   6.037  11.121  -0.664
  194    HE2  LYS  25           2HE      LYS  25   8.031   9.808  -0.474
  195    HE3  LYS  25           1HE      LYS  25   8.623  10.394  -2.031
  196    HZ1  LYS  25           3HZ      LYS  25   8.146  12.137   0.326
  197    HZ2  LYS  25           1HZ      LYS  25   8.899  12.569  -1.128
  198    HZ3  LYS  25           2HZ      LYS  25   9.654  11.481  -0.072
  199    H    MET  26           H        MET  26   4.957   6.243  -2.537
  200    HA   MET  26           HA       MET  26   4.362   4.418  -0.347
  201    HB2  MET  26           2HB      MET  26   3.108   4.296  -3.095
  202    HB3  MET  26           1HB      MET  26   3.070   2.974  -1.943
  203    HG2  MET  26           2HG      MET  26   0.997   4.007  -1.737
  204    HG3  MET  26           1HG      MET  26   1.925   4.585  -0.357
  205    HE1  MET  26           3HE      MET  26   2.661   5.866  -3.946
  206    HE2  MET  26           1HE      MET  26   1.487   7.169  -4.146
  207    HE3  MET  26           2HE      MET  26   0.942   5.494  -4.080
  208    H    GLY  27           H        GLY  27   5.392   2.459  -0.472
  209    HA2  GLY  27           2HA      GLY  27   7.226   2.059  -2.736
  210    HA3  GLY  27           1HA      GLY  27   7.839   2.006  -1.089
  211    H    MET  28           H        MET  28   7.720  -0.086  -3.187
  212    HA   MET  28           HA       MET  28   6.065  -2.038  -1.742
  213    HB2  MET  28           2HB      MET  28   5.107  -1.582  -3.928
  214    HB3  MET  28           1HB      MET  28   6.658  -1.869  -4.702
  215    HG2  MET  28           2HG      MET  28   6.569  -4.208  -4.063
  216    HG3  MET  28           1HG      MET  28   5.044  -3.937  -3.223
  217    HE1  MET  28           3HE      MET  28   5.649  -6.154  -5.544
  218    HE2  MET  28           1HE      MET  28   4.119  -6.085  -6.417
  219    HE3  MET  28           2HE      MET  28   4.130  -6.045  -4.654
  220    H    GLU  29           H        GLU  29   6.932  -3.962  -1.253
  221    HA   GLU  29           HA       GLU  29   9.638  -4.597  -2.229
  222    HB2  GLU  29           2HB      GLU  29   8.520  -4.813   0.568
  223    HB3  GLU  29           1HB      GLU  29   9.857  -5.828   0.038
  224    HG2  GLU  29           2HG      GLU  29  11.251  -3.969  -0.325
  225    HG3  GLU  29           1HG      GLU  29   9.912  -2.836  -0.145
  226    H    ASN  30           H        ASN  30   9.971  -6.863  -2.589
  227    HA   ASN  30           HA       ASN  30   7.474  -8.248  -3.105
  228    HB2  ASN  30           2HB      ASN  30   8.744  -9.837  -4.359
  229    HB3  ASN  30           1HB      ASN  30   9.379  -8.245  -4.754
  230   HD21  ASN  30          1HD2      ASN  30  10.671 -10.760  -5.083
  231   HD22  ASN  30          2HD2      ASN  30  12.109 -10.726  -4.115
  232    H    LYS  31           H        LYS  31   7.227 -10.522  -2.470
  233    HA   LYS  31           HA       LYS  31   7.293 -11.154   0.152
  234    HB2  LYS  31           2HB      LYS  31   7.235 -13.562  -0.634
  235    HB3  LYS  31           1HB      LYS  31   6.023 -12.472  -1.293
  236    HG2  LYS  31           2HG      LYS  31   7.625 -12.179  -3.264
  237    HG3  LYS  31           1HG      LYS  31   8.440 -13.615  -2.640
  238    HD2  LYS  31           2HD      LYS  31   6.495 -14.941  -2.902
  239    HD3  LYS  31           1HD      LYS  31   5.487 -13.523  -3.201
  240    HE2  LYS  31           2HE      LYS  31   6.909 -13.110  -5.249
  241    HE3  LYS  31           1HE      LYS  31   7.590 -14.716  -4.988
  242    HZ1  LYS  31           3HZ      LYS  31   4.698 -14.147  -5.327
  243    HZ2  LYS  31           1HZ      LYS  31   5.423 -15.677  -5.220
  244    HZ3  LYS  31           2HZ      LYS  31   5.719 -14.692  -6.569
  245    H    PHE  32           H        PHE  32  10.150 -10.591  -1.353
  246    HA   PHE  32           HA       PHE  32  11.580 -12.501   0.363
  247    HB2  PHE  32           2HB      PHE  32  12.447 -11.392  -2.313
  248    HB3  PHE  32           1HB      PHE  32  13.468 -12.363  -1.257
  249    HD1  PHE  32           1HD      PHE  32  12.815 -14.719  -0.769
  250    HD2  PHE  32           2HD      PHE  32  10.875 -12.390  -3.751
  251    HE1  PHE  32           1HE      PHE  32  11.939 -16.773  -1.798
  252    HE2  PHE  32           2HE      PHE  32   9.990 -14.438  -4.786
  253    HZ   PHE  32           HZ       PHE  32  10.492 -16.627  -3.803
  254    H    GLY  33           H        GLY  33  10.704  -9.354   0.136
  255    HA2  GLY  33           2HA      GLY  33  11.374  -7.696   1.614
  256    HA3  GLY  33           1HA      GLY  33  12.804  -8.640   1.986
  257    H    LYS  34           H        LYS  34  12.128  -8.113  -1.331
  258    HA   LYS  34           HA       LYS  34  14.382  -6.247  -1.430
  259    HB2  LYS  34           2HB      LYS  34  13.129  -7.940  -3.580
  260    HB3  LYS  34           1HB      LYS  34  14.416  -6.778  -3.871
  261    HG2  LYS  34           2HG      LYS  34  14.692  -8.963  -1.863
  262    HG3  LYS  34           1HG      LYS  34  15.074  -9.219  -3.563
  263    HD2  LYS  34           2HD      LYS  34  16.305  -7.114  -1.777
  264    HD3  LYS  34           1HD      LYS  34  17.057  -8.652  -2.201
  265    HE2  LYS  34           2HE      LYS  34  16.221  -6.567  -4.209
  266    HE3  LYS  34           1HE      LYS  34  17.848  -6.698  -3.542
  267    HZ1  LYS  34           3HZ      LYS  34  17.568  -7.800  -5.722
  268    HZ2  LYS  34           1HZ      LYS  34  16.467  -8.878  -5.021
  269    HZ3  LYS  34           2HZ      LYS  34  18.081  -8.865  -4.508
  270    H    SER  35           H        SER  35  14.259  -4.336  -2.148
  271    HA   SER  35           HA       SER  35  11.669  -3.106  -2.130
  272    HB2  SER  35           2HB      SER  35  13.149  -1.002  -2.398
  273    HB3  SER  35           1HB      SER  35  13.263  -1.936  -0.908
  274    HG   SER  35           HG       SER  35  14.997  -2.303  -3.134
  275    H    MET  36           H        MET  36  10.545  -2.285  -3.748
  276    HA   MET  36           HA       MET  36  11.769  -1.806  -6.350
  277    HB2  MET  36           2HB      MET  36   9.913  -3.105  -7.464
  278    HB3  MET  36           1HB      MET  36  11.101  -4.089  -6.622
  279    HG2  MET  36           2HG      MET  36   9.563  -4.270  -4.708
  280    HG3  MET  36           1HG      MET  36   8.366  -3.342  -5.610
  281    HE1  MET  36           3HE      MET  36   7.310  -5.702  -8.464
  282    HE2  MET  36           1HE      MET  36   8.416  -4.327  -8.497
  283    HE3  MET  36           2HE      MET  36   6.929  -4.239  -7.552
  284    H    ASN  37           H        ASN  37   9.642  -1.189  -7.842
  285    HA   ASN  37           HA       ASN  37   8.254   0.877  -6.282
  286    HB2  ASN  37           2HB      ASN  37   7.800   1.988  -8.438
  287    HB3  ASN  37           1HB      ASN  37   9.522   1.775  -8.162
  288   HD21  ASN  37          1HD2      ASN  37  10.688   0.385  -9.455
  289   HD22  ASN  37          2HD2      ASN  37  10.044  -0.273 -10.920
  290    H    MET  38           H        MET  38   6.015   1.204  -6.578
  291    HA   MET  38           HA       MET  38   4.610  -1.305  -6.944
  292    HB2  MET  38           2HB      MET  38   4.154   0.153  -4.992
  293    HB3  MET  38           1HB      MET  38   3.571   1.403  -6.083
  294    HG2  MET  38           2HG      MET  38   1.768  -0.049  -6.810
  295    HG3  MET  38           1HG      MET  38   2.365  -1.334  -5.762
  296    HE1  MET  38           3HE      MET  38  -0.032  -1.582  -4.670
  297    HE2  MET  38           1HE      MET  38  -0.653  -0.294  -5.706
  298    HE3  MET  38           2HE      MET  38  -0.933  -0.238  -3.966
  299    HA   PRO  39           HA       PRO  39   3.390  -0.387 -11.099
  300    HB2  PRO  39           2HB      PRO  39   1.342  -2.194 -11.265
  301    HB3  PRO  39           1HB      PRO  39   3.047  -2.618 -11.433
  302    HG2  PRO  39           2HG      PRO  39   1.251  -2.882  -9.062
  303    HG3  PRO  39           1HG      PRO  39   2.487  -4.000  -9.663
  304    HD2  PRO  39           2HD      PRO  39   2.919  -2.365  -7.558
  305    HD3  PRO  39           1HD      PRO  39   4.208  -2.826  -8.689
  306    H    GLU  40           H        GLU  40   2.302   1.377 -11.630
  307    HA   GLU  40           HA       GLU  40  -0.042   2.211 -10.166
  308    HB2  GLU  40           2HB      GLU  40   1.602   3.878 -10.918
  309    HB3  GLU  40           1HB      GLU  40   1.295   3.434 -12.594
  310    HG2  GLU  40           2HG      GLU  40  -1.035   4.179 -12.339
  311    HG3  GLU  40           1HG      GLU  40  -0.680   4.666 -10.683
  312    H    GLY  41           H        GLY  41  -2.091   1.874 -10.710
  313    HA2  GLY  41           2HA      GLY  41  -3.862   1.704 -12.328
  314    HA3  GLY  41           1HA      GLY  41  -2.703   1.031 -13.466
  315    H    LYS  42           H        LYS  42  -1.819  -0.532 -10.856
  316    HA   LYS  42           HA       LYS  42  -3.616  -2.783 -11.378
  317    HB2  LYS  42           2HB      LYS  42  -0.836  -2.550 -10.280
  318    HB3  LYS  42           1HB      LYS  42  -1.783  -4.006 -10.020
  319    HG2  LYS  42           2HG      LYS  42  -1.200  -2.856 -12.739
  320    HG3  LYS  42           1HG      LYS  42  -0.219  -4.102 -11.960
  321    HD2  LYS  42           2HD      LYS  42  -2.214  -5.544 -11.819
  322    HD3  LYS  42           1HD      LYS  42  -3.151  -4.306 -12.656
  323    HE2  LYS  42           2HE      LYS  42  -2.432  -6.071 -14.185
  324    HE3  LYS  42           1HE      LYS  42  -1.720  -4.517 -14.608
  325    HZ1  LYS  42           3HZ      LYS  42  -0.144  -6.394 -14.712
  326    HZ2  LYS  42           1HZ      LYS  42  -0.325  -6.622 -13.043
  327    HZ3  LYS  42           2HZ      LYS  42   0.349  -5.182 -13.636
  328    H    VAL  43           H        VAL  43  -5.178  -3.223  -9.980
  329    HA   VAL  43           HA       VAL  43  -4.834  -2.441  -7.185
  330    HB   VAL  43           HB       VAL  43  -7.024  -1.943  -8.218
  331   HG11  VAL  43          1HG1      VAL  43  -8.596  -3.732  -8.747
  332   HG12  VAL  43          2HG1      VAL  43  -7.342  -4.930  -8.432
  333   HG13  VAL  43          3HG1      VAL  43  -7.166  -3.803  -9.778
  334   HG21  VAL  43          3HG2      VAL  43  -7.150  -4.008  -6.019
  335   HG22  VAL  43          1HG2      VAL  43  -8.439  -2.880  -6.438
  336   HG23  VAL  43          2HG2      VAL  43  -6.907  -2.274  -5.812
  337    H    MET  44           H        MET  44  -4.332  -3.862  -5.630
  338    HA   MET  44           HA       MET  44  -4.145  -6.692  -6.426
  339    HB2  MET  44           2HB      MET  44  -2.091  -5.045  -4.948
  340    HB3  MET  44           1HB      MET  44  -2.050  -6.802  -5.035
  341    HG2  MET  44           2HG      MET  44  -1.854  -6.697  -7.455
  342    HG3  MET  44           1HG      MET  44  -1.950  -4.941  -7.401
  343    HE1  MET  44           3HE      MET  44  -0.172  -4.210  -4.878
  344    HE2  MET  44           1HE      MET  44  -0.079  -3.381  -6.431
  345    HE3  MET  44           2HE      MET  44   1.392  -3.962  -5.654
  346    H    GLU  45           H        GLU  45  -4.042  -8.196  -4.604
  347    HA   GLU  45           HA       GLU  45  -5.888  -7.323  -2.525
  348    HB2  GLU  45           2HB      GLU  45  -5.104  -9.955  -3.669
  349    HB3  GLU  45           1HB      GLU  45  -5.639  -9.918  -1.995
  350    HG2  GLU  45           2HG      GLU  45  -7.722  -8.857  -2.688
  351    HG3  GLU  45           1HG      GLU  45  -7.190  -8.931  -4.373
  352    H    THR  46           H        THR  46  -5.530  -7.478  -0.435
  353    HA   THR  46           HA       THR  46  -2.754  -7.891   0.445
  354    HB   THR  46           HB       THR  46  -3.396  -6.672   2.494
  355    HG1  THR  46           1HG      THR  46  -5.808  -5.990   1.152
  356   HG21  THR  46          3HG2      THR  46  -3.580  -4.447   1.493
  357   HG22  THR  46          1HG2      THR  46  -4.032  -5.172  -0.048
  358   HG23  THR  46          2HG2      THR  46  -2.419  -5.441   0.613
  359    H    ARG  47           H        ARG  47  -2.434  -9.053   2.471
  360    HA   ARG  47           HA       ARG  47  -3.950 -11.421   2.750
  361    HB2  ARG  47           2HB      ARG  47  -2.078 -10.051   4.677
  362    HB3  ARG  47           1HB      ARG  47  -2.700 -11.669   4.905
  363    HG2  ARG  47           2HG      ARG  47  -1.559 -12.397   2.882
  364    HG3  ARG  47           1HG      ARG  47  -0.940 -10.760   2.640
  365    HD2  ARG  47           2HD      ARG  47   0.264 -10.874   4.738
  366    HD3  ARG  47           1HD      ARG  47  -0.423 -12.462   5.074
  367    HE   ARG  47           HE       ARG  47   0.848 -12.834   2.715
  368   HH11  ARG  47          1HH1      ARG  47   1.852 -11.460   5.773
  369   HH12  ARG  47          2HH1      ARG  47   3.494 -12.008   5.627
  370   HH21  ARG  47          1HH2      ARG  47   3.006 -13.555   2.517
  371   HH22  ARG  47          2HH2      ARG  47   4.152 -13.190   3.763
  372    H    ASP  48           H        ASP  48  -4.463  -8.239   3.763
  373    HA   ASP  48           HA       ASP  48  -5.992  -8.776   6.142
  374    HB2  ASP  48           2HB      ASP  48  -4.722  -6.704   5.956
  375    HB3  ASP  48           1HB      ASP  48  -5.596  -6.267   4.493
  376    H    GLY  49           H        GLY  49  -6.539  -8.565   2.767
  377    HA2  GLY  49           2HA      GLY  49  -8.539  -9.382   1.748
  378    HA3  GLY  49           1HA      GLY  49  -9.421  -8.954   3.208
  379    H    THR  50           H        THR  50  -7.276  -6.544   2.391
  380    HA   THR  50           HA       THR  50  -9.473  -4.902   1.379
  381    HB   THR  50           HB       THR  50  -6.798  -4.123   2.587
  382    HG1  THR  50           1HG      THR  50  -8.007  -4.639   4.306
  383   HG21  THR  50          3HG2      THR  50  -9.108  -2.361   1.762
  384   HG22  THR  50          1HG2      THR  50  -7.545  -2.454   0.953
  385   HG23  THR  50          2HG2      THR  50  -7.649  -1.831   2.601
  386    H    LYS  51           H        LYS  51  -8.951  -3.424  -0.415
  387    HA   LYS  51           HA       LYS  51  -7.018  -4.650  -2.258
  388    HB2  LYS  51           2HB      LYS  51  -9.455  -3.087  -3.100
  389    HB3  LYS  51           1HB      LYS  51  -8.447  -4.139  -4.082
  390    HG2  LYS  51           2HG      LYS  51 -10.290  -5.026  -1.872
  391    HG3  LYS  51           1HG      LYS  51 -10.595  -5.172  -3.603
  392    HD2  LYS  51           2HD      LYS  51  -8.629  -6.636  -3.799
  393    HD3  LYS  51           1HD      LYS  51  -8.376  -6.510  -2.057
  394    HE2  LYS  51           2HE      LYS  51 -10.757  -7.718  -3.466
  395    HE3  LYS  51           1HE      LYS  51  -9.524  -8.579  -2.548
  396    HZ1  LYS  51           3HZ      LYS  51 -11.401  -8.372  -1.153
  397    HZ2  LYS  51           1HZ      LYS  51 -11.595  -6.724  -1.509
  398    HZ3  LYS  51           2HZ      LYS  51 -10.280  -7.241  -0.577
  399    H    ILE  52           H        ILE  52  -5.575  -3.317  -3.239
  400    HA   ILE  52           HA       ILE  52  -5.808  -0.430  -2.774
  401    HB   ILE  52           HB       ILE  52  -3.424  -0.283  -2.172
  402   HG12  ILE  52          2HG1      ILE  52  -3.524  -3.313  -2.085
  403   HG13  ILE  52          1HG1      ILE  52  -2.698  -2.361  -3.314
  404   HG21  ILE  52          1HG2      ILE  52  -4.994  -2.142  -0.384
  405   HG22  ILE  52          2HG2      ILE  52  -5.073  -0.383  -0.385
  406   HG23  ILE  52          3HG2      ILE  52  -3.589  -1.195   0.099
  407   HD11  ILE  52          3HD1      ILE  52  -1.229  -1.440  -1.570
  408   HD12  ILE  52          1HD1      ILE  52  -1.116  -3.194  -1.712
  409   HD13  ILE  52          2HD1      ILE  52  -2.027  -2.478  -0.384
  410    H    ILE  53           H        ILE  53  -4.585   0.861  -4.215
  411    HA   ILE  53           HA       ILE  53  -3.105  -0.377  -6.338
  412    HB   ILE  53           HB       ILE  53  -5.006  -0.656  -7.605
  413   HG12  ILE  53          2HG1      ILE  53  -4.034   2.145  -8.190
  414   HG13  ILE  53          1HG1      ILE  53  -3.523   0.647  -8.954
  415   HG21  ILE  53          1HG2      ILE  53  -6.589   0.308  -6.018
  416   HG22  ILE  53          2HG2      ILE  53  -6.934   0.835  -7.668
  417   HG23  ILE  53          3HG2      ILE  53  -6.135   1.930  -6.543
  418   HD11  ILE  53          3HD1      ILE  53  -5.701   0.433 -10.012
  419   HD12  ILE  53          1HD1      ILE  53  -4.943   1.977 -10.409
  420   HD13  ILE  53          2HD1      ILE  53  -6.240   1.912  -9.215
  421    H    MET  54           H        MET  54  -1.796   1.054  -7.450
  422    HA   MET  54           HA       MET  54  -1.393   3.637  -6.086
  423    HB2  MET  54           2HB      MET  54   0.430   1.768  -6.551
  424    HB3  MET  54           1HB      MET  54   0.441   2.456  -8.165
  425    HG2  MET  54           2HG      MET  54   0.885   4.116  -5.710
  426    HG3  MET  54           1HG      MET  54   2.194   3.265  -6.524
  427    HE1  MET  54           3HE      MET  54   3.650   5.224  -7.017
  428    HE2  MET  54           1HE      MET  54   2.580   6.282  -6.096
  429    HE3  MET  54           2HE      MET  54   3.119   6.760  -7.706
  430    H    LYS  55           H        LYS  55  -2.059   5.436  -7.113
  431    HA   LYS  55           HA       LYS  55  -2.484   5.355  -9.999
  432    HB2  LYS  55           2HB      LYS  55  -4.575   4.518  -8.927
  433    HB3  LYS  55           1HB      LYS  55  -4.713   6.050  -8.076
  434    HG2  LYS  55           2HG      LYS  55  -6.164   6.057  -9.991
  435    HG3  LYS  55           1HG      LYS  55  -4.851   7.208 -10.252
  436    HD2  LYS  55           2HD      LYS  55  -3.669   5.497 -11.586
  437    HD3  LYS  55           1HD      LYS  55  -5.047   4.418 -11.380
  438    HE2  LYS  55           2HE      LYS  55  -5.106   7.119 -12.717
  439    HE3  LYS  55           1HE      LYS  55  -5.101   5.561 -13.543
  440    HZ1  LYS  55           3HZ      LYS  55  -7.330   6.462 -13.392
  441    HZ2  LYS  55           1HZ      LYS  55  -7.222   6.542 -11.705
  442    HZ3  LYS  55           2HZ      LYS  55  -7.212   5.037 -12.480
  443    H    GLY  56           H        GLY  56  -1.720   7.149 -10.831
  444    HA2  GLY  56           2HA      GLY  56  -1.080   9.333 -11.090
  445    HA3  GLY  56           1HA      GLY  56  -2.473   9.730 -10.095
  446    H    ASN  57           H        ASN  57   0.486   7.956  -9.287
  447    HA   ASN  57           HA       ASN  57   2.151   8.319  -7.787
  448    HB2  ASN  57           2HB      ASN  57   1.269  11.191  -8.073
  449    HB3  ASN  57           1HB      ASN  57   2.605  10.709  -7.035
  450   HD21  ASN  57          1HD2      ASN  57   1.803   9.272 -10.132
  451   HD22  ASN  57          2HD2      ASN  57   3.220   9.810 -10.964
  452    H    GLU  58           H        GLU  58  -0.873   8.182  -7.088
  453    HA   GLU  58           HA       GLU  58  -0.520   8.623  -4.182
  454    HB2  GLU  58           2HB      GLU  58  -3.058   8.699  -5.820
  455    HB3  GLU  58           1HB      GLU  58  -2.997   8.792  -4.068
  456    HG2  GLU  58           2HG      GLU  58  -1.696  10.881  -4.251
  457    HG3  GLU  58           1HG      GLU  58  -1.863  10.801  -6.004
  458    H    ILE  59           H        ILE  59  -2.540   7.218  -3.169
  459    HA   ILE  59           HA       ILE  59  -2.526   4.623  -4.458
  460    HB   ILE  59           HB       ILE  59  -0.718   4.907  -2.507
  461   HG12  ILE  59          2HG1      ILE  59  -2.463   2.490  -2.991
  462   HG13  ILE  59          1HG1      ILE  59  -1.034   2.953  -3.910
  463   HG21  ILE  59          1HG2      ILE  59  -1.527   4.004  -0.402
  464   HG22  ILE  59          2HG2      ILE  59  -3.173   3.959  -1.031
  465   HG23  ILE  59          3HG2      ILE  59  -2.365   5.510  -0.783
  466   HD11  ILE  59          3HD1      ILE  59  -1.101   2.092  -1.028
  467   HD12  ILE  59          1HD1      ILE  59   0.339   2.609  -1.908
  468   HD13  ILE  59          2HD1      ILE  59  -0.519   1.150  -2.400
  469    H    PHE  60           H        PHE  60  -4.440   3.839  -4.547
  470    HA   PHE  60           HA       PHE  60  -6.596   4.805  -2.869
  471    HB2  PHE  60           2HB      PHE  60  -7.529   4.390  -4.898
  472    HB3  PHE  60           1HB      PHE  60  -6.263   3.278  -5.363
  473    HD1  PHE  60           1HD      PHE  60  -6.468   0.934  -3.942
  474    HD2  PHE  60           2HD      PHE  60  -9.653   3.556  -4.964
  475    HE1  PHE  60           1HE      PHE  60  -8.013  -0.953  -3.895
  476    HE2  PHE  60           2HE      PHE  60 -11.225   1.658  -4.892
  477    HZ   PHE  60           HZ       PHE  60 -10.391  -0.610  -4.360
  478    H    ARG  61           H        ARG  61  -6.818   3.994  -0.881
  479    HA   ARG  61           HA       ARG  61  -6.342   1.104  -0.597
  480    HB2  ARG  61           2HB      ARG  61  -5.221   2.648   1.123
  481    HB3  ARG  61           1HB      ARG  61  -6.846   3.051   1.667
  482    HG2  ARG  61           2HG      ARG  61  -7.234   0.635   2.106
  483    HG3  ARG  61           1HG      ARG  61  -5.535   0.346   1.733
  484    HD2  ARG  61           2HD      ARG  61  -5.591   0.516   4.058
  485    HD3  ARG  61           1HD      ARG  61  -5.033   2.097   3.521
  486    HE   ARG  61           HE       ARG  61  -7.722   2.413   3.746
  487   HH11  ARG  61          1HH1      ARG  61  -5.272   1.163   5.886
  488   HH12  ARG  61          2HH1      ARG  61  -6.048   1.731   7.339
  489   HH21  ARG  61          1HH2      ARG  61  -8.798   3.123   5.667
  490   HH22  ARG  61          2HH2      ARG  61  -8.069   2.815   7.212
  491    H    LEU  62           H        LEU  62  -8.122   0.295  -1.303
  492    HA   LEU  62           HA       LEU  62 -10.363   0.036  -1.897
  493    HB2  LEU  62           2HB      LEU  62 -10.993  -0.808   0.040
  494    HB3  LEU  62           1HB      LEU  62  -9.913   0.291   0.886
  495    HG   LEU  62           HG       LEU  62 -11.823   1.999   0.664
  496   HD11  LEU  62          1HD1      LEU  62 -14.053   0.976   0.721
  497   HD12  LEU  62          2HD1      LEU  62 -13.344  -0.593   0.335
  498   HD13  LEU  62          3HD1      LEU  62 -13.264   0.726  -0.835
  499   HD21  LEU  62          3HD2      LEU  62 -12.661   1.157   2.781
  500   HD22  LEU  62          1HD2      LEU  62 -10.904   1.039   2.651
  501   HD23  LEU  62          2HD2      LEU  62 -11.900  -0.402   2.443
  502    H    ASP  63           H        ASP  63  -9.297   3.168  -1.177
  503    HA   ASP  63           HA       ASP  63  -9.983   5.276  -1.467
  504    HB2  ASP  63           2HB      ASP  63 -10.595   4.762  -3.705
  505    HB3  ASP  63           1HB      ASP  63 -12.069   3.965  -3.195
  506    H    GLU  64           H        GLU  64 -11.368   6.811  -0.619
  507    HA   GLU  64           HA       GLU  64 -12.793   7.748   0.877
  508    HB2  GLU  64           2HB      GLU  64 -14.582   6.271   0.040
  509    HB3  GLU  64           1HB      GLU  64 -14.044   5.003   1.132
  510    HG2  GLU  64           2HG      GLU  64 -15.982   6.099   2.039
  511    HG3  GLU  64           1HG      GLU  64 -14.577   6.442   3.045
  512    H    ALA  65           H        ALA  65 -11.634   4.537   1.782
  513    HA   ALA  65           HA       ALA  65 -11.469   4.672   4.511
  514    HB1  ALA  65           1HB      ALA  65 -10.685   2.925   2.669
  515    HB2  ALA  65           2HB      ALA  65 -10.160   2.838   4.357
  516    HB3  ALA  65           3HB      ALA  65  -9.105   3.566   3.139
  517    H    LEU  66           H        LEU  66  -8.938   5.579   2.269
  518    HA   LEU  66           HA       LEU  66  -7.383   6.812   4.385
  519    HB2  LEU  66           2HB      LEU  66  -5.524   6.728   2.868
  520    HB3  LEU  66           1HB      LEU  66  -6.288   5.163   2.953
  521    HG   LEU  66           HG       LEU  66  -5.607   5.515   0.709
  522   HD11  LEU  66          1HD1      LEU  66  -7.589   5.273  -0.565
  523   HD12  LEU  66          2HD1      LEU  66  -8.555   6.099   0.650
  524   HD13  LEU  66          3HD1      LEU  66  -7.876   4.498   0.997
  525   HD21  LEU  66          3HD2      LEU  66  -5.254   7.838   0.619
  526   HD22  LEU  66          1HD2      LEU  66  -6.956   8.177   0.938
  527   HD23  LEU  66          2HD2      LEU  66  -6.470   7.477  -0.610
  528    H    ARG  67           H        ARG  67  -9.672   7.727   2.297
  529    HA   ARG  67           HA       ARG  67  -8.413  10.215   1.455
  530    HB2  ARG  67           2HB      ARG  67  -9.423   8.477  -0.155
  531    HB3  ARG  67           1HB      ARG  67 -10.981   8.992   0.450
  532    HG2  ARG  67           2HG      ARG  67 -10.848  11.036  -0.586
  533    HG3  ARG  67           1HG      ARG  67  -9.084  10.995  -0.688
  534    HD2  ARG  67           2HD      ARG  67  -9.142   9.392  -2.423
  535    HD3  ARG  67           1HD      ARG  67 -10.849   9.052  -2.154
  536    HE   ARG  67           HE       ARG  67 -10.037  11.719  -3.083
  537   HH11  ARG  67          1HH1      ARG  67 -11.569   8.617  -3.688
  538   HH12  ARG  67          2HH1      ARG  67 -12.472   9.186  -5.066
  539   HH21  ARG  67          1HH2      ARG  67 -11.204  12.465  -4.915
  540   HH22  ARG  67          2HH2      ARG  67 -12.255  11.369  -5.767
  541    H    LYS  68           H        LYS  68 -10.702  11.649   1.020
  542    HA   LYS  68           HA       LYS  68 -11.751  12.023   3.730
  543    HB2  LYS  68           2HB      LYS  68 -12.190  14.365   3.058
  544    HB3  LYS  68           1HB      LYS  68 -10.486  13.948   2.974
  545    HG2  LYS  68           2HG      LYS  68 -10.693  13.653   0.546
  546    HG3  LYS  68           1HG      LYS  68 -12.389  14.126   0.649
  547    HD2  LYS  68           2HD      LYS  68 -10.038  15.836   1.456
  548    HD3  LYS  68           1HD      LYS  68 -10.948  15.993  -0.048
  549    HE2  LYS  68           2HE      LYS  68 -12.970  16.504   1.228
  550    HE3  LYS  68           1HE      LYS  68 -12.071  16.327   2.736
  551    HZ1  LYS  68           3HZ      LYS  68 -10.712  18.198   2.145
  552    HZ2  LYS  68           1HZ      LYS  68 -12.342  18.652   2.038
  553    HZ3  LYS  68           2HZ      LYS  68 -11.456  18.329   0.628
  554    H    GLY  69           H        GLY  69 -13.988  13.096   3.703
  555    HA2  GLY  69           2HA      GLY  69 -15.808  11.253   2.676
  556    HA3  GLY  69           1HA      GLY  69 -16.221  12.855   3.271
  557    H    HIS  70           H        HIS  70 -16.521  10.903   0.705
  558    HA   HIS  70           HA       HIS  70 -15.953  12.653  -1.463
  559    HB2  HIS  70           2HB      HIS  70 -17.905  10.337  -1.379
  560    HB3  HIS  70           1HB      HIS  70 -17.271  11.105  -2.828
  561    HD1  HIS  70           1HD      HIS  70 -16.973   8.056  -2.056
  562    HD2  HIS  70           2HD      HIS  70 -14.043  10.973  -1.604
  563    HE1  HIS  70           1HE      HIS  70 -14.793   6.826  -2.046
  564    HE2  HIS  70           2HE      HIS  70 -13.040   8.623  -2.017
  565    H    SER  71           H        SER  71 -17.091  14.307  -2.245
  566    HA   SER  71           HA       SER  71 -19.209  15.451  -0.826
  567    HB2  SER  71           2HB      SER  71 -18.379  15.936  -3.697
  568    HB3  SER  71           1HB      SER  71 -19.376  17.014  -2.717
  569    HG   SER  71           HG       SER  71 -17.454  16.866  -1.198
  570    H    GLU  72           H        GLU  72 -21.291  15.027  -0.756
  571    HA   GLU  72           HA       GLU  72 -22.441  12.938  -2.303
  572    HB2  GLU  72           2HB      GLU  72 -24.519  13.525  -1.055
  573    HB3  GLU  72           1HB      GLU  72 -23.124  13.237  -0.025
  574    HG2  GLU  72           2HG      GLU  72 -22.795  15.697   0.114
  575    HG3  GLU  72           1HG      GLU  72 -24.308  15.898  -0.770
  576    H    GLY  73           H        GLY  73 -22.435  16.420  -2.550
  577    HA2  GLY  73           2HA      GLY  73 -23.950  16.146  -5.059
  578    HA3  GLY  73           1HA      GLY  73 -24.445  17.354  -3.879
  579    H    GLY  74           H        GLY  74 -22.763  18.925  -3.229
  580    HA2  GLY  74           2HA      GLY  74 -20.464  19.322  -4.841
  581    HA3  GLY  74           1HA      GLY  74 -21.789  20.352  -5.372
  Start of MODEL    3
    1    H1   VAL   1           1HT      VAL   1  13.223  -1.712   5.021
    2    H2   VAL   1           2HT      VAL   1  14.389  -0.490   5.086
    3    H3   VAL   1           3HT      VAL   1  13.586  -0.814   3.631
    4    HA   VAL   1           HA       VAL   1  12.714   1.174   4.621
    5    HB   VAL   1           HB       VAL   1  10.891  -1.233   4.632
    6   HG11  VAL   1          2HG1      VAL   1   8.985   0.315   4.631
    7   HG12  VAL   1          3HG1      VAL   1  10.086   1.660   4.924
    8   HG13  VAL   1          1HG1      VAL   1   9.892   0.396   6.141
    9   HG21  VAL   1          1HG2      VAL   1  11.811  -0.599   2.477
   10   HG22  VAL   1          2HG2      VAL   1  11.257   1.062   2.709
   11   HG23  VAL   1          3HG2      VAL   1  10.083  -0.244   2.533
   12    H    ASP   2           H        ASP   2  12.809   2.275   6.436
   13    HA   ASP   2           HA       ASP   2  12.597   0.934   9.007
   14    HB2  ASP   2           2HB      ASP   2  14.247   2.814   8.509
   15    HB3  ASP   2           1HB      ASP   2  12.863   3.904   8.513
   16    H    MET   3           H        MET   3  10.972   1.587  10.597
   17    HA   MET   3           HA       MET   3   8.458   1.986   9.150
   18    HB2  MET   3           2HB      MET   3   8.832   0.785  11.884
   19    HB3  MET   3           1HB      MET   3   7.404   0.716  10.869
   20    HG2  MET   3           2HG      MET   3   9.210  -0.410   9.225
   21    HG3  MET   3           1HG      MET   3   9.864  -0.884  10.790
   22    HE1  MET   3           3HE      MET   3   6.170  -0.439   9.368
   23    HE2  MET   3           1HE      MET   3   5.826  -2.127   8.994
   24    HE3  MET   3           2HE      MET   3   7.132  -1.286   8.153
   25    H    SER   4           H        SER   4  10.434   3.922  10.748
   26    HA   SER   4           HA       SER   4   8.631   5.127  12.634
   27    HB2  SER   4           2HB      SER   4  10.420   6.930  12.701
   28    HB3  SER   4           1HB      SER   4  10.963   5.308  13.137
   29    HG   SER   4           HG       SER   4  11.947   5.094  11.179
   30    H    ASN   5           H        ASN   5   9.401   5.470   9.296
   31    HA   ASN   5           HA       ASN   5   7.884   7.970   9.146
   32    HB2  ASN   5           2HB      ASN   5   8.811   8.092   6.799
   33    HB3  ASN   5           1HB      ASN   5   9.983   8.267   8.096
   34   HD21  ASN   5          1HD2      ASN   5   8.601   5.182   7.097
   35   HD22  ASN   5          2HD2      ASN   5  10.073   4.529   6.468
   36    H    VAL   6           H        VAL   6   7.246   4.881   9.080
   37    HA   VAL   6           HA       VAL   6   5.472   4.960   6.742
   38    HB   VAL   6           HB       VAL   6   6.398   2.623   8.426
   39   HG11  VAL   6          1HG1      VAL   6   4.575   2.708   6.026
   40   HG12  VAL   6          2HG1      VAL   6   4.125   2.255   7.670
   41   HG13  VAL   6          3HG1      VAL   6   5.231   1.239   6.745
   42   HG21  VAL   6          3HG2      VAL   6   8.112   3.486   6.934
   43   HG22  VAL   6          1HG2      VAL   6   6.994   3.394   5.572
   44   HG23  VAL   6          2HG2      VAL   6   7.533   1.917   6.373
   45    H    VAL   7           H        VAL   7   3.459   5.562   7.140
   46    HA   VAL   7           HA       VAL   7   2.429   5.498   9.838
   47    HB   VAL   7           HB       VAL   7   0.296   6.396   8.772
   48   HG11  VAL   7          1HG1      VAL   7   1.847   7.842   9.906
   49   HG12  VAL   7          2HG1      VAL   7   1.296   8.641   8.431
   50   HG13  VAL   7          3HG1      VAL   7   2.894   7.896   8.488
   51   HG21  VAL   7          3HG2      VAL   7   2.090   6.761   6.373
   52   HG22  VAL   7          1HG2      VAL   7   0.415   7.291   6.543
   53   HG23  VAL   7          2HG2      VAL   7   0.786   5.568   6.471
   54    H    LYS   8           H        LYS   8   2.211   3.491   7.039
   55    HA   LYS   8           HA       LYS   8   1.085   1.382   8.568
   56    HB2  LYS   8           2HB      LYS   8  -1.000   2.628   8.137
   57    HB3  LYS   8           1HB      LYS   8  -0.696   2.535   6.409
   58    HG2  LYS   8           2HG      LYS   8  -2.342   0.883   7.117
   59    HG3  LYS   8           1HG      LYS   8  -0.885   0.109   6.493
   60    HD2  LYS   8           2HD      LYS   8  -0.093  -0.194   8.812
   61    HD3  LYS   8           1HD      LYS   8  -1.611   0.491   9.394
   62    HE2  LYS   8           2HE      LYS   8  -2.866  -1.319   8.467
   63    HE3  LYS   8           1HE      LYS   8  -1.451  -1.930   7.610
   64    HZ1  LYS   8           3HZ      LYS   8  -0.423  -2.389   9.774
   65    HZ2  LYS   8           1HZ      LYS   8  -1.866  -3.247   9.561
   66    HZ3  LYS   8           2HZ      LYS   8  -1.832  -1.877  10.561
   67    H    THR   9           H        THR   9   1.565  -0.522   7.736
   68    HA   THR   9           HA       THR   9   2.613  -0.610   4.982
   69    HB   THR   9           HB       THR   9   3.382  -2.168   7.434
   70    HG1  THR   9           1HG      THR   9   4.500  -0.305   7.356
   71   HG21  THR   9          3HG2      THR   9   4.320  -2.636   4.610
   72   HG22  THR   9          1HG2      THR   9   3.291  -3.723   5.541
   73   HG23  THR   9          2HG2      THR   9   4.953  -3.429   6.051
   74    H    TYR  10           H        TYR  10   1.949  -2.280   3.655
   75    HA   TYR  10           HA       TYR  10  -0.279  -3.907   4.655
   76    HB2  TYR  10           2HB      TYR  10  -0.046  -2.360   2.104
   77    HB3  TYR  10           1HB      TYR  10  -1.117  -3.759   2.229
   78    HD1  TYR  10           2HD      TYR  10  -2.543  -3.706   4.548
   79    HD2  TYR  10           1HD      TYR  10  -1.008  -0.360   2.440
   80    HE1  TYR  10           2HE      TYR  10  -4.281  -2.276   5.563
   81    HE2  TYR  10           1HE      TYR  10  -2.716   1.076   3.419
   82    HH   TYR  10           HH       TYR  10  -5.016   0.814   4.408
   83    H    ASP  11           H        ASP  11  -0.332  -5.890   4.285
   84    HA   ASP  11           HA       ASP  11   1.946  -7.083   2.877
   85    HB2  ASP  11           2HB      ASP  11   0.278  -7.896   5.188
   86    HB3  ASP  11           1HB      ASP  11   0.767  -9.191   4.101
   87    H    LEU  12           H        LEU  12   1.651  -7.996   1.028
   88    HA   LEU  12           HA       LEU  12  -1.061  -8.365  -0.018
   89    HB2  LEU  12           2HB      LEU  12   1.575  -8.726  -1.452
   90    HB3  LEU  12           1HB      LEU  12  -0.012  -8.830  -2.188
   91    HG   LEU  12           HG       LEU  12   1.507  -6.421  -1.293
   92   HD11  LEU  12          1HD1      LEU  12   0.766  -5.567  -3.434
   93   HD12  LEU  12          2HD1      LEU  12  -0.232  -6.999  -3.684
   94   HD13  LEU  12          3HD1      LEU  12   1.523  -7.146  -3.639
   95   HD21  LEU  12          3HD2      LEU  12  -0.587  -6.233  -0.061
   96   HD22  LEU  12          1HD2      LEU  12  -1.497  -6.526  -1.545
   97   HD23  LEU  12          2HD2      LEU  12  -0.524  -5.064  -1.381
   98    H    GLN  13           H        GLN  13  -1.753 -10.395  -0.917
   99    HA   GLN  13           HA       GLN  13  -1.446 -12.331   1.065
  100    HB2  GLN  13           2HB      GLN  13  -3.477 -11.926  -0.309
  101    HB3  GLN  13           1HB      GLN  13  -2.677 -12.741  -1.648
  102    HG2  GLN  13           2HG      GLN  13  -2.459 -14.756  -0.236
  103    HG3  GLN  13           1HG      GLN  13  -3.386 -13.930   1.019
  104   HE21  GLN  13          1HE2      GLN  13  -3.465 -15.390  -2.124
  105   HE22  GLN  13          2HE2      GLN  13  -5.191 -15.505  -2.258
  106    H    ASP  14           H        ASP  14   0.390 -12.021  -1.883
  107    HA   ASP  14           HA       ASP  14   1.058 -14.873  -1.797
  108    HB2  ASP  14           2HB      ASP  14   0.434 -14.209  -4.012
  109    HB3  ASP  14           1HB      ASP  14   1.452 -12.771  -3.937
  110    H    GLY  15           H        GLY  15   2.499 -11.689  -1.993
  111    HA2  GLY  15           2HA      GLY  15   4.706 -12.072  -0.398
  112    HA3  GLY  15           1HA      GLY  15   5.122 -12.731  -1.968
  113    H    SER  16           H        SER  16   3.580  -9.853  -0.650
  114    HA   SER  16           HA       SER  16   5.673  -8.209  -1.708
  115    HB2  SER  16           2HB      SER  16   2.879  -7.480  -2.544
  116    HB3  SER  16           1HB      SER  16   4.398  -6.845  -3.142
  117    HG   SER  16           HG       SER  16   4.660  -9.235  -3.807
  118    H    LYS  17           H        LYS  17   5.821  -6.336  -0.528
  119    HA   LYS  17           HA       LYS  17   3.715  -5.873   1.464
  120    HB2  LYS  17           2HB      LYS  17   5.628  -6.943   2.510
  121    HB3  LYS  17           1HB      LYS  17   6.726  -5.756   1.811
  122    HG2  LYS  17           2HG      LYS  17   5.574  -4.020   3.157
  123    HG3  LYS  17           1HG      LYS  17   4.599  -5.296   3.898
  124    HD2  LYS  17           2HD      LYS  17   7.614  -5.185   3.959
  125    HD3  LYS  17           1HD      LYS  17   6.572  -4.599   5.255
  126    HE2  LYS  17           2HE      LYS  17   6.466  -7.426   4.231
  127    HE3  LYS  17           1HE      LYS  17   7.538  -6.926   5.536
  128    HZ1  LYS  17           3HZ      LYS  17   5.512  -6.114   6.716
  129    HZ2  LYS  17           1HZ      LYS  17   5.583  -7.793   6.506
  130    HZ3  LYS  17           2HZ      LYS  17   4.565  -6.863   5.519
  131    H    VAL  18           H        VAL  18   2.914  -3.905   1.426
  132    HA   VAL  18           HA       VAL  18   4.336  -1.817  -0.102
  133    HB   VAL  18           HB       VAL  18   1.378  -2.159   0.492
  134   HG11  VAL  18          1HG1      VAL  18   2.794  -0.020  -1.105
  135   HG12  VAL  18          2HG1      VAL  18   1.911   0.202   0.406
  136   HG13  VAL  18          3HG1      VAL  18   1.049  -0.258  -1.062
  137   HG21  VAL  18          3HG2      VAL  18   1.151  -2.543  -1.914
  138   HG22  VAL  18          1HG2      VAL  18   2.215  -3.737  -1.172
  139   HG23  VAL  18          2HG2      VAL  18   2.900  -2.407  -2.105
  140    H    HIS  19           H        HIS  19   4.518   0.263   0.869
  141    HA   HIS  19           HA       HIS  19   3.365   0.489   3.571
  142    HB2  HIS  19           2HB      HIS  19   5.945   1.884   2.969
  143    HB3  HIS  19           1HB      HIS  19   5.268   1.432   4.526
  144    HD1  HIS  19           1HD      HIS  19   5.851  -0.917   5.422
  145    HD2  HIS  19           2HD      HIS  19   7.344  -0.079   1.663
  146    HE1  HIS  19           1HE      HIS  19   7.541  -2.721   4.958
  147    HE2  HIS  19           2HE      HIS  19   8.523  -2.149   2.705
  148    H    VAL  20           H        VAL  20   2.217   2.279   3.870
  149    HA   VAL  20           HA       VAL  20   2.484   4.420   1.891
  150    HB   VAL  20           HB       VAL  20   0.504   4.234   4.175
  151   HG11  VAL  20          1HG1      VAL  20   0.974   6.522   3.425
  152   HG12  VAL  20          2HG1      VAL  20  -0.663   6.035   2.983
  153   HG13  VAL  20          3HG1      VAL  20   0.611   6.058   1.763
  154   HG21  VAL  20          3HG2      VAL  20   0.192   2.438   2.502
  155   HG22  VAL  20          1HG2      VAL  20   0.057   3.666   1.243
  156   HG23  VAL  20          2HG2      VAL  20  -1.152   3.583   2.528
  157    H    PHE  21           H        PHE  21   3.894   5.920   2.328
  158    HA   PHE  21           HA       PHE  21   5.119   5.956   4.946
  159    HB2  PHE  21           2HB      PHE  21   5.760   7.234   2.309
  160    HB3  PHE  21           1HB      PHE  21   6.621   7.685   3.773
  161    HD1  PHE  21           1HD      PHE  21   5.964   5.008   1.373
  162    HD2  PHE  21           2HD      PHE  21   8.284   6.175   4.767
  163    HE1  PHE  21           1HE      PHE  21   7.441   3.075   1.035
  164    HE2  PHE  21           2HE      PHE  21   9.752   4.245   4.415
  165    HZ   PHE  21           HZ       PHE  21   9.463   2.776   2.645
  166    H    LYS  22           H        LYS  22   5.353   7.814   6.203
  167    HA   LYS  22           HA       LYS  22   2.995   9.278   6.617
  168    HB2  LYS  22           2HB      LYS  22   4.224  10.404   8.341
  169    HB3  LYS  22           1HB      LYS  22   4.825   8.747   8.283
  170    HG2  LYS  22           2HG      LYS  22   6.757   9.403   7.087
  171    HG3  LYS  22           1HG      LYS  22   6.151  11.047   6.891
  172    HD2  LYS  22           2HD      LYS  22   6.111  11.057   9.491
  173    HD3  LYS  22           1HD      LYS  22   7.219   9.691   9.336
  174    HE2  LYS  22           2HE      LYS  22   7.611  12.458   8.196
  175    HE3  LYS  22           1HE      LYS  22   8.452  11.769   9.582
  176    HZ1  LYS  22           3HZ      LYS  22   8.615  10.719   6.800
  177    HZ2  LYS  22           1HZ      LYS  22   9.477  10.148   8.150
  178    HZ3  LYS  22           2HZ      LYS  22   9.780  11.700   7.545
  179    H    ASP  23           H        ASP  23   5.608   9.773   4.488
  180    HA   ASP  23           HA       ASP  23   5.242  12.637   4.264
  181    HB2  ASP  23           2HB      ASP  23   7.174  10.823   2.805
  182    HB3  ASP  23           1HB      ASP  23   7.222  12.582   2.854
  183    H    GLY  24           H        GLY  24   3.841   9.929   3.159
  184    HA2  GLY  24           2HA      GLY  24   1.976  10.071   1.784
  185    HA3  GLY  24           1HA      GLY  24   2.707  11.426   0.974
  186    H    LYS  25           H        LYS  25   5.238   9.377   0.884
  187    HA   LYS  25           HA       LYS  25   4.467   8.336  -1.682
  188    HB2  LYS  25           2HB      LYS  25   7.023   8.189  -0.096
  189    HB3  LYS  25           1HB      LYS  25   6.803   7.357  -1.627
  190    HG2  LYS  25           2HG      LYS  25   7.744   9.233  -2.418
  191    HG3  LYS  25           1HG      LYS  25   6.080   9.805  -2.382
  192    HD2  LYS  25           2HD      LYS  25   7.586  11.455  -1.411
  193    HD3  LYS  25           1HD      LYS  25   6.473  10.823  -0.196
  194    HE2  LYS  25           2HE      LYS  25   8.144   9.520   0.814
  195    HE3  LYS  25           1HE      LYS  25   9.220   9.669  -0.574
  196    HZ1  LYS  25           3HZ      LYS  25   9.799  11.814  -0.003
  197    HZ2  LYS  25           1HZ      LYS  25   9.691  11.060   1.511
  198    HZ3  LYS  25           2HZ      LYS  25   8.432  12.059   0.964
  199    H    MET  26           H        MET  26   5.363   5.987  -2.042
  200    HA   MET  26           HA       MET  26   4.530   4.234   0.124
  201    HB2  MET  26           2HB      MET  26   3.493   4.127  -2.713
  202    HB3  MET  26           1HB      MET  26   3.307   2.823  -1.551
  203    HG2  MET  26           2HG      MET  26   1.276   3.940  -1.484
  204    HG3  MET  26           1HG      MET  26   2.140   4.544  -0.075
  205    HE1  MET  26           3HE      MET  26   1.029   5.379  -3.789
  206    HE2  MET  26           1HE      MET  26   2.785   5.535  -3.822
  207    HE3  MET  26           2HE      MET  26   1.768   6.965  -3.996
  208    H    GLY  27           H        GLY  27   5.607   2.333   0.208
  209    HA2  GLY  27           2HA      GLY  27   7.737   1.956  -1.804
  210    HA3  GLY  27           1HA      GLY  27   7.907   1.550  -0.101
  211    H    MET  28           H        MET  28   7.722   0.146  -2.928
  212    HA   MET  28           HA       MET  28   5.855  -1.971  -2.124
  213    HB2  MET  28           2HB      MET  28   6.039  -0.604  -4.480
  214    HB3  MET  28           1HB      MET  28   7.017  -2.020  -4.830
  215    HG2  MET  28           2HG      MET  28   4.166  -2.054  -3.874
  216    HG3  MET  28           1HG      MET  28   4.699  -2.292  -5.534
  217    HE1  MET  28           3HE      MET  28   3.496  -5.859  -4.610
  218    HE2  MET  28           1HE      MET  28   3.428  -4.552  -5.789
  219    HE3  MET  28           2HE      MET  28   2.763  -4.316  -4.175
  220    H    GLU  29           H        GLU  29   6.677  -3.804  -1.396
  221    HA   GLU  29           HA       GLU  29   9.372  -4.618  -2.268
  222    HB2  GLU  29           2HB      GLU  29   8.110  -4.706   0.461
  223    HB3  GLU  29           1HB      GLU  29   9.339  -5.882   0.021
  224    HG2  GLU  29           2HG      GLU  29  10.959  -4.177  -0.318
  225    HG3  GLU  29           1HG      GLU  29   9.746  -2.909  -0.132
  226    H    ASN  30           H        ASN  30   9.651  -6.900  -2.555
  227    HA   ASN  30           HA       ASN  30   7.095  -8.325  -2.803
  228    HB2  ASN  30           2HB      ASN  30   8.213  -9.872  -4.307
  229    HB3  ASN  30           1HB      ASN  30   8.488  -8.218  -4.847
  230   HD21  ASN  30          1HD2      ASN  30  10.539  -7.386  -4.796
  231   HD22  ASN  30          2HD2      ASN  30  11.930  -8.370  -4.512
  232    H    LYS  31           H        LYS  31   7.364 -10.765  -2.458
  233    HA   LYS  31           HA       LYS  31   7.626 -11.329   0.160
  234    HB2  LYS  31           2HB      LYS  31   8.102 -13.758  -0.654
  235    HB3  LYS  31           1HB      LYS  31   6.548 -12.993  -0.939
  236    HG2  LYS  31           2HG      LYS  31   7.268 -12.457  -3.233
  237    HG3  LYS  31           1HG      LYS  31   8.799 -13.282  -2.924
  238    HD2  LYS  31           2HD      LYS  31   7.660 -15.375  -2.566
  239    HD3  LYS  31           1HD      LYS  31   6.087 -14.585  -2.676
  240    HE2  LYS  31           2HE      LYS  31   8.102 -14.734  -4.916
  241    HE3  LYS  31           1HE      LYS  31   6.729 -15.824  -4.730
  242    HZ1  LYS  31           3HZ      LYS  31   5.252 -13.873  -4.881
  243    HZ2  LYS  31           1HZ      LYS  31   6.189 -14.090  -6.280
  244    HZ3  LYS  31           2HZ      LYS  31   6.606 -12.886  -5.169
  245    H    PHE  32           H        PHE  32  10.369 -10.932  -1.941
  246    HA   PHE  32           HA       PHE  32  12.059 -12.480  -0.138
  247    HB2  PHE  32           2HB      PHE  32  12.749 -11.021  -2.697
  248    HB3  PHE  32           1HB      PHE  32  13.853 -12.029  -1.767
  249    HD1  PHE  32           1HD      PHE  32  13.388 -14.484  -1.570
  250    HD2  PHE  32           2HD      PHE  32  11.244 -11.957  -4.236
  251    HE1  PHE  32           1HE      PHE  32  12.629 -16.458  -2.831
  252    HE2  PHE  32           2HE      PHE  32  10.480 -13.916  -5.498
  253    HZ   PHE  32           HZ       PHE  32  11.172 -16.178  -4.799
  254    H    GLY  33           H        GLY  33  10.738  -9.517  -0.018
  255    HA2  GLY  33           2HA      GLY  33  11.154  -7.897   1.541
  256    HA3  GLY  33           1HA      GLY  33  12.672  -8.687   1.937
  257    H    LYS  34           H        LYS  34  11.850  -7.890  -1.313
  258    HA   LYS  34           HA       LYS  34  14.010  -5.887  -1.265
  259    HB2  LYS  34           2HB      LYS  34  13.115  -7.572  -3.594
  260    HB3  LYS  34           1HB      LYS  34  14.482  -6.471  -3.571
  261    HG2  LYS  34           2HG      LYS  34  14.300  -8.680  -1.608
  262    HG3  LYS  34           1HG      LYS  34  14.878  -9.004  -3.241
  263    HD2  LYS  34           2HD      LYS  34  16.673  -7.409  -2.944
  264    HD3  LYS  34           1HD      LYS  34  16.026  -6.929  -1.375
  265    HE2  LYS  34           2HE      LYS  34  16.972  -9.711  -2.039
  266    HE3  LYS  34           1HE      LYS  34  17.963  -8.489  -1.241
  267    HZ1  LYS  34           3HZ      LYS  34  15.386  -9.540  -0.187
  268    HZ2  LYS  34           1HZ      LYS  34  16.407  -8.421   0.583
  269    HZ3  LYS  34           2HZ      LYS  34  16.923 -10.021   0.339
  270    H    SER  35           H        SER  35  13.777  -4.009  -2.103
  271    HA   SER  35           HA       SER  35  11.062  -3.065  -2.492
  272    HB2  SER  35           2HB      SER  35  12.716  -1.877  -1.048
  273    HB3  SER  35           1HB      SER  35  13.648  -1.494  -2.491
  274    HG   SER  35           HG       SER  35  12.275   0.031  -2.974
  275    H    MET  36           H        MET  36  10.143  -2.545  -4.376
  276    HA   MET  36           HA       MET  36  11.797  -2.073  -6.730
  277    HB2  MET  36           2HB      MET  36   9.931  -3.693  -7.864
  278    HB3  MET  36           1HB      MET  36  11.550  -4.202  -7.409
  279    HG2  MET  36           2HG      MET  36  10.038  -5.837  -6.614
  280    HG3  MET  36           1HG      MET  36  10.621  -4.939  -5.217
  281    HE1  MET  36           3HE      MET  36   7.625  -5.811  -7.513
  282    HE2  MET  36           1HE      MET  36   7.823  -4.104  -7.909
  283    HE3  MET  36           2HE      MET  36   6.395  -4.645  -7.026
  284    H    ASN  37           H        ASN  37  10.065  -1.784  -8.692
  285    HA   ASN  37           HA       ASN  37   8.664   0.587  -7.850
  286    HB2  ASN  37           2HB      ASN  37   8.173   0.862 -10.288
  287    HB3  ASN  37           1HB      ASN  37   9.887   0.737  -9.909
  288   HD21  ASN  37          1HD2      ASN  37  11.053  -1.005 -10.628
  289   HD22  ASN  37          2HD2      ASN  37  10.423  -2.156 -11.766
  290    H    MET  38           H        MET  38   6.501   0.994  -7.939
  291    HA   MET  38           HA       MET  38   4.787  -1.371  -7.849
  292    HB2  MET  38           2HB      MET  38   4.771   0.269  -5.973
  293    HB3  MET  38           1HB      MET  38   4.170   1.491  -7.085
  294    HG2  MET  38           2HG      MET  38   2.133   0.250  -7.419
  295    HG3  MET  38           1HG      MET  38   2.747  -1.078  -6.434
  296    HE1  MET  38           3HE      MET  38  -0.028   0.303  -4.093
  297    HE2  MET  38           1HE      MET  38   0.673  -1.129  -4.846
  298    HE3  MET  38           2HE      MET  38  -0.082   0.113  -5.846
  299    HA   PRO  39           HA       PRO  39   3.278  -0.364 -11.902
  300    HB2  PRO  39           2HB      PRO  39   1.460  -2.348 -12.102
  301    HB3  PRO  39           1HB      PRO  39   3.199  -2.646 -12.210
  302    HG2  PRO  39           2HG      PRO  39   1.347  -3.040  -9.894
  303    HG3  PRO  39           1HG      PRO  39   2.662  -4.081 -10.468
  304    HD2  PRO  39           2HD      PRO  39   2.899  -2.362  -8.353
  305    HD3  PRO  39           1HD      PRO  39   4.265  -2.867  -9.368
  306    H    GLU  40           H        GLU  40   1.712   0.922 -12.670
  307    HA   GLU  40           HA       GLU  40  -0.482   1.655 -10.883
  308    HB2  GLU  40           2HB      GLU  40   0.874   3.457 -11.881
  309    HB3  GLU  40           1HB      GLU  40   0.415   2.906 -13.488
  310    HG2  GLU  40           2HG      GLU  40  -1.955   3.355 -12.902
  311    HG3  GLU  40           1HG      GLU  40  -1.403   4.028 -11.372
  312    H    GLY  41           H        GLY  41  -2.640   1.565 -11.478
  313    HA2  GLY  41           2HA      GLY  41  -4.424   1.240 -13.002
  314    HA3  GLY  41           1HA      GLY  41  -3.309   0.432 -14.092
  315    H    LYS  42           H        LYS  42  -2.448  -0.949 -11.397
  316    HA   LYS  42           HA       LYS  42  -4.391  -3.127 -11.718
  317    HB2  LYS  42           2HB      LYS  42  -1.529  -3.137 -10.785
  318    HB3  LYS  42           1HB      LYS  42  -2.582  -4.540 -10.711
  319    HG2  LYS  42           2HG      LYS  42  -2.838  -4.488 -13.135
  320    HG3  LYS  42           1HG      LYS  42  -1.793  -3.068 -13.216
  321    HD2  LYS  42           2HD      LYS  42  -0.595  -5.148 -13.766
  322    HD3  LYS  42           1HD      LYS  42   0.069  -4.351 -12.337
  323    HE2  LYS  42           2HE      LYS  42  -0.100  -6.776 -12.025
  324    HE3  LYS  42           1HE      LYS  42  -1.127  -5.900 -10.894
  325    HZ1  LYS  42           3HZ      LYS  42  -3.041  -6.408 -12.228
  326    HZ2  LYS  42           1HZ      LYS  42  -2.220  -7.850 -11.881
  327    HZ3  LYS  42           2HZ      LYS  42  -2.083  -7.144 -13.419
  328    H    VAL  43           H        VAL  43  -5.645  -3.687 -10.090
  329    HA   VAL  43           HA       VAL  43  -5.178  -2.479  -7.480
  330    HB   VAL  43           HB       VAL  43  -7.462  -2.326  -8.334
  331   HG11  VAL  43          1HG1      VAL  43  -7.463  -5.338  -8.277
  332   HG12  VAL  43          2HG1      VAL  43  -7.572  -4.310  -9.706
  333   HG13  VAL  43          3HG1      VAL  43  -8.881  -4.318  -8.524
  334   HG21  VAL  43          3HG2      VAL  43  -7.134  -2.412  -5.938
  335   HG22  VAL  43          1HG2      VAL  43  -7.224  -4.172  -5.968
  336   HG23  VAL  43          2HG2      VAL  43  -8.644  -3.207  -6.382
  337    H    MET  44           H        MET  44  -4.367  -3.565  -5.821
  338    HA   MET  44           HA       MET  44  -3.903  -6.443  -6.202
  339    HB2  MET  44           2HB      MET  44  -1.814  -6.115  -4.864
  340    HB3  MET  44           1HB      MET  44  -1.801  -5.323  -6.434
  341    HG2  MET  44           2HG      MET  44  -2.459  -3.208  -5.260
  342    HG3  MET  44           1HG      MET  44  -2.186  -4.054  -3.739
  343    HE1  MET  44           3HE      MET  44   1.112  -3.257  -6.870
  344    HE2  MET  44           1HE      MET  44  -0.561  -2.726  -7.048
  345    HE3  MET  44           2HE      MET  44  -0.170  -4.445  -7.103
  346    H    GLU  45           H        GLU  45  -3.975  -7.758  -4.329
  347    HA   GLU  45           HA       GLU  45  -5.759  -6.617  -2.324
  348    HB2  GLU  45           2HB      GLU  45  -6.652  -8.413  -3.775
  349    HB3  GLU  45           1HB      GLU  45  -5.397  -9.493  -3.183
  350    HG2  GLU  45           2HG      GLU  45  -6.287  -9.388  -0.974
  351    HG3  GLU  45           1HG      GLU  45  -7.491  -8.199  -1.462
  352    H    THR  46           H        THR  46  -5.550  -7.275  -0.192
  353    HA   THR  46           HA       THR  46  -2.751  -7.784   0.573
  354    HB   THR  46           HB       THR  46  -3.244  -6.800   2.733
  355    HG1  THR  46           1HG      THR  46  -5.236  -6.375   3.391
  356   HG21  THR  46          3HG2      THR  46  -2.605  -5.281   0.910
  357   HG22  THR  46          1HG2      THR  46  -3.688  -4.498   2.059
  358   HG23  THR  46          2HG2      THR  46  -4.308  -5.060   0.507
  359    H    ARG  47           H        ARG  47  -2.397  -9.097   2.546
  360    HA   ARG  47           HA       ARG  47  -3.527 -11.627   2.388
  361    HB2  ARG  47           2HB      ARG  47  -1.948 -10.186   4.482
  362    HB3  ARG  47           1HB      ARG  47  -2.605 -11.780   4.821
  363    HG2  ARG  47           2HG      ARG  47  -1.373 -12.711   2.948
  364    HG3  ARG  47           1HG      ARG  47  -0.753 -11.107   2.546
  365    HD2  ARG  47           2HD      ARG  47   0.599 -11.023   4.443
  366    HD3  ARG  47           1HD      ARG  47  -0.305 -12.298   5.261
  367    HE   ARG  47           HE       ARG  47   0.646 -13.746   3.346
  368   HH11  ARG  47          1HH1      ARG  47   2.369 -11.080   4.884
  369   HH12  ARG  47          2HH1      ARG  47   3.926 -11.806   4.638
  370   HH21  ARG  47          1HH2      ARG  47   2.721 -14.666   3.051
  371   HH22  ARG  47          2HH2      ARG  47   4.130 -13.807   3.604
  372    H    ASP  48           H        ASP  48  -4.811  -8.823   3.882
  373    HA   ASP  48           HA       ASP  48  -6.435 -10.408   5.732
  374    HB2  ASP  48           2HB      ASP  48  -6.943  -8.325   6.856
  375    HB3  ASP  48           1HB      ASP  48  -5.199  -8.465   6.630
  376    H    GLY  49           H        GLY  49  -6.632  -8.757   2.726
  377    HA2  GLY  49           2HA      GLY  49  -8.555  -9.332   1.365
  378    HA3  GLY  49           1HA      GLY  49  -9.549  -9.161   2.801
  379    H    THR  50           H        THR  50  -7.082  -6.763   2.248
  380    HA   THR  50           HA       THR  50  -9.167  -4.835   1.538
  381    HB   THR  50           HB       THR  50  -6.316  -4.408   2.480
  382    HG1  THR  50           1HG      THR  50  -7.537  -5.132   4.199
  383   HG21  THR  50          3HG2      THR  50  -8.539  -2.392   2.098
  384   HG22  THR  50          1HG2      THR  50  -7.113  -2.556   1.071
  385   HG23  THR  50          2HG2      THR  50  -6.934  -2.058   2.753
  386    H    LYS  51           H        LYS  51  -8.902  -3.493  -0.308
  387    HA   LYS  51           HA       LYS  51  -6.986  -4.552  -2.276
  388    HB2  LYS  51           2HB      LYS  51  -9.589  -3.117  -2.826
  389    HB3  LYS  51           1HB      LYS  51  -8.533  -3.873  -4.014
  390    HG2  LYS  51           2HG      LYS  51  -8.999  -6.056  -3.091
  391    HG3  LYS  51           1HG      LYS  51  -9.991  -5.334  -1.824
  392    HD2  LYS  51           2HD      LYS  51 -11.434  -4.381  -3.656
  393    HD3  LYS  51           1HD      LYS  51 -10.530  -5.394  -4.783
  394    HE2  LYS  51           2HE      LYS  51 -12.647  -6.430  -4.048
  395    HE3  LYS  51           1HE      LYS  51 -11.229  -7.388  -3.622
  396    HZ1  LYS  51           3HZ      LYS  51 -11.428  -6.848  -1.398
  397    HZ2  LYS  51           1HZ      LYS  51 -13.045  -7.033  -1.867
  398    HZ3  LYS  51           2HZ      LYS  51 -12.387  -5.479  -1.688
  399    H    ILE  52           H        ILE  52  -5.539  -3.200  -3.151
  400    HA   ILE  52           HA       ILE  52  -5.891  -0.309  -2.805
  401    HB   ILE  52           HB       ILE  52  -3.504  -0.073  -2.192
  402   HG12  ILE  52          2HG1      ILE  52  -3.565  -3.087  -1.880
  403   HG13  ILE  52          1HG1      ILE  52  -2.729  -2.222  -3.164
  404   HG21  ILE  52          1HG2      ILE  52  -5.045  -1.843  -0.295
  405   HG22  ILE  52          2HG2      ILE  52  -5.249  -0.102  -0.465
  406   HG23  ILE  52          3HG2      ILE  52  -3.723  -0.753   0.128
  407   HD11  ILE  52          3HD1      ILE  52  -1.172  -2.911  -1.455
  408   HD12  ILE  52          1HD1      ILE  52  -2.115  -2.072  -0.221
  409   HD13  ILE  52          2HD1      ILE  52  -1.297  -1.151  -1.483
  410    H    ILE  53           H        ILE  53  -4.512   0.965  -4.207
  411    HA   ILE  53           HA       ILE  53  -2.941  -0.271  -6.252
  412    HB   ILE  53           HB       ILE  53  -4.851  -0.744  -7.523
  413   HG12  ILE  53          2HG1      ILE  53  -3.709   1.917  -8.356
  414   HG13  ILE  53          1HG1      ILE  53  -3.369   0.322  -9.015
  415   HG21  ILE  53          1HG2      ILE  53  -6.475   0.412  -6.120
  416   HG22  ILE  53          2HG2      ILE  53  -6.747   0.747  -7.831
  417   HG23  ILE  53          3HG2      ILE  53  -5.975   1.960  -6.808
  418   HD11  ILE  53          3HD1      ILE  53  -4.690   1.768 -10.510
  419   HD12  ILE  53          1HD1      ILE  53  -5.989   1.768  -9.316
  420   HD13  ILE  53          2HD1      ILE  53  -5.508   0.258 -10.094
  421    H    MET  54           H        MET  54  -1.776   1.265  -7.504
  422    HA   MET  54           HA       MET  54  -1.751   3.958  -6.309
  423    HB2  MET  54           2HB      MET  54   0.352   2.551  -6.126
  424    HB3  MET  54           1HB      MET  54   0.462   2.596  -7.877
  425    HG2  MET  54           2HG      MET  54   0.414   5.084  -6.198
  426    HG3  MET  54           1HG      MET  54   1.901   4.223  -6.580
  427    HE1  MET  54           3HE      MET  54   2.042   4.540 -10.484
  428    HE2  MET  54           1HE      MET  54   1.315   3.223  -9.564
  429    HE3  MET  54           2HE      MET  54   2.845   3.922  -9.041
  430    H    LYS  55           H        LYS  55  -2.525   5.512  -7.548
  431    HA   LYS  55           HA       LYS  55  -2.423   5.197 -10.459
  432    HB2  LYS  55           2HB      LYS  55  -4.662   4.478  -9.715
  433    HB3  LYS  55           1HB      LYS  55  -4.884   6.021  -8.901
  434    HG2  LYS  55           2HG      LYS  55  -6.055   5.960 -11.031
  435    HG3  LYS  55           1HG      LYS  55  -4.782   7.181 -11.040
  436    HD2  LYS  55           2HD      LYS  55  -3.303   5.493 -12.156
  437    HD3  LYS  55           1HD      LYS  55  -4.722   4.454 -12.317
  438    HE2  LYS  55           2HE      LYS  55  -5.844   6.150 -13.639
  439    HE3  LYS  55           1HE      LYS  55  -4.491   7.256 -13.413
  440    HZ1  LYS  55           3HZ      LYS  55  -4.564   4.753 -14.994
  441    HZ2  LYS  55           1HZ      LYS  55  -3.099   5.486 -14.533
  442    HZ3  LYS  55           2HZ      LYS  55  -4.194   6.325 -15.519
  443    H    GLY  56           H        GLY  56  -1.415   6.866 -11.281
  444    HA2  GLY  56           2HA      GLY  56  -0.596   8.988 -11.583
  445    HA3  GLY  56           1HA      GLY  56  -2.068   9.552 -10.806
  446    H    ASN  57           H        ASN  57   0.577   7.592  -9.481
  447    HA   ASN  57           HA       ASN  57   2.119   7.957  -7.859
  448    HB2  ASN  57           2HB      ASN  57   3.194   9.883  -8.192
  449    HB3  ASN  57           1HB      ASN  57   1.804  10.516  -9.058
  450   HD21  ASN  57          1HD2      ASN  57   0.310  11.806  -7.948
  451   HD22  ASN  57          2HD2      ASN  57   0.732  12.613  -6.471
  452    H    GLU  58           H        GLU  58  -1.080   8.332  -7.531
  453    HA   GLU  58           HA       GLU  58  -0.982   8.875  -4.641
  454    HB2  GLU  58           2HB      GLU  58  -3.359   8.841  -6.501
  455    HB3  GLU  58           1HB      GLU  58  -3.401   9.241  -4.790
  456    HG2  GLU  58           2HG      GLU  58  -2.017  11.197  -5.195
  457    HG3  GLU  58           1HG      GLU  58  -1.927  10.790  -6.908
  458    H    ILE  59           H        ILE  59  -1.918   7.459  -3.189
  459    HA   ILE  59           HA       ILE  59  -2.337   4.777  -4.254
  460    HB   ILE  59           HB       ILE  59  -1.034   5.766  -1.906
  461   HG12  ILE  59          2HG1      ILE  59  -0.234   4.099  -3.561
  462   HG13  ILE  59          1HG1      ILE  59  -0.063   3.573  -1.889
  463   HG21  ILE  59          1HG2      ILE  59  -3.110   5.370  -0.691
  464   HG22  ILE  59          2HG2      ILE  59  -1.880   4.196  -0.225
  465   HG23  ILE  59          3HG2      ILE  59  -3.177   3.722  -1.320
  466   HD11  ILE  59          3HD1      ILE  59  -2.041   2.173  -2.120
  467   HD12  ILE  59          1HD1      ILE  59  -0.827   1.767  -3.332
  468   HD13  ILE  59          2HD1      ILE  59  -2.239   2.719  -3.784
  469    H    PHE  60           H        PHE  60  -4.261   4.055  -4.537
  470    HA   PHE  60           HA       PHE  60  -6.575   5.038  -3.096
  471    HB2  PHE  60           2HB      PHE  60  -7.266   4.435  -5.195
  472    HB3  PHE  60           1HB      PHE  60  -5.987   3.256  -5.393
  473    HD1  PHE  60           1HD      PHE  60  -6.318   0.996  -4.082
  474    HD2  PHE  60           2HD      PHE  60  -9.442   3.749  -4.935
  475    HE1  PHE  60           1HE      PHE  60  -7.995  -0.768  -3.693
  476    HE2  PHE  60           2HE      PHE  60 -11.108   2.007  -4.554
  477    HZ   PHE  60           HZ       PHE  60 -10.283  -0.411  -4.229
  478    H    ARG  61           H        ARG  61  -6.894   4.391  -1.078
  479    HA   ARG  61           HA       ARG  61  -6.283   1.584  -0.470
  480    HB2  ARG  61           2HB      ARG  61  -5.042   3.086   1.004
  481    HB3  ARG  61           1HB      ARG  61  -6.517   3.949   1.416
  482    HG2  ARG  61           2HG      ARG  61  -7.378   2.036   2.588
  483    HG3  ARG  61           1HG      ARG  61  -6.016   1.048   2.056
  484    HD2  ARG  61           2HD      ARG  61  -5.772   1.821   4.381
  485    HD3  ARG  61           1HD      ARG  61  -4.483   2.405   3.333
  486    HE   ARG  61           HE       ARG  61  -6.412   4.379   3.359
  487   HH11  ARG  61          1HH1      ARG  61  -4.390   2.787   5.727
  488   HH12  ARG  61          2HH1      ARG  61  -4.273   4.183   6.763
  489   HH21  ARG  61          1HH2      ARG  61  -6.291   6.219   4.734
  490   HH22  ARG  61          2HH2      ARG  61  -5.350   6.135   6.191
  491    H    LEU  62           H        LEU  62  -8.010   0.507  -0.813
  492    HA   LEU  62           HA       LEU  62 -10.164   0.166  -1.598
  493    HB2  LEU  62           2HB      LEU  62 -11.719  -0.091   0.264
  494    HB3  LEU  62           1HB      LEU  62 -10.135  -0.752   0.611
  495    HG   LEU  62           HG       LEU  62 -10.098   1.885   1.594
  496   HD11  LEU  62          1HD1      LEU  62 -11.983   1.908   3.122
  497   HD12  LEU  62          2HD1      LEU  62 -12.588   0.407   2.423
  498   HD13  LEU  62          3HD1      LEU  62 -12.537   1.877   1.446
  499   HD21  LEU  62          3HD2      LEU  62  -8.896  -0.056   2.461
  500   HD22  LEU  62          1HD2      LEU  62 -10.418  -0.744   3.030
  501   HD23  LEU  62          2HD2      LEU  62  -9.818   0.763   3.726
  502    H    ASP  63           H        ASP  63  -9.340   3.133  -1.625
  503    HA   ASP  63           HA       ASP  63 -10.202   5.251  -1.607
  504    HB2  ASP  63           2HB      ASP  63 -10.487   4.573  -3.872
  505    HB3  ASP  63           1HB      ASP  63 -11.972   3.737  -3.485
  506    H    GLU  64           H        GLU  64 -10.823   5.190   0.590
  507    HA   GLU  64           HA       GLU  64 -13.307   6.318   1.105
  508    HB2  GLU  64           2HB      GLU  64 -14.185   4.022   0.728
  509    HB3  GLU  64           1HB      GLU  64 -13.131   3.422   2.001
  510    HG2  GLU  64           2HG      GLU  64 -14.308   4.808   3.627
  511    HG3  GLU  64           1HG      GLU  64 -15.364   5.408   2.349
  512    H    ALA  65           H        ALA  65 -10.788   4.214   2.374
  513    HA   ALA  65           HA       ALA  65 -10.676   5.230   5.000
  514    HB1  ALA  65           1HB      ALA  65  -9.476   3.229   3.594
  515    HB2  ALA  65           2HB      ALA  65  -9.095   3.683   5.256
  516    HB3  ALA  65           3HB      ALA  65  -8.133   4.325   3.919
  517    H    LEU  66           H        LEU  66 -10.020   6.669   2.127
  518    HA   LEU  66           HA       LEU  66  -8.149   8.627   3.290
  519    HB2  LEU  66           2HB      LEU  66  -8.643   8.073   0.366
  520    HB3  LEU  66           1HB      LEU  66  -7.364   9.052   1.061
  521    HG   LEU  66           HG       LEU  66  -7.536   6.126   1.691
  522   HD11  LEU  66          1HD1      LEU  66  -6.035   5.697  -0.196
  523   HD12  LEU  66          2HD1      LEU  66  -6.242   7.366  -0.729
  524   HD13  LEU  66          3HD1      LEU  66  -7.620   6.262  -0.726
  525   HD21  LEU  66          3HD2      LEU  66  -6.015   7.542   2.993
  526   HD22  LEU  66          1HD2      LEU  66  -5.236   8.066   1.501
  527   HD23  LEU  66          2HD2      LEU  66  -5.137   6.377   2.003
  528    H    ARG  67           H        ARG  67 -11.304   8.086   2.269
  529    HA   ARG  67           HA       ARG  67 -11.767  10.527   0.852
  530    HB2  ARG  67           2HB      ARG  67 -13.015   8.368   0.479
  531    HB3  ARG  67           1HB      ARG  67 -13.839   8.664   2.005
  532    HG2  ARG  67           2HG      ARG  67 -15.228   9.393   0.192
  533    HG3  ARG  67           1HG      ARG  67 -14.673  10.802   1.098
  534    HD2  ARG  67           2HD      ARG  67 -12.786  10.935  -0.610
  535    HD3  ARG  67           1HD      ARG  67 -13.729   9.796  -1.566
  536    HE   ARG  67           HE       ARG  67 -15.499  11.780  -1.023
  537   HH11  ARG  67          1HH1      ARG  67 -12.285  11.694  -2.402
  538   HH12  ARG  67          2HH1      ARG  67 -12.522  13.101  -3.387
  539   HH21  ARG  67          1HH2      ARG  67 -15.823  13.660  -2.297
  540   HH22  ARG  67          2HH2      ARG  67 -14.547  14.223  -3.336
  541    H    LYS  68           H        LYS  68 -12.799   9.285   4.023
  542    HA   LYS  68           HA       LYS  68 -13.745  11.960   4.741
  543    HB2  LYS  68           2HB      LYS  68 -14.004   9.297   6.148
  544    HB3  LYS  68           1HB      LYS  68 -14.654  10.810   6.753
  545    HG2  LYS  68           2HG      LYS  68 -16.108  10.985   4.810
  546    HG3  LYS  68           1HG      LYS  68 -15.435   9.485   4.165
  547    HD2  LYS  68           2HD      LYS  68 -17.544   9.013   5.231
  548    HD3  LYS  68           1HD      LYS  68 -16.241   8.305   6.187
  549    HE2  LYS  68           2HE      LYS  68 -17.816   9.345   7.677
  550    HE3  LYS  68           1HE      LYS  68 -16.324  10.285   7.679
  551    HZ1  LYS  68           3HZ      LYS  68 -18.290  11.694   7.584
  552    HZ2  LYS  68           1HZ      LYS  68 -18.768  10.961   6.132
  553    HZ3  LYS  68           2HZ      LYS  68 -17.344  11.875   6.190
  554    H    GLY  69           H        GLY  69 -10.887  10.781   4.597
  555    HA2  GLY  69           2HA      GLY  69  -8.904  11.232   5.701
  556    HA3  GLY  69           1HA      GLY  69  -9.837  12.129   6.897
  557    H    HIS  70           H        HIS  70  -8.573  11.169   8.561
  558    HA   HIS  70           HA       HIS  70  -9.783   8.743   9.531
  559    HB2  HIS  70           2HB      HIS  70  -7.709   8.196   7.979
  560    HB3  HIS  70           1HB      HIS  70  -6.792   8.651   9.411
  561    HD1  HIS  70           1HD      HIS  70  -5.956   6.409  10.162
  562    HD2  HIS  70           2HD      HIS  70 -10.051   6.417   9.430
  563    HE1  HIS  70           1HE      HIS  70  -6.779   4.148  10.889
  564    HE2  HIS  70           2HE      HIS  70  -9.242   4.133  10.356
  565    H    SER  71           H        SER  71 -10.400   9.650  11.406
  566    HA   SER  71           HA       SER  71  -8.312  10.849  13.097
  567    HB2  SER  71           2HB      SER  71 -11.099  11.978  12.717
  568    HB3  SER  71           1HB      SER  71  -9.838  12.642  13.758
  569    HG   SER  71           HG       SER  71  -8.751  12.416  11.393
  570    H    GLU  72           H        GLU  72  -8.150   9.358  14.658
  571    HA   GLU  72           HA       GLU  72 -10.338   7.825  15.634
  572    HB2  GLU  72           2HB      GLU  72  -7.552   8.287  16.693
  573    HB3  GLU  72           1HB      GLU  72  -8.698   7.195  17.451
  574    HG2  GLU  72           2HG      GLU  72  -7.189   5.936  16.088
  575    HG3  GLU  72           1HG      GLU  72  -8.794   5.888  15.368
  576    H    GLY  73           H        GLY  73  -8.681  10.728  16.751
  577    HA2  GLY  73           2HA      GLY  73 -10.861  11.099  18.701
  578    HA3  GLY  73           1HA      GLY  73  -9.185  11.397  19.145
  579    H    GLY  74           H        GLY  74 -11.681  12.379  16.821
  580    HA2  GLY  74           2HA      GLY  74 -11.852  15.001  17.199
  581    HA3  GLY  74           1HA      GLY  74 -10.299  14.911  16.380
  Start of MODEL    4
    1    H1   VAL   1           1HT      VAL   1  12.356  -2.856   6.655
    2    H2   VAL   1           2HT      VAL   1  11.374  -2.605   5.299
    3    H3   VAL   1           3HT      VAL   1  10.678  -2.730   6.838
    4    HA   VAL   1           HA       VAL   1  12.515  -0.575   5.963
    5    HB   VAL   1           HB       VAL   1  10.549   0.913   6.125
    6   HG11  VAL   1          2HG1      VAL   1   9.426   0.208   4.062
    7   HG12  VAL   1          3HG1      VAL   1  10.169  -1.384   4.208
    8   HG13  VAL   1          1HG1      VAL   1  11.178   0.039   3.945
    9   HG21  VAL   1          1HG2      VAL   1   8.282  -0.050   6.185
   10   HG22  VAL   1          2HG2      VAL   1   9.175  -0.351   7.676
   11   HG23  VAL   1          3HG2      VAL   1   8.980  -1.639   6.487
   12    H    ASP   2           H        ASP   2  11.968   1.379   7.601
   13    HA   ASP   2           HA       ASP   2  12.607   0.266  10.207
   14    HB2  ASP   2           2HB      ASP   2  14.041   2.049   9.183
   15    HB3  ASP   2           1HB      ASP   2  12.681   3.156   9.337
   16    H    MET   3           H        MET   3  10.080   1.447   8.561
   17    HA   MET   3           HA       MET   3   7.892   1.773   8.967
   18    HB2  MET   3           2HB      MET   3   8.454   0.541  11.658
   19    HB3  MET   3           1HB      MET   3   6.896   0.659  10.855
   20    HG2  MET   3           2HG      MET   3   7.951  -0.722   8.991
   21    HG3  MET   3           1HG      MET   3   9.235  -1.068  10.147
   22    HE1  MET   3           3HE      MET   3   5.525  -1.548   9.157
   23    HE2  MET   3           1HE      MET   3   5.342  -0.625  10.651
   24    HE3  MET   3           2HE      MET   3   4.823  -2.309  10.590
   25    H    SER   4           H        SER   4  10.092   3.654  10.409
   26    HA   SER   4           HA       SER   4   8.410   4.882  12.407
   27    HB2  SER   4           2HB      SER   4  11.103   5.766  11.342
   28    HB3  SER   4           1HB      SER   4  10.305   6.371  12.794
   29    HG   SER   4           HG       SER   4  11.816   4.146  12.457
   30    H    ASN   5           H        ASN   5   9.310   5.408   9.104
   31    HA   ASN   5           HA       ASN   5   7.761   7.894   9.065
   32    HB2  ASN   5           2HB      ASN   5   8.678   8.106   6.717
   33    HB3  ASN   5           1HB      ASN   5   9.866   8.218   8.008
   34   HD21  ASN   5          1HD2      ASN   5   8.422   5.216   6.878
   35   HD22  ASN   5          2HD2      ASN   5   9.882   4.569   6.207
   36    H    VAL   6           H        VAL   6   7.139   4.830   8.954
   37    HA   VAL   6           HA       VAL   6   5.389   4.864   6.606
   38    HB   VAL   6           HB       VAL   6   6.391   2.573   8.314
   39   HG11  VAL   6          1HG1      VAL   6   4.099   2.149   7.606
   40   HG12  VAL   6          2HG1      VAL   6   5.219   1.111   6.727
   41   HG13  VAL   6          3HG1      VAL   6   4.530   2.532   5.940
   42   HG21  VAL   6          3HG2      VAL   6   7.518   1.856   6.269
   43   HG22  VAL   6          1HG2      VAL   6   8.042   3.471   6.750
   44   HG23  VAL   6          2HG2      VAL   6   6.899   3.273   5.423
   45    H    VAL   7           H        VAL   7   3.341   5.404   6.978
   46    HA   VAL   7           HA       VAL   7   2.321   5.333   9.693
   47    HB   VAL   7           HB       VAL   7   0.237   6.328   8.732
   48   HG11  VAL   7          1HG1      VAL   7   1.259   8.516   8.260
   49   HG12  VAL   7          2HG1      VAL   7   2.835   7.733   8.135
   50   HG13  VAL   7          3HG1      VAL   7   1.968   7.729   9.670
   51   HG21  VAL   7          3HG2      VAL   7   1.835   6.493   6.175
   52   HG22  VAL   7          1HG2      VAL   7   0.223   7.159   6.459
   53   HG23  VAL   7          2HG2      VAL   7   0.458   5.410   6.439
   54    H    LYS   8           H        LYS   8   2.166   3.341   6.909
   55    HA   LYS   8           HA       LYS   8   0.972   1.251   8.408
   56    HB2  LYS   8           2HB      LYS   8  -1.120   2.333   7.964
   57    HB3  LYS   8           1HB      LYS   8  -0.719   2.548   6.267
   58    HG2  LYS   8           2HG      LYS   8  -2.305   0.768   6.465
   59    HG3  LYS   8           1HG      LYS   8  -0.744   0.088   5.998
   60    HD2  LYS   8           2HD      LYS   8  -0.338  -0.587   8.310
   61    HD3  LYS   8           1HD      LYS   8  -1.888   0.110   8.795
   62    HE2  LYS   8           2HE      LYS   8  -3.087  -1.456   7.434
   63    HE3  LYS   8           1HE      LYS   8  -1.592  -2.060   6.726
   64    HZ1  LYS   8           3HZ      LYS   8  -2.445  -2.365   9.557
   65    HZ2  LYS   8           1HZ      LYS   8  -0.954  -2.881   8.932
   66    HZ3  LYS   8           2HZ      LYS   8  -2.395  -3.582   8.376
   67    H    THR   9           H        THR   9   1.804  -0.526   7.749
   68    HA   THR   9           HA       THR   9   2.812  -0.764   5.013
   69    HB   THR   9           HB       THR   9   3.378  -2.287   7.520
   70    HG1  THR   9           1HG      THR   9   5.481  -1.546   7.198
   71   HG21  THR   9          3HG2      THR   9   4.930  -3.705   6.232
   72   HG22  THR   9          1HG2      THR   9   4.325  -2.972   4.747
   73   HG23  THR   9          2HG2      THR   9   3.248  -3.942   5.753
   74    H    TYR  10           H        TYR  10   2.044  -2.276   3.647
   75    HA   TYR  10           HA       TYR  10  -0.246  -3.849   4.569
   76    HB2  TYR  10           2HB      TYR  10   0.186  -2.316   2.056
   77    HB3  TYR  10           1HB      TYR  10  -0.789  -3.786   1.994
   78    HD1  TYR  10           2HD      TYR  10  -2.592  -3.950   3.965
   79    HD2  TYR  10           1HD      TYR  10  -0.875  -0.364   2.479
   80    HE1  TYR  10           2HE      TYR  10  -4.539  -2.680   4.789
   81    HE2  TYR  10           1HE      TYR  10  -2.799   0.913   3.278
   82    HH   TYR  10           HH       TYR  10  -5.156   0.537   3.847
   83    H    ASP  11           H        ASP  11  -0.206  -5.865   4.425
   84    HA   ASP  11           HA       ASP  11   2.082  -7.169   3.143
   85    HB2  ASP  11           2HB      ASP  11  -0.017  -8.180   5.082
   86    HB3  ASP  11           1HB      ASP  11   1.222  -9.198   4.363
   87    H    LEU  12           H        LEU  12   1.785  -7.902   1.182
   88    HA   LEU  12           HA       LEU  12  -0.904  -8.024   0.067
   89    HB2  LEU  12           2HB      LEU  12   1.753  -8.578  -1.268
   90    HB3  LEU  12           1HB      LEU  12   0.197  -8.540  -2.081
   91    HG   LEU  12           HG       LEU  12   1.817  -6.264  -1.002
   92   HD11  LEU  12          1HD1      LEU  12   1.378  -5.299  -3.163
   93   HD12  LEU  12          2HD1      LEU  12   0.263  -6.605  -3.561
   94   HD13  LEU  12          3HD1      LEU  12   1.982  -6.941  -3.376
   95   HD21  LEU  12          3HD2      LEU  12  -0.091  -4.772  -1.189
   96   HD22  LEU  12          1HD2      LEU  12  -0.386  -6.010   0.031
   97   HD23  LEU  12          2HD2      LEU  12  -1.146  -6.140  -1.555
   98    H    GLN  13           H        GLN  13  -1.804  -9.932  -0.894
   99    HA   GLN  13           HA       GLN  13  -1.465 -12.151   0.810
  100    HB2  GLN  13           2HB      GLN  13  -3.496 -11.258  -0.635
  101    HB3  GLN  13           1HB      GLN  13  -2.892 -12.449  -1.779
  102    HG2  GLN  13           2HG      GLN  13  -3.206 -14.216  -0.255
  103    HG3  GLN  13           1HG      GLN  13  -3.480 -13.101   1.084
  104   HE21  GLN  13          1HE2      GLN  13  -5.455 -12.000   1.208
  105   HE22  GLN  13          2HE2      GLN  13  -6.862 -12.545   0.356
  106    H    ASP  14           H        ASP  14   0.331 -11.241  -1.819
  107    HA   ASP  14           HA       ASP  14   1.075 -13.952  -2.607
  108    HB2  ASP  14           2HB      ASP  14   0.787 -12.390  -4.436
  109    HB3  ASP  14           1HB      ASP  14   1.884 -11.240  -3.682
  110    H    GLY  15           H        GLY  15   2.018 -11.414  -0.585
  111    HA2  GLY  15           2HA      GLY  15   3.665 -12.077   1.147
  112    HA3  GLY  15           1HA      GLY  15   4.663 -12.661  -0.169
  113    H    SER  16           H        SER  16   3.560 -10.143  -1.618
  114    HA   SER  16           HA       SER  16   5.872  -8.575  -1.274
  115    HB2  SER  16           2HB      SER  16   3.348  -7.456  -2.412
  116    HB3  SER  16           1HB      SER  16   5.005  -7.277  -2.986
  117    HG   SER  16           HG       SER  16   4.942  -9.356  -3.794
  118    H    LYS  17           H        LYS  17   6.073  -6.458  -0.385
  119    HA   LYS  17           HA       LYS  17   4.008  -5.796   1.604
  120    HB2  LYS  17           2HB      LYS  17   6.915  -4.976   1.614
  121    HB3  LYS  17           1HB      LYS  17   5.727  -4.590   2.848
  122    HG2  LYS  17           2HG      LYS  17   5.498  -7.086   3.205
  123    HG3  LYS  17           1HG      LYS  17   6.959  -7.250   2.210
  124    HD2  LYS  17           2HD      LYS  17   7.844  -5.370   3.852
  125    HD3  LYS  17           1HD      LYS  17   6.624  -6.062   4.922
  126    HE2  LYS  17           2HE      LYS  17   8.716  -7.139   5.361
  127    HE3  LYS  17           1HE      LYS  17   7.659  -8.291   4.546
  128    HZ1  LYS  17           3HZ      LYS  17   9.987  -8.234   3.715
  129    HZ2  LYS  17           1HZ      LYS  17   9.698  -6.665   3.126
  130    HZ3  LYS  17           2HZ      LYS  17   8.810  -7.983   2.522
  131    H    VAL  18           H        VAL  18   3.162  -3.800   1.665
  132    HA   VAL  18           HA       VAL  18   4.309  -1.740  -0.110
  133    HB   VAL  18           HB       VAL  18   1.374  -2.183   0.551
  134   HG11  VAL  18          1HG1      VAL  18   2.685  -0.090  -1.186
  135   HG12  VAL  18          2HG1      VAL  18   1.833   0.182   0.337
  136   HG13  VAL  18          3HG1      VAL  18   0.949  -0.378  -1.083
  137   HG21  VAL  18          3HG2      VAL  18   2.835  -2.537  -2.064
  138   HG22  VAL  18          1HG2      VAL  18   1.095  -2.703  -1.821
  139   HG23  VAL  18          2HG2      VAL  18   2.208  -3.826  -1.039
  140    H    HIS  19           H        HIS  19   4.327   0.369   0.821
  141    HA   HIS  19           HA       HIS  19   3.220   0.566   3.527
  142    HB2  HIS  19           2HB      HIS  19   5.851   1.888   3.023
  143    HB3  HIS  19           1HB      HIS  19   5.144   1.361   4.543
  144    HD1  HIS  19           1HD      HIS  19   5.546  -1.130   5.224
  145    HD2  HIS  19           2HD      HIS  19   7.318   0.050   1.692
  146    HE1  HIS  19           1HE      HIS  19   7.147  -2.981   4.638
  147    HE2  HIS  19           2HE      HIS  19   8.350  -2.175   2.569
  148    H    VAL  20           H        VAL  20   2.063   2.318   3.760
  149    HA   VAL  20           HA       VAL  20   2.360   4.467   1.803
  150    HB   VAL  20           HB       VAL  20   0.362   4.274   4.074
  151   HG11  VAL  20          1HG1      VAL  20  -0.848   6.005   2.845
  152   HG12  VAL  20          2HG1      VAL  20   0.422   6.037   1.620
  153   HG13  VAL  20          3HG1      VAL  20   0.774   6.549   3.271
  154   HG21  VAL  20          3HG2      VAL  20   0.074   2.425   2.477
  155   HG22  VAL  20          1HG2      VAL  20  -0.025   3.592   1.158
  156   HG23  VAL  20          2HG2      VAL  20  -1.270   3.568   2.409
  157    H    PHE  21           H        PHE  21   3.703   6.038   2.249
  158    HA   PHE  21           HA       PHE  21   4.963   6.047   4.854
  159    HB2  PHE  21           2HB      PHE  21   5.596   7.333   2.209
  160    HB3  PHE  21           1HB      PHE  21   6.477   7.751   3.672
  161    HD1  PHE  21           1HD      PHE  21   5.779   5.014   1.252
  162    HD2  PHE  21           2HD      PHE  21   8.061   6.282   4.629
  163    HE1  PHE  21           1HE      PHE  21   7.295   3.112   0.950
  164    HE2  PHE  21           2HE      PHE  21   9.571   4.369   4.318
  165    HZ   PHE  21           HZ       PHE  21   9.188   2.781   2.479
  166    H    LYS  22           H        LYS  22   5.266   7.911   6.078
  167    HA   LYS  22           HA       LYS  22   2.986   9.437   6.584
  168    HB2  LYS  22           2HB      LYS  22   4.467  10.723   8.084
  169    HB3  LYS  22           1HB      LYS  22   4.730   8.984   8.231
  170    HG2  LYS  22           2HG      LYS  22   6.712   9.062   7.009
  171    HG3  LYS  22           1HG      LYS  22   6.406  10.712   6.457
  172    HD2  LYS  22           2HD      LYS  22   6.570  11.452   8.846
  173    HD3  LYS  22           1HD      LYS  22   7.080   9.812   9.260
  174    HE2  LYS  22           2HE      LYS  22   9.007  10.020   7.787
  175    HE3  LYS  22           1HE      LYS  22   8.477  11.629   7.293
  176    HZ1  LYS  22           3HZ      LYS  22  10.225  11.722   8.956
  177    HZ2  LYS  22           1HZ      LYS  22   9.269  10.847  10.052
  178    HZ3  LYS  22           2HZ      LYS  22   8.792  12.398   9.553
  179    H    ASP  23           H        ASP  23   5.364   9.851   4.209
  180    HA   ASP  23           HA       ASP  23   5.137  12.707   3.947
  181    HB2  ASP  23           2HB      ASP  23   7.291  11.903   3.418
  182    HB3  ASP  23           1HB      ASP  23   6.655  10.535   2.513
  183    H    GLY  24           H        GLY  24   3.395   9.990   3.053
  184    HA2  GLY  24           2HA      GLY  24   1.440  10.082   1.829
  185    HA3  GLY  24           1HA      GLY  24   2.052  11.491   0.997
  186    H    LYS  25           H        LYS  25   4.607   9.425   0.840
  187    HA   LYS  25           HA       LYS  25   3.744   8.404  -1.736
  188    HB2  LYS  25           2HB      LYS  25   6.406   8.588  -0.370
  189    HB3  LYS  25           1HB      LYS  25   6.173   7.636  -1.827
  190    HG2  LYS  25           2HG      LYS  25   5.276   9.735  -2.898
  191    HG3  LYS  25           1HG      LYS  25   5.881  10.589  -1.482
  192    HD2  LYS  25           2HD      LYS  25   7.518   8.871  -3.325
  193    HD3  LYS  25           1HD      LYS  25   7.493  10.635  -3.328
  194    HE2  LYS  25           2HE      LYS  25   8.262   8.994  -0.920
  195    HE3  LYS  25           1HE      LYS  25   9.435   9.553  -2.114
  196    HZ1  LYS  25           3HZ      LYS  25   8.862  11.818  -1.613
  197    HZ2  LYS  25           1HZ      LYS  25   9.250  11.024  -0.167
  198    HZ3  LYS  25           2HZ      LYS  25   7.628  11.333  -0.555
  199    H    MET  26           H        MET  26   5.111   6.172  -2.056
  200    HA   MET  26           HA       MET  26   4.407   4.330   0.086
  201    HB2  MET  26           2HB      MET  26   3.334   4.068  -2.730
  202    HB3  MET  26           1HB      MET  26   3.181   2.853  -1.470
  203    HG2  MET  26           2HG      MET  26   1.116   3.901  -1.489
  204    HG3  MET  26           1HG      MET  26   1.955   4.660  -0.141
  205    HE1  MET  26           3HE      MET  26   1.197   5.071  -4.003
  206    HE2  MET  26           1HE      MET  26   2.906   5.470  -3.827
  207    HE3  MET  26           2HE      MET  26   1.746   6.727  -4.258
  208    H    GLY  27           H        GLY  27   5.471   2.366  -0.017
  209    HA2  GLY  27           2HA      GLY  27   7.480   2.083  -2.164
  210    HA3  GLY  27           1HA      GLY  27   7.894   1.823  -0.471
  211    H    MET  28           H        MET  28   7.793   0.031  -2.942
  212    HA   MET  28           HA       MET  28   5.992  -2.023  -1.850
  213    HB2  MET  28           2HB      MET  28   5.358  -1.017  -4.069
  214    HB3  MET  28           1HB      MET  28   6.833  -1.696  -4.734
  215    HG2  MET  28           2HG      MET  28   4.845  -3.460  -3.371
  216    HG3  MET  28           1HG      MET  28   4.585  -2.937  -5.034
  217    HE1  MET  28           3HE      MET  28   4.527  -5.411  -5.920
  218    HE2  MET  28           1HE      MET  28   4.713  -5.990  -4.265
  219    HE3  MET  28           2HE      MET  28   5.754  -6.620  -5.542
  220    H    GLU  29           H        GLU  29   6.770  -3.986  -1.452
  221    HA   GLU  29           HA       GLU  29   9.507  -4.684  -2.321
  222    HB2  GLU  29           2HB      GLU  29   8.113  -5.212   0.306
  223    HB3  GLU  29           1HB      GLU  29   9.507  -6.141  -0.217
  224    HG2  GLU  29           2HG      GLU  29  10.930  -4.309  -0.069
  225    HG3  GLU  29           1HG      GLU  29   9.593  -3.158  -0.002
  226    H    ASN  30           H        ASN  30   9.774  -6.869  -2.940
  227    HA   ASN  30           HA       ASN  30   7.319  -8.270  -3.613
  228    HB2  ASN  30           2HB      ASN  30   8.713  -9.792  -4.852
  229    HB3  ASN  30           1HB      ASN  30   9.276  -8.156  -5.183
  230   HD21  ASN  30          1HD2      ASN  30  10.758 -10.497  -5.594
  231   HD22  ASN  30          2HD2      ASN  30  12.138 -10.453  -4.540
  232    H    LYS  31           H        LYS  31   7.082 -10.609  -3.019
  233    HA   LYS  31           HA       LYS  31   7.216 -11.152  -0.329
  234    HB2  LYS  31           2HB      LYS  31   6.920 -13.550  -0.975
  235    HB3  LYS  31           1HB      LYS  31   5.780 -12.423  -1.694
  236    HG2  LYS  31           2HG      LYS  31   7.226 -12.425  -3.743
  237    HG3  LYS  31           1HG      LYS  31   8.129 -13.754  -3.010
  238    HD2  LYS  31           2HD      LYS  31   6.237 -15.167  -3.016
  239    HD3  LYS  31           1HD      LYS  31   5.146 -13.822  -3.357
  240    HE2  LYS  31           2HE      LYS  31   6.326 -13.555  -5.555
  241    HE3  LYS  31           1HE      LYS  31   7.171 -15.065  -5.209
  242    HZ1  LYS  31           3HZ      LYS  31   5.091 -16.223  -5.145
  243    HZ2  LYS  31           1HZ      LYS  31   5.185 -15.364  -6.604
  244    HZ3  LYS  31           2HZ      LYS  31   4.217 -14.781  -5.337
  245    H    PHE  32           H        PHE  32   9.981 -10.722  -1.963
  246    HA   PHE  32           HA       PHE  32  11.402 -12.727  -0.356
  247    HB2  PHE  32           2HB      PHE  32  12.318 -11.391  -2.913
  248    HB3  PHE  32           1HB      PHE  32  13.259 -12.540  -1.966
  249    HD1  PHE  32           1HD      PHE  32  11.739 -14.751  -1.381
  250    HD2  PHE  32           2HD      PHE  32  11.400 -12.268  -4.817
  251    HE1  PHE  32           1HE      PHE  32  10.712 -16.609  -2.617
  252    HE2  PHE  32           2HE      PHE  32  10.372 -14.120  -6.059
  253    HZ   PHE  32           HZ       PHE  32  10.026 -16.302  -4.962
  254    H    GLY  33           H        GLY  33  10.469  -9.637  -0.290
  255    HA2  GLY  33           2HA      GLY  33  11.001  -8.128   1.350
  256    HA3  GLY  33           1HA      GLY  33  12.371  -9.128   1.776
  257    H    LYS  34           H        LYS  34  12.056  -8.070  -1.511
  258    HA   LYS  34           HA       LYS  34  14.084  -6.011  -0.959
  259    HB2  LYS  34           2HB      LYS  34  15.108  -6.420  -3.091
  260    HB3  LYS  34           1HB      LYS  34  14.977  -7.942  -2.228
  261    HG2  LYS  34           2HG      LYS  34  14.200  -8.726  -4.161
  262    HG3  LYS  34           1HG      LYS  34  12.687  -7.956  -3.681
  263    HD2  LYS  34           2HD      LYS  34  13.403  -5.910  -4.882
  264    HD3  LYS  34           1HD      LYS  34  14.828  -6.785  -5.451
  265    HE2  LYS  34           2HE      LYS  34  13.233  -8.493  -6.417
  266    HE3  LYS  34           1HE      LYS  34  11.936  -7.350  -6.071
  267    HZ1  LYS  34           3HZ      LYS  34  12.572  -7.027  -8.307
  268    HZ2  LYS  34           1HZ      LYS  34  14.225  -6.989  -7.924
  269    HZ3  LYS  34           2HZ      LYS  34  13.215  -5.711  -7.452
  270    H    SER  35           H        SER  35  14.007  -4.106  -2.124
  271    HA   SER  35           HA       SER  35  11.271  -3.241  -2.392
  272    HB2  SER  35           2HB      SER  35  12.919  -1.917  -1.127
  273    HB3  SER  35           1HB      SER  35  13.832  -1.647  -2.610
  274    HG   SER  35           HG       SER  35  11.146  -0.989  -2.716
  275    H    MET  36           H        MET  36  10.254  -2.454  -4.156
  276    HA   MET  36           HA       MET  36  11.659  -2.022  -6.643
  277    HB2  MET  36           2HB      MET  36   9.909  -3.531  -7.827
  278    HB3  MET  36           1HB      MET  36  11.314  -4.284  -7.088
  279    HG2  MET  36           2HG      MET  36  10.016  -4.942  -5.176
  280    HG3  MET  36           1HG      MET  36   8.614  -4.066  -5.785
  281    HE1  MET  36           3HE      MET  36   7.414  -6.144  -8.772
  282    HE2  MET  36           1HE      MET  36   8.411  -4.689  -8.790
  283    HE3  MET  36           2HE      MET  36   7.075  -4.828  -7.648
  284    H    ASN  37           H        ASN  37   9.721  -1.611  -8.390
  285    HA   ASN  37           HA       ASN  37   8.159   0.518  -7.104
  286    HB2  ASN  37           2HB      ASN  37   8.910   0.104 -10.008
  287    HB3  ASN  37           1HB      ASN  37   7.949   1.449  -9.403
  288   HD21  ASN  37          1HD2      ASN  37  11.104   0.028  -9.582
  289   HD22  ASN  37          2HD2      ASN  37  11.985   1.402  -9.001
  290    H    MET  38           H        MET  38   5.974   0.851  -7.639
  291    HA   MET  38           HA       MET  38   4.589  -1.647  -8.327
  292    HB2  MET  38           2HB      MET  38   4.076  -0.604  -6.138
  293    HB3  MET  38           1HB      MET  38   3.541   0.844  -6.970
  294    HG2  MET  38           2HG      MET  38   1.761  -0.443  -8.053
  295    HG3  MET  38           1HG      MET  38   2.284  -1.881  -7.176
  296    HE1  MET  38           3HE      MET  38   1.640  -0.728  -3.448
  297    HE2  MET  38           1HE      MET  38   3.118  -0.530  -4.387
  298    HE3  MET  38           2HE      MET  38   2.217  -2.045  -4.471
  299    HA   PRO  39           HA       PRO  39   3.412   0.313 -12.159
  300    HB2  PRO  39           2HB      PRO  39   1.978  -1.733 -13.161
  301    HB3  PRO  39           1HB      PRO  39   3.744  -1.777 -13.083
  302    HG2  PRO  39           2HG      PRO  39   1.732  -3.024 -11.246
  303    HG3  PRO  39           1HG      PRO  39   3.229  -3.719 -11.899
  304    HD2  PRO  39           2HD      PRO  39   3.022  -2.666  -9.387
  305    HD3  PRO  39           1HD      PRO  39   4.535  -2.694 -10.312
  306    H    GLU  40           H        GLU  40   1.645   1.459 -12.843
  307    HA   GLU  40           HA       GLU  40  -0.566   1.668 -11.008
  308    HB2  GLU  40           2HB      GLU  40   0.485   3.652 -12.111
  309    HB3  GLU  40           1HB      GLU  40  -0.155   3.091 -13.649
  310    HG2  GLU  40           2HG      GLU  40  -2.438   3.260 -12.709
  311    HG3  GLU  40           1HG      GLU  40  -1.745   3.941 -11.240
  312    H    GLY  41           H        GLY  41  -2.784   1.434 -11.572
  313    HA2  GLY  41           2HA      GLY  41  -4.547   0.863 -13.033
  314    HA3  GLY  41           1HA      GLY  41  -3.389   0.069 -14.081
  315    H    LYS  42           H        LYS  42  -2.285  -1.214 -11.460
  316    HA   LYS  42           HA       LYS  42  -4.098  -3.495 -11.684
  317    HB2  LYS  42           2HB      LYS  42  -1.288  -3.282 -10.611
  318    HB3  LYS  42           1HB      LYS  42  -2.242  -4.756 -10.595
  319    HG2  LYS  42           2HG      LYS  42  -2.399  -4.574 -13.087
  320    HG3  LYS  42           1HG      LYS  42  -1.222  -3.264 -12.992
  321    HD2  LYS  42           2HD      LYS  42  -0.147  -5.417 -13.489
  322    HD3  LYS  42           1HD      LYS  42   0.387  -4.761 -11.938
  323    HE2  LYS  42           2HE      LYS  42  -1.152  -6.235 -10.764
  324    HE3  LYS  42           1HE      LYS  42  -1.757  -6.849 -12.301
  325    HZ1  LYS  42           3HZ      LYS  42   0.357  -7.827 -12.762
  326    HZ2  LYS  42           1HZ      LYS  42  -0.123  -8.318 -11.210
  327    HZ3  LYS  42           2HZ      LYS  42   1.058  -7.114 -11.395
  328    H    VAL  43           H        VAL  43  -5.439  -4.011 -10.088
  329    HA   VAL  43           HA       VAL  43  -5.080  -2.752  -7.490
  330    HB   VAL  43           HB       VAL  43  -7.338  -2.729  -8.375
  331   HG11  VAL  43          1HG1      VAL  43  -7.239  -4.699  -9.797
  332   HG12  VAL  43          2HG1      VAL  43  -8.629  -4.773  -8.716
  333   HG13  VAL  43          3HG1      VAL  43  -7.194  -5.740  -8.373
  334   HG21  VAL  43          3HG2      VAL  43  -7.116  -2.860  -5.968
  335   HG22  VAL  43          1HG2      VAL  43  -7.081  -4.621  -6.044
  336   HG23  VAL  43          2HG2      VAL  43  -8.545  -3.748  -6.497
  337    H    MET  44           H        MET  44  -4.136  -3.726  -5.839
  338    HA   MET  44           HA       MET  44  -3.605  -6.616  -6.040
  339    HB2  MET  44           2HB      MET  44  -2.041  -4.372  -4.796
  340    HB3  MET  44           1HB      MET  44  -1.819  -6.025  -4.247
  341    HG2  MET  44           2HG      MET  44  -0.125  -5.596  -5.818
  342    HG3  MET  44           1HG      MET  44  -1.296  -6.641  -6.615
  343    HE1  MET  44           3HE      MET  44  -1.721  -2.814  -5.906
  344    HE2  MET  44           1HE      MET  44  -1.066  -2.096  -7.376
  345    HE3  MET  44           2HE      MET  44   0.005  -2.933  -6.252
  346    H    GLU  45           H        GLU  45  -3.884  -7.918  -4.213
  347    HA   GLU  45           HA       GLU  45  -5.528  -6.669  -2.130
  348    HB2  GLU  45           2HB      GLU  45  -5.539  -9.433  -3.265
  349    HB3  GLU  45           1HB      GLU  45  -6.152  -9.142  -1.641
  350    HG2  GLU  45           2HG      GLU  45  -7.650  -7.406  -2.612
  351    HG3  GLU  45           1HG      GLU  45  -7.148  -7.952  -4.214
  352    H    THR  46           H        THR  46  -5.392  -7.505  -0.042
  353    HA   THR  46           HA       THR  46  -2.594  -8.009   0.727
  354    HB   THR  46           HB       THR  46  -3.104  -7.032   2.895
  355    HG1  THR  46           1HG      THR  46  -5.213  -5.994   3.131
  356   HG21  THR  46          3HG2      THR  46  -2.380  -5.527   1.109
  357   HG22  THR  46          1HG2      THR  46  -3.493  -4.716   2.211
  358   HG23  THR  46          2HG2      THR  46  -4.058  -5.275   0.635
  359    H    ARG  47           H        ARG  47  -2.266  -9.300   2.697
  360    HA   ARG  47           HA       ARG  47  -3.358 -11.809   2.738
  361    HB2  ARG  47           2HB      ARG  47  -2.173 -10.120   4.917
  362    HB3  ARG  47           1HB      ARG  47  -2.652 -11.786   5.193
  363    HG2  ARG  47           2HG      ARG  47  -1.059 -12.571   3.590
  364    HG3  ARG  47           1HG      ARG  47  -0.694 -10.921   3.076
  365    HD2  ARG  47           2HD      ARG  47   1.013 -11.851   4.590
  366    HD3  ARG  47           1HD      ARG  47   0.233 -10.411   5.238
  367    HE   ARG  47           HE       ARG  47  -0.806 -13.014   6.066
  368   HH11  ARG  47          1HH1      ARG  47   1.122 -10.181   6.853
  369   HH12  ARG  47          2HH1      ARG  47   1.015 -10.437   8.572
  370   HH21  ARG  47          1HH2      ARG  47  -0.916 -13.359   8.308
  371   HH22  ARG  47          2HH2      ARG  47  -0.126 -12.256   9.396
  372    H    ASP  48           H        ASP  48  -4.716  -8.895   3.963
  373    HA   ASP  48           HA       ASP  48  -6.486 -10.283   5.806
  374    HB2  ASP  48           2HB      ASP  48  -5.355  -8.369   6.687
  375    HB3  ASP  48           1HB      ASP  48  -5.881  -7.366   5.337
  376    H    GLY  49           H        GLY  49  -6.507  -8.833   2.656
  377    HA2  GLY  49           2HA      GLY  49  -8.324  -9.422   1.202
  378    HA3  GLY  49           1HA      GLY  49  -9.408  -9.286   2.578
  379    H    THR  50           H        THR  50  -6.910  -6.908   2.059
  380    HA   THR  50           HA       THR  50  -8.967  -4.932   1.402
  381    HB   THR  50           HB       THR  50  -6.086  -4.502   2.238
  382    HG1  THR  50           1HG      THR  50  -7.891  -5.492   3.746
  383   HG21  THR  50          3HG2      THR  50  -8.439  -2.599   2.211
  384   HG22  THR  50          1HG2      THR  50  -7.108  -2.597   1.055
  385   HG23  THR  50          2HG2      THR  50  -6.803  -2.223   2.749
  386    H    LYS  51           H        LYS  51  -8.737  -3.610  -0.431
  387    HA   LYS  51           HA       LYS  51  -6.849  -4.650  -2.441
  388    HB2  LYS  51           2HB      LYS  51  -9.531  -3.291  -2.775
  389    HB3  LYS  51           1HB      LYS  51  -8.457  -3.694  -4.108
  390    HG2  LYS  51           2HG      LYS  51  -8.683  -6.037  -3.667
  391    HG3  LYS  51           1HG      LYS  51  -9.579  -5.716  -2.182
  392    HD2  LYS  51           2HD      LYS  51 -11.413  -4.778  -3.438
  393    HD3  LYS  51           1HD      LYS  51 -10.505  -4.927  -4.943
  394    HE2  LYS  51           2HE      LYS  51 -12.207  -6.701  -4.640
  395    HE3  LYS  51           1HE      LYS  51 -10.570  -7.328  -4.810
  396    HZ1  LYS  51           3HZ      LYS  51 -11.719  -6.862  -2.129
  397    HZ2  LYS  51           1HZ      LYS  51 -10.476  -7.928  -2.589
  398    HZ3  LYS  51           2HZ      LYS  51 -12.089  -8.275  -2.985
  399    H    ILE  52           H        ILE  52  -5.353  -3.301  -3.271
  400    HA   ILE  52           HA       ILE  52  -5.685  -0.407  -2.864
  401    HB   ILE  52           HB       ILE  52  -3.294  -0.216  -2.223
  402   HG12  ILE  52          2HG1      ILE  52  -3.440  -3.225  -1.908
  403   HG13  ILE  52          1HG1      ILE  52  -2.556  -2.384  -3.177
  404   HG21  ILE  52          1HG2      ILE  52  -5.061  -0.175  -0.532
  405   HG22  ILE  52          2HG2      ILE  52  -3.583  -0.898   0.096
  406   HG23  ILE  52          3HG2      ILE  52  -4.942  -1.927  -0.363
  407   HD11  ILE  52          3HD1      ILE  52  -1.137  -1.343  -1.469
  408   HD12  ILE  52          1HD1      ILE  52  -1.052  -3.103  -1.435
  409   HD13  ILE  52          2HD1      ILE  52  -1.999  -2.243  -0.224
  410    H    ILE  53           H        ILE  53  -4.306   0.903  -4.196
  411    HA   ILE  53           HA       ILE  53  -2.697  -0.289  -6.242
  412    HB   ILE  53           HB       ILE  53  -4.476  -0.684  -7.642
  413   HG12  ILE  53          2HG1      ILE  53  -4.728   1.252  -9.280
  414   HG13  ILE  53          1HG1      ILE  53  -3.650   2.155  -8.219
  415   HG21  ILE  53          1HG2      ILE  53  -6.239   0.155  -6.241
  416   HG22  ILE  53          2HG2      ILE  53  -6.462   0.702  -7.904
  417   HG23  ILE  53          3HG2      ILE  53  -5.838   1.815  -6.685
  418   HD11  ILE  53          3HD1      ILE  53  -3.095  -0.269  -9.846
  419   HD12  ILE  53          1HD1      ILE  53  -2.063   0.195  -8.498
  420   HD13  ILE  53          2HD1      ILE  53  -2.276   1.298  -9.857
  421    H    MET  54           H        MET  54  -1.342   1.175  -7.250
  422    HA   MET  54           HA       MET  54  -1.187   3.824  -5.954
  423    HB2  MET  54           2HB      MET  54   0.801   2.305  -5.781
  424    HB3  MET  54           1HB      MET  54   0.912   2.285  -7.529
  425    HG2  MET  54           2HG      MET  54   1.088   4.834  -5.968
  426    HG3  MET  54           1HG      MET  54   2.491   3.807  -6.241
  427    HE1  MET  54           3HE      MET  54   3.852   5.681  -7.403
  428    HE2  MET  54           1HE      MET  54   2.543   6.824  -7.108
  429    HE3  MET  54           2HE      MET  54   3.250   6.687  -8.719
  430    H    LYS  55           H        LYS  55  -2.236   5.270  -7.128
  431    HA   LYS  55           HA       LYS  55  -1.916   5.259 -10.036
  432    HB2  LYS  55           2HB      LYS  55  -3.964   4.002  -9.503
  433    HB3  LYS  55           1HB      LYS  55  -4.573   5.391  -8.612
  434    HG2  LYS  55           2HG      LYS  55  -4.898   6.643 -10.544
  435    HG3  LYS  55           1HG      LYS  55  -3.830   5.608 -11.502
  436    HD2  LYS  55           2HD      LYS  55  -5.406   3.808 -11.420
  437    HD3  LYS  55           1HD      LYS  55  -6.427   4.695 -10.294
  438    HE2  LYS  55           2HE      LYS  55  -6.986   6.309 -11.975
  439    HE3  LYS  55           1HE      LYS  55  -5.802   5.625 -13.088
  440    HZ1  LYS  55           3HZ      LYS  55  -8.132   4.104 -12.055
  441    HZ2  LYS  55           1HZ      LYS  55  -7.086   3.665 -13.316
  442    HZ3  LYS  55           2HZ      LYS  55  -8.159   4.966 -13.516
  443    H    GLY  56           H        GLY  56  -1.796   7.218 -10.923
  444    HA2  GLY  56           2HA      GLY  56  -1.721   9.509 -11.099
  445    HA3  GLY  56           1HA      GLY  56  -2.914   9.579  -9.812
  446    H    ASN  57           H        ASN  57   0.256   8.095  -9.524
  447    HA   ASN  57           HA       ASN  57   2.080   8.546  -8.250
  448    HB2  ASN  57           2HB      ASN  57   1.075  11.376  -8.548
  449    HB3  ASN  57           1HB      ASN  57   2.531  10.986  -7.642
  450   HD21  ASN  57          1HD2      ASN  57   1.588   9.217 -10.501
  451   HD22  ASN  57          2HD2      ASN  57   2.857   9.809 -11.520
  452    H    GLU  58           H        GLU  58  -0.656   8.071  -7.155
  453    HA   GLU  58           HA       GLU  58  -0.028   8.657  -4.342
  454    HB2  GLU  58           2HB      GLU  58  -2.765   8.900  -5.599
  455    HB3  GLU  58           1HB      GLU  58  -2.402   9.084  -3.890
  456    HG2  GLU  58           2HG      GLU  58  -0.951  11.031  -4.492
  457    HG3  GLU  58           1HG      GLU  58  -1.564  10.896  -6.140
  458    H    ILE  59           H        ILE  59  -2.239   7.415  -3.244
  459    HA   ILE  59           HA       ILE  59  -2.230   4.792  -4.471
  460    HB   ILE  59           HB       ILE  59  -0.604   5.193  -2.319
  461   HG12  ILE  59          2HG1      ILE  59  -2.033   2.738  -3.326
  462   HG13  ILE  59          1HG1      ILE  59  -0.453   3.347  -3.805
  463   HG21  ILE  59          1HG2      ILE  59  -1.597   4.025  -0.406
  464   HG22  ILE  59          2HG2      ILE  59  -3.153   3.987  -1.237
  465   HG23  ILE  59          3HG2      ILE  59  -2.449   5.532  -0.756
  466   HD11  ILE  59          3HD1      ILE  59   0.428   2.794  -1.597
  467   HD12  ILE  59          1HD1      ILE  59  -0.254   1.379  -2.400
  468   HD13  ILE  59          2HD1      ILE  59  -1.158   2.188  -1.119
  469    H    PHE  60           H        PHE  60  -4.100   3.977  -4.626
  470    HA   PHE  60           HA       PHE  60  -6.394   4.937  -3.164
  471    HB2  PHE  60           2HB      PHE  60  -7.060   4.364  -5.268
  472    HB3  PHE  60           1HB      PHE  60  -5.751   3.228  -5.485
  473    HD1  PHE  60           1HD      PHE  60  -6.105   1.001  -3.967
  474    HD2  PHE  60           2HD      PHE  60  -9.173   3.546  -5.426
  475    HE1  PHE  60           1HE      PHE  60  -7.757  -0.795  -3.650
  476    HE2  PHE  60           2HE      PHE  60 -10.815   1.766  -5.124
  477    HZ   PHE  60           HZ       PHE  60  -9.942  -0.586  -4.747
  478    H    ARG  61           H        ARG  61  -6.498   4.394  -1.139
  479    HA   ARG  61           HA       ARG  61  -6.052   1.573  -0.448
  480    HB2  ARG  61           2HB      ARG  61  -4.510   3.249   0.717
  481    HB3  ARG  61           1HB      ARG  61  -5.944   3.893   1.505
  482    HG2  ARG  61           2HG      ARG  61  -6.127   1.187   1.976
  483    HG3  ARG  61           1HG      ARG  61  -4.397   1.509   2.099
  484    HD2  ARG  61           2HD      ARG  61  -6.588   2.941   3.596
  485    HD3  ARG  61           1HD      ARG  61  -5.501   1.725   4.260
  486    HE   ARG  61           HE       ARG  61  -4.332   4.173   3.142
  487   HH11  ARG  61          1HH1      ARG  61  -5.107   2.177   5.912
  488   HH12  ARG  61          2HH1      ARG  61  -4.114   3.082   7.010
  489   HH21  ARG  61          1HH2      ARG  61  -3.028   5.382   4.595
  490   HH22  ARG  61          2HH2      ARG  61  -2.949   4.919   6.271
  491    H    LEU  62           H        LEU  62  -7.955   0.640  -0.178
  492    HA   LEU  62           HA       LEU  62 -10.271   0.400  -0.283
  493    HB2  LEU  62           2HB      LEU  62  -9.830   2.496   1.775
  494    HB3  LEU  62           1HB      LEU  62 -11.460   2.292   1.174
  495    HG   LEU  62           HG       LEU  62 -11.107   1.086   3.231
  496   HD11  LEU  62          1HD1      LEU  62 -12.720   0.224   1.642
  497   HD12  LEU  62          2HD1      LEU  62 -11.909  -1.122   2.448
  498   HD13  LEU  62          3HD1      LEU  62 -11.453  -0.669   0.804
  499   HD21  LEU  62          3HD2      LEU  62  -8.730   0.630   3.044
  500   HD22  LEU  62          1HD2      LEU  62  -9.031  -0.477   1.704
  501   HD23  LEU  62          2HD2      LEU  62  -9.629  -0.863   3.318
  502    H    ASP  63           H        ASP  63  -9.042   3.610  -0.788
  503    HA   ASP  63           HA       ASP  63  -9.500   5.246  -2.275
  504    HB2  ASP  63           2HB      ASP  63 -10.279   3.826  -4.006
  505    HB3  ASP  63           1HB      ASP  63 -11.755   3.466  -3.126
  506    H    GLU  64           H        GLU  64 -12.132   3.904  -0.444
  507    HA   GLU  64           HA       GLU  64 -13.183   6.586   0.012
  508    HB2  GLU  64           2HB      GLU  64 -14.699   4.643  -0.555
  509    HB3  GLU  64           1HB      GLU  64 -14.340   3.998   1.043
  510    HG2  GLU  64           2HG      GLU  64 -15.348   5.856   2.116
  511    HG3  GLU  64           1HG      GLU  64 -15.462   6.750   0.601
  512    H    ALA  65           H        ALA  65 -10.982   4.482   1.461
  513    HA   ALA  65           HA       ALA  65 -11.414   5.006   4.205
  514    HB1  ALA  65           1HB      ALA  65  -9.823   3.294   3.302
  515    HB2  ALA  65           2HB      ALA  65  -9.141   4.317   4.572
  516    HB3  ALA  65           3HB      ALA  65  -8.723   4.611   2.884
  517    H    LEU  66           H        LEU  66  -9.620   6.672   1.710
  518    HA   LEU  66           HA       LEU  66  -8.879   8.867   3.442
  519    HB2  LEU  66           2HB      LEU  66  -8.625   8.641   0.447
  520    HB3  LEU  66           1HB      LEU  66  -7.790   9.776   1.492
  521    HG   LEU  66           HG       LEU  66  -7.105   7.297   2.521
  522   HD11  LEU  66          1HD1      LEU  66  -7.041   7.206  -0.491
  523   HD12  LEU  66          2HD1      LEU  66  -7.996   6.167   0.569
  524   HD13  LEU  66          3HD1      LEU  66  -6.233   6.064   0.585
  525   HD21  LEU  66          3HD2      LEU  66  -5.692   9.257   2.344
  526   HD22  LEU  66          1HD2      LEU  66  -5.606   9.050   0.594
  527   HD23  LEU  66          2HD2      LEU  66  -4.895   7.839   1.661
  528    H    ARG  67           H        ARG  67 -11.381   8.025   1.254
  529    HA   ARG  67           HA       ARG  67 -12.314  10.600   0.568
  530    HB2  ARG  67           2HB      ARG  67 -12.886   8.505  -0.644
  531    HB3  ARG  67           1HB      ARG  67 -13.892   8.028   0.711
  532    HG2  ARG  67           2HG      ARG  67 -15.233  10.073   0.349
  533    HG3  ARG  67           1HG      ARG  67 -14.279  10.390  -1.098
  534    HD2  ARG  67           2HD      ARG  67 -14.991   8.222  -2.016
  535    HD3  ARG  67           1HD      ARG  67 -15.985   7.957  -0.582
  536    HE   ARG  67           HE       ARG  67 -16.483  10.384  -2.115
  537   HH11  ARG  67          1HH1      ARG  67 -17.471   7.099  -1.347
  538   HH12  ARG  67          2HH1      ARG  67 -19.087   7.326  -1.942
  539   HH21  ARG  67          1HH2      ARG  67 -18.591  10.659  -2.907
  540   HH22  ARG  67          2HH2      ARG  67 -19.716   9.335  -2.853
  541    H    LYS  68           H        LYS  68 -13.747   8.230   2.854
  542    HA   LYS  68           HA       LYS  68 -15.282  10.369   4.078
  543    HB2  LYS  68           2HB      LYS  68 -15.110   7.463   4.907
  544    HB3  LYS  68           1HB      LYS  68 -16.285   8.642   5.474
  545    HG2  LYS  68           2HG      LYS  68 -16.830   8.827   2.902
  546    HG3  LYS  68           1HG      LYS  68 -16.127   7.209   2.878
  547    HD2  LYS  68           2HD      LYS  68 -18.479   8.148   4.517
  548    HD3  LYS  68           1HD      LYS  68 -18.513   7.034   3.153
  549    HE2  LYS  68           2HE      LYS  68 -17.163   6.537   5.805
  550    HE3  LYS  68           1HE      LYS  68 -18.714   5.870   5.300
  551    HZ1  LYS  68           3HZ      LYS  68 -17.192   4.187   4.883
  552    HZ2  LYS  68           1HZ      LYS  68 -16.015   5.242   4.272
  553    HZ3  LYS  68           2HZ      LYS  68 -17.400   4.896   3.358
  554    H    GLY  69           H        GLY  69 -15.266  10.615   6.471
  555    HA2  GLY  69           2HA      GLY  69 -13.953  10.440   8.519
  556    HA3  GLY  69           1HA      GLY  69 -12.512  10.316   7.512
  557    H    HIS  70           H        HIS  70 -14.797  12.477   6.335
  558    HA   HIS  70           HA       HIS  70 -14.211  14.799   7.792
  559    HB2  HIS  70           2HB      HIS  70 -12.848  16.018   6.066
  560    HB3  HIS  70           1HB      HIS  70 -11.979  14.761   6.928
  561    HD1  HIS  70           1HD      HIS  70 -13.049  15.807   3.535
  562    HD2  HIS  70           2HD      HIS  70 -11.311  12.490   5.356
  563    HE1  HIS  70           1HE      HIS  70 -12.094  14.422   1.662
  564    HE2  HIS  70           2HE      HIS  70 -11.188  12.349   2.778
  565    H    SER  71           H        SER  71 -14.881  13.616   4.504
  566    HA   SER  71           HA       SER  71 -17.072  15.547   4.349
  567    HB2  SER  71           2HB      SER  71 -17.120  14.569   1.905
  568    HB3  SER  71           1HB      SER  71 -15.896  15.755   2.362
  569    HG   SER  71           HG       SER  71 -14.776  14.147   1.400
  570    H    GLU  72           H        GLU  72 -18.310  14.369   5.896
  571    HA   GLU  72           HA       GLU  72 -19.002  11.615   5.375
  572    HB2  GLU  72           2HB      GLU  72 -20.241  13.432   7.442
  573    HB3  GLU  72           1HB      GLU  72 -20.121  11.677   7.474
  574    HG2  GLU  72           2HG      GLU  72 -17.832  13.615   7.730
  575    HG3  GLU  72           1HG      GLU  72 -18.572  12.694   9.038
  576    H    GLY  73           H        GLY  73 -20.524  14.774   5.261
  577    HA2  GLY  73           2HA      GLY  73 -22.558  13.670   3.459
  578    HA3  GLY  73           1HA      GLY  73 -23.087  14.597   4.859
  579    H    GLY  74           H        GLY  74 -23.921  15.616   2.591
  580    HA2  GLY  74           2HA      GLY  74 -22.692  18.162   2.482
  581    HA3  GLY  74           1HA      GLY  74 -22.207  17.208   1.087
  Start of MODEL    5
    1    H1   VAL   1           1HT      VAL   1  11.821  -3.506   3.841
    2    H2   VAL   1           2HT      VAL   1  11.489  -3.345   5.498
    3    H3   VAL   1           3HT      VAL   1  13.087  -3.259   4.939
    4    HA   VAL   1           HA       VAL   1  12.698  -1.218   3.826
    5    HB   VAL   1           HB       VAL   1  10.268  -1.915   3.287
    6   HG11  VAL   1          2HG1      VAL   1   8.529  -1.034   4.729
    7   HG12  VAL   1          3HG1      VAL   1   9.743  -0.497   5.893
    8   HG13  VAL   1          1HG1      VAL   1   9.514  -2.220   5.585
    9   HG21  VAL   1          1HG2      VAL   1  11.256   0.189   2.541
   10   HG22  VAL   1          2HG2      VAL   1  10.807   0.949   4.068
   11   HG23  VAL   1          3HG2      VAL   1   9.554   0.390   2.955
   12    H    ASP   2           H        ASP   2  12.447   0.922   4.988
   13    HA   ASP   2           HA       ASP   2  13.104   0.663   7.777
   14    HB2  ASP   2           2HB      ASP   2  14.176   2.420   6.459
   15    HB3  ASP   2           1HB      ASP   2  12.606   3.131   6.094
   16    H    MET   3           H        MET   3  11.808   1.039   9.515
   17    HA   MET   3           HA       MET   3   8.949   1.116   8.886
   18    HB2  MET   3           2HB      MET   3  10.305   0.248  11.434
   19    HB3  MET   3           1HB      MET   3   8.625   0.007  10.995
   20    HG2  MET   3           2HG      MET   3  11.017  -1.241   9.672
   21    HG3  MET   3           1HG      MET   3   9.872  -2.044  10.737
   22    HE1  MET   3           3HE      MET   3   6.601  -1.999   8.544
   23    HE2  MET   3           1HE      MET   3   7.102  -0.799   9.737
   24    HE3  MET   3           2HE      MET   3   7.316  -2.516  10.072
   25    H    SER   4           H        SER   4  11.035   3.437   9.589
   26    HA   SER   4           HA       SER   4   9.546   4.556  11.845
   27    HB2  SER   4           2HB      SER   4  11.292   6.227  12.025
   28    HB3  SER   4           1HB      SER   4  12.024   4.626  11.947
   29    HG   SER   4           HG       SER   4  12.287   5.071   9.621
   30    H    ASN   5           H        ASN   5   9.960   4.920   8.435
   31    HA   ASN   5           HA       ASN   5   8.537   7.480   8.502
   32    HB2  ASN   5           2HB      ASN   5   9.134   7.610   6.077
   33    HB3  ASN   5           1HB      ASN   5  10.496   7.634   7.183
   34   HD21  ASN   5          1HD2      ASN   5   8.882   4.621   6.541
   35   HD22  ASN   5          2HD2      ASN   5  10.142   3.932   5.585
   36    H    VAL   6           H        VAL   6   7.506   4.570   8.683
   37    HA   VAL   6           HA       VAL   6   5.579   4.830   6.473
   38    HB   VAL   6           HB       VAL   6   6.974   2.810   6.389
   39   HG11  VAL   6          1HG1      VAL   6   6.657   0.994   7.976
   40   HG12  VAL   6          2HG1      VAL   6   5.595   2.016   8.945
   41   HG13  VAL   6          3HG1      VAL   6   7.301   2.430   8.774
   42   HG21  VAL   6          3HG2      VAL   6   5.158   1.225   6.020
   43   HG22  VAL   6          1HG2      VAL   6   4.763   2.826   5.388
   44   HG23  VAL   6          2HG2      VAL   6   4.059   2.280   6.910
   45    H    VAL   7           H        VAL   7   3.497   5.128   6.874
   46    HA   VAL   7           HA       VAL   7   2.618   5.084   9.669
   47    HB   VAL   7           HB       VAL   7   0.554   6.244   8.837
   48   HG11  VAL   7          1HG1      VAL   7   2.359   7.497   9.845
   49   HG12  VAL   7          2HG1      VAL   7   1.666   8.415   8.506
   50   HG13  VAL   7          3HG1      VAL   7   3.203   7.573   8.300
   51   HG21  VAL   7          3HG2      VAL   7   2.116   6.503   6.269
   52   HG22  VAL   7          1HG2      VAL   7   0.560   7.253   6.633
   53   HG23  VAL   7          2HG2      VAL   7   0.675   5.499   6.489
   54    H    LYS   8           H        LYS   8   2.223   3.335   6.722
   55    HA   LYS   8           HA       LYS   8   0.739   1.315   8.115
   56    HB2  LYS   8           2HB      LYS   8  -1.084   2.851   7.442
   57    HB3  LYS   8           1HB      LYS   8  -0.593   2.669   5.761
   58    HG2  LYS   8           2HG      LYS   8  -2.497   1.258   6.226
   59    HG3  LYS   8           1HG      LYS   8  -1.073   0.261   5.903
   60    HD2  LYS   8           2HD      LYS   8  -0.732   0.066   8.362
   61    HD3  LYS   8           1HD      LYS   8  -2.257   0.918   8.599
   62    HE2  LYS   8           2HE      LYS   8  -3.455  -0.844   7.450
   63    HE3  LYS   8           1HE      LYS   8  -1.939  -1.673   7.087
   64    HZ1  LYS   8           3HZ      LYS   8  -1.581  -1.882   9.507
   65    HZ2  LYS   8           1HZ      LYS   8  -2.958  -2.710   8.967
   66    HZ3  LYS   8           2HZ      LYS   8  -3.125  -1.229   9.775
   67    H    THR   9           H        THR   9   1.032  -0.637   7.271
   68    HA   THR   9           HA       THR   9   2.321  -0.830   4.639
   69    HB   THR   9           HB       THR   9   3.025  -2.183   7.216
   70    HG1  THR   9           1HG      THR   9   4.359  -0.553   6.936
   71   HG21  THR   9          3HG2      THR   9   2.781  -3.993   5.571
   72   HG22  THR   9          1HG2      THR   9   4.468  -3.743   6.017
   73   HG23  THR   9          2HG2      THR   9   3.863  -3.131   4.477
   74    H    TYR  10           H        TYR  10   1.665  -2.446   3.321
   75    HA   TYR  10           HA       TYR  10  -0.574  -4.106   4.239
   76    HB2  TYR  10           2HB      TYR  10  -0.280  -2.501   1.738
   77    HB3  TYR  10           1HB      TYR  10  -1.286  -3.952   1.751
   78    HD1  TYR  10           2HD      TYR  10  -2.938  -4.122   3.733
   79    HD2  TYR  10           1HD      TYR  10  -1.258  -0.484   2.338
   80    HE1  TYR  10           2HE      TYR  10  -4.760  -2.902   4.795
   81    HE2  TYR  10           1HE      TYR  10  -3.083   0.777   3.405
   82    HH   TYR  10           HH       TYR  10  -5.272  -0.687   5.631
   83    H    ASP  11           H        ASP  11  -0.587  -6.092   3.857
   84    HA   ASP  11           HA       ASP  11   1.728  -7.221   2.460
   85    HB2  ASP  11           2HB      ASP  11   1.254  -7.911   4.855
   86    HB3  ASP  11           1HB      ASP  11  -0.182  -8.728   4.241
   87    H    LEU  12           H        LEU  12   1.507  -8.237   0.694
   88    HA   LEU  12           HA       LEU  12  -0.972  -7.984  -0.718
   89    HB2  LEU  12           2HB      LEU  12   1.822  -8.760  -1.464
   90    HB3  LEU  12           1HB      LEU  12   0.496  -9.038  -2.586
   91    HG   LEU  12           HG       LEU  12  -0.076  -6.659  -2.504
   92   HD11  LEU  12          1HD1      LEU  12   1.341  -5.027  -1.492
   93   HD12  LEU  12          2HD1      LEU  12   2.398  -6.296  -0.875
   94   HD13  LEU  12          3HD1      LEU  12   0.743  -6.157  -0.276
   95   HD21  LEU  12          3HD2      LEU  12   1.622  -7.688  -4.123
   96   HD22  LEU  12          1HD2      LEU  12   2.818  -6.813  -3.170
   97   HD23  LEU  12          2HD2      LEU  12   1.539  -5.931  -3.996
   98    H    GLN  13           H        GLN  13   0.293 -10.445   1.147
   99    HA   GLN  13           HA       GLN  13  -0.946 -12.280   1.827
  100    HB2  GLN  13           2HB      GLN  13  -2.987 -11.490   0.717
  101    HB3  GLN  13           1HB      GLN  13  -2.383 -12.093  -0.820
  102    HG2  GLN  13           2HG      GLN  13  -2.326 -14.380   0.217
  103    HG3  GLN  13           1HG      GLN  13  -3.186 -13.693   1.595
  104   HE21  GLN  13          1HE2      GLN  13  -3.369 -14.538  -1.775
  105   HE22  GLN  13          2HE2      GLN  13  -5.093 -14.474  -1.905
  106    H    ASP  14           H        ASP  14   0.510 -11.938  -1.312
  107    HA   ASP  14           HA       ASP  14   1.225 -14.780  -1.348
  108    HB2  ASP  14           2HB      ASP  14   1.412 -12.617  -3.442
  109    HB3  ASP  14           1HB      ASP  14   2.239 -14.161  -3.618
  110    H    GLY  15           H        GLY  15   2.342 -11.806  -0.372
  111    HA2  GLY  15           2HA      GLY  15   4.336 -12.432   1.151
  112    HA3  GLY  15           1HA      GLY  15   5.106 -12.759  -0.382
  113    H    SER  16           H        SER  16   3.916 -10.474  -1.757
  114    HA   SER  16           HA       SER  16   6.083  -8.740  -1.093
  115    HB2  SER  16           2HB      SER  16   3.816  -8.199  -3.007
  116    HB3  SER  16           1HB      SER  16   5.411  -7.456  -3.010
  117    HG   SER  16           HG       SER  16   4.586  -9.880  -4.013
  118    H    LYS  17           H        LYS  17   5.779  -6.400  -0.673
  119    HA   LYS  17           HA       LYS  17   3.391  -5.943   0.985
  120    HB2  LYS  17           2HB      LYS  17   6.223  -5.200   1.785
  121    HB3  LYS  17           1HB      LYS  17   4.772  -5.092   2.781
  122    HG2  LYS  17           2HG      LYS  17   4.593  -7.554   2.730
  123    HG3  LYS  17           1HG      LYS  17   6.093  -7.614   1.790
  124    HD2  LYS  17           2HD      LYS  17   7.309  -6.587   3.615
  125    HD3  LYS  17           1HD      LYS  17   5.821  -6.433   4.554
  126    HE2  LYS  17           2HE      LYS  17   6.984  -9.052   3.608
  127    HE3  LYS  17           1HE      LYS  17   7.245  -8.369   5.210
  128    HZ1  LYS  17           3HZ      LYS  17   4.878  -8.476   5.622
  129    HZ2  LYS  17           1HZ      LYS  17   5.463 -10.012   5.206
  130    HZ3  LYS  17           2HZ      LYS  17   4.592  -9.102   4.073
  131    H    VAL  18           H        VAL  18   2.644  -3.898   1.089
  132    HA   VAL  18           HA       VAL  18   4.031  -1.838  -0.519
  133    HB   VAL  18           HB       VAL  18   1.080  -2.417  -0.147
  134   HG11  VAL  18          1HG1      VAL  18   2.317   0.091  -1.315
  135   HG12  VAL  18          2HG1      VAL  18   1.354  -0.011   0.161
  136   HG13  VAL  18          3HG1      VAL  18   0.608  -0.336  -1.405
  137   HG21  VAL  18          3HG2      VAL  18   2.292  -3.577  -1.961
  138   HG22  VAL  18          1HG2      VAL  18   2.736  -2.014  -2.644
  139   HG23  VAL  18          2HG2      VAL  18   1.040  -2.495  -2.568
  140    H    HIS  19           H        HIS  19   4.236   0.208   0.424
  141    HA   HIS  19           HA       HIS  19   3.086   0.466   3.120
  142    HB2  HIS  19           2HB      HIS  19   5.749   1.662   2.443
  143    HB3  HIS  19           1HB      HIS  19   5.049   1.357   4.025
  144    HD1  HIS  19           1HD      HIS  19   4.502  -1.568   4.042
  145    HD2  HIS  19           2HD      HIS  19   7.846   0.086   2.273
  146    HE1  HIS  19           1HE      HIS  19   6.128  -3.469   3.794
  147    HE2  HIS  19           2HE      HIS  19   8.183  -2.445   2.765
  148    H    VAL  20           H        VAL  20   2.023   2.212   3.506
  149    HA   VAL  20           HA       VAL  20   2.247   4.481   1.677
  150    HB   VAL  20           HB       VAL  20   0.355   4.064   4.007
  151   HG11  VAL  20          1HG1      VAL  20   0.806   6.428   3.516
  152   HG12  VAL  20          2HG1      VAL  20  -0.853   5.987   3.108
  153   HG13  VAL  20          3HG1      VAL  20   0.353   6.162   1.832
  154   HG21  VAL  20          3HG2      VAL  20  -1.357   3.629   2.344
  155   HG22  VAL  20          1HG2      VAL  20  -0.032   2.480   2.160
  156   HG23  VAL  20          2HG2      VAL  20  -0.180   3.841   1.046
  157    H    PHE  21           H        PHE  21   3.772   5.890   2.176
  158    HA   PHE  21           HA       PHE  21   5.049   5.641   4.756
  159    HB2  PHE  21           2HB      PHE  21   5.773   7.128   2.238
  160    HB3  PHE  21           1HB      PHE  21   6.715   7.250   3.721
  161    HD1  PHE  21           2HD      PHE  21   8.014   5.314   4.543
  162    HD2  PHE  21           1HD      PHE  21   5.802   5.132   0.905
  163    HE1  PHE  21           2HE      PHE  21   9.219   3.277   3.904
  164    HE2  PHE  21           1HE      PHE  21   7.013   3.094   0.271
  165    HZ   PHE  21           HZ       PHE  21   8.783   2.182   1.824
  166    H    LYS  22           H        LYS  22   5.638   7.464   6.016
  167    HA   LYS  22           HA       LYS  22   3.397   8.914   6.840
  168    HB2  LYS  22           2HB      LYS  22   4.912   9.958   8.423
  169    HB3  LYS  22           1HB      LYS  22   5.319   8.254   8.255
  170    HG2  LYS  22           2HG      LYS  22   7.180   8.737   6.898
  171    HG3  LYS  22           1HG      LYS  22   6.747  10.444   6.803
  172    HD2  LYS  22           2HD      LYS  22   7.092  10.657   9.224
  173    HD3  LYS  22           1HD      LYS  22   7.533   8.951   9.306
  174    HE2  LYS  22           2HE      LYS  22   9.526  10.332   9.301
  175    HE3  LYS  22           1HE      LYS  22   9.436   9.385   7.818
  176    HZ1  LYS  22           3HZ      LYS  22   8.555  12.208   8.026
  177    HZ2  LYS  22           1HZ      LYS  22   8.724  11.292   6.607
  178    HZ3  LYS  22           2HZ      LYS  22  10.096  11.741   7.500
  179    H    ASP  23           H        ASP  23   5.705   9.626   4.414
  180    HA   ASP  23           HA       ASP  23   5.151  12.475   4.449
  181    HB2  ASP  23           2HB      ASP  23   7.131  10.842   2.849
  182    HB3  ASP  23           1HB      ASP  23   6.953  12.590   2.732
  183    H    GLY  24           H        GLY  24   3.648   9.895   3.404
  184    HA2  GLY  24           2HA      GLY  24   1.720  10.021   2.177
  185    HA3  GLY  24           1HA      GLY  24   2.318  11.476   1.425
  186    H    LYS  25           H        LYS  25   4.872   9.537   0.995
  187    HA   LYS  25           HA       LYS  25   3.972   8.737  -1.616
  188    HB2  LYS  25           2HB      LYS  25   6.609   8.878  -0.230
  189    HB3  LYS  25           1HB      LYS  25   6.437   7.842  -1.641
  190    HG2  LYS  25           2HG      LYS  25   7.189   9.829  -2.517
  191    HG3  LYS  25           1HG      LYS  25   5.461   9.906  -2.795
  192    HD2  LYS  25           2HD      LYS  25   6.120  12.046  -2.022
  193    HD3  LYS  25           1HD      LYS  25   5.307  11.255  -0.669
  194    HE2  LYS  25           2HE      LYS  25   7.295  10.895   0.481
  195    HE3  LYS  25           1HE      LYS  25   8.278  11.075  -0.974
  196    HZ1  LYS  25           3HZ      LYS  25   7.802  13.425  -0.993
  197    HZ2  LYS  25           1HZ      LYS  25   8.457  12.997   0.507
  198    HZ3  LYS  25           2HZ      LYS  25   6.791  13.284   0.360
  199    H    MET  26           H        MET  26   4.984   6.470  -2.279
  200    HA   MET  26           HA       MET  26   4.264   4.502  -0.248
  201    HB2  MET  26           2HB      MET  26   3.149   4.549  -3.058
  202    HB3  MET  26           1HB      MET  26   2.942   3.236  -1.911
  203    HG2  MET  26           2HG      MET  26   0.948   4.376  -1.754
  204    HG3  MET  26           1HG      MET  26   1.868   5.016  -0.398
  205    HE1  MET  26           3HE      MET  26   0.680   5.707  -4.101
  206    HE2  MET  26           1HE      MET  26   2.431   5.893  -4.179
  207    HE3  MET  26           2HE      MET  26   1.383   7.298  -4.384
  208    H    GLY  27           H        GLY  27   5.201   2.495  -0.516
  209    HA2  GLY  27           2HA      GLY  27   7.050   2.137  -2.761
  210    HA3  GLY  27           1HA      GLY  27   7.697   2.080  -1.126
  211    H    MET  28           H        MET  28   7.619  -0.002  -3.165
  212    HA   MET  28           HA       MET  28   5.877  -1.947  -1.818
  213    HB2  MET  28           2HB      MET  28   5.116  -1.499  -4.087
  214    HB3  MET  28           1HB      MET  28   6.725  -1.811  -4.720
  215    HG2  MET  28           2HG      MET  28   6.544  -4.146  -4.039
  216    HG3  MET  28           1HG      MET  28   4.934  -3.835  -3.393
  217    HE1  MET  28           3HE      MET  28   4.347  -6.010  -6.650
  218    HE2  MET  28           1HE      MET  28   4.148  -5.945  -4.900
  219    HE3  MET  28           2HE      MET  28   5.760  -6.105  -5.599
  220    H    GLU  29           H        GLU  29   6.733  -3.896  -1.251
  221    HA   GLU  29           HA       GLU  29   9.515  -4.468  -2.036
  222    HB2  GLU  29           2HB      GLU  29   8.107  -4.842   0.597
  223    HB3  GLU  29           1HB      GLU  29   9.425  -5.913   0.145
  224    HG2  GLU  29           2HG      GLU  29  10.955  -4.101   0.027
  225    HG3  GLU  29           1HG      GLU  29   9.659  -2.920   0.234
  226    H    ASN  30           H        ASN  30   9.901  -6.622  -2.656
  227    HA   ASN  30           HA       ASN  30   7.461  -8.081  -3.286
  228    HB2  ASN  30           2HB      ASN  30   8.689  -9.391  -4.793
  229    HB3  ASN  30           1HB      ASN  30   9.383  -7.787  -4.958
  230   HD21  ASN  30          1HD2      ASN  30  10.878  -8.103  -2.411
  231   HD22  ASN  30          2HD2      ASN  30  12.207  -9.138  -2.814
  232    H    LYS  31           H        LYS  31   7.387 -10.438  -2.810
  233    HA   LYS  31           HA       LYS  31   7.451 -10.994  -0.167
  234    HB2  LYS  31           2HB      LYS  31   6.992 -13.230  -0.685
  235    HB3  LYS  31           1HB      LYS  31   6.398 -12.310  -2.056
  236    HG2  LYS  31           2HG      LYS  31   8.391 -12.893  -3.331
  237    HG3  LYS  31           1HG      LYS  31   9.011 -13.800  -1.951
  238    HD2  LYS  31           2HD      LYS  31   8.053 -15.451  -3.278
  239    HD3  LYS  31           1HD      LYS  31   6.791 -15.104  -2.093
  240    HE2  LYS  31           2HE      LYS  31   5.799 -15.256  -4.276
  241    HE3  LYS  31           1HE      LYS  31   5.729 -13.584  -3.725
  242    HZ1  LYS  31           3HZ      LYS  31   7.714 -13.139  -5.091
  243    HZ2  LYS  31           1HZ      LYS  31   6.390 -13.654  -6.013
  244    HZ3  LYS  31           2HZ      LYS  31   7.651 -14.732  -5.675
  245    H    PHE  32           H        PHE  32  10.266 -10.728  -2.007
  246    HA   PHE  32           HA       PHE  32  11.780 -12.500  -0.251
  247    HB2  PHE  32           2HB      PHE  32  12.609 -11.039  -2.768
  248    HB3  PHE  32           1HB      PHE  32  13.668 -12.081  -1.819
  249    HD1  PHE  32           1HD      PHE  32  13.353 -14.485  -1.798
  250    HD2  PHE  32           2HD      PHE  32  10.848 -11.967  -4.132
  251    HE1  PHE  32           1HE      PHE  32  12.595 -16.442  -3.076
  252    HE2  PHE  32           2HE      PHE  32  10.068 -13.923  -5.409
  253    HZ   PHE  32           HZ       PHE  32  10.841 -16.163  -4.820
  254    H    GLY  33           H        GLY  33  10.656  -9.495   0.026
  255    HA2  GLY  33           2HA      GLY  33  11.106  -8.041   1.722
  256    HA3  GLY  33           1HA      GLY  33  12.514  -8.998   2.132
  257    H    LYS  34           H        LYS  34  12.145  -7.769  -1.098
  258    HA   LYS  34           HA       LYS  34  14.175  -5.737  -0.420
  259    HB2  LYS  34           2HB      LYS  34  15.252  -6.021  -2.521
  260    HB3  LYS  34           1HB      LYS  34  15.021  -7.627  -1.856
  261    HG2  LYS  34           2HG      LYS  34  14.370  -8.049  -3.970
  262    HG3  LYS  34           1HG      LYS  34  12.820  -7.484  -3.350
  263    HD2  LYS  34           2HD      LYS  34  13.392  -5.205  -4.167
  264    HD3  LYS  34           1HD      LYS  34  14.851  -5.877  -4.896
  265    HE2  LYS  34           2HE      LYS  34  12.026  -6.711  -5.542
  266    HE3  LYS  34           1HE      LYS  34  13.021  -5.632  -6.520
  267    HZ1  LYS  34           3HZ      LYS  34  13.686  -8.463  -5.891
  268    HZ2  LYS  34           1HZ      LYS  34  14.574  -7.426  -6.896
  269    HZ3  LYS  34           2HZ      LYS  34  13.018  -7.919  -7.352
  270    H    SER  35           H        SER  35  14.126  -3.771  -1.499
  271    HA   SER  35           HA       SER  35  11.392  -2.886  -1.756
  272    HB2  SER  35           2HB      SER  35  12.544  -0.596  -1.816
  273    HB3  SER  35           1HB      SER  35  12.667  -1.544  -0.334
  274    HG   SER  35           HG       SER  35  14.663  -0.529  -1.309
  275    H    MET  36           H        MET  36  10.427  -1.995  -3.467
  276    HA   MET  36           HA       MET  36  11.877  -1.554  -5.950
  277    HB2  MET  36           2HB      MET  36  10.173  -2.972  -7.183
  278    HB3  MET  36           1HB      MET  36  11.345  -3.866  -6.223
  279    HG2  MET  36           2HG      MET  36   9.673  -4.058  -4.420
  280    HG3  MET  36           1HG      MET  36   8.503  -3.240  -5.452
  281    HE1  MET  36           3HE      MET  36   7.822  -5.794  -8.262
  282    HE2  MET  36           1HE      MET  36   8.873  -4.378  -8.285
  283    HE3  MET  36           2HE      MET  36   7.304  -4.302  -7.478
  284    H    ASN  37           H        ASN  37  10.159  -0.788  -7.665
  285    HA   ASN  37           HA       ASN  37   8.407   1.108  -6.296
  286    HB2  ASN  37           2HB      ASN  37   8.133   2.116  -8.599
  287    HB3  ASN  37           1HB      ASN  37   9.756   2.190  -7.928
  288   HD21  ASN  37          1HD2      ASN  37  11.390   1.039  -8.868
  289   HD22  ASN  37          2HD2      ASN  37  11.232   0.264 -10.410
  290    H    MET  38           H        MET  38   6.218   1.399  -6.965
  291    HA   MET  38           HA       MET  38   4.991  -1.209  -7.393
  292    HB2  MET  38           2HB      MET  38   4.294   0.131  -5.448
  293    HB3  MET  38           1HB      MET  38   3.774   1.420  -6.523
  294    HG2  MET  38           2HG      MET  38   2.059  -0.009  -7.459
  295    HG3  MET  38           1HG      MET  38   2.611  -1.357  -6.465
  296    HE1  MET  38           3HE      MET  38  -0.845  -0.440  -4.861
  297    HE2  MET  38           1HE      MET  38   0.112  -1.690  -5.654
  298    HE3  MET  38           2HE      MET  38  -0.445  -0.291  -6.571
  299    HA   PRO  39           HA       PRO  39   4.008  -0.199 -11.609
  300    HB2  PRO  39           2HB      PRO  39   2.227  -2.243 -12.000
  301    HB3  PRO  39           1HB      PRO  39   3.979  -2.423 -12.102
  302    HG2  PRO  39           2HG      PRO  39   2.128  -3.108  -9.863
  303    HG3  PRO  39           1HG      PRO  39   3.556  -3.984 -10.448
  304    HD2  PRO  39           2HD      PRO  39   3.582  -2.433  -8.217
  305    HD3  PRO  39           1HD      PRO  39   5.009  -2.658  -9.248
  306    H    GLU  40           H        GLU  40   2.787   1.510 -11.939
  307    HA   GLU  40           HA       GLU  40   0.344   1.983 -10.534
  308    HB2  GLU  40           2HB      GLU  40   1.801   3.840 -11.141
  309    HB3  GLU  40           1HB      GLU  40   1.627   3.452 -12.846
  310    HG2  GLU  40           2HG      GLU  40  -0.696   4.050 -12.798
  311    HG3  GLU  40           1HG      GLU  40  -0.639   4.290 -11.052
  312    H    GLY  41           H        GLY  41  -1.703   1.588 -11.150
  313    HA2  GLY  41           2HA      GLY  41  -3.301   1.674 -13.014
  314    HA3  GLY  41           1HA      GLY  41  -2.129   0.771 -13.957
  315    H    LYS  42           H        LYS  42  -1.869  -0.701 -11.084
  316    HA   LYS  42           HA       LYS  42  -4.069  -2.562 -11.725
  317    HB2  LYS  42           2HB      LYS  42  -1.304  -3.213 -10.738
  318    HB3  LYS  42           1HB      LYS  42  -2.622  -4.373 -10.823
  319    HG2  LYS  42           2HG      LYS  42  -2.735  -3.753 -13.313
  320    HG3  LYS  42           1HG      LYS  42  -1.137  -3.049 -13.058
  321    HD2  LYS  42           2HD      LYS  42  -1.929  -5.907 -12.508
  322    HD3  LYS  42           1HD      LYS  42  -0.970  -5.342 -13.876
  323    HE2  LYS  42           2HE      LYS  42   0.780  -4.587 -12.364
  324    HE3  LYS  42           1HE      LYS  42  -0.187  -5.081 -10.973
  325    HZ1  LYS  42           3HZ      LYS  42  -0.033  -7.363 -11.674
  326    HZ2  LYS  42           1HZ      LYS  42   1.528  -6.708 -11.574
  327    HZ3  LYS  42           2HZ      LYS  42   0.798  -6.920 -13.090
  328    H    VAL  43           H        VAL  43  -5.256  -3.410 -10.137
  329    HA   VAL  43           HA       VAL  43  -4.740  -2.426  -7.425
  330    HB   VAL  43           HB       VAL  43  -7.006  -1.963  -8.314
  331   HG11  VAL  43          1HG1      VAL  43  -7.304  -3.895  -9.748
  332   HG12  VAL  43          2HG1      VAL  43  -8.622  -3.775  -8.579
  333   HG13  VAL  43          3HG1      VAL  43  -7.332  -4.955  -8.340
  334   HG21  VAL  43          3HG2      VAL  43  -6.702  -2.168  -5.918
  335   HG22  VAL  43          1HG2      VAL  43  -6.954  -3.912  -6.016
  336   HG23  VAL  43          2HG2      VAL  43  -8.276  -2.808  -6.393
  337    H    MET  44           H        MET  44  -4.311  -3.795  -5.775
  338    HA   MET  44           HA       MET  44  -4.165  -6.663  -6.419
  339    HB2  MET  44           2HB      MET  44  -2.050  -5.014  -5.017
  340    HB3  MET  44           1HB      MET  44  -2.040  -6.770  -5.102
  341    HG2  MET  44           2HG      MET  44  -1.904  -6.648  -7.541
  342    HG3  MET  44           1HG      MET  44  -1.903  -4.889  -7.451
  343    HE1  MET  44           3HE      MET  44   0.090  -3.463  -6.369
  344    HE2  MET  44           1HE      MET  44   1.495  -4.197  -5.599
  345    HE3  MET  44           2HE      MET  44  -0.104  -4.382  -4.876
  346    H    GLU  45           H        GLU  45  -4.101  -8.039  -4.484
  347    HA   GLU  45           HA       GLU  45  -5.904  -6.904  -2.489
  348    HB2  GLU  45           2HB      GLU  45  -5.461  -9.670  -3.535
  349    HB3  GLU  45           1HB      GLU  45  -6.162  -9.452  -1.933
  350    HG2  GLU  45           2HG      GLU  45  -8.028  -8.332  -2.773
  351    HG3  GLU  45           1HG      GLU  45  -7.270  -8.060  -4.345
  352    H    THR  46           H        THR  46  -5.773  -7.742  -0.336
  353    HA   THR  46           HA       THR  46  -2.981  -7.981   0.595
  354    HB   THR  46           HB       THR  46  -3.746  -6.808   2.647
  355    HG1  THR  46           1HG      THR  46  -6.026  -5.979   1.206
  356   HG21  THR  46          3HG2      THR  46  -2.634  -5.569   0.829
  357   HG22  THR  46          1HG2      THR  46  -3.823  -4.572   1.667
  358   HG23  THR  46          2HG2      THR  46  -4.207  -5.262   0.091
  359    H    ARG  47           H        ARG  47  -2.711  -9.083   2.667
  360    HA   ARG  47           HA       ARG  47  -3.928 -11.552   2.860
  361    HB2  ARG  47           2HB      ARG  47  -2.406  -9.876   4.815
  362    HB3  ARG  47           1HB      ARG  47  -3.140 -11.382   5.345
  363    HG2  ARG  47           2HG      ARG  47  -1.894 -12.563   3.571
  364    HG3  ARG  47           1HG      ARG  47  -1.094 -11.038   3.174
  365    HD2  ARG  47           2HD      ARG  47   0.299 -11.188   4.915
  366    HD3  ARG  47           1HD      ARG  47  -0.987 -11.698   6.011
  367    HE   ARG  47           HE       ARG  47  -0.686 -13.965   5.132
  368   HH11  ARG  47          1HH1      ARG  47   1.892 -11.670   4.479
  369   HH12  ARG  47          2HH1      ARG  47   3.127 -12.893   4.434
  370   HH21  ARG  47          1HH2      ARG  47   0.922 -15.558   5.058
  371   HH22  ARG  47          2HH2      ARG  47   2.577 -15.110   4.765
  372    H    ASP  48           H        ASP  48  -5.153  -8.499   4.048
  373    HA   ASP  48           HA       ASP  48  -6.909  -9.903   5.917
  374    HB2  ASP  48           2HB      ASP  48  -7.448  -7.715   6.853
  375    HB3  ASP  48           1HB      ASP  48  -5.709  -7.988   6.822
  376    H    GLY  49           H        GLY  49  -7.029  -8.891   2.736
  377    HA2  GLY  49           2HA      GLY  49  -8.899  -9.623   1.478
  378    HA3  GLY  49           1HA      GLY  49  -9.914  -9.358   2.882
  379    H    THR  50           H        THR  50  -7.706  -6.805   2.060
  380    HA   THR  50           HA       THR  50  -9.950  -5.407   0.770
  381    HB   THR  50           HB       THR  50  -9.213  -4.364   2.930
  382    HG1  THR  50           1HG      THR  50 -10.170  -3.157   1.149
  383   HG21  THR  50          3HG2      THR  50  -7.128  -3.048   2.922
  384   HG22  THR  50          1HG2      THR  50  -6.691  -3.774   1.373
  385   HG23  THR  50          2HG2      THR  50  -6.817  -4.783   2.815
  386    H    LYS  51           H        LYS  51  -9.090  -3.605  -0.748
  387    HA   LYS  51           HA       LYS  51  -6.968  -4.820  -2.388
  388    HB2  LYS  51           2HB      LYS  51  -9.424  -3.465  -3.514
  389    HB3  LYS  51           1HB      LYS  51  -8.222  -4.411  -4.378
  390    HG2  LYS  51           2HG      LYS  51  -8.961  -6.418  -3.128
  391    HG3  LYS  51           1HG      LYS  51 -10.239  -5.445  -2.394
  392    HD2  LYS  51           2HD      LYS  51 -10.950  -4.891  -4.782
  393    HD3  LYS  51           1HD      LYS  51  -9.884  -6.203  -5.282
  394    HE2  LYS  51           2HE      LYS  51 -12.261  -6.419  -3.435
  395    HE3  LYS  51           1HE      LYS  51 -12.170  -6.997  -5.094
  396    HZ1  LYS  51           3HZ      LYS  51 -10.225  -8.409  -4.222
  397    HZ2  LYS  51           1HZ      LYS  51 -11.804  -8.887  -3.837
  398    HZ3  LYS  51           2HZ      LYS  51 -10.855  -8.086  -2.687
  399    H    ILE  52           H        ILE  52  -5.609  -3.403  -3.460
  400    HA   ILE  52           HA       ILE  52  -5.985  -0.527  -3.002
  401    HB   ILE  52           HB       ILE  52  -3.594  -0.307  -2.336
  402   HG12  ILE  52          2HG1      ILE  52  -3.715  -3.319  -2.035
  403   HG13  ILE  52          1HG1      ILE  52  -2.831  -2.465  -3.293
  404   HG21  ILE  52          1HG2      ILE  52  -5.398  -0.315  -0.667
  405   HG22  ILE  52          2HG2      ILE  52  -3.898  -0.984  -0.028
  406   HG23  ILE  52          3HG2      ILE  52  -5.215  -2.061  -0.495
  407   HD11  ILE  52          3HD1      ILE  52  -2.292  -2.327  -0.337
  408   HD12  ILE  52          1HD1      ILE  52  -1.420  -1.428  -1.576
  409   HD13  ILE  52          2HD1      ILE  52  -1.336  -3.189  -1.541
  410    H    ILE  53           H        ILE  53  -4.704   0.830  -4.367
  411    HA   ILE  53           HA       ILE  53  -3.117  -0.355  -6.466
  412    HB   ILE  53           HB       ILE  53  -5.056  -0.737  -7.728
  413   HG12  ILE  53          2HG1      ILE  53  -3.992   1.983  -8.501
  414   HG13  ILE  53          1HG1      ILE  53  -3.453   0.418  -9.095
  415   HG21  ILE  53          1HG2      ILE  53  -6.079   1.951  -6.837
  416   HG22  ILE  53          2HG2      ILE  53  -6.688   0.368  -6.358
  417   HG23  ILE  53          3HG2      ILE  53  -6.871   0.914  -8.024
  418   HD11  ILE  53          3HD1      ILE  53  -4.801   1.624 -10.732
  419   HD12  ILE  53          1HD1      ILE  53  -6.158   1.633  -9.603
  420   HD13  ILE  53          2HD1      ILE  53  -5.558   0.104 -10.247
  421    H    MET  54           H        MET  54  -1.904   1.157  -7.639
  422    HA   MET  54           HA       MET  54  -1.915   3.879  -6.504
  423    HB2  MET  54           2HB      MET  54   0.200   2.697  -6.059
  424    HB3  MET  54           1HB      MET  54   0.372   2.343  -7.773
  425    HG2  MET  54           2HG      MET  54   0.575   4.714  -8.261
  426    HG3  MET  54           1HG      MET  54   0.360   5.094  -6.553
  427    HE1  MET  54           3HE      MET  54   2.594   6.565  -6.695
  428    HE2  MET  54           1HE      MET  54   2.786   6.115  -8.390
  429    HE3  MET  54           2HE      MET  54   4.137   5.934  -7.270
  430    H    LYS  55           H        LYS  55  -2.878   5.217  -7.845
  431    HA   LYS  55           HA       LYS  55  -2.283   5.090 -10.698
  432    HB2  LYS  55           2HB      LYS  55  -4.406   3.765 -10.211
  433    HB3  LYS  55           1HB      LYS  55  -5.132   5.285  -9.712
  434    HG2  LYS  55           2HG      LYS  55  -5.767   4.774 -11.978
  435    HG3  LYS  55           1HG      LYS  55  -4.722   6.196 -11.959
  436    HD2  LYS  55           2HD      LYS  55  -2.815   4.819 -12.606
  437    HD3  LYS  55           1HD      LYS  55  -3.834   3.378 -12.586
  438    HE2  LYS  55           2HE      LYS  55  -4.258   5.772 -14.370
  439    HE3  LYS  55           1HE      LYS  55  -3.450   4.286 -14.859
  440    HZ1  LYS  55           3HZ      LYS  55  -5.820   4.412 -15.509
  441    HZ2  LYS  55           1HZ      LYS  55  -6.249   4.402 -13.869
  442    HZ3  LYS  55           2HZ      LYS  55  -5.462   3.062 -14.544
  443    H    GLY  56           H        GLY  56  -2.298   7.095 -11.652
  444    HA2  GLY  56           2HA      GLY  56  -2.201   9.387 -11.751
  445    HA3  GLY  56           1HA      GLY  56  -3.430   9.416 -10.493
  446    H    ASN  57           H        ASN  57  -0.349   7.808 -10.141
  447    HA   ASN  57           HA       ASN  57   1.384   8.078  -8.704
  448    HB2  ASN  57           2HB      ASN  57   0.706  10.958  -9.247
  449    HB3  ASN  57           1HB      ASN  57   1.995  10.525  -8.129
  450   HD21  ASN  57          1HD2      ASN  57   1.280   8.546 -10.899
  451   HD22  ASN  57          2HD2      ASN  57   2.713   8.944 -11.795
  452    H    GLU  58           H        GLU  58  -1.395   7.839  -7.740
  453    HA   GLU  58           HA       GLU  58  -0.863   8.572  -4.945
  454    HB2  GLU  58           2HB      GLU  58  -3.422   8.966  -6.479
  455    HB3  GLU  58           1HB      GLU  58  -3.405   8.825  -4.729
  456    HG2  GLU  58           2HG      GLU  58  -1.856  10.760  -4.638
  457    HG3  GLU  58           1HG      GLU  58  -2.041  10.935  -6.383
  458    H    ILE  59           H        ILE  59  -2.000   7.239  -3.415
  459    HA   ILE  59           HA       ILE  59  -2.447   4.559  -4.493
  460    HB   ILE  59           HB       ILE  59  -1.066   5.536  -2.167
  461   HG12  ILE  59          2HG1      ILE  59  -0.319   3.859  -3.884
  462   HG13  ILE  59          1HG1      ILE  59  -0.035   3.387  -2.211
  463   HG21  ILE  59          1HG2      ILE  59  -3.183   3.483  -1.567
  464   HG22  ILE  59          2HG2      ILE  59  -3.088   5.115  -0.909
  465   HG23  ILE  59          3HG2      ILE  59  -1.850   3.927  -0.500
  466   HD11  ILE  59          3HD1      ILE  59  -1.996   1.940  -2.284
  467   HD12  ILE  59          1HD1      ILE  59  -0.834   1.519  -3.542
  468   HD13  ILE  59          2HD1      ILE  59  -2.292   2.422  -3.956
  469    H    PHE  60           H        PHE  60  -4.423   3.900  -4.715
  470    HA   PHE  60           HA       PHE  60  -6.620   4.890  -3.106
  471    HB2  PHE  60           2HB      PHE  60  -7.503   4.291  -5.136
  472    HB3  PHE  60           1HB      PHE  60  -6.252   3.103  -5.447
  473    HD1  PHE  60           1HD      PHE  60  -6.482   0.830  -4.599
  474    HD2  PHE  60           2HD      PHE  60  -9.622   3.656  -4.172
  475    HE1  PHE  60           1HE      PHE  60  -8.045  -1.003  -4.221
  476    HE2  PHE  60           2HE      PHE  60 -11.213   1.809  -3.771
  477    HZ   PHE  60           HZ       PHE  60 -10.410  -0.535  -3.811
  478    H    ARG  61           H        ARG  61  -6.613   4.349  -1.108
  479    HA   ARG  61           HA       ARG  61  -5.984   1.574  -0.403
  480    HB2  ARG  61           2HB      ARG  61  -4.300   3.295   0.404
  481    HB3  ARG  61           1HB      ARG  61  -5.579   3.989   1.391
  482    HG2  ARG  61           2HG      ARG  61  -4.898   1.095   1.646
  483    HG3  ARG  61           1HG      ARG  61  -3.895   2.314   2.429
  484    HD2  ARG  61           2HD      ARG  61  -6.876   2.051   2.805
  485    HD3  ARG  61           1HD      ARG  61  -5.670   1.354   3.887
  486    HE   ARG  61           HE       ARG  61  -5.952   4.258   3.416
  487   HH11  ARG  61          1HH1      ARG  61  -5.342   1.515   5.486
  488   HH12  ARG  61          2HH1      ARG  61  -5.057   2.474   6.913
  489   HH21  ARG  61          1HH2      ARG  61  -5.591   5.553   5.294
  490   HH22  ARG  61          2HH2      ARG  61  -5.186   4.776   6.797
  491    H    LEU  62           H        LEU  62  -7.789   0.620   0.171
  492    HA   LEU  62           HA       LEU  62 -10.099   0.352   0.280
  493    HB2  LEU  62           2HB      LEU  62  -9.359   2.278   2.409
  494    HB3  LEU  62           1HB      LEU  62 -11.070   2.109   2.054
  495    HG   LEU  62           HG       LEU  62 -10.493   0.668   3.893
  496   HD11  LEU  62          1HD1      LEU  62 -12.181  -0.100   2.331
  497   HD12  LEU  62          2HD1      LEU  62 -11.262  -1.468   2.966
  498   HD13  LEU  62          3HD1      LEU  62 -10.942  -0.864   1.337
  499   HD21  LEU  62          3HD2      LEU  62  -8.490  -0.600   2.024
  500   HD22  LEU  62          1HD2      LEU  62  -8.886  -1.156   3.649
  501   HD23  LEU  62          2HD2      LEU  62  -8.106   0.410   3.417
  502    H    ASP  63           H        ASP  63  -9.219   3.774   0.150
  503    HA   ASP  63           HA       ASP  63 -10.057   5.574  -0.919
  504    HB2  ASP  63           2HB      ASP  63 -10.581   4.419  -2.916
  505    HB3  ASP  63           1HB      ASP  63 -11.919   3.570  -2.159
  506    H    GLU  64           H        GLU  64 -12.039   3.409   0.823
  507    HA   GLU  64           HA       GLU  64 -13.864   5.441   1.762
  508    HB2  GLU  64           2HB      GLU  64 -14.616   3.118   1.454
  509    HB3  GLU  64           1HB      GLU  64 -13.437   2.569   2.632
  510    HG2  GLU  64           2HG      GLU  64 -15.418   4.594   3.508
  511    HG3  GLU  64           1HG      GLU  64 -15.984   2.947   3.236
  512    H    ALA  65           H        ALA  65 -11.039   3.671   2.958
  513    HA   ALA  65           HA       ALA  65 -10.987   4.656   5.587
  514    HB1  ALA  65           1HB      ALA  65  -9.562   2.802   4.552
  515    HB2  ALA  65           2HB      ALA  65  -8.776   3.864   5.719
  516    HB3  ALA  65           3HB      ALA  65  -8.500   4.093   3.993
  517    H    LEU  66           H        LEU  66  -9.865   5.944   2.575
  518    HA   LEU  66           HA       LEU  66  -8.569   8.244   3.797
  519    HB2  LEU  66           2HB      LEU  66  -8.993   7.579   0.882
  520    HB3  LEU  66           1HB      LEU  66  -7.885   8.773   1.533
  521    HG   LEU  66           HG       LEU  66  -7.574   5.905   2.327
  522   HD11  LEU  66          1HD1      LEU  66  -6.023   5.634   0.405
  523   HD12  LEU  66          2HD1      LEU  66  -6.671   7.133  -0.266
  524   HD13  LEU  66          3HD1      LEU  66  -7.725   5.733  -0.039
  525   HD21  LEU  66          3HD2      LEU  66  -5.621   8.167   1.911
  526   HD22  LEU  66          1HD2      LEU  66  -5.223   6.546   2.480
  527   HD23  LEU  66          2HD2      LEU  66  -6.237   7.601   3.464
  528    H    ARG  67           H        ARG  67 -11.647   7.425   3.141
  529    HA   ARG  67           HA       ARG  67 -12.565   9.763   1.760
  530    HB2  ARG  67           2HB      ARG  67 -13.726   7.626   1.503
  531    HB3  ARG  67           1HB      ARG  67 -14.091   7.605   3.223
  532    HG2  ARG  67           2HG      ARG  67 -16.024   8.291   1.962
  533    HG3  ARG  67           1HG      ARG  67 -15.439   9.628   2.957
  534    HD2  ARG  67           2HD      ARG  67 -14.187  10.426   0.925
  535    HD3  ARG  67           1HD      ARG  67 -15.069   9.213  -0.001
  536    HE   ARG  67           HE       ARG  67 -16.802  10.930   1.501
  537   HH11  ARG  67          1HH1      ARG  67 -15.023  10.559  -1.490
  538   HH12  ARG  67          2HH1      ARG  67 -15.926  11.787  -2.331
  539   HH21  ARG  67          1HH2      ARG  67 -18.023  12.506   0.394
  540   HH22  ARG  67          2HH2      ARG  67 -17.651  12.888  -1.261
  541    H    LYS  68           H        LYS  68 -13.386   8.462   4.966
  542    HA   LYS  68           HA       LYS  68 -13.893  11.219   5.846
  543    HB2  LYS  68           2HB      LYS  68 -15.308  10.095   7.625
  544    HB3  LYS  68           1HB      LYS  68 -15.912   9.994   5.978
  545    HG2  LYS  68           2HG      LYS  68 -15.118   7.725   5.783
  546    HG3  LYS  68           1HG      LYS  68 -14.394   7.812   7.393
  547    HD2  LYS  68           2HD      LYS  68 -16.658   8.233   8.329
  548    HD3  LYS  68           1HD      LYS  68 -17.330   7.990   6.718
  549    HE2  LYS  68           2HE      LYS  68 -15.774   5.954   8.308
  550    HE3  LYS  68           1HE      LYS  68 -17.523   5.980   8.105
  551    HZ1  LYS  68           3HZ      LYS  68 -16.954   5.889   5.605
  552    HZ2  LYS  68           1HZ      LYS  68 -16.830   4.471   6.529
  553    HZ3  LYS  68           2HZ      LYS  68 -15.435   5.337   6.126
  554    H    GLY  69           H        GLY  69 -13.448  11.701   8.113
  555    HA2  GLY  69           2HA      GLY  69 -12.312  10.886  10.168
  556    HA3  GLY  69           1HA      GLY  69 -11.112  10.170   9.099
  557    H    HIS  70           H        HIS  70 -11.560  12.701   7.402
  558    HA   HIS  70           HA       HIS  70 -10.452  14.803   9.002
  559    HB2  HIS  70           2HB      HIS  70  -8.330  15.033   7.831
  560    HB3  HIS  70           1HB      HIS  70  -8.419  13.447   8.580
  561    HD1  HIS  70           1HD      HIS  70  -7.707  15.086   5.416
  562    HD2  HIS  70           2HD      HIS  70  -9.033  11.333   6.624
  563    HE1  HIS  70           1HE      HIS  70  -7.367  13.579   3.440
  564    HE2  HIS  70           2HE      HIS  70  -7.936  11.277   4.279
  565    H    SER  71           H        SER  71 -11.158  16.674   8.206
  566    HA   SER  71           HA       SER  71 -12.494  16.827   5.703
  567    HB2  SER  71           2HB      SER  71 -11.522  19.090   7.464
  568    HB3  SER  71           1HB      SER  71 -12.769  19.188   6.219
  569    HG   SER  71           HG       SER  71 -13.816  17.449   7.559
  570    H    GLU  72           H        GLU  72  -9.408  17.934   6.933
  571    HA   GLU  72           HA       GLU  72  -8.357  17.907   4.191
  572    HB2  GLU  72           2HB      GLU  72  -8.618  20.253   4.768
  573    HB3  GLU  72           1HB      GLU  72  -7.814  19.997   6.309
  574    HG2  GLU  72           2HG      GLU  72  -5.738  19.462   5.145
  575    HG3  GLU  72           1HG      GLU  72  -6.542  19.717   3.598
  576    H    GLY  73           H        GLY  73  -7.330  18.272   7.575
  577    HA2  GLY  73           2HA      GLY  73  -6.037  15.940   8.031
  578    HA3  GLY  73           1HA      GLY  73  -4.869  16.856   7.086
  579    H    GLY  74           H        GLY  74  -5.898  16.171  10.154
  580    HA2  GLY  74           2HA      GLY  74  -4.098  17.984  11.365
  581    HA3  GLY  74           1HA      GLY  74  -5.741  18.596  11.518
  Start of MODEL    6
    1    H1   VAL   1           1HT      VAL   1  12.303  -3.246   4.403
    2    H2   VAL   1           2HT      VAL   1  11.532  -3.233   5.914
    3    H3   VAL   1           3HT      VAL   1  13.195  -2.939   5.810
    4    HA   VAL   1           HA       VAL   1  12.845  -0.884   4.676
    5    HB   VAL   1           HB       VAL   1  10.814  -1.636   3.439
    6   HG11  VAL   1          2HG1      VAL   1   9.612  -2.665   5.292
    7   HG12  VAL   1          3HG1      VAL   1   8.616  -1.460   4.469
    8   HG13  VAL   1          1HG1      VAL   1   9.367  -1.078   6.021
    9   HG21  VAL   1          1HG2      VAL   1  11.410   0.725   3.457
   10   HG22  VAL   1          2HG2      VAL   1  10.480   0.962   4.937
   11   HG23  VAL   1          3HG2      VAL   1   9.658   0.522   3.439
   12    H    ASP   2           H        ASP   2  12.479   1.077   5.883
   13    HA   ASP   2           HA       ASP   2  12.565   0.661   8.713
   14    HB2  ASP   2           2HB      ASP   2  12.513   3.194   7.058
   15    HB3  ASP   2           1HB      ASP   2  12.697   3.170   8.808
   16    H    MET   3           H        MET   3  10.922   0.608  10.087
   17    HA   MET   3           HA       MET   3   8.252   1.230   9.143
   18    HB2  MET   3           2HB      MET   3   9.325  -0.034  11.654
   19    HB3  MET   3           1HB      MET   3   7.618   0.340  11.439
   20    HG2  MET   3           2HG      MET   3   9.234  -1.391   9.594
   21    HG3  MET   3           1HG      MET   3   8.209  -1.990  10.895
   22    HE1  MET   3           3HE      MET   3   7.309  -3.447   8.674
   23    HE2  MET   3           1HE      MET   3   8.210  -2.419   7.560
   24    HE3  MET   3           2HE      MET   3   6.481  -2.674   7.322
   25    H    SER   4           H        SER   4  10.519   3.203  10.095
   26    HA   SER   4           HA       SER   4   9.243   4.519  12.332
   27    HB2  SER   4           2HB      SER   4  11.633   5.516  10.789
   28    HB3  SER   4           1HB      SER   4  11.216   5.816  12.476
   29    HG   SER   4           HG       SER   4  12.903   4.109  11.804
   30    H    ASN   5           H        ASN   5   9.425   4.805   8.904
   31    HA   ASN   5           HA       ASN   5   8.306   7.518   9.021
   32    HB2  ASN   5           2HB      ASN   5   9.243   7.734   6.673
   33    HB3  ASN   5           1HB      ASN   5  10.420   7.649   7.979
   34   HD21  ASN   5          1HD2      ASN   5   8.673   4.880   6.700
   35   HD22  ASN   5          2HD2      ASN   5  10.060   4.102   6.025
   36    H    VAL   6           H        VAL   6   7.191   4.615   8.818
   37    HA   VAL   6           HA       VAL   6   5.413   5.136   6.531
   38    HB   VAL   6           HB       VAL   6   6.658   3.056   6.354
   39   HG11  VAL   6          1HG1      VAL   6   6.290   1.195   7.881
   40   HG12  VAL   6          2HG1      VAL   6   5.298   2.231   8.909
   41   HG13  VAL   6          3HG1      VAL   6   7.016   2.576   8.704
   42   HG21  VAL   6          3HG2      VAL   6   3.719   2.685   6.859
   43   HG22  VAL   6          1HG2      VAL   6   4.753   1.499   6.065
   44   HG23  VAL   6          2HG2      VAL   6   4.504   3.082   5.330
   45    H    VAL   7           H        VAL   7   3.267   5.384   6.786
   46    HA   VAL   7           HA       VAL   7   2.247   5.501   9.518
   47    HB   VAL   7           HB       VAL   7   0.144   6.385   8.529
   48   HG11  VAL   7          1HG1      VAL   7   2.664   7.826   7.733
   49   HG12  VAL   7          2HG1      VAL   7   1.839   7.924   9.290
   50   HG13  VAL   7          3HG1      VAL   7   1.061   8.553   7.837
   51   HG21  VAL   7          3HG2      VAL   7   1.641   6.433   5.918
   52   HG22  VAL   7          1HG2      VAL   7  -0.001   7.002   6.222
   53   HG23  VAL   7          2HG2      VAL   7   0.360   5.278   6.313
   54    H    LYS   8           H        LYS   8   2.043   3.435   6.758
   55    HA   LYS   8           HA       LYS   8   0.926   1.339   8.285
   56    HB2  LYS   8           2HB      LYS   8  -1.173   2.541   7.939
   57    HB3  LYS   8           1HB      LYS   8  -0.907   2.548   6.202
   58    HG2  LYS   8           2HG      LYS   8  -2.509   0.843   6.769
   59    HG3  LYS   8           1HG      LYS   8  -1.016   0.085   6.203
   60    HD2  LYS   8           2HD      LYS   8  -0.359  -0.425   8.465
   61    HD3  LYS   8           1HD      LYS   8  -1.743   0.462   9.111
   62    HE2  LYS   8           2HE      LYS   8  -2.030  -1.911   7.279
   63    HE3  LYS   8           1HE      LYS   8  -1.961  -2.064   9.033
   64    HZ1  LYS   8           3HZ      LYS   8  -3.974  -1.002   9.292
   65    HZ2  LYS   8           1HZ      LYS   8  -4.241  -1.904   7.886
   66    HZ3  LYS   8           2HZ      LYS   8  -3.914  -0.240   7.788
   67    H    THR   9           H        THR   9   1.553  -0.509   7.475
   68    HA   THR   9           HA       THR   9   2.420  -0.580   4.665
   69    HB   THR   9           HB       THR   9   3.451  -1.945   7.117
   70    HG1  THR   9           1HG      THR   9   4.898  -0.485   6.767
   71   HG21  THR   9          3HG2      THR   9   4.850  -3.415   5.719
   72   HG22  THR   9          1HG2      THR   9   3.972  -2.866   4.292
   73   HG23  THR   9          2HG2      THR   9   3.134  -3.781   5.546
   74    H    TYR  10           H        TYR  10   1.812  -2.288   3.384
   75    HA   TYR  10           HA       TYR  10  -0.443  -3.883   4.372
   76    HB2  TYR  10           2HB      TYR  10  -0.155  -2.305   1.862
   77    HB3  TYR  10           1HB      TYR  10  -1.118  -3.783   1.838
   78    HD1  TYR  10           2HD      TYR  10  -2.839  -4.015   3.756
   79    HD2  TYR  10           1HD      TYR  10  -1.181  -0.321   2.486
   80    HE1  TYR  10           2HE      TYR  10  -4.727  -2.846   4.770
   81    HE2  TYR  10           1HE      TYR  10  -3.076   0.883   3.496
   82    HH   TYR  10           HH       TYR  10  -5.342  -0.674   5.597
   83    H    ASP  11           H        ASP  11  -0.481  -5.896   4.053
   84    HA   ASP  11           HA       ASP  11   1.867  -7.099   2.793
   85    HB2  ASP  11           2HB      ASP  11   0.903  -7.615   5.220
   86    HB3  ASP  11           1HB      ASP  11  -0.130  -8.715   4.312
   87    H    LEU  12           H        LEU  12   1.680  -7.946   0.888
   88    HA   LEU  12           HA       LEU  12  -0.957  -8.159  -0.331
   89    HB2  LEU  12           2HB      LEU  12   1.789  -8.513  -1.534
   90    HB3  LEU  12           1HB      LEU  12   0.293  -8.689  -2.429
   91    HG   LEU  12           HG       LEU  12   1.600  -6.215  -1.400
   92   HD11  LEU  12          1HD1      LEU  12   1.868  -6.872  -3.734
   93   HD12  LEU  12          2HD1      LEU  12   0.968  -5.364  -3.585
   94   HD13  LEU  12          3HD1      LEU  12   0.118  -6.870  -3.937
   95   HD21  LEU  12          3HD2      LEU  12  -0.580  -6.125  -0.344
   96   HD22  LEU  12          1HD2      LEU  12  -1.363  -6.473  -1.888
   97   HD23  LEU  12          2HD2      LEU  12  -0.484  -4.959  -1.663
   98    H    GLN  13           H        GLN  13  -1.856 -10.033  -1.102
   99    HA   GLN  13           HA       GLN  13  -1.624 -12.093   0.770
  100    HB2  GLN  13           2HB      GLN  13  -3.637 -11.323  -0.595
  101    HB3  GLN  13           1HB      GLN  13  -3.023 -12.370  -1.869
  102    HG2  GLN  13           2HG      GLN  13  -3.156 -14.283  -0.373
  103    HG3  GLN  13           1HG      GLN  13  -3.741 -13.232   0.916
  104   HE21  GLN  13          1HE2      GLN  13  -5.015 -15.545  -0.277
  105   HE22  GLN  13          2HE2      GLN  13  -6.513 -14.996  -0.950
  106    H    ASP  14           H        ASP  14   0.128 -11.703  -2.146
  107    HA   ASP  14           HA       ASP  14   0.627 -14.586  -2.349
  108    HB2  ASP  14           2HB      ASP  14   0.200 -14.155  -4.524
  109    HB3  ASP  14           1HB      ASP  14   0.400 -12.420  -4.311
  110    H    GLY  15           H        GLY  15   2.183 -11.444  -2.198
  111    HA2  GLY  15           2HA      GLY  15   4.434 -12.069  -0.770
  112    HA3  GLY  15           1HA      GLY  15   4.765 -12.622  -2.396
  113    H    SER  16           H        SER  16   3.768  -9.797  -0.571
  114    HA   SER  16           HA       SER  16   5.811  -8.166  -1.584
  115    HB2  SER  16           2HB      SER  16   4.482  -8.178  -3.651
  116    HB3  SER  16           1HB      SER  16   3.077  -7.642  -2.742
  117    HG   SER  16           HG       SER  16   5.501  -6.204  -3.046
  118    H    LYS  17           H        LYS  17   5.819  -6.155  -0.550
  119    HA   LYS  17           HA       LYS  17   3.617  -5.702   1.343
  120    HB2  LYS  17           2HB      LYS  17   6.544  -5.134   1.836
  121    HB3  LYS  17           1HB      LYS  17   5.226  -4.903   2.977
  122    HG2  LYS  17           2HG      LYS  17   4.828  -7.354   2.926
  123    HG3  LYS  17           1HG      LYS  17   6.259  -7.522   1.903
  124    HD2  LYS  17           2HD      LYS  17   7.615  -6.479   3.677
  125    HD3  LYS  17           1HD      LYS  17   6.182  -6.400   4.703
  126    HE2  LYS  17           2HE      LYS  17   7.417  -8.919   3.596
  127    HE3  LYS  17           1HE      LYS  17   7.588  -8.329   5.248
  128    HZ1  LYS  17           3HZ      LYS  17   5.210  -8.568   5.554
  129    HZ2  LYS  17           1HZ      LYS  17   5.897 -10.047   5.082
  130    HZ3  LYS  17           2HZ      LYS  17   5.033  -9.118   3.965
  131    H    VAL  18           H        VAL  18   2.663  -3.809   1.121
  132    HA   VAL  18           HA       VAL  18   4.048  -1.674  -0.360
  133    HB   VAL  18           HB       VAL  18   1.104  -2.067   0.265
  134   HG11  VAL  18          1HG1      VAL  18   2.457   0.094  -1.359
  135   HG12  VAL  18          2HG1      VAL  18   1.614   0.308   0.177
  136   HG13  VAL  18          3HG1      VAL  18   0.715  -0.165  -1.266
  137   HG21  VAL  18          3HG2      VAL  18   2.622  -2.307  -2.333
  138   HG22  VAL  18          1HG2      VAL  18   0.871  -2.418  -2.160
  139   HG23  VAL  18          2HG2      VAL  18   1.910  -3.628  -1.407
  140    H    HIS  19           H        HIS  19   4.145   0.435   0.564
  141    HA   HIS  19           HA       HIS  19   3.144   0.666   3.309
  142    HB2  HIS  19           2HB      HIS  19   5.749   1.972   2.891
  143    HB3  HIS  19           1HB      HIS  19   5.131   1.131   4.301
  144    HD1  HIS  19           1HD      HIS  19   4.991  -1.717   3.546
  145    HD2  HIS  19           2HD      HIS  19   7.963   0.784   2.151
  146    HE1  HIS  19           1HE      HIS  19   6.848  -3.238   2.794
  147    HE2  HIS  19           2HE      HIS  19   8.526  -1.697   1.695
  148    H    VAL  20           H        VAL  20   2.156   2.515   3.669
  149    HA   VAL  20           HA       VAL  20   2.575   4.710   1.766
  150    HB   VAL  20           HB       VAL  20   0.507   4.516   3.974
  151   HG11  VAL  20          1HG1      VAL  20  -0.552   6.405   2.809
  152   HG12  VAL  20          2HG1      VAL  20   0.793   6.452   1.669
  153   HG13  VAL  20          3HG1      VAL  20   1.068   6.809   3.374
  154   HG21  VAL  20          3HG2      VAL  20   0.179   4.054   1.009
  155   HG22  VAL  20          1HG2      VAL  20  -1.112   4.052   2.211
  156   HG23  VAL  20          2HG2      VAL  20   0.140   2.809   2.256
  157    H    PHE  21           H        PHE  21   3.953   6.239   2.332
  158    HA   PHE  21           HA       PHE  21   5.173   5.989   4.941
  159    HB2  PHE  21           2HB      PHE  21   5.925   7.470   2.432
  160    HB3  PHE  21           1HB      PHE  21   6.827   7.636   3.935
  161    HD1  PHE  21           1HD      PHE  21   5.845   5.248   1.271
  162    HD2  PHE  21           2HD      PHE  21   8.300   5.960   4.680
  163    HE1  PHE  21           1HE      PHE  21   7.176   3.257   0.729
  164    HE2  PHE  21           2HE      PHE  21   9.627   3.963   4.138
  165    HZ   PHE  21           HZ       PHE  21   9.068   2.610   2.160
  166    H    LYS  22           H        LYS  22   5.665   7.783   6.262
  167    HA   LYS  22           HA       LYS  22   3.411   9.347   6.876
  168    HB2  LYS  22           2HB      LYS  22   6.288   9.530   7.786
  169    HB3  LYS  22           1HB      LYS  22   4.982  10.475   8.490
  170    HG2  LYS  22           2HG      LYS  22   3.877   8.460   9.229
  171    HG3  LYS  22           1HG      LYS  22   5.102   7.467   8.435
  172    HD2  LYS  22           2HD      LYS  22   5.511   7.642  10.840
  173    HD3  LYS  22           1HD      LYS  22   6.813   8.384   9.909
  174    HE2  LYS  22           2HE      LYS  22   6.240   9.788  11.799
  175    HE3  LYS  22           1HE      LYS  22   5.807  10.590  10.290
  176    HZ1  LYS  22           3HZ      LYS  22   4.085  10.782  12.022
  177    HZ2  LYS  22           1HZ      LYS  22   3.892   9.097  12.008
  178    HZ3  LYS  22           2HZ      LYS  22   3.514  10.010  10.627
  179    H    ASP  23           H        ASP  23   6.042   9.905   4.735
  180    HA   ASP  23           HA       ASP  23   5.669  12.787   4.716
  181    HB2  ASP  23           2HB      ASP  23   7.638  12.931   3.418
  182    HB3  ASP  23           1HB      ASP  23   7.973  11.638   4.561
  183    H    GLY  24           H        GLY  24   4.194  10.172   3.534
  184    HA2  GLY  24           2HA      GLY  24   2.307  10.425   2.187
  185    HA3  GLY  24           1HA      GLY  24   3.120  11.709   1.334
  186    H    LYS  25           H        LYS  25   5.522   9.487   1.380
  187    HA   LYS  25           HA       LYS  25   5.063   8.711  -1.290
  188    HB2  LYS  25           2HB      LYS  25   7.037   7.826   0.783
  189    HB3  LYS  25           1HB      LYS  25   7.003   7.150  -0.840
  190    HG2  LYS  25           2HG      LYS  25   7.289   9.426  -1.739
  191    HG3  LYS  25           1HG      LYS  25   7.466  10.003  -0.086
  192    HD2  LYS  25           2HD      LYS  25   9.198   7.983  -1.472
  193    HD3  LYS  25           1HD      LYS  25   9.643   9.645  -1.092
  194    HE2  LYS  25           2HE      LYS  25   9.456   9.153   1.299
  195    HE3  LYS  25           1HE      LYS  25   8.977   7.498   0.926
  196    HZ1  LYS  25           3HZ      LYS  25  11.318   7.635   1.501
  197    HZ2  LYS  25           1HZ      LYS  25  11.589   8.737   0.239
  198    HZ3  LYS  25           2HZ      LYS  25  11.129   7.143  -0.111
  199    H    MET  26           H        MET  26   5.330   6.439  -1.960
  200    HA   MET  26           HA       MET  26   4.191   4.458  -0.140
  201    HB2  MET  26           2HB      MET  26   3.372   4.770  -3.036
  202    HB3  MET  26           1HB      MET  26   2.883   3.462  -1.969
  203    HG2  MET  26           2HG      MET  26   1.043   4.779  -1.813
  204    HG3  MET  26           1HG      MET  26   1.991   5.458  -0.494
  205    HE1  MET  26           3HE      MET  26   2.442   5.855  -4.378
  206    HE2  MET  26           1HE      MET  26   1.581   7.365  -4.675
  207    HE3  MET  26           2HE      MET  26   0.694   5.931  -4.153
  208    H    GLY  27           H        GLY  27   5.285   2.602  -0.141
  209    HA2  GLY  27           2HA      GLY  27   7.256   2.169  -2.290
  210    HA3  GLY  27           1HA      GLY  27   7.710   2.030  -0.603
  211    H    MET  28           H        MET  28   7.687   0.049  -2.842
  212    HA   MET  28           HA       MET  28   5.900  -1.942  -1.615
  213    HB2  MET  28           2HB      MET  28   5.114  -1.130  -3.805
  214    HB3  MET  28           1HB      MET  28   6.637  -1.616  -4.528
  215    HG2  MET  28           2HG      MET  28   6.140  -3.945  -4.060
  216    HG3  MET  28           1HG      MET  28   4.632  -3.475  -3.275
  217    HE1  MET  28           3HE      MET  28   3.581  -5.183  -6.718
  218    HE2  MET  28           1HE      MET  28   3.499  -5.315  -4.962
  219    HE3  MET  28           2HE      MET  28   5.033  -5.575  -5.795
  220    H    GLU  29           H        GLU  29   6.727  -3.948  -1.216
  221    HA   GLU  29           HA       GLU  29   9.565  -4.407  -1.940
  222    HB2  GLU  29           2HB      GLU  29   8.119  -5.928   0.221
  223    HB3  GLU  29           1HB      GLU  29   9.847  -5.783  -0.038
  224    HG2  GLU  29           2HG      GLU  29   8.031  -3.610   0.945
  225    HG3  GLU  29           1HG      GLU  29   9.091  -4.609   1.934
  226    H    ASN  30           H        ASN  30  10.091  -6.589  -2.634
  227    HA   ASN  30           HA       ASN  30   7.817  -8.089  -3.670
  228    HB2  ASN  30           2HB      ASN  30   9.528  -9.636  -4.582
  229    HB3  ASN  30           1HB      ASN  30   9.800  -7.968  -5.070
  230   HD21  ASN  30          1HD2      ASN  30  11.963  -8.509  -5.508
  231   HD22  ASN  30          2HD2      ASN  30  13.111  -8.678  -4.224
  232    H    LYS  31           H        LYS  31   7.488 -10.387  -3.114
  233    HA   LYS  31           HA       LYS  31   7.400 -11.156  -0.531
  234    HB2  LYS  31           2HB      LYS  31   7.232 -13.432  -1.259
  235    HB3  LYS  31           1HB      LYS  31   6.429 -12.381  -2.409
  236    HG2  LYS  31           2HG      LYS  31   8.343 -12.549  -3.910
  237    HG3  LYS  31           1HG      LYS  31   9.141 -13.624  -2.758
  238    HD2  LYS  31           2HD      LYS  31   8.081 -14.939  -4.490
  239    HD3  LYS  31           1HD      LYS  31   7.245 -15.187  -2.955
  240    HE2  LYS  31           2HE      LYS  31   5.572 -13.487  -3.666
  241    HE3  LYS  31           1HE      LYS  31   6.366 -13.434  -5.242
  242    HZ1  LYS  31           3HZ      LYS  31   5.809 -15.691  -5.635
  243    HZ2  LYS  31           1HZ      LYS  31   4.384 -14.912  -5.126
  244    HZ3  LYS  31           2HZ      LYS  31   5.245 -15.905  -4.051
  245    H    PHE  32           H        PHE  32  10.353 -10.471  -1.911
  246    HA   PHE  32           HA       PHE  32  11.767 -12.506  -0.335
  247    HB2  PHE  32           2HB      PHE  32  12.866 -10.773  -2.565
  248    HB3  PHE  32           1HB      PHE  32  13.703 -12.092  -1.751
  249    HD1  PHE  32           1HD      PHE  32  12.954 -14.432  -2.110
  250    HD2  PHE  32           2HD      PHE  32  11.365 -11.174  -4.345
  251    HE1  PHE  32           1HE      PHE  32  12.086 -16.009  -3.785
  252    HE2  PHE  32           2HE      PHE  32  10.489 -12.751  -6.024
  253    HZ   PHE  32           HZ       PHE  32  10.853 -15.171  -5.746
  254    H    GLY  33           H        GLY  33  10.656  -9.412  -0.119
  255    HA2  GLY  33           2HA      GLY  33  11.026  -8.010   1.676
  256    HA3  GLY  33           1HA      GLY  33  12.490  -8.900   2.037
  257    H    LYS  34           H        LYS  34  11.926  -7.723  -1.167
  258    HA   LYS  34           HA       LYS  34  14.058  -5.738  -0.709
  259    HB2  LYS  34           2HB      LYS  34  13.319  -7.178  -3.244
  260    HB3  LYS  34           1HB      LYS  34  14.540  -5.923  -3.114
  261    HG2  LYS  34           2HG      LYS  34  14.587  -8.631  -1.818
  262    HG3  LYS  34           1HG      LYS  34  15.562  -8.038  -3.151
  263    HD2  LYS  34           2HD      LYS  34  15.614  -6.919  -0.364
  264    HD3  LYS  34           1HD      LYS  34  16.799  -8.051  -1.017
  265    HE2  LYS  34           2HE      LYS  34  16.218  -5.297  -2.092
  266    HE3  LYS  34           1HE      LYS  34  17.595  -5.732  -1.081
  267    HZ1  LYS  34           3HZ      LYS  34  18.219  -5.662  -3.403
  268    HZ2  LYS  34           1HZ      LYS  34  17.024  -6.796  -3.797
  269    HZ3  LYS  34           2HZ      LYS  34  18.336  -7.252  -2.824
  270    H    SER  35           H        SER  35  13.962  -3.803  -1.630
  271    HA   SER  35           HA       SER  35  11.248  -2.795  -1.872
  272    HB2  SER  35           2HB      SER  35  13.862  -1.287  -1.785
  273    HB3  SER  35           1HB      SER  35  12.246  -0.596  -1.627
  274    HG   SER  35           HG       SER  35  12.146  -2.301   0.192
  275    H    MET  36           H        MET  36  10.298  -2.364  -3.712
  276    HA   MET  36           HA       MET  36  11.917  -1.682  -6.048
  277    HB2  MET  36           2HB      MET  36  10.308  -3.219  -7.387
  278    HB3  MET  36           1HB      MET  36  11.667  -3.938  -6.538
  279    HG2  MET  36           2HG      MET  36   9.936  -5.369  -6.033
  280    HG3  MET  36           1HG      MET  36   9.989  -4.317  -4.621
  281    HE1  MET  36           3HE      MET  36   6.744  -4.372  -7.878
  282    HE2  MET  36           1HE      MET  36   8.013  -5.579  -7.658
  283    HE3  MET  36           2HE      MET  36   8.417  -3.974  -8.270
  284    H    ASN  37           H        ASN  37  10.174  -1.231  -7.949
  285    HA   ASN  37           HA       ASN  37   8.602   0.938  -6.798
  286    HB2  ASN  37           2HB      ASN  37   8.423   1.778  -9.120
  287    HB3  ASN  37           1HB      ASN  37  10.095   1.546  -8.625
  288   HD21  ASN  37          1HD2      ASN  37  11.325  -0.053  -9.604
  289   HD22  ASN  37          2HD2      ASN  37  10.808  -0.874 -11.043
  290    H    MET  38           H        MET  38   6.426   1.206  -7.088
  291    HA   MET  38           HA       MET  38   4.976  -1.281  -7.439
  292    HB2  MET  38           2HB      MET  38   4.534   0.177  -5.485
  293    HB3  MET  38           1HB      MET  38   3.990   1.445  -6.573
  294    HG2  MET  38           2HG      MET  38   2.143   0.054  -7.310
  295    HG3  MET  38           1HG      MET  38   2.706  -1.265  -6.287
  296    HE1  MET  38           3HE      MET  38  -0.553  -0.152  -4.452
  297    HE2  MET  38           1HE      MET  38   0.345  -1.505  -5.141
  298    HE3  MET  38           2HE      MET  38  -0.272  -0.228  -6.191
  299    HA   PRO  39           HA       PRO  39   3.819  -0.169 -11.582
  300    HB2  PRO  39           2HB      PRO  39   2.208  -2.284 -12.069
  301    HB3  PRO  39           1HB      PRO  39   3.969  -2.414 -12.041
  302    HG2  PRO  39           2HG      PRO  39   1.981  -3.129  -9.923
  303    HG3  PRO  39           1HG      PRO  39   3.433  -4.006 -10.435
  304    HD2  PRO  39           2HD      PRO  39   3.333  -2.426  -8.211
  305    HD3  PRO  39           1HD      PRO  39   4.818  -2.715  -9.139
  306    H    GLU  40           H        GLU  40   2.392   1.322 -12.134
  307    HA   GLU  40           HA       GLU  40   0.008   1.751 -10.588
  308    HB2  GLU  40           2HB      GLU  40   1.387   3.617 -11.452
  309    HB3  GLU  40           1HB      GLU  40   0.965   3.151 -13.094
  310    HG2  GLU  40           2HG      GLU  40  -1.389   3.587 -12.607
  311    HG3  GLU  40           1HG      GLU  40  -0.955   4.065 -10.971
  312    H    GLY  41           H        GLY  41  -2.040   1.231 -11.071
  313    HA2  GLY  41           2HA      GLY  41  -3.774   1.123 -12.787
  314    HA3  GLY  41           1HA      GLY  41  -2.612   0.307 -13.812
  315    H    LYS  42           H        LYS  42  -1.926  -1.161 -11.084
  316    HA   LYS  42           HA       LYS  42  -3.914  -3.272 -11.565
  317    HB2  LYS  42           2HB      LYS  42  -1.174  -3.359 -10.331
  318    HB3  LYS  42           1HB      LYS  42  -2.276  -4.723 -10.346
  319    HG2  LYS  42           2HG      LYS  42  -2.284  -4.585 -12.845
  320    HG3  LYS  42           1HG      LYS  42  -1.003  -3.378 -12.715
  321    HD2  LYS  42           2HD      LYS  42  -0.114  -5.639 -13.126
  322    HD3  LYS  42           1HD      LYS  42   0.429  -4.983 -11.579
  323    HE2  LYS  42           2HE      LYS  42  -1.260  -6.275 -10.413
  324    HE3  LYS  42           1HE      LYS  42  -1.889  -6.880 -11.944
  325    HZ1  LYS  42           3HZ      LYS  42   0.127  -8.060 -12.325
  326    HZ2  LYS  42           1HZ      LYS  42  -0.410  -8.453 -10.766
  327    HZ3  LYS  42           2HZ      LYS  42   0.876  -7.365 -10.975
  328    H    VAL  43           H        VAL  43  -5.412  -3.684 -10.094
  329    HA   VAL  43           HA       VAL  43  -4.997  -2.702  -7.385
  330    HB   VAL  43           HB       VAL  43  -7.212  -2.256  -8.306
  331   HG11  VAL  43          1HG1      VAL  43  -7.518  -5.242  -8.503
  332   HG12  VAL  43          2HG1      VAL  43  -7.457  -4.100  -9.846
  333   HG13  VAL  43          3HG1      VAL  43  -8.813  -4.066  -8.714
  334   HG21  VAL  43          3HG2      VAL  43  -7.284  -4.307  -6.100
  335   HG22  VAL  43          1HG2      VAL  43  -8.566  -3.159  -6.481
  336   HG23  VAL  43          2HG2      VAL  43  -7.004  -2.577  -5.906
  337    H    MET  44           H        MET  44  -4.290  -3.914  -5.829
  338    HA   MET  44           HA       MET  44  -4.140  -6.821  -6.287
  339    HB2  MET  44           2HB      MET  44  -2.082  -4.977  -5.066
  340    HB3  MET  44           1HB      MET  44  -1.998  -6.733  -4.971
  341    HG2  MET  44           2HG      MET  44  -1.860  -6.886  -7.384
  342    HG3  MET  44           1HG      MET  44  -2.049  -5.143  -7.527
  343    HE1  MET  44           3HE      MET  44  -0.230  -3.972  -5.252
  344    HE2  MET  44           1HE      MET  44  -0.208  -3.387  -6.916
  345    HE3  MET  44           2HE      MET  44   1.305  -3.784  -6.102
  346    H    GLU  45           H        GLU  45  -4.107  -8.115  -4.323
  347    HA   GLU  45           HA       GLU  45  -5.696  -6.752  -2.278
  348    HB2  GLU  45           2HB      GLU  45  -5.881  -9.445  -3.466
  349    HB3  GLU  45           1HB      GLU  45  -6.201  -9.329  -1.737
  350    HG2  GLU  45           2HG      GLU  45  -7.863  -7.585  -2.174
  351    HG3  GLU  45           1HG      GLU  45  -7.568  -7.755  -3.906
  352    H    THR  46           H        THR  46  -5.573  -7.466  -0.178
  353    HA   THR  46           HA       THR  46  -2.796  -7.989   0.636
  354    HB   THR  46           HB       THR  46  -3.381  -6.771   2.717
  355    HG1  THR  46           1HG      THR  46  -5.706  -5.939   1.319
  356   HG21  THR  46          3HG2      THR  46  -3.901  -5.173   0.201
  357   HG22  THR  46          1HG2      THR  46  -2.302  -5.612   0.807
  358   HG23  THR  46          2HG2      THR  46  -3.338  -4.543   1.748
  359    H    ARG  47           H        ARG  47  -2.505  -9.145   2.673
  360    HA   ARG  47           HA       ARG  47  -3.864 -11.565   2.765
  361    HB2  ARG  47           2HB      ARG  47  -2.182 -10.165   4.830
  362    HB3  ARG  47           1HB      ARG  47  -2.759 -11.811   5.007
  363    HG2  ARG  47           2HG      ARG  47  -1.587 -12.344   2.851
  364    HG3  ARG  47           1HG      ARG  47  -0.874 -10.732   2.933
  365    HD2  ARG  47           2HD      ARG  47   0.048 -11.330   5.170
  366    HD3  ARG  47           1HD      ARG  47  -0.538 -12.975   4.915
  367    HE   ARG  47           HE       ARG  47   1.485 -11.644   3.227
  368   HH11  ARG  47          1HH1      ARG  47   0.179 -14.490   4.804
  369   HH12  ARG  47          2HH1      ARG  47   1.376 -15.566   4.138
  370   HH21  ARG  47          1HH2      ARG  47   3.065 -13.044   2.356
  371   HH22  ARG  47          2HH2      ARG  47   3.019 -14.737   2.745
  372    H    ASP  48           H        ASP  48  -4.726  -8.543   4.186
  373    HA   ASP  48           HA       ASP  48  -6.397  -9.850   6.197
  374    HB2  ASP  48           2HB      ASP  48  -6.534  -7.707   7.271
  375    HB3  ASP  48           1HB      ASP  48  -4.851  -8.013   6.830
  376    H    GLY  49           H        GLY  49  -6.636  -8.801   3.080
  377    HA2  GLY  49           2HA      GLY  49  -8.634  -9.354   1.893
  378    HA3  GLY  49           1HA      GLY  49  -9.558  -8.960   3.332
  379    H    THR  50           H        THR  50  -7.113  -6.708   2.574
  380    HA   THR  50           HA       THR  50  -9.144  -4.789   1.746
  381    HB   THR  50           HB       THR  50  -6.253  -4.447   2.584
  382    HG1  THR  50           1HG      THR  50  -7.195  -4.693   4.479
  383   HG21  THR  50          3HG2      THR  50  -8.349  -2.355   2.011
  384   HG22  THR  50          1HG2      THR  50  -6.891  -2.661   1.067
  385   HG23  THR  50          2HG2      THR  50  -6.761  -2.044   2.713
  386    H    LYS  51           H        LYS  51  -8.981  -3.614  -0.189
  387    HA   LYS  51           HA       LYS  51  -7.167  -4.774  -2.200
  388    HB2  LYS  51           2HB      LYS  51  -9.763  -3.272  -2.612
  389    HB3  LYS  51           1HB      LYS  51  -8.740  -3.907  -3.891
  390    HG2  LYS  51           2HG      LYS  51  -9.146  -6.186  -3.058
  391    HG3  LYS  51           1HG      LYS  51 -10.222  -5.519  -1.825
  392    HD2  LYS  51           2HD      LYS  51 -11.703  -4.653  -3.523
  393    HD3  LYS  51           1HD      LYS  51 -10.590  -5.149  -4.796
  394    HE2  LYS  51           2HE      LYS  51 -12.426  -6.714  -4.649
  395    HE3  LYS  51           1HE      LYS  51 -10.928  -7.497  -4.150
  396    HZ1  LYS  51           3HZ      LYS  51 -12.822  -8.020  -2.703
  397    HZ2  LYS  51           1HZ      LYS  51 -12.955  -6.385  -2.283
  398    HZ3  LYS  51           2HZ      LYS  51 -11.563  -7.264  -1.861
  399    H    ILE  52           H        ILE  52  -5.698  -3.484  -3.182
  400    HA   ILE  52           HA       ILE  52  -5.943  -0.580  -2.856
  401    HB   ILE  52           HB       ILE  52  -3.501  -0.433  -2.370
  402   HG12  ILE  52          2HG1      ILE  52  -3.741  -3.406  -1.860
  403   HG13  ILE  52          1HG1      ILE  52  -2.903  -2.680  -3.230
  404   HG21  ILE  52          1HG2      ILE  52  -5.129  -1.951  -0.337
  405   HG22  ILE  52          2HG2      ILE  52  -5.138  -0.207  -0.586
  406   HG23  ILE  52          3HG2      ILE  52  -3.682  -1.003  -0.001
  407   HD11  ILE  52          3HD1      ILE  52  -1.311  -3.332  -1.557
  408   HD12  ILE  52          1HD1      ILE  52  -2.167  -2.404  -0.328
  409   HD13  ILE  52          2HD1      ILE  52  -1.365  -1.573  -1.660
  410    H    ILE  53           H        ILE  53  -4.687   0.655  -4.323
  411    HA   ILE  53           HA       ILE  53  -3.143  -0.621  -6.391
  412    HB   ILE  53           HB       ILE  53  -5.199  -1.014  -7.551
  413   HG12  ILE  53          2HG1      ILE  53  -3.751   1.411  -8.612
  414   HG13  ILE  53          1HG1      ILE  53  -3.565  -0.270  -9.091
  415   HG21  ILE  53          1HG2      ILE  53  -6.833   0.761  -8.038
  416   HG22  ILE  53          2HG2      ILE  53  -5.909   1.866  -7.018
  417   HG23  ILE  53          3HG2      ILE  53  -6.675   0.442  -6.313
  418   HD11  ILE  53          3HD1      ILE  53  -5.996   1.428  -9.605
  419   HD12  ILE  53          1HD1      ILE  53  -5.744  -0.231 -10.153
  420   HD13  ILE  53          2HD1      ILE  53  -4.725   1.073 -10.775
  421    H    MET  54           H        MET  54  -2.004   0.900  -7.693
  422    HA   MET  54           HA       MET  54  -1.968   3.610  -6.546
  423    HB2  MET  54           2HB      MET  54   0.163   2.401  -6.270
  424    HB3  MET  54           1HB      MET  54   0.219   2.091  -7.998
  425    HG2  MET  54           2HG      MET  54   0.418   4.471  -8.437
  426    HG3  MET  54           1HG      MET  54   0.310   4.806  -6.709
  427    HE1  MET  54           3HE      MET  54   2.578   6.243  -6.902
  428    HE2  MET  54           1HE      MET  54   2.656   5.867  -8.623
  429    HE3  MET  54           2HE      MET  54   4.067   5.605  -7.598
  430    H    LYS  55           H        LYS  55  -2.882   5.056  -7.827
  431    HA   LYS  55           HA       LYS  55  -2.559   4.799 -10.722
  432    HB2  LYS  55           2HB      LYS  55  -5.068   4.515  -9.300
  433    HB3  LYS  55           1HB      LYS  55  -5.120   5.875 -10.413
  434    HG2  LYS  55           2HG      LYS  55  -4.486   3.009 -11.081
  435    HG3  LYS  55           1HG      LYS  55  -5.922   3.923 -11.538
  436    HD2  LYS  55           2HD      LYS  55  -3.098   4.507 -12.434
  437    HD3  LYS  55           1HD      LYS  55  -4.352   3.735 -13.408
  438    HE2  LYS  55           2HE      LYS  55  -5.671   5.718 -13.421
  439    HE3  LYS  55           1HE      LYS  55  -4.640   6.483 -12.215
  440    HZ1  LYS  55           3HZ      LYS  55  -3.968   5.871 -15.039
  441    HZ2  LYS  55           1HZ      LYS  55  -2.809   6.350 -13.894
  442    HZ3  LYS  55           2HZ      LYS  55  -4.080   7.392 -14.305
  443    H    GLY  56           H        GLY  56  -2.173   6.673 -11.730
  444    HA2  GLY  56           2HA      GLY  56  -1.664   8.896 -11.987
  445    HA3  GLY  56           1HA      GLY  56  -2.945   9.223 -10.825
  446    H    ASN  57           H        ASN  57  -0.170   7.231 -10.139
  447    HA   ASN  57           HA       ASN  57   1.446   7.324  -8.563
  448    HB2  ASN  57           2HB      ASN  57   1.296  10.221  -9.345
  449    HB3  ASN  57           1HB      ASN  57   2.368   9.696  -8.050
  450   HD21  ASN  57          1HD2      ASN  57   1.616   7.697 -10.817
  451   HD22  ASN  57          2HD2      ASN  57   3.186   7.774 -11.537
  452    H    GLU  58           H        GLU  58  -1.402   7.555  -7.852
  453    HA   GLU  58           HA       GLU  58  -1.002   8.406  -5.055
  454    HB2  GLU  58           2HB      GLU  58  -3.471   8.602  -6.770
  455    HB3  GLU  58           1HB      GLU  58  -3.528   8.702  -5.017
  456    HG2  GLU  58           2HG      GLU  58  -2.029  10.642  -5.090
  457    HG3  GLU  58           1HG      GLU  58  -2.024  10.552  -6.851
  458    H    ILE  59           H        ILE  59  -1.961   7.104  -3.461
  459    HA   ILE  59           HA       ILE  59  -2.381   4.361  -4.369
  460    HB   ILE  59           HB       ILE  59  -1.090   5.538  -2.079
  461   HG12  ILE  59          2HG1      ILE  59  -0.148   3.866  -3.643
  462   HG13  ILE  59          1HG1      ILE  59  -0.010   3.380  -1.958
  463   HG21  ILE  59          1HG2      ILE  59  -3.115   5.066  -0.834
  464   HG22  ILE  59          2HG2      ILE  59  -1.828   3.960  -0.350
  465   HG23  ILE  59          3HG2      ILE  59  -3.115   3.402  -1.420
  466   HD11  ILE  59          3HD1      ILE  59  -2.069   2.382  -3.914
  467   HD12  ILE  59          1HD1      ILE  59  -1.920   1.892  -2.226
  468   HD13  ILE  59          2HD1      ILE  59  -0.635   1.510  -3.373
  469    H    PHE  60           H        PHE  60  -4.331   3.661  -4.638
  470    HA   PHE  60           HA       PHE  60  -6.608   4.659  -3.153
  471    HB2  PHE  60           2HB      PHE  60  -7.348   4.040  -5.231
  472    HB3  PHE  60           1HB      PHE  60  -6.111   2.814  -5.430
  473    HD1  PHE  60           1HD      PHE  60  -6.500   0.517  -4.502
  474    HD2  PHE  60           2HD      PHE  60  -9.502   3.524  -4.422
  475    HE1  PHE  60           1HE      PHE  60  -8.215  -1.188  -4.004
  476    HE2  PHE  60           2HE      PHE  60 -11.202   1.847  -3.935
  477    HZ   PHE  60           HZ       PHE  60 -10.478  -0.674  -3.998
  478    H    ARG  61           H        ARG  61  -6.708   4.118  -1.117
  479    HA   ARG  61           HA       ARG  61  -6.445   1.269  -0.497
  480    HB2  ARG  61           2HB      ARG  61  -4.700   2.690   0.666
  481    HB3  ARG  61           1HB      ARG  61  -6.012   3.527   1.483
  482    HG2  ARG  61           2HG      ARG  61  -5.943   0.574   1.693
  483    HG3  ARG  61           1HG      ARG  61  -4.722   1.485   2.579
  484    HD2  ARG  61           2HD      ARG  61  -7.638   2.175   2.783
  485    HD3  ARG  61           1HD      ARG  61  -6.933   0.897   3.772
  486    HE   ARG  61           HE       ARG  61  -5.482   3.372   3.908
  487   HH11  ARG  61          1HH1      ARG  61  -8.197   1.585   5.245
  488   HH12  ARG  61          2HH1      ARG  61  -8.175   2.456   6.746
  489   HH21  ARG  61          1HH2      ARG  61  -5.445   4.476   5.909
  490   HH22  ARG  61          2HH2      ARG  61  -6.614   4.064   7.129
  491    H    LEU  62           H        LEU  62  -8.373   0.476  -0.126
  492    HA   LEU  62           HA       LEU  62 -10.714   0.398  -0.186
  493    HB2  LEU  62           2HB      LEU  62  -9.998   2.314   1.952
  494    HB3  LEU  62           1HB      LEU  62 -11.665   2.329   1.421
  495    HG   LEU  62           HG       LEU  62 -11.249   0.951   3.411
  496   HD11  LEU  62          1HD1      LEU  62 -12.223  -0.480   0.937
  497   HD12  LEU  62          2HD1      LEU  62 -13.181   0.538   2.012
  498   HD13  LEU  62          3HD1      LEU  62 -12.539  -1.001   2.593
  499   HD21  LEU  62          3HD2      LEU  62  -9.721  -0.812   1.497
  500   HD22  LEU  62          1HD2      LEU  62 -10.153  -1.222   3.158
  501   HD23  LEU  62          2HD2      LEU  62  -9.034   0.105   2.838
  502    H    ASP  63           H        ASP  63  -9.313   3.552  -0.641
  503    HA   ASP  63           HA       ASP  63  -9.850   5.381  -1.839
  504    HB2  ASP  63           2HB      ASP  63 -10.727   4.352  -3.727
  505    HB3  ASP  63           1HB      ASP  63 -12.043   3.617  -2.826
  506    H    GLU  64           H        GLU  64 -12.595   3.878  -0.282
  507    HA   GLU  64           HA       GLU  64 -13.814   6.279   0.596
  508    HB2  GLU  64           2HB      GLU  64 -14.052   3.474   1.704
  509    HB3  GLU  64           1HB      GLU  64 -15.130   4.814   2.080
  510    HG2  GLU  64           2HG      GLU  64 -15.849   4.924  -0.224
  511    HG3  GLU  64           1HG      GLU  64 -14.703   3.662  -0.667
  512    H    ALA  65           H        ALA  65 -11.239   4.309   1.842
  513    HA   ALA  65           HA       ALA  65 -11.257   5.185   4.522
  514    HB1  ALA  65           1HB      ALA  65 -10.020   3.198   3.616
  515    HB2  ALA  65           2HB      ALA  65  -9.081   4.235   4.700
  516    HB3  ALA  65           3HB      ALA  65  -8.830   4.329   2.957
  517    H    LEU  66           H        LEU  66  -9.422   6.309   1.697
  518    HA   LEU  66           HA       LEU  66  -8.298   8.548   3.092
  519    HB2  LEU  66           2HB      LEU  66  -8.541   8.024   0.129
  520    HB3  LEU  66           1HB      LEU  66  -7.594   9.312   0.852
  521    HG   LEU  66           HG       LEU  66  -6.680   6.988   2.095
  522   HD11  LEU  66          1HD1      LEU  66  -6.044   5.558   0.204
  523   HD12  LEU  66          2HD1      LEU  66  -7.050   6.542  -0.858
  524   HD13  LEU  66          3HD1      LEU  66  -7.791   5.614   0.447
  525   HD21  LEU  66          3HD2      LEU  66  -5.537   8.549  -0.214
  526   HD22  LEU  66          1HD2      LEU  66  -4.636   7.449   0.828
  527   HD23  LEU  66          2HD2      LEU  66  -5.343   8.919   1.500
  528    H    ARG  67           H        ARG  67 -11.101   7.916   1.163
  529    HA   ARG  67           HA       ARG  67 -12.050  10.433   0.558
  530    HB2  ARG  67           2HB      ARG  67 -13.112   8.505  -0.332
  531    HB3  ARG  67           1HB      ARG  67 -13.452   7.872   1.266
  532    HG2  ARG  67           2HG      ARG  67 -15.066   9.663   1.634
  533    HG3  ARG  67           1HG      ARG  67 -14.727  10.277   0.015
  534    HD2  ARG  67           2HD      ARG  67 -15.566   8.300  -1.004
  535    HD3  ARG  67           1HD      ARG  67 -15.668   7.473   0.550
  536    HE   ARG  67           HE       ARG  67 -17.301   9.869   0.180
  537   HH11  ARG  67          1HH1      ARG  67 -17.088   6.372   0.291
  538   HH12  ARG  67          2HH1      ARG  67 -18.783   6.144   0.576
  539   HH21  ARG  67          1HH2      ARG  67 -19.557   9.567   0.484
  540   HH22  ARG  67          2HH2      ARG  67 -20.194   7.952   0.635
  541    H    LYS  68           H        LYS  68 -13.076   8.505   3.409
  542    HA   LYS  68           HA       LYS  68 -13.107  10.915   5.028
  543    HB2  LYS  68           2HB      LYS  68 -15.444  10.703   5.668
  544    HB3  LYS  68           1HB      LYS  68 -15.297  10.990   3.941
  545    HG2  LYS  68           2HG      LYS  68 -15.703   8.641   3.495
  546    HG3  LYS  68           1HG      LYS  68 -15.771   8.307   5.228
  547    HD2  LYS  68           2HD      LYS  68 -17.696   9.859   5.403
  548    HD3  LYS  68           1HD      LYS  68 -17.656  10.054   3.650
  549    HE2  LYS  68           2HE      LYS  68 -18.092   7.681   3.358
  550    HE3  LYS  68           1HE      LYS  68 -18.066   7.442   5.106
  551    HZ1  LYS  68           3HZ      LYS  68 -19.979   8.937   5.281
  552    HZ2  LYS  68           1HZ      LYS  68 -20.329   7.595   4.302
  553    HZ3  LYS  68           2HZ      LYS  68 -20.016   9.103   3.596
  554    H    GLY  69           H        GLY  69 -12.282   7.860   4.782
  555    HA2  GLY  69           2HA      GLY  69 -13.219   6.947   7.400
  556    HA3  GLY  69           1HA      GLY  69 -12.406   5.962   6.193
  557    H    HIS  70           H        HIS  70 -11.650   8.953   7.992
  558    HA   HIS  70           HA       HIS  70  -8.885   8.082   8.207
  559    HB2  HIS  70           2HB      HIS  70 -10.255  10.640   9.061
  560    HB3  HIS  70           1HB      HIS  70  -8.542  10.317   9.302
  561    HD1  HIS  70           1HD      HIS  70 -10.614  12.115   7.139
  562    HD2  HIS  70           2HD      HIS  70  -7.397   9.543   6.530
  563    HE1  HIS  70           1HE      HIS  70  -9.732  12.656   4.844
  564    HE2  HIS  70           2HE      HIS  70  -7.667  11.231   4.586
  565    H    SER  71           H        SER  71  -9.673   6.218   9.522
  566    HA   SER  71           HA       SER  71  -9.021   6.720  12.257
  567    HB2  SER  71           2HB      SER  71 -11.491   7.290  12.154
  568    HB3  SER  71           1HB      SER  71 -11.786   5.599  11.745
  569    HG   SER  71           HG       SER  71 -10.896   6.735  14.149
  570    H    GLU  72           H        GLU  72  -7.487   5.197  12.249
  571    HA   GLU  72           HA       GLU  72  -8.322   2.442  11.622
  572    HB2  GLU  72           2HB      GLU  72  -6.817   3.403   9.864
  573    HB3  GLU  72           1HB      GLU  72  -5.583   3.622  11.098
  574    HG2  GLU  72           2HG      GLU  72  -5.619   1.182  11.500
  575    HG3  GLU  72           1HG      GLU  72  -6.755   1.011  10.165
  576    H    GLY  73           H        GLY  73  -7.350   0.805  12.911
  577    HA2  GLY  73           2HA      GLY  73  -6.759   1.700  15.594
  578    HA3  GLY  73           1HA      GLY  73  -6.924   0.034  15.055
  579    H    GLY  74           H        GLY  74  -4.769   2.543  15.847
  580    HA2  GLY  74           2HA      GLY  74  -2.546   0.676  15.539
  581    HA3  GLY  74           1HA      GLY  74  -2.404   2.234  14.731
  Start of MODEL    7
    1    H1   VAL   1           1HT      VAL   1  14.202   2.007   3.299
    2    H2   VAL   1           2HT      VAL   1  13.504   0.887   2.241
    3    H3   VAL   1           3HT      VAL   1  13.574   0.551   3.903
    4    HA   VAL   1           HA       VAL   1  12.007   2.685   2.582
    5    HB   VAL   1           HB       VAL   1  10.038   1.472   3.529
    6   HG11  VAL   1          2HG1      VAL   1  10.614   1.251   1.182
    7   HG12  VAL   1          3HG1      VAL   1   9.990  -0.277   1.805
    8   HG13  VAL   1          1HG1      VAL   1  11.725  -0.065   1.560
    9   HG21  VAL   1          1HG2      VAL   1  11.165   0.185   5.260
   10   HG22  VAL   1          2HG2      VAL   1  12.045  -0.724   4.032
   11   HG23  VAL   1          3HG2      VAL   1  10.293  -0.881   4.158
   12    H    ASP   2           H        ASP   2  13.282   1.362   5.564
   13    HA   ASP   2           HA       ASP   2  13.398   2.134   7.684
   14    HB2  ASP   2           2HB      ASP   2  12.560   4.760   6.435
   15    HB3  ASP   2           1HB      ASP   2  13.076   4.574   8.108
   16    H    MET   3           H        MET   3  12.039   1.608   9.289
   17    HA   MET   3           HA       MET   3   9.227   1.516   8.550
   18    HB2  MET   3           2HB      MET   3  10.588   0.285  10.937
   19    HB3  MET   3           1HB      MET   3   8.987  -0.082  10.323
   20    HG2  MET   3           2HG      MET   3  11.635  -0.720   9.079
   21    HG3  MET   3           1HG      MET   3  10.392  -1.837   9.628
   22    HE1  MET   3           3HE      MET   3   7.783  -0.285   8.448
   23    HE2  MET   3           1HE      MET   3   7.993  -2.035   8.424
   24    HE3  MET   3           2HE      MET   3   7.571  -1.177   6.942
   25    H    SER   4           H        SER   4  10.747   3.953   9.709
   26    HA   SER   4           HA       SER   4   9.007   4.432  12.018
   27    HB2  SER   4           2HB      SER   4  11.370   6.041  11.027
   28    HB3  SER   4           1HB      SER   4  10.466   6.339  12.513
   29    HG   SER   4           HG       SER   4  12.465   4.568  12.024
   30    H    ASN   5           H        ASN   5   9.514   5.360   8.725
   31    HA   ASN   5           HA       ASN   5   7.754   7.686   9.034
   32    HB2  ASN   5           2HB      ASN   5   8.420   8.182   6.655
   33    HB3  ASN   5           1HB      ASN   5   9.711   8.263   7.834
   34   HD21  ASN   5          1HD2      ASN   5   8.427   5.271   6.586
   35   HD22  ASN   5          2HD2      ASN   5   9.860   4.806   5.729
   36    H    VAL   6           H        VAL   6   7.119   4.680   8.840
   37    HA   VAL   6           HA       VAL   6   5.327   4.824   6.524
   38    HB   VAL   6           HB       VAL   6   6.847   2.898   6.588
   39   HG11  VAL   6          1HG1      VAL   6   7.106   2.601   8.967
   40   HG12  VAL   6          2HG1      VAL   6   6.509   1.108   8.240
   41   HG13  VAL   6          3HG1      VAL   6   5.405   2.159   9.127
   42   HG21  VAL   6          3HG2      VAL   6   3.954   2.166   6.985
   43   HG22  VAL   6          1HG2      VAL   6   5.173   1.172   6.187
   44   HG23  VAL   6          2HG2      VAL   6   4.690   2.715   5.480
   45    H    VAL   7           H        VAL   7   3.188   5.013   6.796
   46    HA   VAL   7           HA       VAL   7   2.201   5.004   9.550
   47    HB   VAL   7           HB       VAL   7   0.092   5.979   8.576
   48   HG11  VAL   7          1HG1      VAL   7   1.752   7.351   9.677
   49   HG12  VAL   7          2HG1      VAL   7   1.070   8.213   8.299
   50   HG13  VAL   7          3HG1      VAL   7   2.672   7.484   8.179
   51   HG21  VAL   7          3HG2      VAL   7   0.435   5.203   6.252
   52   HG22  VAL   7          1HG2      VAL   7   1.790   6.331   6.106
   53   HG23  VAL   7          2HG2      VAL   7   0.150   6.941   6.362
   54    H    LYS   8           H        LYS   8   2.030   3.096   6.687
   55    HA   LYS   8           HA       LYS   8   0.780   0.997   8.139
   56    HB2  LYS   8           2HB      LYS   8  -1.188   2.445   7.521
   57    HB3  LYS   8           1HB      LYS   8  -0.840   2.088   5.835
   58    HG2  LYS   8           2HG      LYS   8  -2.617   0.665   6.729
   59    HG3  LYS   8           1HG      LYS   8  -1.208  -0.279   6.235
   60    HD2  LYS   8           2HD      LYS   8  -0.459  -0.405   8.549
   61    HD3  LYS   8           1HD      LYS   8  -1.828   0.580   9.061
   62    HE2  LYS   8           2HE      LYS   8  -3.373  -1.149   8.338
   63    HE3  LYS   8           1HE      LYS   8  -2.030  -2.128   7.746
   64    HZ1  LYS   8           3HZ      LYS   8  -2.360  -1.295  10.578
   65    HZ2  LYS   8           1HZ      LYS   8  -1.215  -2.385   9.961
   66    HZ3  LYS   8           2HZ      LYS   8  -2.863  -2.795   9.970
   67    H    THR   9           H        THR   9   1.069  -0.938   7.239
   68    HA   THR   9           HA       THR   9   2.301  -1.038   4.575
   69    HB   THR   9           HB       THR   9   3.014  -2.527   7.087
   70    HG1  THR   9           1HG      THR   9   5.037  -1.719   6.665
   71   HG21  THR   9          3HG2      THR   9   2.790  -4.215   5.330
   72   HG22  THR   9          1HG2      THR   9   4.481  -3.978   5.776
   73   HG23  THR   9          2HG2      THR   9   3.853  -3.270   4.287
   74    H    TYR  10           H        TYR  10   1.669  -2.707   3.234
   75    HA   TYR  10           HA       TYR  10  -0.554  -4.366   4.183
   76    HB2  TYR  10           2HB      TYR  10  -0.321  -2.758   1.682
   77    HB3  TYR  10           1HB      TYR  10  -1.297  -4.228   1.698
   78    HD1  TYR  10           2HD      TYR  10  -2.881  -4.436   3.772
   79    HD2  TYR  10           1HD      TYR  10  -1.372  -0.777   2.248
   80    HE1  TYR  10           2HE      TYR  10  -4.721  -3.254   4.856
   81    HE2  TYR  10           1HE      TYR  10  -3.219   0.443   3.335
   82    HH   TYR  10           HH       TYR  10  -5.306  -1.059   5.631
   83    H    ASP  11           H        ASP  11  -0.543  -6.364   3.824
   84    HA   ASP  11           HA       ASP  11   1.781  -7.505   2.454
   85    HB2  ASP  11           2HB      ASP  11  -0.198  -8.810   4.335
   86    HB3  ASP  11           1HB      ASP  11   1.188  -9.612   3.605
   87    H    LEU  12           H        LEU  12   1.569  -8.345   0.610
   88    HA   LEU  12           HA       LEU  12  -0.818  -8.124  -0.911
   89    HB2  LEU  12           2HB      LEU  12   1.940  -9.139  -1.407
   90    HB3  LEU  12           1HB      LEU  12   0.680  -9.521  -2.565
   91    HG   LEU  12           HG       LEU  12   2.209  -7.415  -2.869
   92   HD11  LEU  12          1HD1      LEU  12   0.433  -8.077  -4.388
   93   HD12  LEU  12          2HD1      LEU  12   0.402  -6.333  -4.128
   94   HD13  LEU  12          3HD1      LEU  12  -0.772  -7.368  -3.314
   95   HD21  LEU  12          3HD2      LEU  12   1.119  -5.365  -2.045
   96   HD22  LEU  12          1HD2      LEU  12   1.764  -6.365  -0.744
   97   HD23  LEU  12          2HD2      LEU  12   0.032  -6.361  -1.075
   98    H    GLN  13           H        GLN  13   0.355 -10.577   1.058
   99    HA   GLN  13           HA       GLN  13  -0.936 -12.341   1.868
  100    HB2  GLN  13           2HB      GLN  13  -2.941 -11.675   0.597
  101    HB3  GLN  13           1HB      GLN  13  -2.261 -12.402  -0.849
  102    HG2  GLN  13           2HG      GLN  13  -2.309 -14.595   0.241
  103    HG3  GLN  13           1HG      GLN  13  -3.010 -13.856   1.679
  104   HE21  GLN  13          1HE2      GLN  13  -5.140 -13.168   1.636
  105   HE22  GLN  13          2HE2      GLN  13  -6.251 -13.644   0.395
  106    H    ASP  14           H        ASP  14   0.812 -12.048  -1.064
  107    HA   ASP  14           HA       ASP  14   1.594 -14.869  -1.034
  108    HB2  ASP  14           2HB      ASP  14   1.061 -13.807  -3.223
  109    HB3  ASP  14           1HB      ASP  14   2.388 -12.679  -2.974
  110    H    GLY  15           H        GLY  15   2.799 -11.635  -0.484
  111    HA2  GLY  15           2HA      GLY  15   4.549 -12.100   1.475
  112    HA3  GLY  15           1HA      GLY  15   5.478 -12.580   0.080
  113    H    SER  16           H        SER  16   4.260 -10.548  -1.646
  114    HA   SER  16           HA       SER  16   6.125  -8.511  -1.342
  115    HB2  SER  16           2HB      SER  16   3.519  -7.919  -2.673
  116    HB3  SER  16           1HB      SER  16   5.162  -7.587  -3.222
  117    HG   SER  16           HG       SER  16   4.443  -9.257  -4.473
  118    H    LYS  17           H        LYS  17   6.045  -6.466  -0.466
  119    HA   LYS  17           HA       LYS  17   3.814  -5.993   1.396
  120    HB2  LYS  17           2HB      LYS  17   6.756  -5.412   1.802
  121    HB3  LYS  17           1HB      LYS  17   5.472  -5.018   2.942
  122    HG2  LYS  17           2HG      LYS  17   4.980  -7.402   3.191
  123    HG3  LYS  17           1HG      LYS  17   6.286  -7.779   2.059
  124    HD2  LYS  17           2HD      LYS  17   7.916  -6.829   3.560
  125    HD3  LYS  17           1HD      LYS  17   6.641  -6.299   4.664
  126    HE2  LYS  17           2HE      LYS  17   6.006  -8.616   5.069
  127    HE3  LYS  17           1HE      LYS  17   7.242  -9.166   3.938
  128    HZ1  LYS  17           3HZ      LYS  17   8.937  -8.276   5.379
  129    HZ2  LYS  17           1HZ      LYS  17   7.951  -9.350   6.245
  130    HZ3  LYS  17           2HZ      LYS  17   7.768  -7.680   6.453
  131    H    VAL  18           H        VAL  18   2.803  -4.109   1.153
  132    HA   VAL  18           HA       VAL  18   4.170  -1.968  -0.351
  133    HB   VAL  18           HB       VAL  18   1.218  -2.466   0.165
  134   HG11  VAL  18          1HG1      VAL  18   1.698  -0.061   0.171
  135   HG12  VAL  18          2HG1      VAL  18   0.796  -0.521  -1.271
  136   HG13  VAL  18          3HG1      VAL  18   2.529  -0.217  -1.377
  137   HG21  VAL  18          3HG2      VAL  18   1.095  -2.783  -2.252
  138   HG22  VAL  18          1HG2      VAL  18   2.228  -3.919  -1.519
  139   HG23  VAL  18          2HG2      VAL  18   2.832  -2.506  -2.384
  140    H    HIS  19           H        HIS  19   4.495  -0.009   0.633
  141    HA   HIS  19           HA       HIS  19   3.265   0.364   3.283
  142    HB2  HIS  19           2HB      HIS  19   5.914   1.588   2.654
  143    HB3  HIS  19           1HB      HIS  19   5.189   1.265   4.215
  144    HD1  HIS  19           1HD      HIS  19   4.750  -1.785   3.970
  145    HD2  HIS  19           2HD      HIS  19   8.169   0.246   2.854
  146    HE1  HIS  19           1HE      HIS  19   6.575  -3.516   3.964
  147    HE2  HIS  19           2HE      HIS  19   8.625  -2.299   3.127
  148    H    VAL  20           H        VAL  20   2.206   2.196   3.517
  149    HA   VAL  20           HA       VAL  20   2.723   4.297   1.534
  150    HB   VAL  20           HB       VAL  20   0.366   4.028   3.415
  151   HG11  VAL  20          1HG1      VAL  20  -0.573   5.930   2.177
  152   HG12  VAL  20          2HG1      VAL  20   0.912   6.049   1.231
  153   HG13  VAL  20          3HG1      VAL  20   0.941   6.373   2.964
  154   HG21  VAL  20          3HG2      VAL  20   0.620   3.609   0.432
  155   HG22  VAL  20          1HG2      VAL  20  -0.905   3.636   1.326
  156   HG23  VAL  20          2HG2      VAL  20   0.283   2.377   1.654
  157    H    PHE  21           H        PHE  21   3.793   6.015   2.175
  158    HA   PHE  21           HA       PHE  21   4.853   5.865   4.878
  159    HB2  PHE  21           2HB      PHE  21   5.804   7.312   2.410
  160    HB3  PHE  21           1HB      PHE  21   6.616   7.389   3.969
  161    HD1  PHE  21           1HD      PHE  21   5.781   5.231   1.112
  162    HD2  PHE  21           2HD      PHE  21   7.955   5.526   4.771
  163    HE1  PHE  21           1HE      PHE  21   7.028   3.194   0.547
  164    HE2  PHE  21           2HE      PHE  21   9.190   3.487   4.200
  165    HZ   PHE  21           HZ       PHE  21   8.766   2.324   2.139
  166    H    LYS  22           H        LYS  22   5.201   7.765   6.094
  167    HA   LYS  22           HA       LYS  22   2.810   9.222   6.418
  168    HB2  LYS  22           2HB      LYS  22   3.960  10.273   8.277
  169    HB3  LYS  22           1HB      LYS  22   4.348   8.556   8.235
  170    HG2  LYS  22           2HG      LYS  22   6.479   8.965   7.329
  171    HG3  LYS  22           1HG      LYS  22   6.122  10.678   7.094
  172    HD2  LYS  22           2HD      LYS  22   5.872  10.922   9.545
  173    HD3  LYS  22           1HD      LYS  22   6.338   9.229   9.730
  174    HE2  LYS  22           2HE      LYS  22   8.509   9.683   8.762
  175    HE3  LYS  22           1HE      LYS  22   8.048  11.358   8.454
  176    HZ1  LYS  22           3HZ      LYS  22   8.207  10.122  11.152
  177    HZ2  LYS  22           1HZ      LYS  22   7.897  11.754  10.799
  178    HZ3  LYS  22           2HZ      LYS  22   9.417  11.089  10.454
  179    H    ASP  23           H        ASP  23   5.369   9.751   4.327
  180    HA   ASP  23           HA       ASP  23   5.086  12.627   4.229
  181    HB2  ASP  23           2HB      ASP  23   6.790  10.762   2.564
  182    HB3  ASP  23           1HB      ASP  23   6.863  12.520   2.531
  183    H    GLY  24           H        GLY  24   3.396  10.080   3.233
  184    HA2  GLY  24           2HA      GLY  24   1.440  10.336   2.028
  185    HA3  GLY  24           1HA      GLY  24   2.170  11.667   1.168
  186    H    LYS  25           H        LYS  25   4.587   9.620   0.866
  187    HA   LYS  25           HA       LYS  25   3.595   8.652  -1.679
  188    HB2  LYS  25           2HB      LYS  25   6.366   8.535  -0.470
  189    HB3  LYS  25           1HB      LYS  25   5.942   7.998  -2.090
  190    HG2  LYS  25           2HG      LYS  25   6.606  10.043  -2.683
  191    HG3  LYS  25           1HG      LYS  25   5.001  10.526  -2.145
  192    HD2  LYS  25           2HD      LYS  25   6.596  12.018  -1.163
  193    HD3  LYS  25           1HD      LYS  25   5.966  10.971   0.110
  194    HE2  LYS  25           2HE      LYS  25   8.389  11.256   0.300
  195    HE3  LYS  25           1HE      LYS  25   7.960   9.578  -0.028
  196    HZ1  LYS  25           3HZ      LYS  25   8.584   9.852  -2.312
  197    HZ2  LYS  25           1HZ      LYS  25   9.868  10.388  -1.345
  198    HZ3  LYS  25           2HZ      LYS  25   8.847  11.511  -2.105
  199    H    MET  26           H        MET  26   4.904   6.345  -2.081
  200    HA   MET  26           HA       MET  26   4.465   4.577   0.136
  201    HB2  MET  26           2HB      MET  26   2.764   3.253  -0.812
  202    HB3  MET  26           1HB      MET  26   2.208   4.916  -0.873
  203    HG2  MET  26           2HG      MET  26   3.293   3.288  -3.135
  204    HG3  MET  26           1HG      MET  26   1.632   3.760  -2.870
  205    HE1  MET  26           3HE      MET  26   1.705   7.606  -3.551
  206    HE2  MET  26           1HE      MET  26   1.816   6.781  -1.996
  207    HE3  MET  26           2HE      MET  26   0.686   6.204  -3.221
  208    H    GLY  27           H        GLY  27   5.208   2.419  -0.285
  209    HA2  GLY  27           2HA      GLY  27   6.925   2.164  -2.643
  210    HA3  GLY  27           1HA      GLY  27   7.677   2.094  -1.059
  211    H    MET  28           H        MET  28   7.655  -0.017  -3.029
  212    HA   MET  28           HA       MET  28   6.014  -1.991  -1.593
  213    HB2  MET  28           2HB      MET  28   5.101  -1.336  -3.837
  214    HB3  MET  28           1HB      MET  28   6.558  -1.996  -4.563
  215    HG2  MET  28           2HG      MET  28   6.010  -4.201  -3.775
  216    HG3  MET  28           1HG      MET  28   4.618  -3.576  -2.893
  217    HE1  MET  28           3HE      MET  28   3.029  -5.660  -5.830
  218    HE2  MET  28           1HE      MET  28   3.118  -5.452  -4.080
  219    HE3  MET  28           2HE      MET  28   4.529  -6.020  -4.975
  220    H    GLU  29           H        GLU  29   6.881  -3.928  -1.173
  221    HA   GLU  29           HA       GLU  29   9.668  -4.433  -2.009
  222    HB2  GLU  29           2HB      GLU  29   8.417  -4.604   0.712
  223    HB3  GLU  29           1HB      GLU  29   9.671  -5.758   0.282
  224    HG2  GLU  29           2HG      GLU  29  11.247  -4.009  -0.095
  225    HG3  GLU  29           1HG      GLU  29  10.002  -2.775   0.123
  226    H    ASN  30           H        ASN  30  10.207  -6.650  -2.213
  227    HA   ASN  30           HA       ASN  30   7.910  -8.348  -2.820
  228    HB2  ASN  30           2HB      ASN  30   9.846  -8.096  -4.425
  229    HB3  ASN  30           1HB      ASN  30  10.841  -8.956  -3.253
  230   HD21  ASN  30          1HD2      ASN  30  11.251 -10.577  -4.613
  231   HD22  ASN  30          2HD2      ASN  30  10.081 -11.780  -5.040
  232    H    LYS  31           H        LYS  31   7.855 -10.545  -2.016
  233    HA   LYS  31           HA       LYS  31   7.940 -10.875   0.654
  234    HB2  LYS  31           2HB      LYS  31   7.756 -13.255   0.280
  235    HB3  LYS  31           1HB      LYS  31   6.819 -12.347  -0.890
  236    HG2  LYS  31           2HG      LYS  31   8.850 -12.642  -2.433
  237    HG3  LYS  31           1HG      LYS  31   9.299 -13.933  -1.311
  238    HD2  LYS  31           2HD      LYS  31   6.654 -13.693  -2.741
  239    HD3  LYS  31           1HD      LYS  31   7.972 -14.773  -3.206
  240    HE2  LYS  31           2HE      LYS  31   7.760 -15.972  -1.111
  241    HE3  LYS  31           1HE      LYS  31   6.531 -14.836  -0.556
  242    HZ1  LYS  31           3HZ      LYS  31   6.324 -16.862  -2.700
  243    HZ2  LYS  31           1HZ      LYS  31   5.237 -15.556  -2.599
  244    HZ3  LYS  31           2HZ      LYS  31   5.344 -16.670  -1.325
  245    H    PHE  32           H        PHE  32  10.762 -11.063  -1.375
  246    HA   PHE  32           HA       PHE  32  12.293 -12.445   0.686
  247    HB2  PHE  32           2HB      PHE  32  13.336 -11.313  -1.910
  248    HB3  PHE  32           1HB      PHE  32  14.112 -12.510  -0.877
  249    HD1  PHE  32           1HD      PHE  32  13.173 -14.819  -0.760
  250    HD2  PHE  32           2HD      PHE  32  11.732 -11.898  -3.475
  251    HE1  PHE  32           1HE      PHE  32  12.081 -16.589  -2.082
  252    HE2  PHE  32           2HE      PHE  32  10.635 -13.631  -4.797
  253    HZ   PHE  32           HZ       PHE  32  10.807 -16.000  -4.110
  254    H    GLY  33           H        GLY  33  11.268  -9.358   0.141
  255    HA2  GLY  33           2HA      GLY  33  11.798  -7.581   1.552
  256    HA3  GLY  33           1HA      GLY  33  13.348  -8.328   1.910
  257    H    LYS  34           H        LYS  34  12.218  -8.009  -1.343
  258    HA   LYS  34           HA       LYS  34  14.463  -6.201  -1.827
  259    HB2  LYS  34           2HB      LYS  34  12.923  -7.995  -3.678
  260    HB3  LYS  34           1HB      LYS  34  14.147  -6.859  -4.223
  261    HG2  LYS  34           2HG      LYS  34  14.707  -8.923  -2.147
  262    HG3  LYS  34           1HG      LYS  34  14.881  -9.259  -3.869
  263    HD2  LYS  34           2HD      LYS  34  16.442  -7.323  -4.008
  264    HD3  LYS  34           1HD      LYS  34  16.324  -7.157  -2.255
  265    HE2  LYS  34           2HE      LYS  34  17.193  -9.450  -2.008
  266    HE3  LYS  34           1HE      LYS  34  17.358  -9.557  -3.762
  267    HZ1  LYS  34           3HZ      LYS  34  18.836  -7.549  -3.578
  268    HZ2  LYS  34           1HZ      LYS  34  19.464  -8.982  -2.923
  269    HZ3  LYS  34           2HZ      LYS  34  18.835  -7.784  -1.899
  270    H    SER  35           H        SER  35  14.298  -4.326  -2.623
  271    HA   SER  35           HA       SER  35  11.738  -3.029  -2.686
  272    HB2  SER  35           2HB      SER  35  13.220  -1.019  -3.289
  273    HB3  SER  35           1HB      SER  35  13.454  -1.764  -1.709
  274    HG   SER  35           HG       SER  35  15.267  -1.369  -3.575
  275    H    MET  36           H        MET  36  10.462  -3.170  -4.406
  276    HA   MET  36           HA       MET  36  11.719  -3.122  -7.058
  277    HB2  MET  36           2HB      MET  36   9.759  -4.693  -7.726
  278    HB3  MET  36           1HB      MET  36  11.180  -5.365  -6.943
  279    HG2  MET  36           2HG      MET  36   9.348  -6.393  -5.921
  280    HG3  MET  36           1HG      MET  36   9.912  -5.187  -4.770
  281    HE1  MET  36           3HE      MET  36   7.699  -4.881  -8.037
  282    HE2  MET  36           1HE      MET  36   6.088  -4.879  -7.320
  283    HE3  MET  36           2HE      MET  36   7.104  -6.316  -7.202
  284    H    ASN  37           H        ASN  37   9.760  -2.930  -8.753
  285    HA   ASN  37           HA       ASN  37   8.783  -0.272  -8.126
  286    HB2  ASN  37           2HB      ASN  37   8.282  -0.135 -10.561
  287    HB3  ASN  37           1HB      ASN  37   9.965  -0.503 -10.220
  288   HD21  ASN  37          1HD2      ASN  37  10.782  -2.524 -10.719
  289   HD22  ASN  37          2HD2      ASN  37   9.943  -3.628 -11.765
  290    H    MET  38           H        MET  38   6.742   0.315  -7.861
  291    HA   MET  38           HA       MET  38   4.713  -1.781  -7.785
  292    HB2  MET  38           2HB      MET  38   4.999  -0.267  -5.840
  293    HB3  MET  38           1HB      MET  38   4.583   1.101  -6.864
  294    HG2  MET  38           2HG      MET  38   2.357   0.201  -7.200
  295    HG3  MET  38           1HG      MET  38   2.768  -1.216  -6.234
  296    HE1  MET  38           3HE      MET  38   0.198   0.492  -5.650
  297    HE2  MET  38           1HE      MET  38   0.268   0.691  -3.899
  298    HE3  MET  38           2HE      MET  38   0.674  -0.863  -4.627
  299    HA   PRO  39           HA       PRO  39   3.264  -0.374 -11.732
  300    HB2  PRO  39           2HB      PRO  39   1.210  -2.100 -12.005
  301    HB3  PRO  39           1HB      PRO  39   2.899  -2.592 -12.172
  302    HG2  PRO  39           2HG      PRO  39   1.038  -2.945  -9.863
  303    HG3  PRO  39           1HG      PRO  39   2.256  -4.061 -10.504
  304    HD2  PRO  39           2HD      PRO  39   2.614  -2.464  -8.289
  305    HD3  PRO  39           1HD      PRO  39   3.934  -3.106  -9.286
  306    H    GLU  40           H        GLU  40   2.136   1.423 -12.076
  307    HA   GLU  40           HA       GLU  40  -0.059   2.148 -10.349
  308    HB2  GLU  40           2HB      GLU  40   1.548   3.867 -11.158
  309    HB3  GLU  40           1HB      GLU  40   0.968   3.597 -12.801
  310    HG2  GLU  40           2HG      GLU  40  -1.265   4.295 -12.136
  311    HG3  GLU  40           1HG      GLU  40  -0.706   4.535 -10.486
  312    H    GLY  41           H        GLY  41  -2.178   2.045 -10.790
  313    HA2  GLY  41           2HA      GLY  41  -4.050   2.013 -12.287
  314    HA3  GLY  41           1HA      GLY  41  -3.011   1.303 -13.516
  315    H    LYS  42           H        LYS  42  -2.025  -0.344 -11.039
  316    HA   LYS  42           HA       LYS  42  -3.896  -2.530 -11.551
  317    HB2  LYS  42           2HB      LYS  42  -1.120  -2.451 -10.387
  318    HB3  LYS  42           1HB      LYS  42  -2.126  -3.891 -10.368
  319    HG2  LYS  42           2HG      LYS  42  -1.430  -2.449 -12.898
  320    HG3  LYS  42           1HG      LYS  42  -0.443  -3.751 -12.220
  321    HD2  LYS  42           2HD      LYS  42  -3.371  -3.982 -12.861
  322    HD3  LYS  42           1HD      LYS  42  -2.077  -4.521 -13.934
  323    HE2  LYS  42           2HE      LYS  42  -1.296  -6.050 -12.171
  324    HE3  LYS  42           1HE      LYS  42  -2.623  -5.519 -11.138
  325    HZ1  LYS  42           3HZ      LYS  42  -4.162  -6.326 -12.887
  326    HZ2  LYS  42           1HZ      LYS  42  -3.239  -7.558 -12.180
  327    HZ3  LYS  42           2HZ      LYS  42  -2.833  -6.976 -13.715
  328    H    VAL  43           H        VAL  43  -5.408  -3.025 -10.134
  329    HA   VAL  43           HA       VAL  43  -5.097  -2.162  -7.367
  330    HB   VAL  43           HB       VAL  43  -7.304  -1.803  -8.430
  331   HG11  VAL  43          1HG1      VAL  43  -8.799  -3.701  -8.831
  332   HG12  VAL  43          2HG1      VAL  43  -7.467  -4.810  -8.503
  333   HG13  VAL  43          3HG1      VAL  43  -7.392  -3.729  -9.894
  334   HG21  VAL  43          3HG2      VAL  43  -7.141  -2.021  -6.006
  335   HG22  VAL  43          1HG2      VAL  43  -7.358  -3.765  -6.139
  336   HG23  VAL  43          2HG2      VAL  43  -8.667  -2.675  -6.599
  337    H    MET  44           H        MET  44  -4.511  -3.461  -5.775
  338    HA   MET  44           HA       MET  44  -4.259  -6.326  -6.375
  339    HB2  MET  44           2HB      MET  44  -2.197  -4.538  -5.077
  340    HB3  MET  44           1HB      MET  44  -2.112  -6.294  -5.070
  341    HG2  MET  44           2HG      MET  44  -1.983  -6.323  -7.490
  342    HG3  MET  44           1HG      MET  44  -2.139  -4.570  -7.537
  343    HE1  MET  44           3HE      MET  44  -0.332  -3.699  -5.050
  344    HE2  MET  44           1HE      MET  44  -0.297  -2.898  -6.621
  345    HE3  MET  44           2HE      MET  44   1.208  -3.413  -5.861
  346    H    GLU  45           H        GLU  45  -4.155  -7.685  -4.463
  347    HA   GLU  45           HA       GLU  45  -5.796  -6.505  -2.343
  348    HB2  GLU  45           2HB      GLU  45  -5.738  -9.247  -3.535
  349    HB3  GLU  45           1HB      GLU  45  -6.356  -8.998  -1.906
  350    HG2  GLU  45           2HG      GLU  45  -7.967  -7.390  -2.760
  351    HG3  GLU  45           1HG      GLU  45  -7.368  -7.658  -4.400
  352    H    THR  46           H        THR  46  -5.701  -7.718  -0.319
  353    HA   THR  46           HA       THR  46  -2.900  -8.219   0.441
  354    HB   THR  46           HB       THR  46  -3.308  -7.186   2.585
  355    HG1  THR  46           1HG      THR  46  -5.557  -6.004   2.556
  356   HG21  THR  46          3HG2      THR  46  -4.394  -5.402   0.403
  357   HG22  THR  46          1HG2      THR  46  -2.684  -5.698   0.716
  358   HG23  THR  46          2HG2      THR  46  -3.670  -4.876   1.924
  359    H    ARG  47           H        ARG  47  -2.689  -9.501   2.461
  360    HA   ARG  47           HA       ARG  47  -4.102 -11.915   2.486
  361    HB2  ARG  47           2HB      ARG  47  -3.228 -12.144   4.828
  362    HB3  ARG  47           1HB      ARG  47  -2.020 -11.854   3.586
  363    HG2  ARG  47           2HG      ARG  47  -1.774  -9.596   4.265
  364    HG3  ARG  47           1HG      ARG  47  -3.170  -9.713   5.342
  365    HD2  ARG  47           2HD      ARG  47  -2.042 -11.220   6.777
  366    HD3  ARG  47           1HD      ARG  47  -0.723 -11.426   5.625
  367    HE   ARG  47           HE       ARG  47  -0.181  -9.040   6.073
  368   HH11  ARG  47          1HH1      ARG  47  -2.022 -10.851   8.432
  369   HH12  ARG  47          2HH1      ARG  47  -1.439  -9.920   9.778
  370   HH21  ARG  47          1HH2      ARG  47   0.599  -7.839   7.794
  371   HH22  ARG  47          2HH2      ARG  47   0.081  -8.206   9.422
  372    H    ASP  48           H        ASP  48  -4.982  -8.860   3.625
  373    HA   ASP  48           HA       ASP  48  -6.734  -9.895   5.720
  374    HB2  ASP  48           2HB      ASP  48  -5.110  -8.149   6.301
  375    HB3  ASP  48           1HB      ASP  48  -5.844  -7.068   5.118
  376    H    GLY  49           H        GLY  49  -6.860  -8.968   2.509
  377    HA2  GLY  49           2HA      GLY  49  -8.811  -9.333   1.249
  378    HA3  GLY  49           1HA      GLY  49  -9.772  -9.040   2.691
  379    H    THR  50           H        THR  50  -7.334  -6.688   2.251
  380    HA   THR  50           HA       THR  50  -9.366  -4.775   1.429
  381    HB   THR  50           HB       THR  50  -7.007  -3.361   1.701
  382    HG1  THR  50           1HG      THR  50  -6.679  -4.452   4.065
  383   HG21  THR  50          3HG2      THR  50  -9.209  -2.727   2.587
  384   HG22  THR  50          1HG2      THR  50  -7.940  -2.551   3.801
  385   HG23  THR  50          2HG2      THR  50  -9.037  -3.934   3.862
  386    H    LYS  51           H        LYS  51  -9.109  -3.475  -0.408
  387    HA   LYS  51           HA       LYS  51  -7.184  -4.525  -2.370
  388    HB2  LYS  51           2HB      LYS  51  -9.795  -3.106  -2.952
  389    HB3  LYS  51           1HB      LYS  51  -8.693  -3.788  -4.136
  390    HG2  LYS  51           2HG      LYS  51 -10.257  -5.443  -4.057
  391    HG3  LYS  51           1HG      LYS  51  -9.161  -6.011  -2.796
  392    HD2  LYS  51           2HD      LYS  51 -10.571  -5.032  -1.083
  393    HD3  LYS  51           1HD      LYS  51 -11.635  -4.352  -2.314
  394    HE2  LYS  51           2HE      LYS  51 -12.706  -6.297  -1.489
  395    HE3  LYS  51           1HE      LYS  51 -12.076  -6.709  -3.079
  396    HZ1  LYS  51           3HZ      LYS  51 -10.278  -7.899  -2.091
  397    HZ2  LYS  51           1HZ      LYS  51 -11.715  -8.435  -1.368
  398    HZ3  LYS  51           2HZ      LYS  51 -10.699  -7.365  -0.533
  399    H    ILE  52           H        ILE  52  -5.726  -3.157  -3.188
  400    HA   ILE  52           HA       ILE  52  -6.065  -0.278  -2.731
  401    HB   ILE  52           HB       ILE  52  -3.671  -0.095  -2.073
  402   HG12  ILE  52          2HG1      ILE  52  -3.813  -3.112  -1.798
  403   HG13  ILE  52          1HG1      ILE  52  -2.948  -2.262  -3.074
  404   HG21  ILE  52          1HG2      ILE  52  -5.429  -0.076  -0.380
  405   HG22  ILE  52          2HG2      ILE  52  -3.968  -0.848   0.234
  406   HG23  ILE  52          3HG2      ILE  52  -5.344  -1.833  -0.259
  407   HD11  ILE  52          3HD1      ILE  52  -1.501  -1.235  -1.379
  408   HD12  ILE  52          1HD1      ILE  52  -1.420  -2.997  -1.357
  409   HD13  ILE  52          2HD1      ILE  52  -2.350  -2.142  -0.128
  410    H    ILE  53           H        ILE  53  -4.685   1.045  -4.051
  411    HA   ILE  53           HA       ILE  53  -3.153  -0.130  -6.163
  412    HB   ILE  53           HB       ILE  53  -5.001  -0.457  -7.492
  413   HG12  ILE  53          2HG1      ILE  53  -4.170   2.396  -8.005
  414   HG13  ILE  53          1HG1      ILE  53  -3.565   0.942  -8.785
  415   HG21  ILE  53          1HG2      ILE  53  -6.669   0.365  -5.944
  416   HG22  ILE  53          2HG2      ILE  53  -6.989   0.962  -7.574
  417   HG23  ILE  53          3HG2      ILE  53  -6.268   2.030  -6.369
  418   HD11  ILE  53          3HD1      ILE  53  -5.677   0.635  -9.914
  419   HD12  ILE  53          1HD1      ILE  53  -5.042   2.253 -10.225
  420   HD13  ILE  53          2HD1      ILE  53  -6.355   2.026  -9.067
  421    H    MET  54           H        MET  54  -1.920   1.390  -7.312
  422    HA   MET  54           HA       MET  54  -1.886   4.083  -6.120
  423    HB2  MET  54           2HB      MET  54   0.245   2.811  -5.875
  424    HB3  MET  54           1HB      MET  54   0.322   2.641  -7.623
  425    HG2  MET  54           2HG      MET  54   0.423   5.100  -7.823
  426    HG3  MET  54           1HG      MET  54   0.451   5.215  -6.066
  427    HE1  MET  54           3HE      MET  54   2.233   2.625  -8.473
  428    HE2  MET  54           1HE      MET  54   3.815   3.387  -8.643
  429    HE3  MET  54           2HE      MET  54   2.379   4.178  -9.295
  430    H    LYS  55           H        LYS  55  -2.649   5.641  -7.417
  431    HA   LYS  55           HA       LYS  55  -2.252   5.403 -10.295
  432    HB2  LYS  55           2HB      LYS  55  -4.548   4.456  -9.648
  433    HB3  LYS  55           1HB      LYS  55  -4.985   6.112  -9.249
  434    HG2  LYS  55           2HG      LYS  55  -5.734   5.609 -11.476
  435    HG3  LYS  55           1HG      LYS  55  -4.420   6.786 -11.558
  436    HD2  LYS  55           2HD      LYS  55  -2.861   4.831 -11.936
  437    HD3  LYS  55           1HD      LYS  55  -4.301   3.835 -12.145
  438    HE2  LYS  55           2HE      LYS  55  -3.545   4.486 -14.311
  439    HE3  LYS  55           1HE      LYS  55  -5.015   5.392 -13.960
  440    HZ1  LYS  55           3HZ      LYS  55  -3.334   6.801 -14.949
  441    HZ2  LYS  55           1HZ      LYS  55  -2.237   6.429 -13.709
  442    HZ3  LYS  55           2HZ      LYS  55  -3.655   7.303 -13.365
  443    H    GLY  56           H        GLY  56  -1.842   7.304 -11.247
  444    HA2  GLY  56           2HA      GLY  56  -1.312   9.530 -11.420
  445    HA3  GLY  56           1HA      GLY  56  -2.611   9.839 -10.275
  446    H    ASN  57           H        ASN  57   0.148   7.788  -9.612
  447    HA   ASN  57           HA       ASN  57   1.692   7.806  -7.952
  448    HB2  ASN  57           2HB      ASN  57   1.641  10.680  -8.786
  449    HB3  ASN  57           1HB      ASN  57   2.603  10.205  -7.389
  450   HD21  ASN  57          1HD2      ASN  57   2.092   8.007 -10.033
  451   HD22  ASN  57          2HD2      ASN  57   3.708   8.069 -10.654
  452    H    GLU  58           H        GLU  58  -1.177   8.131  -7.369
  453    HA   GLU  58           HA       GLU  58  -0.928   9.028  -4.566
  454    HB2  GLU  58           2HB      GLU  58  -3.407   8.904  -6.293
  455    HB3  GLU  58           1HB      GLU  58  -3.385   9.321  -4.587
  456    HG2  GLU  58           2HG      GLU  58  -1.986  11.286  -5.127
  457    HG3  GLU  58           1HG      GLU  58  -2.146  10.883  -6.840
  458    H    ILE  59           H        ILE  59  -1.886   7.701  -2.986
  459    HA   ILE  59           HA       ILE  59  -2.287   4.958  -3.894
  460    HB   ILE  59           HB       ILE  59  -1.127   6.096  -1.501
  461   HG12  ILE  59          2HG1      ILE  59  -0.002   4.499  -2.947
  462   HG13  ILE  59          1HG1      ILE  59  -0.175   3.825  -1.329
  463   HG21  ILE  59          1HG2      ILE  59  -2.009   4.537   0.141
  464   HG22  ILE  59          2HG2      ILE  59  -3.163   3.923  -1.040
  465   HG23  ILE  59          3HG2      ILE  59  -3.284   5.589  -0.473
  466   HD11  ILE  59          3HD1      ILE  59  -1.894   3.159  -3.703
  467   HD12  ILE  59          1HD1      ILE  59  -2.066   2.488  -2.081
  468   HD13  ILE  59          2HD1      ILE  59  -0.613   2.153  -3.026
  469    H    PHE  60           H        PHE  60  -4.207   4.347  -4.302
  470    HA   PHE  60           HA       PHE  60  -6.534   5.289  -2.869
  471    HB2  PHE  60           2HB      PHE  60  -7.157   4.753  -5.010
  472    HB3  PHE  60           1HB      PHE  60  -5.895   3.557  -5.194
  473    HD1  PHE  60           1HD      PHE  60  -6.390   1.384  -3.571
  474    HD2  PHE  60           2HD      PHE  60  -9.296   3.990  -5.251
  475    HE1  PHE  60           1HE      PHE  60  -8.124  -0.343  -3.275
  476    HE2  PHE  60           2HE      PHE  60 -11.016   2.281  -4.967
  477    HZ   PHE  60           HZ       PHE  60 -10.292  -0.072  -4.357
  478    H    ARG  61           H        ARG  61  -6.844   4.591  -0.844
  479    HA   ARG  61           HA       ARG  61  -6.359   1.724  -0.376
  480    HB2  ARG  61           2HB      ARG  61  -5.470   3.676   1.260
  481    HB3  ARG  61           1HB      ARG  61  -7.114   3.539   1.875
  482    HG2  ARG  61           2HG      ARG  61  -6.717   1.100   2.194
  483    HG3  ARG  61           1HG      ARG  61  -5.025   1.379   1.775
  484    HD2  ARG  61           2HD      ARG  61  -6.563   2.388   4.149
  485    HD3  ARG  61           1HD      ARG  61  -5.080   1.435   4.120
  486    HE   ARG  61           HE       ARG  61  -4.435   3.776   2.851
  487   HH11  ARG  61          1HH1      ARG  61  -5.601   2.909   6.035
  488   HH12  ARG  61          2HH1      ARG  61  -4.940   4.323   6.800
  489   HH21  ARG  61          1HH2      ARG  61  -3.592   5.641   3.831
  490   HH22  ARG  61          2HH2      ARG  61  -3.821   5.895   5.541
  491    H    LEU  62           H        LEU  62  -8.136   0.790  -0.992
  492    HA   LEU  62           HA       LEU  62 -10.353   0.380  -1.540
  493    HB2  LEU  62           2HB      LEU  62 -10.945   2.016   0.911
  494    HB3  LEU  62           1HB      LEU  62 -11.921   0.723   0.218
  495    HG   LEU  62           HG       LEU  62  -9.204   0.411   1.466
  496   HD11  LEU  62          1HD1      LEU  62 -11.926  -0.403   2.413
  497   HD12  LEU  62          2HD1      LEU  62 -10.921   0.890   3.075
  498   HD13  LEU  62          3HD1      LEU  62 -10.395  -0.790   3.196
  499   HD21  LEU  62          3HD2      LEU  62 -11.113  -1.687   0.453
  500   HD22  LEU  62          1HD2      LEU  62  -9.482  -1.940   1.081
  501   HD23  LEU  62          2HD2      LEU  62  -9.723  -1.092  -0.455
  502    H    ASP  63           H        ASP  63  -9.310   3.601  -1.266
  503    HA   ASP  63           HA       ASP  63  -9.946   5.576  -2.144
  504    HB2  ASP  63           2HB      ASP  63 -10.664   4.880  -4.195
  505    HB3  ASP  63           1HB      ASP  63 -11.810   3.731  -3.514
  506    H    GLU  64           H        GLU  64 -12.058   3.590  -0.372
  507    HA   GLU  64           HA       GLU  64 -13.656   5.846   0.610
  508    HB2  GLU  64           2HB      GLU  64 -14.560   3.529  -0.229
  509    HB3  GLU  64           1HB      GLU  64 -14.097   2.977   1.373
  510    HG2  GLU  64           2HG      GLU  64 -16.421   3.552   1.369
  511    HG3  GLU  64           1HG      GLU  64 -15.537   4.720   2.354
  512    H    ALA  65           H        ALA  65 -10.959   3.911   1.495
  513    HA   ALA  65           HA       ALA  65 -11.301   3.833   4.307
  514    HB1  ALA  65           1HB      ALA  65  -9.575   2.571   2.830
  515    HB2  ALA  65           2HB      ALA  65  -9.113   3.075   4.459
  516    HB3  ALA  65           3HB      ALA  65  -8.578   4.013   3.064
  517    H    LEU  66           H        LEU  66 -10.065   6.207   2.105
  518    HA   LEU  66           HA       LEU  66  -8.992   7.925   4.150
  519    HB2  LEU  66           2HB      LEU  66  -9.490   8.481   1.226
  520    HB3  LEU  66           1HB      LEU  66  -8.492   9.431   2.305
  521    HG   LEU  66           HG       LEU  66  -6.986   8.222   1.006
  522   HD11  LEU  66          1HD1      LEU  66  -7.319   6.658   3.548
  523   HD12  LEU  66          2HD1      LEU  66  -6.386   8.141   3.341
  524   HD13  LEU  66          3HD1      LEU  66  -5.879   6.659   2.528
  525   HD21  LEU  66          3HD2      LEU  66  -7.093   5.902   0.447
  526   HD22  LEU  66          1HD2      LEU  66  -8.638   6.646   0.048
  527   HD23  LEU  66          2HD2      LEU  66  -8.483   5.664   1.505
  528    H    ARG  67           H        ARG  67 -12.012   7.223   3.831
  529    HA   ARG  67           HA       ARG  67 -13.071   9.913   3.437
  530    HB2  ARG  67           2HB      ARG  67 -13.898   7.610   2.326
  531    HB3  ARG  67           1HB      ARG  67 -14.865   7.574   3.791
  532    HG2  ARG  67           2HG      ARG  67 -16.276   8.638   2.377
  533    HG3  ARG  67           1HG      ARG  67 -15.446  10.025   3.076
  534    HD2  ARG  67           2HD      ARG  67 -15.503  10.399   0.742
  535    HD3  ARG  67           1HD      ARG  67 -13.855   9.881   1.113
  536    HE   ARG  67           HE       ARG  67 -15.621   7.722   0.398
  537   HH11  ARG  67          1HH1      ARG  67 -13.418  10.155  -0.849
  538   HH12  ARG  67          2HH1      ARG  67 -13.114   9.298  -2.330
  539   HH21  ARG  67          1HH2      ARG  67 -15.230   6.602  -1.524
  540   HH22  ARG  67          2HH2      ARG  67 -14.124   7.253  -2.703
  541    H    LYS  68           H        LYS  68 -15.406   9.582   4.814
  542    HA   LYS  68           HA       LYS  68 -14.496   9.451   7.602
  543    HB2  LYS  68           2HB      LYS  68 -16.429  11.022   8.069
  544    HB3  LYS  68           1HB      LYS  68 -15.088  11.704   7.165
  545    HG2  LYS  68           2HG      LYS  68 -16.337  11.462   5.094
  546    HG3  LYS  68           1HG      LYS  68 -17.679  10.735   5.980
  547    HD2  LYS  68           2HD      LYS  68 -17.986  12.793   7.242
  548    HD3  LYS  68           1HD      LYS  68 -16.608  13.522   6.414
  549    HE2  LYS  68           2HE      LYS  68 -19.151  12.577   5.093
  550    HE3  LYS  68           1HE      LYS  68 -18.755  14.252   5.473
  551    HZ1  LYS  68           3HZ      LYS  68 -17.231  12.494   3.624
  552    HZ2  LYS  68           1HZ      LYS  68 -16.853  14.106   3.993
  553    HZ3  LYS  68           2HZ      LYS  68 -18.284  13.734   3.162
  554    H    GLY  69           H        GLY  69 -15.109   7.622   8.478
  555    HA2  GLY  69           2HA      GLY  69 -16.959   6.353   9.419
  556    HA3  GLY  69           1HA      GLY  69 -17.838   6.639   7.923
  557    H    HIS  70           H        HIS  70 -15.066   4.990   9.329
  558    HA   HIS  70           HA       HIS  70 -14.325   3.553   7.013
  559    HB2  HIS  70           2HB      HIS  70 -13.702   3.337   9.920
  560    HB3  HIS  70           1HB      HIS  70 -13.304   1.975   8.879
  561    HD1  HIS  70           1HD      HIS  70 -11.330   2.225   7.293
  562    HD2  HIS  70           2HD      HIS  70 -12.235   5.709   9.388
  563    HE1  HIS  70           1HE      HIS  70  -9.384   3.776   6.912
  564    HE2  HIS  70           2HE      HIS  70 -10.033   5.938   8.043
  565    H    SER  71           H        SER  71 -14.887   1.590   6.231
  566    HA   SER  71           HA       SER  71 -17.337   0.430   7.293
  567    HB2  SER  71           2HB      SER  71 -15.856  -0.347   4.778
  568    HB3  SER  71           1HB      SER  71 -17.543  -0.676   5.179
  569    HG   SER  71           HG       SER  71 -17.698   1.750   5.261
  570    H    GLU  72           H        GLU  72 -13.958  -0.283   6.914
  571    HA   GLU  72           HA       GLU  72 -14.305  -3.109   7.477
  572    HB2  GLU  72           2HB      GLU  72 -11.987  -3.366   6.999
  573    HB3  GLU  72           1HB      GLU  72 -12.614  -2.243   5.807
  574    HG2  GLU  72           2HG      GLU  72 -11.104  -1.433   8.284
  575    HG3  GLU  72           1HG      GLU  72 -10.372  -1.656   6.702
  576    H    GLY  73           H        GLY  73 -13.129  -0.198   9.034
  577    HA2  GLY  73           2HA      GLY  73 -13.675  -0.250  11.511
  578    HA3  GLY  73           1HA      GLY  73 -12.728  -1.732  11.528
  579    H    GLY  74           H        GLY  74 -10.525  -1.306  10.218
  580    HA2  GLY  74           2HA      GLY  74  -8.662   0.126   9.907
  581    HA3  GLY  74           1HA      GLY  74  -9.403   1.292  10.996
  Start of MODEL    8
    1    H1   VAL   1           1HT      VAL   1  14.327   1.941   3.480
    2    H2   VAL   1           2HT      VAL   1  13.602   0.770   2.492
    3    H3   VAL   1           3HT      VAL   1  14.093   0.367   4.062
    4    HA   VAL   1           HA       VAL   1  12.027   2.397   3.471
    5    HB   VAL   1           HB       VAL   1  11.641  -0.493   4.281
    6   HG11  VAL   1          2HG1      VAL   1   9.607   1.683   3.816
    7   HG12  VAL   1          3HG1      VAL   1  10.042   0.988   5.378
    8   HG13  VAL   1          1HG1      VAL   1   9.249  -0.009   4.157
    9   HG21  VAL   1          1HG2      VAL   1  10.897   0.945   1.741
   10   HG22  VAL   1          2HG2      VAL   1  10.461  -0.716   2.144
   11   HG23  VAL   1          3HG2      VAL   1  12.155  -0.278   1.918
   12    H    ASP   2           H        ASP   2  11.876   3.710   5.189
   13    HA   ASP   2           HA       ASP   2  12.899   2.812   7.761
   14    HB2  ASP   2           2HB      ASP   2  13.574   5.021   7.167
   15    HB3  ASP   2           1HB      ASP   2  11.924   5.495   6.782
   16    H    MET   3           H        MET   3  11.719   2.584   9.603
   17    HA   MET   3           HA       MET   3   8.903   1.980   9.178
   18    HB2  MET   3           2HB      MET   3  10.678   1.495  11.577
   19    HB3  MET   3           1HB      MET   3   9.046   0.893  11.376
   20    HG2  MET   3           2HG      MET   3  11.268   0.189   9.494
   21    HG3  MET   3           1HG      MET   3  10.920  -0.735  10.945
   22    HE1  MET   3           3HE      MET   3   9.041   0.802   7.800
   23    HE2  MET   3           1HE      MET   3   8.637  -0.725   7.014
   24    HE3  MET   3           2HE      MET   3  10.323  -0.305   7.312
   25    H    SER   4           H        SER   4  10.807   4.487  10.436
   26    HA   SER   4           HA       SER   4   8.975   5.306  12.517
   27    HB2  SER   4           2HB      SER   4  11.245   6.935  11.377
   28    HB3  SER   4           1HB      SER   4  10.570   6.990  13.007
   29    HG   SER   4           HG       SER   4  12.250   5.050  11.833
   30    H    ASN   5           H        ASN   5   9.690   6.063   9.206
   31    HA   ASN   5           HA       ASN   5   8.045   8.465   9.263
   32    HB2  ASN   5           2HB      ASN   5  10.117   8.777   8.165
   33    HB3  ASN   5           1HB      ASN   5   9.950   7.295   7.235
   34   HD21  ASN   5          1HD2      ASN   5   8.592   7.296   5.419
   35   HD22  ASN   5          2HD2      ASN   5   8.073   8.773   4.665
   36    H    VAL   6           H        VAL   6   7.409   5.268   8.907
   37    HA   VAL   6           HA       VAL   6   5.541   5.789   6.709
   38    HB   VAL   6           HB       VAL   6   7.271   4.026   6.380
   39   HG11  VAL   6          1HG1      VAL   6   6.873   1.803   7.325
   40   HG12  VAL   6          2HG1      VAL   6   5.609   2.475   8.361
   41   HG13  VAL   6          3HG1      VAL   6   7.286   2.988   8.568
   42   HG21  VAL   6          3HG2      VAL   6   4.405   3.145   6.196
   43   HG22  VAL   6          1HG2      VAL   6   5.761   2.523   5.255
   44   HG23  VAL   6          2HG2      VAL   6   5.245   4.198   5.055
   45    H    VAL   7           H        VAL   7   3.400   5.580   6.942
   46    HA   VAL   7           HA       VAL   7   2.469   5.458   9.689
   47    HB   VAL   7           HB       VAL   7   0.205   6.047   8.698
   48   HG11  VAL   7          1HG1      VAL   7   2.479   7.962   8.201
   49   HG12  VAL   7          2HG1      VAL   7   1.676   7.693   9.749
   50   HG13  VAL   7          3HG1      VAL   7   0.778   8.386   8.397
   51   HG21  VAL   7          3HG2      VAL   7   0.126   6.944   6.468
   52   HG22  VAL   7          1HG2      VAL   7   0.690   5.275   6.397
   53   HG23  VAL   7          2HG2      VAL   7   1.840   6.607   6.227
   54    H    LYS   8           H        LYS   8   2.401   3.381   6.900
   55    HA   LYS   8           HA       LYS   8   1.361   1.244   8.450
   56    HB2  LYS   8           2HB      LYS   8  -0.745   2.503   8.001
   57    HB3  LYS   8           1HB      LYS   8  -0.494   2.244   6.282
   58    HG2  LYS   8           2HG      LYS   8  -2.076   0.639   7.142
   59    HG3  LYS   8           1HG      LYS   8  -0.592  -0.188   6.659
   60    HD2  LYS   8           2HD      LYS   8   0.143  -0.149   9.027
   61    HD3  LYS   8           1HD      LYS   8  -1.409   0.565   9.468
   62    HE2  LYS   8           2HE      LYS   8  -2.570  -1.406   8.636
   63    HE3  LYS   8           1HE      LYS   8  -1.036  -2.117   8.136
   64    HZ1  LYS   8           3HZ      LYS   8  -1.917  -1.532  10.910
   65    HZ2  LYS   8           1HZ      LYS   8  -0.341  -2.012  10.502
   66    HZ3  LYS   8           2HZ      LYS   8  -1.641  -3.057  10.216
   67    H    THR   9           H        THR   9   1.950  -0.587   7.702
   68    HA   THR   9           HA       THR   9   2.860  -0.839   4.923
   69    HB   THR   9           HB       THR   9   3.556  -2.375   7.408
   70    HG1  THR   9           1HG      THR   9   5.350  -1.265   7.396
   71   HG21  THR   9          3HG2      THR   9   3.422  -3.948   5.541
   72   HG22  THR   9          1HG2      THR   9   5.095  -3.706   6.046
   73   HG23  THR   9          2HG2      THR   9   4.489  -2.912   4.594
   74    H    TYR  10           H        TYR  10   2.062  -2.486   3.649
   75    HA   TYR  10           HA       TYR  10  -0.196  -4.013   4.735
   76    HB2  TYR  10           2HB      TYR  10  -0.025  -2.430   2.206
   77    HB3  TYR  10           1HB      TYR  10  -1.109  -3.819   2.318
   78    HD1  TYR  10           2HD      TYR  10  -2.643  -3.850   4.464
   79    HD2  TYR  10           1HD      TYR  10  -0.780  -0.396   2.844
   80    HE1  TYR  10           2HE      TYR  10  -4.328  -2.428   5.565
   81    HE2  TYR  10           1HE      TYR  10  -2.442   1.031   3.915
   82    HH   TYR  10           HH       TYR  10  -4.652   0.938   4.829
   83    H    ASP  11           H        ASP  11  -0.409  -6.002   4.301
   84    HA   ASP  11           HA       ASP  11   1.795  -7.315   2.915
   85    HB2  ASP  11           2HB      ASP  11  -0.442  -8.551   4.558
   86    HB3  ASP  11           1HB      ASP  11   0.983  -9.366   3.948
   87    H    LEU  12           H        LEU  12   1.547  -7.868   0.909
   88    HA   LEU  12           HA       LEU  12  -1.089  -8.064  -0.305
   89    HB2  LEU  12           2HB      LEU  12   1.622  -8.685  -1.502
   90    HB3  LEU  12           1HB      LEU  12   0.106  -8.628  -2.382
   91    HG   LEU  12           HG       LEU  12   1.687  -6.349  -1.237
   92   HD11  LEU  12          1HD1      LEU  12   1.424  -5.447  -3.485
   93   HD12  LEU  12          2HD1      LEU  12   0.457  -6.849  -3.940
   94   HD13  LEU  12          3HD1      LEU  12   2.157  -7.049  -3.527
   95   HD21  LEU  12          3HD2      LEU  12  -1.196  -6.242  -2.107
   96   HD22  LEU  12          1HD2      LEU  12  -0.181  -4.858  -1.698
   97   HD23  LEU  12          2HD2      LEU  12  -0.604  -6.040  -0.459
   98    H    GLN  13           H        GLN  13  -1.985 -10.057  -1.094
   99    HA   GLN  13           HA       GLN  13  -1.671 -12.100   0.788
  100    HB2  GLN  13           2HB      GLN  13  -3.661 -11.479  -0.797
  101    HB3  GLN  13           1HB      GLN  13  -2.918 -12.672  -1.858
  102    HG2  GLN  13           2HG      GLN  13  -3.088 -14.361  -0.156
  103    HG3  GLN  13           1HG      GLN  13  -3.711 -13.174   0.992
  104   HE21  GLN  13          1HE2      GLN  13  -4.419 -15.162  -1.761
  105   HE22  GLN  13          2HE2      GLN  13  -6.134 -14.891  -1.767
  106    H    ASP  14           H        ASP  14   0.196 -11.463  -1.925
  107    HA   ASP  14           HA       ASP  14   1.004 -14.229  -2.351
  108    HB2  ASP  14           2HB      ASP  14   2.508 -13.184  -4.109
  109    HB3  ASP  14           1HB      ASP  14   0.778 -13.009  -4.384
  110    H    GLY  15           H        GLY  15   1.938 -11.408  -0.662
  111    HA2  GLY  15           2HA      GLY  15   3.454 -12.043   1.233
  112    HA3  GLY  15           1HA      GLY  15   4.525 -12.658  -0.008
  113    H    SER  16           H        SER  16   3.649 -10.266  -1.700
  114    HA   SER  16           HA       SER  16   5.881  -8.654  -1.124
  115    HB2  SER  16           2HB      SER  16   3.444  -7.911  -2.751
  116    HB3  SER  16           1HB      SER  16   5.051  -7.202  -2.876
  117    HG   SER  16           HG       SER  16   4.127  -9.726  -3.714
  118    H    LYS  17           H        LYS  17   5.922  -6.432  -0.434
  119    HA   LYS  17           HA       LYS  17   3.797  -5.877   1.525
  120    HB2  LYS  17           2HB      LYS  17   6.766  -5.430   1.868
  121    HB3  LYS  17           1HB      LYS  17   5.519  -5.085   3.065
  122    HG2  LYS  17           2HG      LYS  17   4.942  -7.499   3.074
  123    HG3  LYS  17           1HG      LYS  17   6.309  -7.786   1.992
  124    HD2  LYS  17           2HD      LYS  17   7.840  -6.935   3.673
  125    HD3  LYS  17           1HD      LYS  17   6.486  -6.575   4.750
  126    HE2  LYS  17           2HE      LYS  17   7.576  -8.671   5.371
  127    HE3  LYS  17           1HE      LYS  17   5.919  -8.947   4.842
  128    HZ1  LYS  17           3HZ      LYS  17   6.795  -9.589   2.659
  129    HZ2  LYS  17           1HZ      LYS  17   7.387 -10.591   3.891
  130    HZ3  LYS  17           2HZ      LYS  17   8.377  -9.382   3.232
  131    H    VAL  18           H        VAL  18   2.904  -3.958   1.416
  132    HA   VAL  18           HA       VAL  18   4.197  -1.844  -0.193
  133    HB   VAL  18           HB       VAL  18   1.272  -2.312   0.478
  134   HG11  VAL  18          1HG1      VAL  18   2.528  -0.132  -1.199
  135   HG12  VAL  18          2HG1      VAL  18   1.716   0.078   0.356
  136   HG13  VAL  18          3HG1      VAL  18   0.798  -0.445  -1.057
  137   HG21  VAL  18          3HG2      VAL  18   2.763  -2.543  -2.136
  138   HG22  VAL  18          1HG2      VAL  18   1.019  -2.705  -1.938
  139   HG23  VAL  18          2HG2      VAL  18   2.105  -3.872  -1.182
  140    H    HIS  19           H        HIS  19   4.294   0.281   0.733
  141    HA   HIS  19           HA       HIS  19   3.055   0.590   3.369
  142    HB2  HIS  19           2HB      HIS  19   5.661   1.942   3.131
  143    HB3  HIS  19           1HB      HIS  19   4.896   1.202   4.523
  144    HD1  HIS  19           1HD      HIS  19   5.613  -1.157   5.136
  145    HD2  HIS  19           2HD      HIS  19   7.225   0.242   1.614
  146    HE1  HIS  19           1HE      HIS  19   7.387  -2.829   4.501
  147    HE2  HIS  19           2HE      HIS  19   8.261  -2.038   2.272
  148    H    VAL  20           H        VAL  20   2.187   2.518   3.746
  149    HA   VAL  20           HA       VAL  20   2.587   4.601   1.711
  150    HB   VAL  20           HB       VAL  20   0.425   4.467   3.831
  151   HG11  VAL  20          1HG1      VAL  20   0.984   6.753   3.134
  152   HG12  VAL  20          2HG1      VAL  20  -0.616   6.291   2.552
  153   HG13  VAL  20          3HG1      VAL  20   0.754   6.302   1.445
  154   HG21  VAL  20          3HG2      VAL  20   0.198   2.676   2.144
  155   HG22  VAL  20          1HG2      VAL  20   0.206   3.899   0.872
  156   HG23  VAL  20          2HG2      VAL  20  -1.106   3.861   2.049
  157    H    PHE  21           H        PHE  21   3.776   6.308   2.254
  158    HA   PHE  21           HA       PHE  21   4.947   6.208   4.923
  159    HB2  PHE  21           2HB      PHE  21   5.884   7.396   2.314
  160    HB3  PHE  21           1HB      PHE  21   6.748   7.601   3.833
  161    HD1  PHE  21           1HD      PHE  21   5.841   5.175   1.167
  162    HD2  PHE  21           2HD      PHE  21   7.920   5.774   4.852
  163    HE1  PHE  21           1HE      PHE  21   7.056   3.073   0.842
  164    HE2  PHE  21           2HE      PHE  21   9.129   3.668   4.509
  165    HZ   PHE  21           HZ       PHE  21   8.700   2.317   2.503
  166    H    LYS  22           H        LYS  22   5.499   8.202   6.026
  167    HA   LYS  22           HA       LYS  22   3.241   9.825   6.426
  168    HB2  LYS  22           2HB      LYS  22   6.090   9.923   7.360
  169    HB3  LYS  22           1HB      LYS  22   5.016  11.273   7.700
  170    HG2  LYS  22           2HG      LYS  22   3.559   9.889   8.983
  171    HG3  LYS  22           1HG      LYS  22   4.417   8.429   8.483
  172    HD2  LYS  22           2HD      LYS  22   4.992   9.207  10.782
  173    HD3  LYS  22           1HD      LYS  22   6.376   9.088   9.695
  174    HE2  LYS  22           2HE      LYS  22   6.557  11.121  10.952
  175    HE3  LYS  22           1HE      LYS  22   6.199  11.521   9.274
  176    HZ1  LYS  22           3HZ      LYS  22   4.244  11.474  11.512
  177    HZ2  LYS  22           1HZ      LYS  22   3.868  11.832   9.895
  178    HZ3  LYS  22           2HZ      LYS  22   4.883  12.861  10.778
  179    H    ASP  23           H        ASP  23   5.866  10.113   4.239
  180    HA   ASP  23           HA       ASP  23   5.462  12.965   3.871
  181    HB2  ASP  23           2HB      ASP  23   7.436  12.764   2.316
  182    HB3  ASP  23           1HB      ASP  23   7.777  12.374   3.995
  183    H    GLY  24           H        GLY  24   4.020  10.275   3.015
  184    HA2  GLY  24           2HA      GLY  24   2.088  10.376   1.762
  185    HA3  GLY  24           1HA      GLY  24   2.764  11.709   0.870
  186    H    LYS  25           H        LYS  25   5.215   9.559   0.698
  187    HA   LYS  25           HA       LYS  25   4.237   8.546  -1.819
  188    HB2  LYS  25           2HB      LYS  25   6.929   8.373  -0.489
  189    HB3  LYS  25           1HB      LYS  25   6.556   7.674  -2.058
  190    HG2  LYS  25           2HG      LYS  25   6.958   9.610  -3.046
  191    HG3  LYS  25           1HG      LYS  25   5.736  10.401  -2.046
  192    HD2  LYS  25           2HD      LYS  25   7.927  11.457  -1.790
  193    HD3  LYS  25           1HD      LYS  25   7.369  10.725  -0.282
  194    HE2  LYS  25           2HE      LYS  25   8.750   8.740  -0.770
  195    HE3  LYS  25           1HE      LYS  25   9.360   9.546  -2.217
  196    HZ1  LYS  25           3HZ      LYS  25  10.308  11.273  -0.812
  197    HZ2  LYS  25           1HZ      LYS  25  10.891   9.744  -0.361
  198    HZ3  LYS  25           2HZ      LYS  25   9.697  10.505   0.574
  199    H    MET  26           H        MET  26   5.191   6.192  -2.229
  200    HA   MET  26           HA       MET  26   4.492   4.444  -0.012
  201    HB2  MET  26           2HB      MET  26   3.244   4.373  -2.763
  202    HB3  MET  26           1HB      MET  26   3.165   3.033  -1.630
  203    HG2  MET  26           2HG      MET  26   1.143   4.109  -1.337
  204    HG3  MET  26           1HG      MET  26   2.124   4.716  -0.011
  205    HE1  MET  26           3HE      MET  26   2.274   5.781  -3.822
  206    HE2  MET  26           1HE      MET  26   1.150   7.139  -3.819
  207    HE3  MET  26           2HE      MET  26   0.560   5.505  -3.516
  208    H    GLY  27           H        GLY  27   5.476   2.431  -0.083
  209    HA2  GLY  27           2HA      GLY  27   7.364   2.004  -2.300
  210    HA3  GLY  27           1HA      GLY  27   7.899   1.886  -0.632
  211    H    MET  28           H        MET  28   7.844  -0.153  -2.793
  212    HA   MET  28           HA       MET  28   6.191  -2.142  -1.381
  213    HB2  MET  28           2HB      MET  28   5.128  -1.567  -3.484
  214    HB3  MET  28           1HB      MET  28   6.627  -1.847  -4.358
  215    HG2  MET  28           2HG      MET  28   6.521  -4.216  -3.802
  216    HG3  MET  28           1HG      MET  28   5.030  -3.942  -2.900
  217    HE1  MET  28           3HE      MET  28   4.019  -5.969  -4.397
  218    HE2  MET  28           1HE      MET  28   5.515  -6.068  -5.321
  219    HE3  MET  28           2HE      MET  28   3.970  -5.931  -6.159
  220    H    GLU  29           H        GLU  29   6.989  -4.162  -1.130
  221    HA   GLU  29           HA       GLU  29   9.598  -4.839  -2.313
  222    HB2  GLU  29           2HB      GLU  29   8.681  -5.489   0.504
  223    HB3  GLU  29           1HB      GLU  29  10.084  -6.207  -0.271
  224    HG2  GLU  29           2HG      GLU  29  11.149  -4.601   0.861
  225    HG3  GLU  29           1HG      GLU  29  10.718  -3.631  -0.548
  226    H    ASN  30           H        ASN  30   9.828  -7.162  -2.690
  227    HA   ASN  30           HA       ASN  30   7.263  -8.440  -3.176
  228    HB2  ASN  30           2HB      ASN  30   8.625 -10.258  -4.205
  229    HB3  ASN  30           1HB      ASN  30   8.941  -8.677  -4.910
  230   HD21  ASN  30          1HD2      ASN  30  10.931  -9.526  -5.669
  231   HD22  ASN  30          2HD2      ASN  30  12.285  -9.655  -4.600
  232    H    LYS  31           H        LYS  31   6.979 -10.788  -2.492
  233    HA   LYS  31           HA       LYS  31   7.161 -11.235   0.182
  234    HB2  LYS  31           2HB      LYS  31   6.871 -13.624  -0.263
  235    HB3  LYS  31           1HB      LYS  31   5.802 -12.625  -1.232
  236    HG2  LYS  31           2HG      LYS  31   7.207 -12.962  -3.175
  237    HG3  LYS  31           1HG      LYS  31   8.352 -13.896  -2.204
  238    HD2  LYS  31           2HD      LYS  31   6.580 -15.527  -1.713
  239    HD3  LYS  31           1HD      LYS  31   5.463 -14.602  -2.716
  240    HE2  LYS  31           2HE      LYS  31   6.826 -15.017  -4.675
  241    HE3  LYS  31           1HE      LYS  31   8.029 -15.852  -3.692
  242    HZ1  LYS  31           3HZ      LYS  31   5.221 -16.729  -4.126
  243    HZ2  LYS  31           1HZ      LYS  31   6.359 -17.532  -3.154
  244    HZ3  LYS  31           2HZ      LYS  31   6.602 -17.420  -4.829
  245    H    PHE  32           H        PHE  32   9.846 -11.243  -1.911
  246    HA   PHE  32           HA       PHE  32  11.421 -12.982  -0.183
  247    HB2  PHE  32           2HB      PHE  32  12.260 -11.467  -2.667
  248    HB3  PHE  32           1HB      PHE  32  13.220 -12.671  -1.813
  249    HD1  PHE  32           1HD      PHE  32  11.857 -14.975  -1.453
  250    HD2  PHE  32           2HD      PHE  32  11.238 -12.157  -4.582
  251    HE1  PHE  32           1HE      PHE  32  10.880 -16.746  -2.850
  252    HE2  PHE  32           2HE      PHE  32  10.261 -13.924  -5.986
  253    HZ   PHE  32           HZ       PHE  32  10.046 -16.218  -5.100
  254    H    GLY  33           H        GLY  33  10.409  -9.857  -0.119
  255    HA2  GLY  33           2HA      GLY  33  10.961  -8.247   1.429
  256    HA3  GLY  33           1HA      GLY  33  12.368  -9.197   1.880
  257    H    LYS  34           H        LYS  34  11.869  -8.523  -1.433
  258    HA   LYS  34           HA       LYS  34  14.193  -6.739  -1.330
  259    HB2  LYS  34           2HB      LYS  34  13.074  -8.229  -3.703
  260    HB3  LYS  34           1HB      LYS  34  14.581  -7.314  -3.652
  261    HG2  LYS  34           2HG      LYS  34  13.982  -9.653  -1.915
  262    HG3  LYS  34           1HG      LYS  34  14.838  -9.786  -3.445
  263    HD2  LYS  34           2HD      LYS  34  15.725  -8.108  -1.093
  264    HD3  LYS  34           1HD      LYS  34  16.300  -9.741  -1.408
  265    HE2  LYS  34           2HE      LYS  34  17.964  -8.327  -2.262
  266    HE3  LYS  34           1HE      LYS  34  17.059  -8.870  -3.671
  267    HZ1  LYS  34           3HZ      LYS  34  17.615  -6.448  -3.604
  268    HZ2  LYS  34           1HZ      LYS  34  16.537  -6.293  -2.310
  269    HZ3  LYS  34           2HZ      LYS  34  15.974  -6.792  -3.829
  270    H    SER  35           H        SER  35  14.216  -4.839  -2.125
  271    HA   SER  35           HA       SER  35  11.680  -3.500  -2.250
  272    HB2  SER  35           2HB      SER  35  13.141  -1.442  -2.459
  273    HB3  SER  35           1HB      SER  35  13.378  -2.414  -1.008
  274    HG   SER  35           HG       SER  35  15.379  -1.877  -1.906
  275    H    MET  36           H        MET  36  10.542  -3.099  -3.993
  276    HA   MET  36           HA       MET  36  11.847  -2.351  -6.463
  277    HB2  MET  36           2HB      MET  36  10.297  -4.022  -7.711
  278    HB3  MET  36           1HB      MET  36  11.811  -4.594  -7.036
  279    HG2  MET  36           2HG      MET  36  10.171  -6.224  -6.568
  280    HG3  MET  36           1HG      MET  36  10.526  -5.404  -5.052
  281    HE1  MET  36           3HE      MET  36   8.312  -4.044  -8.017
  282    HE2  MET  36           1HE      MET  36   6.715  -4.613  -7.538
  283    HE3  MET  36           2HE      MET  36   7.956  -5.771  -8.015
  284    H    ASN  37           H        ASN  37  10.476  -1.204  -7.886
  285    HA   ASN  37           HA       ASN  37   8.082  -0.214  -6.515
  286    HB2  ASN  37           2HB      ASN  37   8.184   1.719  -7.988
  287    HB3  ASN  37           1HB      ASN  37   9.735   1.480  -7.197
  288   HD21  ASN  37          1HD2      ASN  37  11.507   0.866  -8.406
  289   HD22  ASN  37          2HD2      ASN  37  11.528   0.947 -10.137
  290    H    MET  38           H        MET  38   6.075  -0.252  -7.435
  291    HA   MET  38           HA       MET  38   5.790  -2.149  -9.629
  292    HB2  MET  38           2HB      MET  38   3.537  -2.487  -8.857
  293    HB3  MET  38           1HB      MET  38   4.625  -2.616  -7.488
  294    HG2  MET  38           2HG      MET  38   2.996  -0.180  -8.169
  295    HG3  MET  38           1HG      MET  38   2.533  -1.404  -6.990
  296    HE1  MET  38           3HE      MET  38   2.547   1.566  -6.105
  297    HE2  MET  38           1HE      MET  38   3.422   1.478  -4.575
  298    HE3  MET  38           2HE      MET  38   2.262   0.219  -5.002
  299    HA   PRO  39           HA       PRO  39   4.361   0.927 -12.461
  300    HB2  PRO  39           2HB      PRO  39   2.735  -0.593 -14.009
  301    HB3  PRO  39           1HB      PRO  39   4.499  -0.707 -14.076
  302    HG2  PRO  39           2HG      PRO  39   2.543  -2.448 -12.618
  303    HG3  PRO  39           1HG      PRO  39   3.948  -2.924 -13.594
  304    HD2  PRO  39           2HD      PRO  39   4.020  -2.841 -10.896
  305    HD3  PRO  39           1HD      PRO  39   5.439  -2.452 -11.886
  306    H    GLU  40           H        GLU  40   2.550   2.162 -12.999
  307    HA   GLU  40           HA       GLU  40   0.523   2.254 -10.976
  308    HB2  GLU  40           2HB      GLU  40   1.525   4.277 -12.059
  309    HB3  GLU  40           1HB      GLU  40   0.711   3.827 -13.553
  310    HG2  GLU  40           2HG      GLU  40  -1.446   3.922 -12.250
  311    HG3  GLU  40           1HG      GLU  40  -0.520   4.680 -10.958
  312    H    GLY  41           H        GLY  41  -1.615   1.676 -11.120
  313    HA2  GLY  41           2HA      GLY  41  -3.577   1.502 -12.586
  314    HA3  GLY  41           1HA      GLY  41  -2.546   0.675 -13.738
  315    H    LYS  42           H        LYS  42  -1.490  -0.654 -11.013
  316    HA   LYS  42           HA       LYS  42  -3.219  -2.962 -11.415
  317    HB2  LYS  42           2HB      LYS  42  -0.714  -2.668  -9.772
  318    HB3  LYS  42           1HB      LYS  42  -1.569  -4.170 -10.070
  319    HG2  LYS  42           2HG      LYS  42  -1.118  -3.914 -12.481
  320    HG3  LYS  42           1HG      LYS  42  -0.178  -2.466 -12.111
  321    HD2  LYS  42           2HD      LYS  42   1.287  -4.404 -12.371
  322    HD3  LYS  42           1HD      LYS  42   1.325  -3.813 -10.707
  323    HE2  LYS  42           2HE      LYS  42  -0.316  -5.562 -10.091
  324    HE3  LYS  42           1HE      LYS  42  -0.250  -6.173 -11.741
  325    HZ1  LYS  42           3HZ      LYS  42   2.104  -6.650 -11.430
  326    HZ2  LYS  42           1HZ      LYS  42   1.161  -7.458 -10.277
  327    HZ3  LYS  42           2HZ      LYS  42   2.030  -6.070  -9.840
  328    H    VAL  43           H        VAL  43  -5.026  -3.070 -10.188
  329    HA   VAL  43           HA       VAL  43  -4.841  -2.404  -7.372
  330    HB   VAL  43           HB       VAL  43  -6.978  -1.985  -8.512
  331   HG11  VAL  43          1HG1      VAL  43  -7.157  -4.973  -8.822
  332   HG12  VAL  43          2HG1      VAL  43  -6.992  -3.792 -10.124
  333   HG13  VAL  43          3HG1      VAL  43  -8.458  -3.826  -9.139
  334   HG21  VAL  43          3HG2      VAL  43  -7.129  -4.103  -6.377
  335   HG22  VAL  43          1HG2      VAL  43  -8.448  -3.034  -6.852
  336   HG23  VAL  43          2HG2      VAL  43  -6.988  -2.363  -6.128
  337    H    MET  44           H        MET  44  -4.303  -3.795  -5.816
  338    HA   MET  44           HA       MET  44  -3.858  -6.597  -6.631
  339    HB2  MET  44           2HB      MET  44  -2.132  -4.869  -4.849
  340    HB3  MET  44           1HB      MET  44  -1.852  -6.573  -5.188
  341    HG2  MET  44           2HG      MET  44  -1.422  -6.117  -7.489
  342    HG3  MET  44           1HG      MET  44  -1.916  -4.435  -7.303
  343    HE1  MET  44           3HE      MET  44  -0.558  -3.676  -4.507
  344    HE2  MET  44           1HE      MET  44  -0.537  -2.634  -5.929
  345    HE3  MET  44           2HE      MET  44   0.964  -2.990  -5.074
  346    H    GLU  45           H        GLU  45  -4.018  -8.185  -4.974
  347    HA   GLU  45           HA       GLU  45  -5.910  -7.432  -2.895
  348    HB2  GLU  45           2HB      GLU  45  -5.182  -9.959  -4.249
  349    HB3  GLU  45           1HB      GLU  45  -5.678 -10.085  -2.567
  350    HG2  GLU  45           2HG      GLU  45  -7.775  -9.088  -3.019
  351    HG3  GLU  45           1HG      GLU  45  -7.285  -8.663  -4.665
  352    H    THR  46           H        THR  46  -5.607  -7.637  -0.804
  353    HA   THR  46           HA       THR  46  -2.827  -7.976   0.088
  354    HB   THR  46           HB       THR  46  -3.426  -6.729   2.071
  355    HG1  THR  46           1HG      THR  46  -5.786  -5.802   1.784
  356   HG21  THR  46          3HG2      THR  46  -4.068  -4.567   1.079
  357   HG22  THR  46          1HG2      THR  46  -4.519  -5.396  -0.411
  358   HG23  THR  46          2HG2      THR  46  -2.836  -5.389   0.121
  359    H    ARG  47           H        ARG  47  -2.466  -9.086   2.120
  360    HA   ARG  47           HA       ARG  47  -3.752 -11.512   2.560
  361    HB2  ARG  47           2HB      ARG  47  -2.062  -9.696   4.259
  362    HB3  ARG  47           1HB      ARG  47  -2.682 -11.214   4.882
  363    HG2  ARG  47           2HG      ARG  47  -1.225 -11.248   2.291
  364    HG3  ARG  47           1HG      ARG  47  -0.297 -11.026   3.775
  365    HD2  ARG  47           2HD      ARG  47  -0.896 -13.087   4.614
  366    HD3  ARG  47           1HD      ARG  47  -2.312 -13.218   3.573
  367    HE   ARG  47           HE       ARG  47  -0.770 -13.635   1.718
  368   HH11  ARG  47          1HH1      ARG  47   0.521 -13.982   4.959
  369   HH12  ARG  47          2HH1      ARG  47   1.738 -15.127   4.479
  370   HH21  ARG  47          1HH2      ARG  47   0.847 -15.120   1.095
  371   HH22  ARG  47          2HH2      ARG  47   1.935 -15.751   2.291
  372    H    ASP  48           H        ASP  48  -4.695  -8.361   3.352
  373    HA   ASP  48           HA       ASP  48  -6.182  -9.059   5.735
  374    HB2  ASP  48           2HB      ASP  48  -4.838  -7.098   5.777
  375    HB3  ASP  48           1HB      ASP  48  -5.554  -6.489   4.290
  376    H    GLY  49           H        GLY  49  -6.784  -9.303   2.524
  377    HA2  GLY  49           2HA      GLY  49  -8.777  -9.936   1.514
  378    HA3  GLY  49           1HA      GLY  49  -9.624  -9.533   3.004
  379    H    THR  50           H        THR  50  -7.492  -7.175   1.808
  380    HA   THR  50           HA       THR  50  -9.761  -5.660   0.738
  381    HB   THR  50           HB       THR  50  -8.298  -3.629   1.335
  382    HG1  THR  50           1HG      THR  50  -7.181  -5.070   3.420
  383   HG21  THR  50          3HG2      THR  50 -10.340  -4.212   2.547
  384   HG22  THR  50          1HG2      THR  50  -9.104  -3.573   3.631
  385   HG23  THR  50          2HG2      THR  50  -9.420  -5.309   3.577
  386    H    LYS  51           H        LYS  51  -8.920  -3.876  -0.792
  387    HA   LYS  51           HA       LYS  51  -6.761  -4.955  -2.458
  388    HB2  LYS  51           2HB      LYS  51  -9.398  -3.821  -3.399
  389    HB3  LYS  51           1HB      LYS  51  -8.028  -4.144  -4.453
  390    HG2  LYS  51           2HG      LYS  51  -8.124  -6.515  -3.820
  391    HG3  LYS  51           1HG      LYS  51  -9.537  -6.171  -2.822
  392    HD2  LYS  51           2HD      LYS  51 -10.749  -5.416  -4.811
  393    HD3  LYS  51           1HD      LYS  51  -9.338  -5.784  -5.809
  394    HE2  LYS  51           2HE      LYS  51  -9.490  -8.134  -5.135
  395    HE3  LYS  51           1HE      LYS  51 -10.905  -7.756  -4.154
  396    HZ1  LYS  51           3HZ      LYS  51 -12.047  -7.046  -6.190
  397    HZ2  LYS  51           1HZ      LYS  51 -11.580  -8.675  -6.253
  398    HZ3  LYS  51           2HZ      LYS  51 -10.697  -7.508  -7.109
  399    H    ILE  52           H        ILE  52  -5.441  -3.477  -3.449
  400    HA   ILE  52           HA       ILE  52  -5.908  -0.641  -2.869
  401    HB   ILE  52           HB       ILE  52  -3.519  -0.361  -2.249
  402   HG12  ILE  52          2HG1      ILE  52  -3.497  -3.384  -2.136
  403   HG13  ILE  52          1HG1      ILE  52  -2.669  -2.408  -3.343
  404   HG21  ILE  52          1HG2      ILE  52  -5.250  -0.528  -0.524
  405   HG22  ILE  52          2HG2      ILE  52  -3.712  -1.187   0.026
  406   HG23  ILE  52          3HG2      ILE  52  -5.013  -2.275  -0.462
  407   HD11  ILE  52          3HD1      ILE  52  -1.125  -3.185  -1.655
  408   HD12  ILE  52          1HD1      ILE  52  -2.095  -2.437  -0.389
  409   HD13  ILE  52          2HD1      ILE  52  -1.280  -1.430  -1.583
  410    H    ILE  53           H        ILE  53  -4.623   0.790  -4.176
  411    HA   ILE  53           HA       ILE  53  -2.964  -0.291  -6.260
  412    HB   ILE  53           HB       ILE  53  -4.965  -0.613  -7.523
  413   HG12  ILE  53          2HG1      ILE  53  -3.432   1.853  -8.331
  414   HG13  ILE  53          1HG1      ILE  53  -3.270   0.210  -8.943
  415   HG21  ILE  53          1HG2      ILE  53  -6.530   1.277  -8.005
  416   HG22  ILE  53          2HG2      ILE  53  -5.710   2.201  -6.745
  417   HG23  ILE  53          3HG2      ILE  53  -6.554   0.706  -6.343
  418   HD11  ILE  53          3HD1      ILE  53  -5.589   2.066  -9.440
  419   HD12  ILE  53          1HD1      ILE  53  -5.436   0.418 -10.054
  420   HD13  ILE  53          2HD1      ILE  53  -4.303   1.666 -10.580
  421    H    MET  54           H        MET  54  -1.783   1.345  -7.391
  422    HA   MET  54           HA       MET  54  -1.815   3.955  -6.018
  423    HB2  MET  54           2HB      MET  54   0.255   2.776  -5.493
  424    HB3  MET  54           1HB      MET  54   0.532   2.437  -7.195
  425    HG2  MET  54           2HG      MET  54   0.748   4.852  -7.616
  426    HG3  MET  54           1HG      MET  54   0.547   5.146  -5.891
  427    HE1  MET  54           3HE      MET  54   3.035   6.211  -7.634
  428    HE2  MET  54           1HE      MET  54   4.344   5.918  -6.490
  429    HE3  MET  54           2HE      MET  54   2.800   6.552  -5.920
  430    H    LYS  55           H        LYS  55  -2.858   5.277  -7.370
  431    HA   LYS  55           HA       LYS  55  -1.822   5.506 -10.083
  432    HB2  LYS  55           2HB      LYS  55  -3.924   3.982  -9.942
  433    HB3  LYS  55           1HB      LYS  55  -4.790   5.505  -9.752
  434    HG2  LYS  55           2HG      LYS  55  -3.989   6.301 -11.849
  435    HG3  LYS  55           1HG      LYS  55  -2.897   4.928 -12.013
  436    HD2  LYS  55           2HD      LYS  55  -4.920   3.453 -12.010
  437    HD3  LYS  55           1HD      LYS  55  -5.893   4.917 -12.115
  438    HE2  LYS  55           2HE      LYS  55  -3.887   3.874 -14.101
  439    HE3  LYS  55           1HE      LYS  55  -5.621   4.106 -14.336
  440    HZ1  LYS  55           3HZ      LYS  55  -5.261   6.511 -14.090
  441    HZ2  LYS  55           1HZ      LYS  55  -4.402   5.866 -15.404
  442    HZ3  LYS  55           2HZ      LYS  55  -3.589   6.243 -13.969
  443    H    GLY  56           H        GLY  56  -2.112   7.517 -11.026
  444    HA2  GLY  56           2HA      GLY  56  -2.145   9.815 -10.982
  445    HA3  GLY  56           1HA      GLY  56  -3.497   9.669  -9.868
  446    H    ASN  57           H        ASN  57  -0.302   8.385  -9.239
  447    HA   ASN  57           HA       ASN  57   1.324   8.870  -7.722
  448    HB2  ASN  57           2HB      ASN  57   1.245  11.181  -8.626
  449    HB3  ASN  57           1HB      ASN  57  -0.004  11.579  -7.451
  450   HD21  ASN  57          1HD2      ASN  57   0.545  11.820  -5.294
  451   HD22  ASN  57          2HD2      ASN  57   2.189  11.986  -4.776
  452    H    GLU  58           H        GLU  58  -1.876   8.751  -7.089
  453    HA   GLU  58           HA       GLU  58  -1.656   8.959  -4.174
  454    HB2  GLU  58           2HB      GLU  58  -4.072   8.628  -5.956
  455    HB3  GLU  58           1HB      GLU  58  -4.133   8.701  -4.201
  456    HG2  GLU  58           2HG      GLU  58  -3.210  10.969  -4.267
  457    HG3  GLU  58           1HG      GLU  58  -3.174  10.896  -6.029
  458    H    ILE  59           H        ILE  59  -3.234   7.255  -3.097
  459    HA   ILE  59           HA       ILE  59  -2.983   4.679  -4.412
  460    HB   ILE  59           HB       ILE  59  -1.456   5.373  -2.103
  461   HG12  ILE  59          2HG1      ILE  59  -1.874   2.881  -3.747
  462   HG13  ILE  59          1HG1      ILE  59  -0.568   4.055  -3.859
  463   HG21  ILE  59          1HG2      ILE  59  -3.474   3.192  -1.575
  464   HG22  ILE  59          2HG2      ILE  59  -3.342   4.728  -0.718
  465   HG23  ILE  59          3HG2      ILE  59  -2.053   3.532  -0.586
  466   HD11  ILE  59          3HD1      ILE  59   0.281   3.308  -1.698
  467   HD12  ILE  59          1HD1      ILE  59   0.186   1.982  -2.856
  468   HD13  ILE  59          2HD1      ILE  59  -1.031   2.136  -1.589
  469    H    PHE  60           H        PHE  60  -4.807   3.674  -4.481
  470    HA   PHE  60           HA       PHE  60  -7.047   4.486  -2.848
  471    HB2  PHE  60           2HB      PHE  60  -7.932   3.969  -4.868
  472    HB3  PHE  60           1HB      PHE  60  -6.590   2.932  -5.301
  473    HD1  PHE  60           1HD      PHE  60  -6.636   0.518  -4.621
  474    HD2  PHE  60           2HD      PHE  60  -9.957   3.105  -4.049
  475    HE1  PHE  60           1HE      PHE  60  -8.098  -1.430  -4.245
  476    HE2  PHE  60           2HE      PHE  60 -11.417   1.183  -3.674
  477    HZ   PHE  60           HZ       PHE  60 -10.439  -1.183  -4.078
  478    H    ARG  61           H        ARG  61  -7.064   3.822  -0.849
  479    HA   ARG  61           HA       ARG  61  -6.631   0.957  -0.405
  480    HB2  ARG  61           2HB      ARG  61  -4.901   2.149   0.817
  481    HB3  ARG  61           1HB      ARG  61  -6.084   3.239   1.519
  482    HG2  ARG  61           2HG      ARG  61  -5.096   1.297   2.930
  483    HG3  ARG  61           1HG      ARG  61  -6.806   1.690   3.054
  484    HD2  ARG  61           2HD      ARG  61  -7.392  -0.139   1.631
  485    HD3  ARG  61           1HD      ARG  61  -5.707  -0.459   1.255
  486    HE   ARG  61           HE       ARG  61  -5.733  -1.845   3.035
  487   HH11  ARG  61          1HH1      ARG  61  -7.784   0.880   3.919
  488   HH12  ARG  61          2HH1      ARG  61  -8.291   0.156   5.409
  489   HH21  ARG  61          1HH2      ARG  61  -6.421  -2.777   4.988
  490   HH22  ARG  61          2HH2      ARG  61  -7.517  -1.921   6.019
  491    H    LEU  62           H        LEU  62  -8.466   0.043  -0.099
  492    HA   LEU  62           HA       LEU  62 -10.773  -0.223  -0.164
  493    HB2  LEU  62           2HB      LEU  62 -10.213   1.476   2.190
  494    HB3  LEU  62           1HB      LEU  62 -11.884   1.397   1.663
  495    HG   LEU  62           HG       LEU  62 -11.406  -0.233   3.421
  496   HD11  LEU  62          1HD1      LEU  62 -12.284  -2.223   2.223
  497   HD12  LEU  62          2HD1      LEU  62 -12.005  -1.381   0.696
  498   HD13  LEU  62          3HD1      LEU  62 -13.164  -0.739   1.860
  499   HD21  LEU  62          3HD2      LEU  62  -9.036  -0.590   2.835
  500   HD22  LEU  62          1HD2      LEU  62  -9.549  -1.489   1.408
  501   HD23  LEU  62          2HD2      LEU  62  -9.933  -2.101   3.017
  502    H    ASP  63           H        ASP  63  -9.871   3.192   0.031
  503    HA   ASP  63           HA       ASP  63 -10.664   5.070  -0.928
  504    HB2  ASP  63           2HB      ASP  63 -10.931   4.055  -3.058
  505    HB3  ASP  63           1HB      ASP  63 -12.333   3.143  -2.520
  506    H    GLU  64           H        GLU  64 -13.135   2.740  -0.160
  507    HA   GLU  64           HA       GLU  64 -15.129   4.462   0.781
  508    HB2  GLU  64           2HB      GLU  64 -14.480   1.672   1.753
  509    HB3  GLU  64           1HB      GLU  64 -16.024   2.497   1.911
  510    HG2  GLU  64           2HG      GLU  64 -14.809   1.973  -0.774
  511    HG3  GLU  64           1HG      GLU  64 -15.759   0.744   0.062
  512    H    ALA  65           H        ALA  65 -12.381   2.982   2.437
  513    HA   ALA  65           HA       ALA  65 -13.066   3.731   5.067
  514    HB1  ALA  65           1HB      ALA  65 -11.330   2.029   4.276
  515    HB2  ALA  65           2HB      ALA  65 -10.922   3.013   5.682
  516    HB3  ALA  65           3HB      ALA  65 -10.242   3.405   4.101
  517    H    LEU  66           H        LEU  66 -11.274   5.308   2.530
  518    HA   LEU  66           HA       LEU  66 -10.336   7.442   4.220
  519    HB2  LEU  66           2HB      LEU  66 -10.181   7.000   1.243
  520    HB3  LEU  66           1HB      LEU  66  -9.398   8.321   2.089
  521    HG   LEU  66           HG       LEU  66  -8.810   5.533   2.972
  522   HD11  LEU  66          1HD1      LEU  66  -8.561   5.269   0.628
  523   HD12  LEU  66          2HD1      LEU  66  -6.945   5.473   1.307
  524   HD13  LEU  66          3HD1      LEU  66  -7.729   6.819   0.478
  525   HD21  LEU  66          3HD2      LEU  66  -6.622   6.516   3.450
  526   HD22  LEU  66          1HD2      LEU  66  -7.918   7.428   4.223
  527   HD23  LEU  66          2HD2      LEU  66  -7.156   8.047   2.757
  528    H    ARG  67           H        ARG  67 -12.789   7.040   1.681
  529    HA   ARG  67           HA       ARG  67 -13.497   9.772   1.534
  530    HB2  ARG  67           2HB      ARG  67 -15.467   9.029   0.310
  531    HB3  ARG  67           1HB      ARG  67 -14.046   8.153  -0.237
  532    HG2  ARG  67           2HG      ARG  67 -14.709   6.237   1.139
  533    HG3  ARG  67           1HG      ARG  67 -16.157   7.113   1.636
  534    HD2  ARG  67           2HD      ARG  67 -15.466   6.468  -1.225
  535    HD3  ARG  67           1HD      ARG  67 -16.511   5.472  -0.212
  536    HE   ARG  67           HE       ARG  67 -17.176   8.297  -0.702
  537   HH11  ARG  67          1HH1      ARG  67 -17.925   4.883  -1.005
  538   HH12  ARG  67          2HH1      ARG  67 -19.579   5.169  -1.477
  539   HH21  ARG  67          1HH2      ARG  67 -19.325   8.667  -1.339
  540   HH22  ARG  67          2HH2      ARG  67 -20.362   7.324  -1.710
  541    H    LYS  68           H        LYS  68 -14.675   7.107   3.526
  542    HA   LYS  68           HA       LYS  68 -16.569   8.938   4.805
  543    HB2  LYS  68           2HB      LYS  68 -16.323   5.935   5.018
  544    HB3  LYS  68           1HB      LYS  68 -17.514   6.913   5.864
  545    HG2  LYS  68           2HG      LYS  68 -18.377   7.682   3.680
  546    HG3  LYS  68           1HG      LYS  68 -17.251   6.586   2.886
  547    HD2  LYS  68           2HD      LYS  68 -19.429   5.777   4.806
  548    HD3  LYS  68           1HD      LYS  68 -19.510   5.638   3.050
  549    HE2  LYS  68           2HE      LYS  68 -17.465   4.176   3.182
  550    HE3  LYS  68           1HE      LYS  68 -17.665   4.183   4.934
  551    HZ1  LYS  68           3HZ      LYS  68 -19.928   3.272   4.592
  552    HZ2  LYS  68           1HZ      LYS  68 -18.701   2.235   4.040
  553    HZ3  LYS  68           2HZ      LYS  68 -19.596   3.147   2.930
  554    H    GLY  69           H        GLY  69 -14.464   9.913   5.557
  555    HA2  GLY  69           2HA      GLY  69 -14.113   9.079   8.334
  556    HA3  GLY  69           1HA      GLY  69 -12.663   9.211   7.343
  557    H    HIS  70           H        HIS  70 -15.624  11.149   7.591
  558    HA   HIS  70           HA       HIS  70 -13.901  13.515   7.958
  559    HB2  HIS  70           2HB      HIS  70 -16.483  13.230   6.416
  560    HB3  HIS  70           1HB      HIS  70 -15.819  14.792   6.876
  561    HD1  HIS  70           1HD      HIS  70 -14.373  15.839   5.186
  562    HD2  HIS  70           2HD      HIS  70 -14.481  11.697   4.772
  563    HE1  HIS  70           1HE      HIS  70 -13.008  15.321   3.135
  564    HE2  HIS  70           2HE      HIS  70 -13.228  12.831   2.808
  565    H    SER  71           H        SER  71 -13.984  13.929  10.080
  566    HA   SER  71           HA       SER  71 -16.501  13.654  11.523
  567    HB2  SER  71           2HB      SER  71 -14.444  12.783  12.561
  568    HB3  SER  71           1HB      SER  71 -13.735  14.396  12.514
  569    HG   SER  71           HG       SER  71 -15.257  13.346  14.400
  570    H    GLU  72           H        GLU  72 -17.864  15.304  11.359
  571    HA   GLU  72           HA       GLU  72 -16.804  18.044  11.259
  572    HB2  GLU  72           2HB      GLU  72 -18.416  17.334   9.506
  573    HB3  GLU  72           1HB      GLU  72 -19.614  17.032  10.757
  574    HG2  GLU  72           2HG      GLU  72 -19.536  19.412  11.366
  575    HG3  GLU  72           1HG      GLU  72 -18.384  19.688  10.060
  576    H    GLY  73           H        GLY  73 -18.405  15.781  13.262
  577    HA2  GLY  73           2HA      GLY  73 -18.701  16.012  15.586
  578    HA3  GLY  73           1HA      GLY  73 -18.592  17.758  15.403
  579    H    GLY  74           H        GLY  74 -20.453  18.402  16.360
  580    HA2  GLY  74           2HA      GLY  74 -22.889  17.961  14.877
  581    HA3  GLY  74           1HA      GLY  74 -22.899  17.277  16.499
  Start of MODEL    9
    1    H1   VAL   1           1HT      VAL   1  12.790  -3.111   4.862
    2    H2   VAL   1           2HT      VAL   1  12.327  -2.828   3.252
    3    H3   VAL   1           3HT      VAL   1  11.242  -2.532   4.513
    4    HA   VAL   1           HA       VAL   1  13.807  -1.104   4.200
    5    HB   VAL   1           HB       VAL   1  12.504   0.839   3.452
    6   HG11  VAL   1          2HG1      VAL   1  12.081  -1.588   1.714
    7   HG12  VAL   1          3HG1      VAL   1  13.541  -0.601   1.781
    8   HG13  VAL   1          1HG1      VAL   1  12.036   0.093   1.178
    9   HG21  VAL   1          1HG2      VAL   1  10.179   0.565   2.707
   10   HG22  VAL   1          2HG2      VAL   1  10.359   0.315   4.444
   11   HG23  VAL   1          3HG2      VAL   1  10.173  -1.070   3.366
   12    H    ASP   2           H        ASP   2  13.006   1.286   5.197
   13    HA   ASP   2           HA       ASP   2  13.002   0.824   7.980
   14    HB2  ASP   2           2HB      ASP   2  14.039   2.813   7.025
   15    HB3  ASP   2           1HB      ASP   2  12.477   3.370   6.432
   16    H    MET   3           H        MET   3  11.418   0.783   9.467
   17    HA   MET   3           HA       MET   3   8.659   0.877   8.478
   18    HB2  MET   3           2HB      MET   3   9.861  -0.393  10.937
   19    HB3  MET   3           1HB      MET   3   8.156  -0.443  10.510
   20    HG2  MET   3           2HG      MET   3  10.377  -1.530   8.809
   21    HG3  MET   3           1HG      MET   3   9.393  -2.486   9.910
   22    HE1  MET   3           3HE      MET   3   9.371  -3.782   7.380
   23    HE2  MET   3           1HE      MET   3   9.932  -2.359   6.502
   24    HE3  MET   3           2HE      MET   3   8.428  -3.152   6.028
   25    H    SER   4           H        SER   4  10.577   3.088   9.648
   26    HA   SER   4           HA       SER   4   8.984   3.902  11.968
   27    HB2  SER   4           2HB      SER   4  11.589   5.032  10.916
   28    HB3  SER   4           1HB      SER   4  10.818   5.437  12.450
   29    HG   SER   4           HG       SER   4  11.707   2.833  11.708
   30    H    ASN   5           H        ASN   5   9.677   4.766   8.677
   31    HA   ASN   5           HA       ASN   5   8.305   7.345   9.010
   32    HB2  ASN   5           2HB      ASN   5   9.109   7.774   6.664
   33    HB3  ASN   5           1HB      ASN   5  10.374   7.602   7.867
   34   HD21  ASN   5          1HD2      ASN   5   8.646   4.855   6.597
   35   HD22  ASN   5          2HD2      ASN   5   9.976   4.197   5.711
   36    H    VAL   6           H        VAL   6   7.280   4.426   8.656
   37    HA   VAL   6           HA       VAL   6   5.478   5.059   6.442
   38    HB   VAL   6           HB       VAL   6   6.728   3.024   6.101
   39   HG11  VAL   6          1HG1      VAL   6   7.112   2.356   8.410
   40   HG12  VAL   6          2HG1      VAL   6   6.411   1.046   7.457
   41   HG13  VAL   6          3HG1      VAL   6   5.402   1.959   8.583
   42   HG21  VAL   6          3HG2      VAL   6   4.519   3.186   5.169
   43   HG22  VAL   6          1HG2      VAL   6   3.814   2.562   6.660
   44   HG23  VAL   6          2HG2      VAL   6   4.836   1.522   5.671
   45    H    VAL   7           H        VAL   7   3.431   5.476   6.758
   46    HA   VAL   7           HA       VAL   7   2.397   5.455   9.464
   47    HB   VAL   7           HB       VAL   7   0.324   6.410   8.481
   48   HG11  VAL   7          1HG1      VAL   7   2.098   7.875   9.265
   49   HG12  VAL   7          2HG1      VAL   7   1.302   8.565   7.848
   50   HG13  VAL   7          3HG1      VAL   7   2.881   7.795   7.686
   51   HG21  VAL   7          3HG2      VAL   7   0.436   5.352   6.278
   52   HG22  VAL   7          1HG2      VAL   7   1.860   6.323   5.888
   53   HG23  VAL   7          2HG2      VAL   7   0.296   7.105   6.147
   54    H    LYS   8           H        LYS   8   2.202   3.438   6.687
   55    HA   LYS   8           HA       LYS   8   1.007   1.343   8.161
   56    HB2  LYS   8           2HB      LYS   8  -1.070   2.521   7.771
   57    HB3  LYS   8           1HB      LYS   8  -0.725   2.647   6.051
   58    HG2  LYS   8           2HG      LYS   8  -2.357   0.905   6.471
   59    HG3  LYS   8           1HG      LYS   8  -0.856   0.209   5.854
   60    HD2  LYS   8           2HD      LYS   8  -0.200  -0.366   8.156
   61    HD3  LYS   8           1HD      LYS   8  -1.738   0.275   8.739
   62    HE2  LYS   8           2HE      LYS   8  -2.957  -1.385   7.498
   63    HE3  LYS   8           1HE      LYS   8  -1.475  -1.960   6.738
   64    HZ1  LYS   8           3HZ      LYS   8  -2.299  -3.336   8.621
   65    HZ2  LYS   8           1HZ      LYS   8  -1.953  -2.048   9.665
   66    HZ3  LYS   8           2HZ      LYS   8  -0.703  -2.800   8.801
   67    H    THR   9           H        THR   9   1.711  -0.460   7.432
   68    HA   THR   9           HA       THR   9   2.800  -0.605   4.712
   69    HB   THR   9           HB       THR   9   3.264  -2.259   7.168
   70    HG1  THR   9           1HG      THR   9   4.823  -0.920   7.469
   71   HG21  THR   9          3HG2      THR   9   4.395  -2.668   4.410
   72   HG22  THR   9          1HG2      THR   9   3.331  -3.772   5.280
   73   HG23  THR   9          2HG2      THR   9   4.971  -3.485   5.862
   74    H    TYR  10           H        TYR  10   2.035  -2.103   3.270
   75    HA   TYR  10           HA       TYR  10  -0.393  -3.501   4.112
   76    HB2  TYR  10           2HB      TYR  10   0.356  -2.263   1.493
   77    HB3  TYR  10           1HB      TYR  10  -0.931  -3.466   1.614
   78    HD1  TYR  10           2HD      TYR  10  -2.500  -2.959   3.829
   79    HD2  TYR  10           1HD      TYR  10  -0.342  -0.142   1.498
   80    HE1  TYR  10           2HE      TYR  10  -4.076  -1.195   4.503
   81    HE2  TYR  10           1HE      TYR  10  -1.891   1.614   2.141
   82    HH   TYR  10           HH       TYR  10  -4.182   1.834   2.946
   83    H    ASP  11           H        ASP  11  -0.481  -5.477   4.165
   84    HA   ASP  11           HA       ASP  11   1.778  -7.034   3.149
   85    HB2  ASP  11           2HB      ASP  11  -0.327  -7.546   5.229
   86    HB3  ASP  11           1HB      ASP  11   0.600  -8.876   4.547
   87    H    LEU  12           H        LEU  12   1.587  -7.961   1.303
   88    HA   LEU  12           HA       LEU  12  -1.057  -8.310   0.106
   89    HB2  LEU  12           2HB      LEU  12   1.639  -8.836  -1.158
   90    HB3  LEU  12           1HB      LEU  12   0.091  -8.762  -1.980
   91    HG   LEU  12           HG       LEU  12   1.773  -6.521  -0.921
   92   HD11  LEU  12          1HD1      LEU  12   1.974  -7.229  -3.263
   93   HD12  LEU  12          2HD1      LEU  12   1.358  -5.585  -3.113
   94   HD13  LEU  12          3HD1      LEU  12   0.257  -6.908  -3.496
   95   HD21  LEU  12          3HD2      LEU  12  -1.185  -6.339  -1.492
   96   HD22  LEU  12          1HD2      LEU  12  -0.101  -4.974  -1.214
   97   HD23  LEU  12          2HD2      LEU  12  -0.410  -6.132   0.080
   98    H    GLN  13           H        GLN  13  -1.714 -10.354  -0.789
   99    HA   GLN  13           HA       GLN  13  -1.174 -12.506   0.983
  100    HB2  GLN  13           2HB      GLN  13  -3.349 -12.082  -0.178
  101    HB3  GLN  13           1HB      GLN  13  -2.598 -12.604  -1.679
  102    HG2  GLN  13           2HG      GLN  13  -2.286 -14.812  -0.833
  103    HG3  GLN  13           1HG      GLN  13  -2.809 -14.321   0.778
  104   HE21  GLN  13          1HE2      GLN  13  -4.350 -13.199  -2.145
  105   HE22  GLN  13          2HE2      GLN  13  -5.839 -14.057  -1.919
  106    H    ASP  14           H        ASP  14   0.575 -11.331  -1.545
  107    HA   ASP  14           HA       ASP  14   1.625 -13.895  -2.467
  108    HB2  ASP  14           2HB      ASP  14   2.378 -11.102  -3.374
  109    HB3  ASP  14           1HB      ASP  14   2.759 -12.616  -4.182
  110    H    GLY  15           H        GLY  15   2.098 -11.677  -0.077
  111    HA2  GLY  15           2HA      GLY  15   3.780 -11.946   1.596
  112    HA3  GLY  15           1HA      GLY  15   4.870 -12.548   0.359
  113    H    SER  16           H        SER  16   3.800 -10.277  -1.374
  114    HA   SER  16           HA       SER  16   5.961  -8.530  -1.019
  115    HB2  SER  16           2HB      SER  16   3.380  -7.859  -2.434
  116    HB3  SER  16           1HB      SER  16   4.998  -7.260  -2.794
  117    HG   SER  16           HG       SER  16   5.396  -9.002  -3.924
  118    H    LYS  17           H        LYS  17   6.068  -6.436  -0.208
  119    HA   LYS  17           HA       LYS  17   3.896  -5.726   1.646
  120    HB2  LYS  17           2HB      LYS  17   6.873  -5.291   2.004
  121    HB3  LYS  17           1HB      LYS  17   5.614  -4.860   3.161
  122    HG2  LYS  17           2HG      LYS  17   5.057  -7.196   3.468
  123    HG3  LYS  17           1HG      LYS  17   6.241  -7.659   2.244
  124    HD2  LYS  17           2HD      LYS  17   8.038  -6.756   3.639
  125    HD3  LYS  17           1HD      LYS  17   6.851  -6.294   4.864
  126    HE2  LYS  17           2HE      LYS  17   6.223  -8.621   5.162
  127    HE3  LYS  17           1HE      LYS  17   7.349  -9.107   3.898
  128    HZ1  LYS  17           3HZ      LYS  17   8.223  -9.454   6.140
  129    HZ2  LYS  17           1HZ      LYS  17   8.128  -7.795   6.445
  130    HZ3  LYS  17           2HZ      LYS  17   9.184  -8.378   5.254
  131    H    VAL  18           H        VAL  18   2.990  -3.842   1.252
  132    HA   VAL  18           HA       VAL  18   4.464  -1.830  -0.318
  133    HB   VAL  18           HB       VAL  18   1.493  -2.146   0.200
  134   HG11  VAL  18          1HG1      VAL  18   2.926  -0.024  -1.392
  135   HG12  VAL  18          2HG1      VAL  18   1.987   0.219   0.084
  136   HG13  VAL  18          3HG1      VAL  18   1.183  -0.291  -1.402
  137   HG21  VAL  18          3HG2      VAL  18   2.344  -3.753  -1.394
  138   HG22  VAL  18          1HG2      VAL  18   3.120  -2.463  -2.314
  139   HG23  VAL  18          2HG2      VAL  18   1.361  -2.545  -2.222
  140    H    HIS  19           H        HIS  19   4.417   0.384   0.465
  141    HA   HIS  19           HA       HIS  19   3.412   0.690   3.209
  142    HB2  HIS  19           2HB      HIS  19   6.015   1.932   2.337
  143    HB3  HIS  19           1HB      HIS  19   5.343   1.861   3.953
  144    HD1  HIS  19           1HD      HIS  19   5.464  -0.571   5.137
  145    HD2  HIS  19           2HD      HIS  19   7.636  -0.017   1.682
  146    HE1  HIS  19           1HE      HIS  19   7.106  -2.475   5.071
  147    HE2  HIS  19           2HE      HIS  19   8.369  -2.188   2.904
  148    H    VAL  20           H        VAL  20   2.245   2.467   3.453
  149    HA   VAL  20           HA       VAL  20   2.573   4.616   1.490
  150    HB   VAL  20           HB       VAL  20   0.521   4.398   3.709
  151   HG11  VAL  20          1HG1      VAL  20   0.731   6.280   1.357
  152   HG12  VAL  20          2HG1      VAL  20   0.997   6.694   3.049
  153   HG13  VAL  20          3HG1      VAL  20  -0.610   6.215   2.502
  154   HG21  VAL  20          3HG2      VAL  20  -1.076   3.756   2.027
  155   HG22  VAL  20          1HG2      VAL  20   0.290   2.640   1.956
  156   HG23  VAL  20          2HG2      VAL  20   0.133   3.922   0.754
  157    H    PHE  21           H        PHE  21   4.034   6.064   1.996
  158    HA   PHE  21           HA       PHE  21   5.208   5.922   4.635
  159    HB2  PHE  21           2HB      PHE  21   6.026   7.246   2.068
  160    HB3  PHE  21           1HB      PHE  21   6.908   7.494   3.566
  161    HD1  PHE  21           2HD      PHE  21   8.250   5.655   4.552
  162    HD2  PHE  21           1HD      PHE  21   6.091   5.146   0.901
  163    HE1  PHE  21           2HE      PHE  21   9.504   3.605   4.093
  164    HE2  PHE  21           1HE      PHE  21   7.359   3.088   0.455
  165    HZ   PHE  21           HZ       PHE  21   9.133   2.342   2.128
  166    H    LYS  22           H        LYS  22   5.735   7.798   5.841
  167    HA   LYS  22           HA       LYS  22   3.470   9.284   6.491
  168    HB2  LYS  22           2HB      LYS  22   5.102  10.581   7.928
  169    HB3  LYS  22           1HB      LYS  22   5.111   8.831   8.140
  170    HG2  LYS  22           2HG      LYS  22   7.078   8.587   6.887
  171    HG3  LYS  22           1HG      LYS  22   7.044  10.278   6.369
  172    HD2  LYS  22           2HD      LYS  22   7.151   9.585   9.280
  173    HD3  LYS  22           1HD      LYS  22   8.624   9.561   8.309
  174    HE2  LYS  22           2HE      LYS  22   6.773  11.931   8.438
  175    HE3  LYS  22           1HE      LYS  22   8.143  11.716   9.528
  176    HZ1  LYS  22           3HZ      LYS  22   8.712  13.098   7.619
  177    HZ2  LYS  22           1HZ      LYS  22   8.312  11.835   6.559
  178    HZ3  LYS  22           2HZ      LYS  22   9.619  11.663   7.623
  179    H    ASP  23           H        ASP  23   5.912   9.972   4.151
  180    HA   ASP  23           HA       ASP  23   5.233  12.801   4.085
  181    HB2  ASP  23           2HB      ASP  23   7.405  11.275   2.637
  182    HB3  ASP  23           1HB      ASP  23   7.161  13.017   2.558
  183    H    GLY  24           H        GLY  24   3.971  10.113   2.968
  184    HA2  GLY  24           2HA      GLY  24   2.131  10.169   1.578
  185    HA3  GLY  24           1HA      GLY  24   2.797  11.570   0.784
  186    H    LYS  25           H        LYS  25   5.386   9.566   0.749
  187    HA   LYS  25           HA       LYS  25   4.800   8.655  -1.899
  188    HB2  LYS  25           2HB      LYS  25   7.199   8.085  -0.149
  189    HB3  LYS  25           1HB      LYS  25   7.073   7.749  -1.867
  190    HG2  LYS  25           2HG      LYS  25   8.264   9.681  -1.909
  191    HG3  LYS  25           1HG      LYS  25   6.633  10.329  -2.020
  192    HD2  LYS  25           2HD      LYS  25   8.019  11.564  -0.406
  193    HD3  LYS  25           1HD      LYS  25   6.633  10.792   0.364
  194    HE2  LYS  25           2HE      LYS  25   8.603  10.491   1.735
  195    HE3  LYS  25           1HE      LYS  25   8.083   8.940   1.083
  196    HZ1  LYS  25           3HZ      LYS  25  10.461   9.156   0.944
  197    HZ2  LYS  25           1HZ      LYS  25  10.329  10.601   0.068
  198    HZ3  LYS  25           2HZ      LYS  25   9.810   9.139  -0.620
  199    H    MET  26           H        MET  26   5.485   6.325  -2.398
  200    HA   MET  26           HA       MET  26   4.615   4.461  -0.341
  201    HB2  MET  26           2HB      MET  26   3.473   4.645  -3.131
  202    HB3  MET  26           1HB      MET  26   3.348   3.194  -2.146
  203    HG2  MET  26           2HG      MET  26   1.328   4.255  -1.792
  204    HG3  MET  26           1HG      MET  26   2.283   4.722  -0.391
  205    HE1  MET  26           3HE      MET  26   2.402   5.973  -4.074
  206    HE2  MET  26           1HE      MET  26   1.529   7.505  -3.988
  207    HE3  MET  26           2HE      MET  26   0.661   5.986  -3.785
  208    H    GLY  27           H        GLY  27   5.552   2.467  -0.460
  209    HA2  GLY  27           2HA      GLY  27   7.485   2.034  -2.635
  210    HA3  GLY  27           1HA      GLY  27   8.000   1.900  -0.959
  211    H    MET  28           H        MET  28   7.839  -0.083  -3.199
  212    HA   MET  28           HA       MET  28   6.053  -2.017  -1.875
  213    HB2  MET  28           2HB      MET  28   5.295  -1.323  -4.136
  214    HB3  MET  28           1HB      MET  28   6.805  -1.928  -4.801
  215    HG2  MET  28           2HG      MET  28   6.254  -4.174  -4.143
  216    HG3  MET  28           1HG      MET  28   4.799  -3.610  -3.324
  217    HE1  MET  28           3HE      MET  28   4.831  -5.971  -5.470
  218    HE2  MET  28           1HE      MET  28   3.388  -5.583  -6.408
  219    HE3  MET  28           2HE      MET  28   3.367  -5.421  -4.652
  220    H    GLU  29           H        GLU  29   6.847  -3.908  -1.305
  221    HA   GLU  29           HA       GLU  29   9.579  -4.629  -2.129
  222    HB2  GLU  29           2HB      GLU  29   8.340  -4.812   0.629
  223    HB3  GLU  29           1HB      GLU  29   9.783  -5.702   0.167
  224    HG2  GLU  29           2HG      GLU  29  10.975  -3.673  -0.248
  225    HG3  GLU  29           1HG      GLU  29   9.530  -2.712   0.056
  226    H    ASN  30           H        ASN  30   9.960  -6.892  -2.261
  227    HA   ASN  30           HA       ASN  30   7.550  -8.437  -2.791
  228    HB2  ASN  30           2HB      ASN  30   9.033 -10.096  -3.763
  229    HB3  ASN  30           1HB      ASN  30   9.467  -8.505  -4.379
  230   HD21  ASN  30          1HD2      ASN  30  11.141 -10.751  -4.433
  231   HD22  ASN  30          2HD2      ASN  30  12.508 -10.424  -3.415
  232    H    LYS  31           H        LYS  31   7.420 -10.690  -1.919
  233    HA   LYS  31           HA       LYS  31   7.437 -10.941   0.779
  234    HB2  LYS  31           2HB      LYS  31   7.299 -13.351   0.477
  235    HB3  LYS  31           1HB      LYS  31   6.301 -12.492  -0.686
  236    HG2  LYS  31           2HG      LYS  31   8.002 -12.846  -2.403
  237    HG3  LYS  31           1HG      LYS  31   8.998 -13.716  -1.230
  238    HD2  LYS  31           2HD      LYS  31   7.177 -15.345  -0.933
  239    HD3  LYS  31           1HD      LYS  31   6.231 -14.493  -2.154
  240    HE2  LYS  31           2HE      LYS  31   8.024 -14.936  -3.795
  241    HE3  LYS  31           1HE      LYS  31   8.887 -15.859  -2.565
  242    HZ1  LYS  31           3HZ      LYS  31   7.627 -17.309  -4.011
  243    HZ2  LYS  31           1HZ      LYS  31   6.191 -16.493  -3.637
  244    HZ3  LYS  31           2HZ      LYS  31   7.002 -17.376  -2.440
  245    H    PHE  32           H        PHE  32  10.291 -10.459  -0.766
  246    HA   PHE  32           HA       PHE  32  11.786 -12.153   1.101
  247    HB2  PHE  32           2HB      PHE  32  12.596 -11.039  -1.586
  248    HB3  PHE  32           1HB      PHE  32  13.719 -11.812  -0.474
  249    HD1  PHE  32           1HD      PHE  32  13.216 -14.213   0.228
  250    HD2  PHE  32           2HD      PHE  32  11.360 -12.306  -3.094
  251    HE1  PHE  32           1HE      PHE  32  12.628 -16.412  -0.702
  252    HE2  PHE  32           2HE      PHE  32  10.767 -14.502  -4.028
  253    HZ   PHE  32           HZ       PHE  32  11.400 -16.558  -2.833
  254    H    GLY  33           H        GLY  33  10.710  -9.044   0.663
  255    HA2  GLY  33           2HA      GLY  33  11.153  -7.280   2.074
  256    HA3  GLY  33           1HA      GLY  33  12.538  -8.161   2.689
  257    H    LYS  34           H        LYS  34  12.170  -7.608  -0.739
  258    HA   LYS  34           HA       LYS  34  14.130  -5.430  -0.483
  259    HB2  LYS  34           2HB      LYS  34  15.285  -6.104  -2.426
  260    HB3  LYS  34           1HB      LYS  34  15.050  -7.559  -1.480
  261    HG2  LYS  34           2HG      LYS  34  14.561  -8.331  -3.566
  262    HG3  LYS  34           1HG      LYS  34  12.951  -7.849  -3.032
  263    HD2  LYS  34           2HD      LYS  34  13.157  -5.744  -4.225
  264    HD3  LYS  34           1HD      LYS  34  14.808  -6.146  -4.694
  265    HE2  LYS  34           2HE      LYS  34  12.379  -7.752  -5.467
  266    HE3  LYS  34           1HE      LYS  34  13.116  -6.516  -6.484
  267    HZ1  LYS  34           3HZ      LYS  34  14.374  -9.049  -5.562
  268    HZ2  LYS  34           1HZ      LYS  34  15.198  -7.820  -6.399
  269    HZ3  LYS  34           2HZ      LYS  34  13.924  -8.645  -7.149
  270    H    SER  35           H        SER  35  14.034  -3.746  -1.910
  271    HA   SER  35           HA       SER  35  11.331  -2.936  -2.388
  272    HB2  SER  35           2HB      SER  35  12.523  -0.815  -3.242
  273    HB3  SER  35           1HB      SER  35  12.689  -1.236  -1.538
  274    HG   SER  35           HG       SER  35  14.572  -1.768  -3.610
  275    H    MET  36           H        MET  36  10.211  -2.948  -4.208
  276    HA   MET  36           HA       MET  36  11.643  -3.490  -6.724
  277    HB2  MET  36           2HB      MET  36   9.702  -4.918  -7.392
  278    HB3  MET  36           1HB      MET  36  10.643  -5.569  -6.059
  279    HG2  MET  36           2HG      MET  36   8.987  -4.859  -4.472
  280    HG3  MET  36           1HG      MET  36   8.074  -4.040  -5.738
  281    HE1  MET  36           3HE      MET  36   6.708  -6.987  -7.873
  282    HE2  MET  36           1HE      MET  36   8.172  -6.042  -8.158
  283    HE3  MET  36           2HE      MET  36   6.699  -5.245  -7.604
  284    H    ASN  37           H        ASN  37   9.879  -3.263  -8.586
  285    HA   ASN  37           HA       ASN  37   9.079  -0.512  -8.541
  286    HB2  ASN  37           2HB      ASN  37   8.412  -0.838 -10.828
  287    HB3  ASN  37           1HB      ASN  37   9.923  -1.706 -10.586
  288   HD21  ASN  37          1HD2      ASN  37   9.894  -3.982 -10.533
  289   HD22  ASN  37          2HD2      ASN  37   8.563  -4.876 -11.184
  290    H    MET  38           H        MET  38   6.903   0.263  -8.885
  291    HA   MET  38           HA       MET  38   4.877  -1.586  -7.802
  292    HB2  MET  38           2HB      MET  38   5.537   0.171  -6.185
  293    HB3  MET  38           1HB      MET  38   5.059   1.399  -7.348
  294    HG2  MET  38           2HG      MET  38   2.762   0.691  -7.221
  295    HG3  MET  38           1HG      MET  38   3.199  -0.656  -6.173
  296    HE1  MET  38           3HE      MET  38   1.340   0.086  -4.417
  297    HE2  MET  38           1HE      MET  38   0.895   1.412  -5.492
  298    HE3  MET  38           2HE      MET  38   1.202   1.726  -3.785
  299    HA   PRO  39           HA       PRO  39   2.920  -0.698 -11.674
  300    HB2  PRO  39           2HB      PRO  39   0.678  -2.152 -11.305
  301    HB3  PRO  39           1HB      PRO  39   2.250  -2.896 -11.616
  302    HG2  PRO  39           2HG      PRO  39   0.795  -2.547  -9.029
  303    HG3  PRO  39           1HG      PRO  39   1.718  -3.940  -9.616
  304    HD2  PRO  39           2HD      PRO  39   2.698  -2.101  -7.840
  305    HD3  PRO  39           1HD      PRO  39   3.716  -3.054  -8.939
  306    H    GLU  40           H        GLU  40   1.357   0.622 -12.496
  307    HA   GLU  40           HA       GLU  40  -0.287   2.096 -10.543
  308    HB2  GLU  40           2HB      GLU  40   1.324   3.499 -11.758
  309    HB3  GLU  40           1HB      GLU  40   0.684   2.926 -13.292
  310    HG2  GLU  40           2HG      GLU  40  -1.512   3.914 -12.665
  311    HG3  GLU  40           1HG      GLU  40  -0.736   4.609 -11.245
  312    H    GLY  41           H        GLY  41  -2.502   2.208 -10.855
  313    HA2  GLY  41           2HA      GLY  41  -4.501   2.043 -12.063
  314    HA3  GLY  41           1HA      GLY  41  -3.619   1.288 -13.383
  315    H    LYS  42           H        LYS  42  -2.332  -0.655 -11.623
  316    HA   LYS  42           HA       LYS  42  -4.446  -2.619 -11.632
  317    HB2  LYS  42           2HB      LYS  42  -1.547  -2.840 -10.824
  318    HB3  LYS  42           1HB      LYS  42  -2.664  -4.189 -10.949
  319    HG2  LYS  42           2HG      LYS  42  -2.941  -3.689 -13.360
  320    HG3  LYS  42           1HG      LYS  42  -1.719  -2.426 -13.199
  321    HD2  LYS  42           2HD      LYS  42  -0.734  -4.482 -14.074
  322    HD3  LYS  42           1HD      LYS  42  -0.082  -4.105 -12.479
  323    HE2  LYS  42           2HE      LYS  42  -1.592  -5.722 -11.464
  324    HE3  LYS  42           1HE      LYS  42  -2.293  -6.077 -13.041
  325    HZ1  LYS  42           3HZ      LYS  42   0.528  -6.571 -12.238
  326    HZ2  LYS  42           1HZ      LYS  42  -0.133  -6.895 -13.768
  327    HZ3  LYS  42           2HZ      LYS  42  -0.682  -7.750 -12.411
  328    H    VAL  43           H        VAL  43  -5.335  -3.636  -9.897
  329    HA   VAL  43           HA       VAL  43  -4.869  -2.355  -7.320
  330    HB   VAL  43           HB       VAL  43  -7.193  -2.394  -8.063
  331   HG11  VAL  43          1HG1      VAL  43  -8.451  -4.497  -8.190
  332   HG12  VAL  43          2HG1      VAL  43  -6.941  -5.394  -8.009
  333   HG13  VAL  43          3HG1      VAL  43  -7.200  -4.384  -9.430
  334   HG21  VAL  43          3HG2      VAL  43  -8.209  -3.315  -6.058
  335   HG22  VAL  43          1HG2      VAL  43  -6.712  -2.469  -5.670
  336   HG23  VAL  43          2HG2      VAL  43  -6.740  -4.232  -5.719
  337    H    MET  44           H        MET  44  -3.944  -3.350  -5.680
  338    HA   MET  44           HA       MET  44  -3.102  -6.139  -6.055
  339    HB2  MET  44           2HB      MET  44  -1.958  -3.854  -4.463
  340    HB3  MET  44           1HB      MET  44  -1.518  -5.516  -4.104
  341    HG2  MET  44           2HG      MET  44   0.160  -4.565  -5.501
  342    HG3  MET  44           1HG      MET  44  -0.728  -5.765  -6.432
  343    HE1  MET  44           3HE      MET  44   0.003  -1.936  -5.897
  344    HE2  MET  44           1HE      MET  44  -1.705  -2.077  -5.473
  345    HE3  MET  44           2HE      MET  44  -1.227  -1.202  -6.927
  346    H    GLU  45           H        GLU  45  -3.539  -7.673  -4.522
  347    HA   GLU  45           HA       GLU  45  -5.597  -6.918  -2.595
  348    HB2  GLU  45           2HB      GLU  45  -6.202  -8.564  -4.322
  349    HB3  GLU  45           1HB      GLU  45  -4.897  -9.609  -3.782
  350    HG2  GLU  45           2HG      GLU  45  -5.963  -9.892  -1.652
  351    HG3  GLU  45           1HG      GLU  45  -7.252  -8.783  -2.111
  352    H    THR  46           H        THR  46  -5.518  -7.719  -0.503
  353    HA   THR  46           HA       THR  46  -2.765  -8.067   0.478
  354    HB   THR  46           HB       THR  46  -3.689  -7.376   2.687
  355    HG1  THR  46           1HG      THR  46  -5.953  -6.483   1.234
  356   HG21  THR  46          3HG2      THR  46  -3.880  -4.993   2.119
  357   HG22  THR  46          1HG2      THR  46  -4.064  -5.423   0.416
  358   HG23  THR  46          2HG2      THR  46  -2.550  -5.764   1.254
  359    H    ARG  47           H        ARG  47  -2.533  -9.401   2.503
  360    HA   ARG  47           HA       ARG  47  -3.125 -12.002   2.217
  361    HB2  ARG  47           2HB      ARG  47  -2.979 -10.546   4.853
  362    HB3  ARG  47           1HB      ARG  47  -2.765 -12.273   4.633
  363    HG2  ARG  47           2HG      ARG  47  -0.792 -11.728   3.170
  364    HG3  ARG  47           1HG      ARG  47  -0.967 -10.051   3.701
  365    HD2  ARG  47           2HD      ARG  47  -0.910 -11.003   6.080
  366    HD3  ARG  47           1HD      ARG  47  -0.296 -12.476   5.335
  367    HE   ARG  47           HE       ARG  47   1.063  -9.898   4.970
  368   HH11  ARG  47          1HH1      ARG  47   1.127 -13.285   5.860
  369   HH12  ARG  47          2HH1      ARG  47   2.836 -13.282   6.190
  370   HH21  ARG  47          1HH2      ARG  47   3.275  -9.881   5.412
  371   HH22  ARG  47          2HH2      ARG  47   4.059 -11.343   5.939
  372    H    ASP  48           H        ASP  48  -5.308  -9.642   3.771
  373    HA   ASP  48           HA       ASP  48  -6.976 -11.890   4.584
  374    HB2  ASP  48           2HB      ASP  48  -6.454 -10.310   6.355
  375    HB3  ASP  48           1HB      ASP  48  -7.163  -9.000   5.411
  376    H    GLY  49           H        GLY  49  -7.250  -8.833   2.794
  377    HA2  GLY  49           2HA      GLY  49  -8.602  -9.629   0.667
  378    HA3  GLY  49           1HA      GLY  49  -9.876  -9.708   1.870
  379    H    THR  50           H        THR  50  -7.407  -7.212   2.030
  380    HA   THR  50           HA       THR  50  -9.430  -5.245   1.204
  381    HB   THR  50           HB       THR  50  -6.768  -4.717   2.555
  382    HG1  THR  50           1HG      THR  50  -9.329  -5.321   3.619
  383   HG21  THR  50          3HG2      THR  50  -7.773  -2.779   1.416
  384   HG22  THR  50          1HG2      THR  50  -7.787  -2.568   3.166
  385   HG23  THR  50          2HG2      THR  50  -9.267  -3.022   2.321
  386    H    LYS  51           H        LYS  51  -8.778  -3.637  -0.393
  387    HA   LYS  51           HA       LYS  51  -6.547  -4.599  -2.060
  388    HB2  LYS  51           2HB      LYS  51  -9.288  -3.757  -3.010
  389    HB3  LYS  51           1HB      LYS  51  -7.934  -4.176  -4.058
  390    HG2  LYS  51           2HG      LYS  51  -7.909  -6.422  -3.234
  391    HG3  LYS  51           1HG      LYS  51  -9.120  -6.037  -2.014
  392    HD2  LYS  51           2HD      LYS  51 -10.724  -5.545  -3.837
  393    HD3  LYS  51           1HD      LYS  51  -9.507  -6.082  -5.002
  394    HE2  LYS  51           2HE      LYS  51  -9.443  -8.274  -3.922
  395    HE3  LYS  51           1HE      LYS  51 -10.658  -7.740  -2.763
  396    HZ1  LYS  51           3HZ      LYS  51 -11.048  -7.977  -5.694
  397    HZ2  LYS  51           1HZ      LYS  51 -12.221  -7.460  -4.581
  398    HZ3  LYS  51           2HZ      LYS  51 -11.632  -9.048  -4.525
  399    H    ILE  52           H        ILE  52  -5.393  -3.120  -3.220
  400    HA   ILE  52           HA       ILE  52  -5.954  -0.269  -2.790
  401    HB   ILE  52           HB       ILE  52  -3.580   0.139  -2.240
  402   HG12  ILE  52          2HG1      ILE  52  -3.378  -2.876  -2.036
  403   HG13  ILE  52          1HG1      ILE  52  -2.669  -1.902  -3.318
  404   HG21  ILE  52          1HG2      ILE  52  -5.235  -0.095  -0.443
  405   HG22  ILE  52          2HG2      ILE  52  -3.637  -0.641   0.058
  406   HG23  ILE  52          3HG2      ILE  52  -4.883  -1.820  -0.355
  407   HD11  ILE  52          3HD1      ILE  52  -0.987  -2.506  -1.709
  408   HD12  ILE  52          1HD1      ILE  52  -1.947  -1.817  -0.398
  409   HD13  ILE  52          2HD1      ILE  52  -1.270  -0.765  -1.640
  410    H    ILE  53           H        ILE  53  -4.767   1.134  -4.244
  411    HA   ILE  53           HA       ILE  53  -3.173   0.033  -6.347
  412    HB   ILE  53           HB       ILE  53  -5.006  -0.619  -7.574
  413   HG12  ILE  53          2HG1      ILE  53  -3.590   1.345  -8.682
  414   HG13  ILE  53          1HG1      ILE  53  -4.946   0.593  -9.510
  415   HG21  ILE  53          1HG2      ILE  53  -6.729   0.195  -6.086
  416   HG22  ILE  53          2HG2      ILE  53  -7.124   0.574  -7.765
  417   HG23  ILE  53          3HG2      ILE  53  -6.509   1.836  -6.696
  418   HD11  ILE  53          3HD1      ILE  53  -5.047   3.184  -7.975
  419   HD12  ILE  53          1HD1      ILE  53  -6.388   2.441  -8.846
  420   HD13  ILE  53          2HD1      ILE  53  -4.974   3.021  -9.730
  421    H    MET  54           H        MET  54  -2.156   1.625  -7.638
  422    HA   MET  54           HA       MET  54  -2.232   4.303  -6.400
  423    HB2  MET  54           2HB      MET  54  -0.128   3.183  -5.934
  424    HB3  MET  54           1HB      MET  54   0.079   2.781  -7.634
  425    HG2  MET  54           2HG      MET  54   0.252   5.188  -8.146
  426    HG3  MET  54           1HG      MET  54   0.134   5.538  -6.422
  427    HE1  MET  54           3HE      MET  54   2.441   6.939  -6.631
  428    HE2  MET  54           1HE      MET  54   2.516   6.530  -8.345
  429    HE3  MET  54           2HE      MET  54   3.917   6.255  -7.310
  430    H    LYS  55           H        LYS  55  -2.817   5.907  -7.692
  431    HA   LYS  55           HA       LYS  55  -2.213   5.773 -10.544
  432    HB2  LYS  55           2HB      LYS  55  -4.523   4.849 -10.225
  433    HB3  LYS  55           1HB      LYS  55  -4.997   6.399  -9.543
  434    HG2  LYS  55           2HG      LYS  55  -5.666   6.232 -11.866
  435    HG3  LYS  55           1HG      LYS  55  -4.453   7.499 -11.654
  436    HD2  LYS  55           2HD      LYS  55  -2.715   5.871 -12.383
  437    HD3  LYS  55           1HD      LYS  55  -4.000   4.708 -12.714
  438    HE2  LYS  55           2HE      LYS  55  -4.953   6.176 -14.377
  439    HE3  LYS  55           1HE      LYS  55  -3.777   7.432 -13.989
  440    HZ1  LYS  55           3HZ      LYS  55  -3.131   6.247 -15.975
  441    HZ2  LYS  55           1HZ      LYS  55  -3.176   4.763 -15.157
  442    HZ3  LYS  55           2HZ      LYS  55  -2.011   5.926 -14.743
  443    H    GLY  56           H        GLY  56  -1.525   7.703 -11.283
  444    HA2  GLY  56           2HA      GLY  56  -0.880   9.903 -11.251
  445    HA3  GLY  56           1HA      GLY  56  -2.429  10.215 -10.484
  446    H    ASN  57           H        ASN  57   0.187   8.254  -9.187
  447    HA   ASN  57           HA       ASN  57   1.537   8.431  -7.370
  448    HB2  ASN  57           2HB      ASN  57   0.828  11.374  -7.372
  449    HB3  ASN  57           1HB      ASN  57   2.103  10.625  -6.417
  450   HD21  ASN  57          1HD2      ASN  57   1.081  11.617  -9.560
  451   HD22  ASN  57          2HD2      ASN  57   2.628  11.493 -10.334
  452    H    GLU  58           H        GLU  58  -1.709   9.171  -7.350
  453    HA   GLU  58           HA       GLU  58  -1.990   9.317  -4.473
  454    HB2  GLU  58           2HB      GLU  58  -3.913   9.297  -6.763
  455    HB3  GLU  58           1HB      GLU  58  -4.470   9.066  -5.109
  456    HG2  GLU  58           2HG      GLU  58  -2.935  11.446  -6.134
  457    HG3  GLU  58           1HG      GLU  58  -4.661  11.383  -5.805
  458    H    ILE  59           H        ILE  59  -2.570   7.719  -3.138
  459    HA   ILE  59           HA       ILE  59  -2.800   5.052  -4.303
  460    HB   ILE  59           HB       ILE  59  -1.493   6.077  -1.949
  461   HG12  ILE  59          2HG1      ILE  59  -0.549   4.645  -3.740
  462   HG13  ILE  59          1HG1      ILE  59  -0.253   4.023  -2.121
  463   HG21  ILE  59          1HG2      ILE  59  -2.061   4.292  -0.366
  464   HG22  ILE  59          2HG2      ILE  59  -3.336   3.740  -1.453
  465   HG23  ILE  59          3HG2      ILE  59  -3.447   5.331  -0.702
  466   HD11  ILE  59          3HD1      ILE  59  -2.045   2.406  -2.414
  467   HD12  ILE  59          1HD1      ILE  59  -0.832   2.252  -3.683
  468   HD13  ILE  59          2HD1      ILE  59  -2.369   3.047  -4.024
  469    H    PHE  60           H        PHE  60  -4.678   4.164  -4.488
  470    HA   PHE  60           HA       PHE  60  -6.995   4.962  -2.925
  471    HB2  PHE  60           2HB      PHE  60  -7.744   4.384  -5.003
  472    HB3  PHE  60           1HB      PHE  60  -6.410   3.289  -5.301
  473    HD1  PHE  60           1HD      PHE  60  -6.523   1.010  -4.064
  474    HD2  PHE  60           2HD      PHE  60  -9.889   3.524  -4.672
  475    HE1  PHE  60           1HE      PHE  60  -7.979  -0.933  -3.863
  476    HE2  PHE  60           2HE      PHE  60 -11.376   1.567  -4.448
  477    HZ   PHE  60           HZ       PHE  60 -10.406  -0.676  -4.051
  478    H    ARG  61           H        ARG  61  -7.203   4.229  -0.935
  479    HA   ARG  61           HA       ARG  61  -6.494   1.420  -0.434
  480    HB2  ARG  61           2HB      ARG  61  -5.279   3.006   1.055
  481    HB3  ARG  61           1HB      ARG  61  -6.820   3.662   1.591
  482    HG2  ARG  61           2HG      ARG  61  -7.178   1.028   2.110
  483    HG3  ARG  61           1HG      ARG  61  -5.441   1.196   2.373
  484    HD2  ARG  61           2HD      ARG  61  -7.659   2.732   3.705
  485    HD3  ARG  61           1HD      ARG  61  -6.548   1.590   4.453
  486    HE   ARG  61           HE       ARG  61  -4.996   3.609   3.358
  487   HH11  ARG  61          1HH1      ARG  61  -7.416   3.252   5.864
  488   HH12  ARG  61          2HH1      ARG  61  -6.804   4.576   6.817
  489   HH21  ARG  61          1HH2      ARG  61  -4.207   5.380   4.590
  490   HH22  ARG  61          2HH2      ARG  61  -5.018   5.813   6.070
  491    H    LEU  62           H        LEU  62  -8.267   0.317  -0.678
  492    HA   LEU  62           HA       LEU  62 -10.437   0.070  -1.519
  493    HB2  LEU  62           2HB      LEU  62 -12.041  -0.134   0.272
  494    HB3  LEU  62           1HB      LEU  62 -10.488  -0.784   0.751
  495    HG   LEU  62           HG       LEU  62 -10.782   1.998   1.572
  496   HD11  LEU  62          1HD1      LEU  62 -13.151   1.400   1.668
  497   HD12  LEU  62          2HD1      LEU  62 -12.471   1.611   3.283
  498   HD13  LEU  62          3HD1      LEU  62 -12.761  -0.011   2.653
  499   HD21  LEU  62          3HD2      LEU  62  -9.075   0.448   2.396
  500   HD22  LEU  62          1HD2      LEU  62 -10.335  -0.572   3.094
  501   HD23  LEU  62          2HD2      LEU  62 -10.084   1.062   3.706
  502    H    ASP  63           H        ASP  63  -9.465   3.073  -1.357
  503    HA   ASP  63           HA       ASP  63 -10.182   5.195  -1.430
  504    HB2  ASP  63           2HB      ASP  63 -11.025   4.468  -3.584
  505    HB3  ASP  63           1HB      ASP  63 -12.513   3.920  -2.844
  506    H    GLU  64           H        GLU  64 -12.024   6.739  -0.843
  507    HA   GLU  64           HA       GLU  64 -13.470   7.628   0.669
  508    HB2  GLU  64           2HB      GLU  64 -14.925   5.663   0.345
  509    HB3  GLU  64           1HB      GLU  64 -14.010   4.787   1.562
  510    HG2  GLU  64           2HG      GLU  64 -16.071   5.599   2.502
  511    HG3  GLU  64           1HG      GLU  64 -14.705   6.422   3.251
  512    H    ALA  65           H        ALA  65 -11.418   5.047   1.913
  513    HA   ALA  65           HA       ALA  65 -10.961   5.879   4.498
  514    HB1  ALA  65           1HB      ALA  65  -9.987   3.933   2.956
  515    HB2  ALA  65           2HB      ALA  65  -9.244   4.405   4.490
  516    HB3  ALA  65           3HB      ALA  65  -8.586   5.011   2.969
  517    H    LEU  66           H        LEU  66  -9.587   7.070   1.514
  518    HA   LEU  66           HA       LEU  66  -7.947   9.035   2.921
  519    HB2  LEU  66           2HB      LEU  66  -8.138   8.540  -0.041
  520    HB3  LEU  66           1HB      LEU  66  -6.875   9.405   0.822
  521    HG   LEU  66           HG       LEU  66  -6.840   6.921   2.010
  522   HD11  LEU  66          1HD1      LEU  66  -8.345   6.011   0.345
  523   HD12  LEU  66          2HD1      LEU  66  -6.736   5.313   0.172
  524   HD13  LEU  66          3HD1      LEU  66  -7.280   6.563  -0.947
  525   HD21  LEU  66          3HD2      LEU  66  -5.188   7.946  -0.284
  526   HD22  LEU  66          1HD2      LEU  66  -4.734   6.644   0.818
  527   HD23  LEU  66          2HD2      LEU  66  -4.934   8.288   1.428
  528    H    ARG  67           H        ARG  67 -10.840   8.686   1.120
  529    HA   ARG  67           HA       ARG  67 -11.234  11.292   0.160
  530    HB2  ARG  67           2HB      ARG  67 -12.526   9.246  -0.495
  531    HB3  ARG  67           1HB      ARG  67 -13.344   9.318   1.056
  532    HG2  ARG  67           2HG      ARG  67 -14.117  11.612   0.398
  533    HG3  ARG  67           1HG      ARG  67 -13.499  11.269  -1.215
  534    HD2  ARG  67           2HD      ARG  67 -15.614   9.719   0.269
  535    HD3  ARG  67           1HD      ARG  67 -15.879  10.795  -1.100
  536    HE   ARG  67           HE       ARG  67 -14.053   8.725  -1.773
  537   HH11  ARG  67          1HH1      ARG  67 -17.447   9.382  -1.275
  538   HH12  ARG  67          2HH1      ARG  67 -17.984   8.077  -2.282
  539   HH21  ARG  67          1HH2      ARG  67 -14.759   6.973  -3.106
  540   HH22  ARG  67          2HH2      ARG  67 -16.476   6.722  -3.313
  541    H    LYS  68           H        LYS  68 -12.531   9.716   3.086
  542    HA   LYS  68           HA       LYS  68 -12.405  12.331   4.420
  543    HB2  LYS  68           2HB      LYS  68 -14.660  10.329   4.628
  544    HB3  LYS  68           1HB      LYS  68 -14.465  11.719   5.685
  545    HG2  LYS  68           2HG      LYS  68 -14.612  13.176   3.657
  546    HG3  LYS  68           1HG      LYS  68 -15.029  11.732   2.730
  547    HD2  LYS  68           2HD      LYS  68 -16.543  12.795   5.115
  548    HD3  LYS  68           1HD      LYS  68 -17.024  12.981   3.428
  549    HE2  LYS  68           2HE      LYS  68 -16.689  10.349   4.864
  550    HE3  LYS  68           1HE      LYS  68 -18.229  11.156   4.576
  551    HZ1  LYS  68           3HZ      LYS  68 -16.404   9.899   2.613
  552    HZ2  LYS  68           1HZ      LYS  68 -17.551  11.064   2.133
  553    HZ3  LYS  68           2HZ      LYS  68 -18.059   9.625   2.864
  554    H    GLY  69           H        GLY  69 -10.698  11.994   5.737
  555    HA2  GLY  69           2HA      GLY  69 -10.446  11.291   8.099
  556    HA3  GLY  69           1HA      GLY  69 -10.948   9.691   7.575
  557    H    HIS  70           H        HIS  70  -8.854  11.458   5.477
  558    HA   HIS  70           HA       HIS  70  -6.730   9.559   6.052
  559    HB2  HIS  70           2HB      HIS  70  -7.426  10.257   3.694
  560    HB3  HIS  70           1HB      HIS  70  -6.620  11.788   4.018
  561    HD1  HIS  70           1HD      HIS  70  -4.847  11.351   2.185
  562    HD2  HIS  70           2HD      HIS  70  -4.936   8.469   5.186
  563    HE1  HIS  70           1HE      HIS  70  -2.746  10.001   1.897
  564    HE2  HIS  70           2HE      HIS  70  -2.716   8.414   3.855
  565    H    SER  71           H        SER  71  -6.483  13.048   5.358
  566    HA   SER  71           HA       SER  71  -5.222  14.698   6.312
  567    HB2  SER  71           2HB      SER  71  -6.151  13.303   8.836
  568    HB3  SER  71           1HB      SER  71  -5.571  14.967   8.733
  569    HG   SER  71           HG       SER  71  -7.397  14.960   6.968
  570    H    GLU  72           H        GLU  72  -3.650  12.635   5.455
  571    HA   GLU  72           HA       GLU  72  -2.012  11.565   7.563
  572    HB2  GLU  72           2HB      GLU  72  -2.734  10.382   5.442
  573    HB3  GLU  72           1HB      GLU  72  -1.572  11.386   4.590
  574    HG2  GLU  72           2HG      GLU  72   0.225  10.446   5.957
  575    HG3  GLU  72           1HG      GLU  72  -0.956   9.416   6.777
  576    H    GLY  73           H        GLY  73   0.164  11.995   7.922
  577    HA2  GLY  73           2HA      GLY  73   2.197  13.110   7.706
  578    HA3  GLY  73           1HA      GLY  73   1.525  14.026   6.363
  579    H    GLY  74           H        GLY  74  -0.598  15.267   7.336
  580    HA2  GLY  74           2HA      GLY  74  -0.860  16.346   9.762
  581    HA3  GLY  74           1HA      GLY  74   0.573  17.181   9.173
  Start of MODEL   10
    1    H1   VAL   1           1HT      VAL   1  12.288  -2.704   4.875
    2    H2   VAL   1           2HT      VAL   1  10.950  -3.252   3.984
    3    H3   VAL   1           3HT      VAL   1  11.060  -3.578   5.649
    4    HA   VAL   1           HA       VAL   1  10.804  -0.886   4.439
    5    HB   VAL   1           HB       VAL   1   8.749  -2.228   4.211
    6   HG11  VAL   1          2HG1      VAL   1   8.763  -2.405   7.223
    7   HG12  VAL   1          3HG1      VAL   1   9.091  -3.741   6.116
    8   HG13  VAL   1          1HG1      VAL   1   7.497  -2.986   6.141
    9   HG21  VAL   1          1HG2      VAL   1   8.481  -0.080   6.309
   10   HG22  VAL   1          2HG2      VAL   1   7.214  -0.661   5.224
   11   HG23  VAL   1          3HG2      VAL   1   8.611   0.194   4.571
   12    H    ASP   2           H        ASP   2  10.904   0.835   5.871
   13    HA   ASP   2           HA       ASP   2  11.931   0.328   8.530
   14    HB2  ASP   2           2HB      ASP   2  12.217   2.668   8.738
   15    HB3  ASP   2           1HB      ASP   2  12.559   2.336   7.043
   16    H    MET   3           H        MET   3  10.810   1.585  10.390
   17    HA   MET   3           HA       MET   3   7.903   1.368  10.104
   18    HB2  MET   3           2HB      MET   3   9.419   0.534  12.571
   19    HB3  MET   3           1HB      MET   3   7.730   0.284  12.199
   20    HG2  MET   3           2HG      MET   3   8.654  -1.084  10.185
   21    HG3  MET   3           1HG      MET   3  10.113  -1.154  11.168
   22    HE1  MET   3           3HE      MET   3   6.645  -2.523  10.460
   23    HE2  MET   3           1HE      MET   3   6.208  -1.406  11.755
   24    HE3  MET   3           2HE      MET   3   6.075  -3.146  12.011
   25    H    SER   4           H        SER   4   9.706   3.640  10.007
   26    HA   SER   4           HA       SER   4   8.994   5.042  12.506
   27    HB2  SER   4           2HB      SER   4  11.207   5.808  10.596
   28    HB3  SER   4           1HB      SER   4  10.958   6.372  12.248
   29    HG   SER   4           HG       SER   4  11.490   4.333  13.007
   30    H    ASN   5           H        ASN   5   9.043   5.227   8.992
   31    HA   ASN   5           HA       ASN   5   7.618   7.807   9.168
   32    HB2  ASN   5           2HB      ASN   5   9.659   8.231   8.112
   33    HB3  ASN   5           1HB      ASN   5   9.598   6.756   7.161
   34   HD21  ASN   5          1HD2      ASN   5   8.215   6.697   5.348
   35   HD22  ASN   5          2HD2      ASN   5   7.735   8.173   4.569
   36    H    VAL   6           H        VAL   6   6.989   4.653   8.651
   37    HA   VAL   6           HA       VAL   6   5.194   5.215   6.413
   38    HB   VAL   6           HB       VAL   6   6.833   3.376   6.194
   39   HG11  VAL   6          1HG1      VAL   6   6.803   2.498   8.458
   40   HG12  VAL   6          2HG1      VAL   6   6.376   1.232   7.304
   41   HG13  VAL   6          3HG1      VAL   6   5.118   2.009   8.266
   42   HG21  VAL   6          3HG2      VAL   6   4.952   3.432   4.765
   43   HG22  VAL   6          1HG2      VAL   6   3.908   2.729   6.006
   44   HG23  VAL   6          2HG2      VAL   6   5.189   1.763   5.283
   45    H    VAL   7           H        VAL   7   3.011   5.075   6.571
   46    HA   VAL   7           HA       VAL   7   1.979   4.966   9.289
   47    HB   VAL   7           HB       VAL   7  -0.201   5.691   8.299
   48   HG11  VAL   7          1HG1      VAL   7   1.323   7.304   9.252
   49   HG12  VAL   7          2HG1      VAL   7   0.541   7.988   7.827
   50   HG13  VAL   7          3HG1      VAL   7   2.206   7.413   7.730
   51   HG21  VAL   7          3HG2      VAL   7  -0.425   6.356   6.057
   52   HG22  VAL   7          1HG2      VAL   7   0.352   4.775   5.977
   53   HG23  VAL   7          2HG2      VAL   7   1.314   6.248   5.756
   54    H    LYS   8           H        LYS   8   2.016   2.940   6.485
   55    HA   LYS   8           HA       LYS   8   0.953   0.781   7.974
   56    HB2  LYS   8           2HB      LYS   8  -1.156   1.965   7.470
   57    HB3  LYS   8           1HB      LYS   8  -0.834   1.786   5.753
   58    HG2  LYS   8           2HG      LYS   8  -2.403   0.105   6.436
   59    HG3  LYS   8           1HG      LYS   8  -0.866  -0.678   6.066
   60    HD2  LYS   8           2HD      LYS   8  -0.334  -0.682   8.480
   61    HD3  LYS   8           1HD      LYS   8  -1.920   0.010   8.810
   62    HE2  LYS   8           2HE      LYS   8  -1.380  -2.663   7.521
   63    HE3  LYS   8           1HE      LYS   8  -1.906  -2.402   9.181
   64    HZ1  LYS   8           3HZ      LYS   8  -3.432  -1.968   6.688
   65    HZ2  LYS   8           1HZ      LYS   8  -3.901  -1.239   8.142
   66    HZ3  LYS   8           2HZ      LYS   8  -3.839  -2.927   8.021
   67    H    THR   9           H        THR   9   1.766  -0.974   7.287
   68    HA   THR   9           HA       THR   9   2.632  -1.203   4.492
   69    HB   THR   9           HB       THR   9   3.535  -2.561   7.010
   70    HG1  THR   9           1HG      THR   9   4.956  -1.049   6.724
   71   HG21  THR   9          3HG2      THR   9   3.211  -4.357   5.363
   72   HG22  THR   9          1HG2      THR   9   4.920  -4.087   5.707
   73   HG23  THR   9          2HG2      THR   9   4.213  -3.469   4.215
   74    H    TYR  10           H        TYR  10   1.967  -2.901   3.265
   75    HA   TYR  10           HA       TYR  10  -0.296  -4.460   4.278
   76    HB2  TYR  10           2HB      TYR  10  -0.023  -2.855   1.782
   77    HB3  TYR  10           1HB      TYR  10  -1.014  -4.311   1.758
   78    HD1  TYR  10           2HD      TYR  10  -2.687  -4.468   3.865
   79    HD2  TYR  10           1HD      TYR  10  -1.044  -0.900   2.253
   80    HE1  TYR  10           2HE      TYR  10  -4.543  -3.176   4.841
   81    HE2  TYR  10           1HE      TYR  10  -2.876   0.399   3.204
   82    HH   TYR  10           HH       TYR  10  -4.977   0.246   4.118
   83    H    ASP  11           H        ASP  11  -0.368  -6.465   3.899
   84    HA   ASP  11           HA       ASP  11   1.920  -7.705   2.556
   85    HB2  ASP  11           2HB      ASP  11  -0.139  -8.750   4.506
   86    HB3  ASP  11           1HB      ASP  11   0.968  -9.808   3.643
   87    H    LEU  12           H        LEU  12   1.643  -8.387   0.591
   88    HA   LEU  12           HA       LEU  12  -0.898  -8.117  -0.705
   89    HB2  LEU  12           2HB      LEU  12   1.767  -9.096  -1.705
   90    HB3  LEU  12           1HB      LEU  12   0.332  -9.033  -2.719
   91    HG   LEU  12           HG       LEU  12   1.992  -6.794  -1.658
   92   HD11  LEU  12          1HD1      LEU  12   1.811  -5.995  -3.895
   93   HD12  LEU  12          2HD1      LEU  12   0.535  -7.155  -4.265
   94   HD13  LEU  12          3HD1      LEU  12   2.177  -7.720  -3.973
   95   HD21  LEU  12          3HD2      LEU  12   0.186  -5.196  -2.109
   96   HD22  LEU  12          1HD2      LEU  12  -0.224  -6.278  -0.779
   97   HD23  LEU  12          2HD2      LEU  12  -0.932  -6.534  -2.374
   98    H    GLN  13           H        GLN  13   0.300 -10.638   1.072
   99    HA   GLN  13           HA       GLN  13  -1.020 -12.474   1.707
  100    HB2  GLN  13           2HB      GLN  13  -2.752 -11.428  -0.086
  101    HB3  GLN  13           1HB      GLN  13  -2.240 -12.861  -0.961
  102    HG2  GLN  13           2HG      GLN  13  -3.585 -12.711   1.709
  103    HG3  GLN  13           1HG      GLN  13  -4.196 -13.396   0.211
  104   HE21  GLN  13          1HE2      GLN  13  -3.429 -15.402  -0.485
  105   HE22  GLN  13          2HE2      GLN  13  -2.643 -16.497   0.599
  106    H    ASP  14           H        ASP  14   0.408 -12.070  -1.427
  107    HA   ASP  14           HA       ASP  14   1.229 -14.828  -1.722
  108    HB2  ASP  14           2HB      ASP  14   0.755 -13.629  -3.761
  109    HB3  ASP  14           1HB      ASP  14   1.812 -12.302  -3.292
  110    H    GLY  15           H        GLY  15   2.471 -11.752  -0.756
  111    HA2  GLY  15           2HA      GLY  15   4.190 -12.343   1.139
  112    HA3  GLY  15           1HA      GLY  15   5.111 -12.849  -0.252
  113    H    SER  16           H        SER  16   3.976 -10.636  -1.891
  114    HA   SER  16           HA       SER  16   6.016  -8.764  -1.476
  115    HB2  SER  16           2HB      SER  16   3.438  -8.008  -2.799
  116    HB3  SER  16           1HB      SER  16   5.082  -7.555  -3.236
  117    HG   SER  16           HG       SER  16   5.193 -10.053  -3.556
  118    H    LYS  17           H        LYS  17   5.994  -6.695  -0.580
  119    HA   LYS  17           HA       LYS  17   3.762  -6.198   1.272
  120    HB2  LYS  17           2HB      LYS  17   6.632  -5.434   1.784
  121    HB3  LYS  17           1HB      LYS  17   5.297  -5.472   2.931
  122    HG2  LYS  17           2HG      LYS  17   5.204  -7.967   2.537
  123    HG3  LYS  17           1HG      LYS  17   6.747  -7.792   1.694
  124    HD2  LYS  17           2HD      LYS  17   7.736  -6.837   3.710
  125    HD3  LYS  17           1HD      LYS  17   6.193  -7.020   4.556
  126    HE2  LYS  17           2HE      LYS  17   6.377  -9.504   3.878
  127    HE3  LYS  17           1HE      LYS  17   8.076  -9.143   3.586
  128    HZ1  LYS  17           3HZ      LYS  17   8.172  -8.305   5.914
  129    HZ2  LYS  17           1HZ      LYS  17   7.861  -9.970   5.781
  130    HZ3  LYS  17           2HZ      LYS  17   6.597  -8.898   6.144
  131    H    VAL  18           H        VAL  18   2.795  -4.332   1.033
  132    HA   VAL  18           HA       VAL  18   4.111  -2.214  -0.549
  133    HB   VAL  18           HB       VAL  18   1.176  -2.790  -0.035
  134   HG11  VAL  18          1HG1      VAL  18   2.410  -0.519  -1.602
  135   HG12  VAL  18          2HG1      VAL  18   1.540  -0.379  -0.074
  136   HG13  VAL  18          3HG1      VAL  18   0.691  -0.901  -1.528
  137   HG21  VAL  18          3HG2      VAL  18   1.071  -3.144  -2.463
  138   HG22  VAL  18          1HG2      VAL  18   2.198  -4.257  -1.686
  139   HG23  VAL  18          2HG2      VAL  18   2.809  -2.863  -2.574
  140    H    HIS  19           H        HIS  19   4.257  -0.147   0.340
  141    HA   HIS  19           HA       HIS  19   3.033   0.217   2.981
  142    HB2  HIS  19           2HB      HIS  19   5.689   1.428   2.761
  143    HB3  HIS  19           1HB      HIS  19   4.940   0.581   4.101
  144    HD1  HIS  19           1HD      HIS  19   4.925  -2.169   3.722
  145    HD2  HIS  19           2HD      HIS  19   7.737   0.109   1.739
  146    HE1  HIS  19           1HE      HIS  19   6.702  -3.794   3.005
  147    HE2  HIS  19           2HE      HIS  19   8.527  -2.340   2.059
  148    H    VAL  20           H        VAL  20   2.105   2.094   3.249
  149    HA   VAL  20           HA       VAL  20   2.685   4.175   1.254
  150    HB   VAL  20           HB       VAL  20   0.274   3.925   3.070
  151   HG11  VAL  20          1HG1      VAL  20  -0.640   5.785   1.732
  152   HG12  VAL  20          2HG1      VAL  20   0.896   5.911   0.872
  153   HG13  VAL  20          3HG1      VAL  20   0.820   6.260   2.600
  154   HG21  VAL  20          3HG2      VAL  20   0.260   2.231   1.337
  155   HG22  VAL  20          1HG2      VAL  20   0.606   3.445   0.103
  156   HG23  VAL  20          2HG2      VAL  20  -0.941   3.468   0.961
  157    H    PHE  21           H        PHE  21   3.674   5.968   1.929
  158    HA   PHE  21           HA       PHE  21   4.654   5.794   4.682
  159    HB2  PHE  21           2HB      PHE  21   5.816   7.084   2.215
  160    HB3  PHE  21           1HB      PHE  21   6.561   7.149   3.806
  161    HD1  PHE  21           2HD      PHE  21   7.607   5.127   4.789
  162    HD2  PHE  21           1HD      PHE  21   5.831   5.060   0.913
  163    HE1  PHE  21           2HE      PHE  21   8.684   2.978   4.322
  164    HE2  PHE  21           1HE      PHE  21   6.912   2.911   0.451
  165    HZ   PHE  21           HZ       PHE  21   8.457   1.914   2.212
  166    H    LYS  22           H        LYS  22   5.211   7.855   5.772
  167    HA   LYS  22           HA       LYS  22   2.881   9.384   6.092
  168    HB2  LYS  22           2HB      LYS  22   5.721   9.806   7.054
  169    HB3  LYS  22           1HB      LYS  22   4.393  10.871   7.512
  170    HG2  LYS  22           2HG      LYS  22   3.225   8.917   8.482
  171    HG3  LYS  22           1HG      LYS  22   4.636   7.930   8.100
  172    HD2  LYS  22           2HD      LYS  22   4.424  10.206  10.049
  173    HD3  LYS  22           1HD      LYS  22   4.864   8.529  10.358
  174    HE2  LYS  22           2HE      LYS  22   6.921   8.869   9.023
  175    HE3  LYS  22           1HE      LYS  22   6.496  10.573   8.859
  176    HZ1  LYS  22           3HZ      LYS  22   8.065  10.280  10.648
  177    HZ2  LYS  22           1HZ      LYS  22   7.063   9.140  11.402
  178    HZ3  LYS  22           2HZ      LYS  22   6.570  10.752  11.289
  179    H    ASP  23           H        ASP  23   5.429   9.737   3.862
  180    HA   ASP  23           HA       ASP  23   5.220  12.604   3.593
  181    HB2  ASP  23           2HB      ASP  23   6.599  10.820   1.612
  182    HB3  ASP  23           1HB      ASP  23   6.999  12.469   2.074
  183    H    GLY  24           H        GLY  24   3.536   9.932   2.671
  184    HA2  GLY  24           2HA      GLY  24   1.592  10.036   1.412
  185    HA3  GLY  24           1HA      GLY  24   2.254  11.410   0.558
  186    H    LYS  25           H        LYS  25   4.798   9.377   0.478
  187    HA   LYS  25           HA       LYS  25   4.094   8.366  -2.108
  188    HB2  LYS  25           2HB      LYS  25   6.552   7.730  -0.487
  189    HB3  LYS  25           1HB      LYS  25   6.331   7.485  -2.210
  190    HG2  LYS  25           2HG      LYS  25   7.321   9.435  -2.508
  191    HG3  LYS  25           1HG      LYS  25   5.877  10.193  -1.830
  192    HD2  LYS  25           2HD      LYS  25   7.921  10.927  -0.676
  193    HD3  LYS  25           1HD      LYS  25   6.818  10.061   0.395
  194    HE2  LYS  25           2HE      LYS  25   8.145   8.028   0.135
  195    HE3  LYS  25           1HE      LYS  25   9.236   8.869  -0.963
  196    HZ1  LYS  25           3HZ      LYS  25   9.969  10.271   0.805
  197    HZ2  LYS  25           1HZ      LYS  25  10.071   8.667   1.346
  198    HZ3  LYS  25           2HZ      LYS  25   8.799   9.658   1.876
  199    H    MET  26           H        MET  26   4.990   5.959  -2.382
  200    HA   MET  26           HA       MET  26   4.419   4.271  -0.140
  201    HB2  MET  26           2HB      MET  26   2.694   2.971  -1.133
  202    HB3  MET  26           1HB      MET  26   2.186   4.651  -1.132
  203    HG2  MET  26           2HG      MET  26   3.216   3.085  -3.464
  204    HG3  MET  26           1HG      MET  26   1.562   3.555  -3.155
  205    HE1  MET  26           3HE      MET  26   0.619   6.039  -3.434
  206    HE2  MET  26           1HE      MET  26   1.671   7.436  -3.656
  207    HE3  MET  26           2HE      MET  26   1.749   6.504  -2.162
  208    H    GLY  27           H        GLY  27   5.194   2.148  -0.418
  209    HA2  GLY  27           2HA      GLY  27   7.000   1.843  -2.717
  210    HA3  GLY  27           1HA      GLY  27   7.641   1.742  -1.089
  211    H    MET  28           H        MET  28   7.730  -0.311  -3.088
  212    HA   MET  28           HA       MET  28   6.043  -2.337  -1.779
  213    HB2  MET  28           2HB      MET  28   5.265  -1.779  -4.040
  214    HB3  MET  28           1HB      MET  28   6.848  -2.175  -4.688
  215    HG2  MET  28           2HG      MET  28   6.561  -4.494  -3.980
  216    HG3  MET  28           1HG      MET  28   4.966  -4.099  -3.341
  217    HE1  MET  28           3HE      MET  28   4.166  -6.238  -6.547
  218    HE2  MET  28           1HE      MET  28   3.891  -6.071  -4.812
  219    HE3  MET  28           2HE      MET  28   5.502  -6.458  -5.417
  220    H    GLU  29           H        GLU  29   6.945  -4.214  -1.222
  221    HA   GLU  29           HA       GLU  29   9.679  -4.838  -2.125
  222    HB2  GLU  29           2HB      GLU  29   8.502  -5.047   0.653
  223    HB3  GLU  29           1HB      GLU  29   9.816  -6.101   0.151
  224    HG2  GLU  29           2HG      GLU  29  11.289  -4.294  -0.163
  225    HG3  GLU  29           1HG      GLU  29   9.985  -3.113  -0.045
  226    H    ASN  30           H        ASN  30  10.041  -7.137  -2.429
  227    HA   ASN  30           HA       ASN  30   7.538  -8.568  -2.921
  228    HB2  ASN  30           2HB      ASN  30   8.931 -10.242  -4.087
  229    HB3  ASN  30           1HB      ASN  30   9.152  -8.623  -4.737
  230   HD21  ASN  30          1HD2      ASN  30  11.120  -9.411  -5.627
  231   HD22  ASN  30          2HD2      ASN  30  12.539  -9.548  -4.640
  232    H    LYS  31           H        LYS  31   7.541 -10.985  -2.373
  233    HA   LYS  31           HA       LYS  31   7.726 -11.497   0.289
  234    HB2  LYS  31           2HB      LYS  31   7.704 -13.891  -0.266
  235    HB3  LYS  31           1HB      LYS  31   6.538 -12.958  -1.184
  236    HG2  LYS  31           2HG      LYS  31   8.035 -13.007  -3.118
  237    HG3  LYS  31           1HG      LYS  31   9.179 -13.977  -2.187
  238    HD2  LYS  31           2HD      LYS  31   7.508 -15.727  -1.922
  239    HD3  LYS  31           1HD      LYS  31   6.331 -14.755  -2.805
  240    HE2  LYS  31           2HE      LYS  31   7.687 -14.876  -4.807
  241    HE3  LYS  31           1HE      LYS  31   8.948 -15.742  -3.932
  242    HZ1  LYS  31           3HZ      LYS  31   6.194 -16.733  -4.467
  243    HZ2  LYS  31           1HZ      LYS  31   7.375 -17.562  -3.573
  244    HZ3  LYS  31           2HZ      LYS  31   7.619 -17.264  -5.221
  245    H    PHE  32           H        PHE  32  10.454 -11.173  -1.753
  246    HA   PHE  32           HA       PHE  32  12.137 -12.785   0.011
  247    HB2  PHE  32           2HB      PHE  32  12.815 -11.348  -2.565
  248    HB3  PHE  32           1HB      PHE  32  13.924 -12.352  -1.638
  249    HD1  PHE  32           1HD      PHE  32  13.336 -14.796  -1.322
  250    HD2  PHE  32           2HD      PHE  32  11.412 -12.286  -4.166
  251    HE1  PHE  32           1HE      PHE  32  12.580 -16.785  -2.557
  252    HE2  PHE  32           2HE      PHE  32  10.648 -14.269  -5.404
  253    HZ   PHE  32           HZ       PHE  32  11.233 -16.521  -4.601
  254    H    GLY  33           H        GLY  33  10.972  -9.665  -0.102
  255    HA2  GLY  33           2HA      GLY  33  11.468  -8.022   1.461
  256    HA3  GLY  33           1HA      GLY  33  12.974  -8.848   1.828
  257    H    LYS  34           H        LYS  34  12.185  -8.250  -1.457
  258    HA   LYS  34           HA       LYS  34  14.386  -6.307  -1.558
  259    HB2  LYS  34           2HB      LYS  34  13.148  -7.680  -3.932
  260    HB3  LYS  34           1HB      LYS  34  14.730  -6.913  -3.813
  261    HG2  LYS  34           2HG      LYS  34  13.969  -9.249  -2.156
  262    HG3  LYS  34           1HG      LYS  34  14.659  -9.454  -3.766
  263    HD2  LYS  34           2HD      LYS  34  16.661  -8.261  -3.049
  264    HD3  LYS  34           1HD      LYS  34  15.945  -7.988  -1.456
  265    HE2  LYS  34           2HE      LYS  34  15.829 -10.417  -1.111
  266    HE3  LYS  34           1HE      LYS  34  16.582 -10.669  -2.682
  267    HZ1  LYS  34           3HZ      LYS  34  17.816  -9.301  -0.351
  268    HZ2  LYS  34           1HZ      LYS  34  18.548  -9.497  -1.872
  269    HZ3  LYS  34           2HZ      LYS  34  18.196 -10.855  -0.917
  270    H    SER  35           H        SER  35  14.175  -4.403  -2.237
  271    HA   SER  35           HA       SER  35  11.567  -3.232  -2.273
  272    HB2  SER  35           2HB      SER  35  12.857  -1.085  -2.514
  273    HB3  SER  35           1HB      SER  35  13.283  -2.059  -1.108
  274    HG   SER  35           HG       SER  35  15.068  -1.165  -2.439
  275    H    MET  36           H        MET  36  10.357  -2.663  -3.933
  276    HA   MET  36           HA       MET  36  11.592  -2.314  -6.577
  277    HB2  MET  36           2HB      MET  36   9.077  -3.919  -6.059
  278    HB3  MET  36           1HB      MET  36   9.759  -3.561  -7.637
  279    HG2  MET  36           2HG      MET  36  11.747  -4.869  -7.072
  280    HG3  MET  36           1HG      MET  36  11.050  -5.233  -5.494
  281    HE1  MET  36           3HE      MET  36   7.860  -7.301  -6.546
  282    HE2  MET  36           1HE      MET  36   7.952  -5.550  -6.364
  283    HE3  MET  36           2HE      MET  36   8.753  -6.601  -5.196
  284    H    ASN  37           H        ASN  37  10.152  -1.142  -8.082
  285    HA   ASN  37           HA       ASN  37   8.562   0.849  -6.671
  286    HB2  ASN  37           2HB      ASN  37   8.435   1.954  -8.943
  287    HB3  ASN  37           1HB      ASN  37  10.052   1.820  -8.263
  288   HD21  ASN  37          1HD2      ASN  37  11.576   0.635  -9.298
  289   HD22  ASN  37          2HD2      ASN  37  11.320  -0.129 -10.837
  290    H    MET  38           H        MET  38   6.431   1.447  -7.507
  291    HA   MET  38           HA       MET  38   4.935  -1.010  -8.036
  292    HB2  MET  38           2HB      MET  38   4.428   0.236  -5.964
  293    HB3  MET  38           1HB      MET  38   3.987   1.636  -6.931
  294    HG2  MET  38           2HG      MET  38   2.146   0.404  -7.921
  295    HG3  MET  38           1HG      MET  38   2.608  -1.038  -7.018
  296    HE1  MET  38           3HE      MET  38   2.616  -1.087  -4.298
  297    HE2  MET  38           1HE      MET  38   2.060   0.269  -3.317
  298    HE3  MET  38           2HE      MET  38   3.527   0.424  -4.285
  299    HA   PRO  39           HA       PRO  39   3.839   0.607 -12.043
  300    HB2  PRO  39           2HB      PRO  39   2.198  -1.435 -12.745
  301    HB3  PRO  39           1HB      PRO  39   3.960  -1.545 -12.815
  302    HG2  PRO  39           2HG      PRO  39   2.076  -2.587 -10.745
  303    HG3  PRO  39           1HG      PRO  39   3.530  -3.343 -11.418
  304    HD2  PRO  39           2HD      PRO  39   3.463  -2.086  -8.993
  305    HD3  PRO  39           1HD      PRO  39   4.923  -2.220  -9.993
  306    H    GLU  40           H        GLU  40   2.456   2.219 -12.169
  307    HA   GLU  40           HA       GLU  40   0.186   2.485 -10.493
  308    HB2  GLU  40           2HB      GLU  40   1.458   4.416 -11.292
  309    HB3  GLU  40           1HB      GLU  40   1.001   4.049 -12.949
  310    HG2  GLU  40           2HG      GLU  40  -1.300   4.540 -12.476
  311    HG3  GLU  40           1HG      GLU  40  -0.943   4.748 -10.764
  312    H    GLY  41           H        GLY  41  -1.936   2.102 -10.853
  313    HA2  GLY  41           2HA      GLY  41  -3.814   1.984 -12.355
  314    HA3  GLY  41           1HA      GLY  41  -2.745   1.302 -13.568
  315    H    LYS  42           H        LYS  42  -1.786  -0.298 -10.935
  316    HA   LYS  42           HA       LYS  42  -3.628  -2.502 -11.551
  317    HB2  LYS  42           2HB      LYS  42  -0.860  -2.568 -10.363
  318    HB3  LYS  42           1HB      LYS  42  -1.877  -3.970 -10.644
  319    HG2  LYS  42           2HG      LYS  42  -0.879  -2.116 -12.782
  320    HG3  LYS  42           1HG      LYS  42  -0.190  -3.697 -12.386
  321    HD2  LYS  42           2HD      LYS  42  -3.042  -3.234 -13.205
  322    HD3  LYS  42           1HD      LYS  42  -1.769  -3.738 -14.317
  323    HE2  LYS  42           2HE      LYS  42  -2.744  -5.246 -11.892
  324    HE3  LYS  42           1HE      LYS  42  -3.108  -5.639 -13.571
  325    HZ1  LYS  42           3HZ      LYS  42  -0.718  -5.995 -13.930
  326    HZ2  LYS  42           1HZ      LYS  42  -1.361  -7.044 -12.761
  327    HZ3  LYS  42           2HZ      LYS  42  -0.432  -5.710 -12.283
  328    H    VAL  43           H        VAL  43  -4.964  -3.290 -10.085
  329    HA   VAL  43           HA       VAL  43  -4.730  -2.355  -7.334
  330    HB   VAL  43           HB       VAL  43  -6.933  -2.130  -8.377
  331   HG11  VAL  43          1HG1      VAL  43  -6.920  -5.134  -8.578
  332   HG12  VAL  43          2HG1      VAL  43  -6.868  -3.995  -9.927
  333   HG13  VAL  43          3HG1      VAL  43  -8.299  -4.082  -8.898
  334   HG21  VAL  43          3HG2      VAL  43  -6.780  -2.474  -5.955
  335   HG22  VAL  43          1HG2      VAL  43  -6.940  -4.213  -6.199
  336   HG23  VAL  43          2HG2      VAL  43  -8.273  -3.135  -6.621
  337    H    MET  44           H        MET  44  -4.215  -3.568  -5.672
  338    HA   MET  44           HA       MET  44  -3.711  -6.435  -6.138
  339    HB2  MET  44           2HB      MET  44  -2.007  -4.472  -4.578
  340    HB3  MET  44           1HB      MET  44  -1.739  -6.210  -4.642
  341    HG2  MET  44           2HG      MET  44  -1.227  -6.116  -6.976
  342    HG3  MET  44           1HG      MET  44  -1.717  -4.425  -7.066
  343    HE1  MET  44           3HE      MET  44  -0.357  -2.424  -6.065
  344    HE2  MET  44           1HE      MET  44   1.090  -2.611  -5.072
  345    HE3  MET  44           2HE      MET  44  -0.473  -3.159  -4.466
  346    H    GLU  45           H        GLU  45  -3.943  -7.773  -4.273
  347    HA   GLU  45           HA       GLU  45  -5.636  -6.557  -2.216
  348    HB2  GLU  45           2HB      GLU  45  -5.632  -9.206  -3.531
  349    HB3  GLU  45           1HB      GLU  45  -6.055  -9.172  -1.822
  350    HG2  GLU  45           2HG      GLU  45  -7.844  -7.662  -2.213
  351    HG3  GLU  45           1HG      GLU  45  -7.363  -7.439  -3.900
  352    H    THR  46           H        THR  46  -5.571  -7.754  -0.135
  353    HA   THR  46           HA       THR  46  -2.764  -8.153   0.663
  354    HB   THR  46           HB       THR  46  -3.248  -6.876   2.730
  355    HG1  THR  46           1HG      THR  46  -5.538  -5.894   1.385
  356   HG21  THR  46          3HG2      THR  46  -3.720  -5.348   0.167
  357   HG22  THR  46          1HG2      THR  46  -2.141  -5.801   0.812
  358   HG23  THR  46          2HG2      THR  46  -3.163  -4.664   1.694
  359    H    ARG  47           H        ARG  47  -2.484  -9.142   2.781
  360    HA   ARG  47           HA       ARG  47  -3.868 -11.527   3.132
  361    HB2  ARG  47           2HB      ARG  47  -2.047  -9.931   4.907
  362    HB3  ARG  47           1HB      ARG  47  -2.785 -11.421   5.478
  363    HG2  ARG  47           2HG      ARG  47  -1.735 -12.677   3.725
  364    HG3  ARG  47           1HG      ARG  47  -1.124 -11.198   2.986
  365    HD2  ARG  47           2HD      ARG  47   0.653 -12.284   4.182
  366    HD3  ARG  47           1HD      ARG  47   0.225 -10.782   4.998
  367    HE   ARG  47           HE       ARG  47  -1.090 -13.121   6.056
  368   HH11  ARG  47          1HH1      ARG  47   1.769 -11.068   6.198
  369   HH12  ARG  47          2HH1      ARG  47   2.208 -11.599   7.795
  370   HH21  ARG  47          1HH2      ARG  47  -0.499 -13.782   8.177
  371   HH22  ARG  47          2HH2      ARG  47   0.924 -13.116   8.914
  372    H    ASP  48           H        ASP  48  -4.573  -8.319   4.314
  373    HA   ASP  48           HA       ASP  48  -6.318  -9.387   6.406
  374    HB2  ASP  48           2HB      ASP  48  -6.373  -7.156   7.328
  375    HB3  ASP  48           1HB      ASP  48  -4.704  -7.616   7.013
  376    H    GLY  49           H        GLY  49  -6.520  -8.334   3.229
  377    HA2  GLY  49           2HA      GLY  49  -8.564  -8.797   2.068
  378    HA3  GLY  49           1HA      GLY  49  -9.445  -8.376   3.528
  379    H    THR  50           H        THR  50  -6.897  -6.233   2.735
  380    HA   THR  50           HA       THR  50  -8.833  -4.220   1.926
  381    HB   THR  50           HB       THR  50  -5.897  -4.042   2.657
  382    HG1  THR  50           1HG      THR  50  -6.895  -4.288   4.555
  383   HG21  THR  50          3HG2      THR  50  -7.877  -1.829   2.107
  384   HG22  THR  50          1HG2      THR  50  -6.497  -2.264   1.097
  385   HG23  THR  50          2HG2      THR  50  -6.237  -1.614   2.717
  386    H    LYS  51           H        LYS  51  -8.800  -3.264  -0.069
  387    HA   LYS  51           HA       LYS  51  -7.011  -4.450  -2.080
  388    HB2  LYS  51           2HB      LYS  51  -9.645  -3.013  -2.507
  389    HB3  LYS  51           1HB      LYS  51  -8.678  -3.806  -3.745
  390    HG2  LYS  51           2HG      LYS  51  -9.104  -5.961  -2.786
  391    HG3  LYS  51           1HG      LYS  51  -9.916  -5.231  -1.398
  392    HD2  LYS  51           2HD      LYS  51 -11.622  -4.311  -2.934
  393    HD3  LYS  51           1HD      LYS  51 -10.830  -5.140  -4.272
  394    HE2  LYS  51           2HE      LYS  51 -11.966  -6.501  -1.837
  395    HE3  LYS  51           1HE      LYS  51 -12.802  -6.345  -3.379
  396    HZ1  LYS  51           3HZ      LYS  51 -10.976  -7.591  -4.420
  397    HZ2  LYS  51           1HZ      LYS  51 -11.769  -8.495  -3.222
  398    HZ3  LYS  51           2HZ      LYS  51 -10.259  -7.807  -2.900
  399    H    ILE  52           H        ILE  52  -5.620  -3.157  -3.171
  400    HA   ILE  52           HA       ILE  52  -5.805  -0.252  -2.763
  401    HB   ILE  52           HB       ILE  52  -3.294  -0.254  -2.419
  402   HG12  ILE  52          2HG1      ILE  52  -3.802  -3.173  -1.805
  403   HG13  ILE  52          1HG1      ILE  52  -2.922  -2.573  -3.206
  404   HG21  ILE  52          1HG2      ILE  52  -4.825   0.206  -0.600
  405   HG22  ILE  52          2HG2      ILE  52  -3.465  -0.747  -0.016
  406   HG23  ILE  52          3HG2      ILE  52  -5.025  -1.518  -0.299
  407   HD11  ILE  52          3HD1      ILE  52  -1.389  -3.354  -1.521
  408   HD12  ILE  52          1HD1      ILE  52  -2.108  -2.273  -0.326
  409   HD13  ILE  52          2HD1      ILE  52  -1.238  -1.607  -1.709
  410    H    ILE  53           H        ILE  53  -4.711   1.029  -4.278
  411    HA   ILE  53           HA       ILE  53  -3.130  -0.123  -6.355
  412    HB   ILE  53           HB       ILE  53  -4.962  -0.736  -7.604
  413   HG12  ILE  53          2HG1      ILE  53  -3.476   1.195  -8.698
  414   HG13  ILE  53          1HG1      ILE  53  -4.796   0.412  -9.551
  415   HG21  ILE  53          1HG2      ILE  53  -6.399   1.758  -6.764
  416   HG22  ILE  53          2HG2      ILE  53  -6.695   0.115  -6.190
  417   HG23  ILE  53          3HG2      ILE  53  -7.028   0.537  -7.872
  418   HD11  ILE  53          3HD1      ILE  53  -4.850   2.814  -9.863
  419   HD12  ILE  53          1HD1      ILE  53  -4.934   3.059  -8.117
  420   HD13  ILE  53          2HD1      ILE  53  -6.269   2.274  -8.964
  421    H    MET  54           H        MET  54  -2.078   1.442  -7.667
  422    HA   MET  54           HA       MET  54  -1.986   4.094  -6.375
  423    HB2  MET  54           2HB      MET  54   0.127   2.884  -6.237
  424    HB3  MET  54           1HB      MET  54   0.094   2.558  -7.962
  425    HG2  MET  54           2HG      MET  54   0.295   4.975  -8.394
  426    HG3  MET  54           1HG      MET  54   0.419   5.248  -6.656
  427    HE1  MET  54           3HE      MET  54   4.076   5.869  -7.965
  428    HE2  MET  54           1HE      MET  54   2.712   6.561  -7.090
  429    HE3  MET  54           2HE      MET  54   2.579   6.241  -8.820
  430    H    LYS  55           H        LYS  55  -2.785   5.730  -7.520
  431    HA   LYS  55           HA       LYS  55  -2.506   5.736 -10.425
  432    HB2  LYS  55           2HB      LYS  55  -4.716   4.711  -9.983
  433    HB3  LYS  55           1HB      LYS  55  -5.178   6.131  -9.057
  434    HG2  LYS  55           2HG      LYS  55  -6.140   6.205 -11.272
  435    HG3  LYS  55           1HG      LYS  55  -4.967   7.507 -11.068
  436    HD2  LYS  55           2HD      LYS  55  -3.295   6.199 -12.271
  437    HD3  LYS  55           1HD      LYS  55  -4.454   4.881 -12.467
  438    HE2  LYS  55           2HE      LYS  55  -4.872   7.681 -13.499
  439    HE3  LYS  55           1HE      LYS  55  -4.222   6.362 -14.468
  440    HZ1  LYS  55           3HZ      LYS  55  -6.242   5.206 -14.358
  441    HZ2  LYS  55           1HZ      LYS  55  -6.678   6.813 -14.679
  442    HZ3  LYS  55           2HZ      LYS  55  -6.854   6.182 -13.113
  443    H    GLY  56           H        GLY  56  -1.936   7.710 -11.128
  444    HA2  GLY  56           2HA      GLY  56  -1.384   9.933 -11.082
  445    HA3  GLY  56           1HA      GLY  56  -2.757  10.165 -10.007
  446    H    ASN  57           H        ASN  57   0.190   8.260  -9.619
  447    HA   ASN  57           HA       ASN  57   1.564   7.952  -7.852
  448    HB2  ASN  57           2HB      ASN  57   2.860   9.848  -7.111
  449    HB3  ASN  57           1HB      ASN  57   2.584   9.971  -8.840
  450   HD21  ASN  57          1HD2      ASN  57   1.516  11.172  -5.708
  451   HD22  ASN  57          2HD2      ASN  57   0.990  12.720  -6.278
  452    H    GLU  58           H        GLU  58  -1.306   8.254  -7.266
  453    HA   GLU  58           HA       GLU  58  -1.133   8.878  -4.394
  454    HB2  GLU  58           2HB      GLU  58  -3.392   9.199  -6.332
  455    HB3  GLU  58           1HB      GLU  58  -3.660   9.127  -4.595
  456    HG2  GLU  58           2HG      GLU  58  -1.905  11.126  -6.008
  457    HG3  GLU  58           1HG      GLU  58  -3.530  11.422  -5.411
  458    H    ILE  59           H        ILE  59  -2.253   7.521  -2.966
  459    HA   ILE  59           HA       ILE  59  -2.510   4.817  -4.011
  460    HB   ILE  59           HB       ILE  59  -1.516   5.926  -1.528
  461   HG12  ILE  59          2HG1      ILE  59  -0.251   4.490  -3.057
  462   HG13  ILE  59          1HG1      ILE  59  -0.336   3.792  -1.446
  463   HG21  ILE  59          1HG2      ILE  59  -2.333   4.160  -0.029
  464   HG22  ILE  59          2HG2      ILE  59  -3.439   3.616  -1.289
  465   HG23  ILE  59          3HG2      ILE  59  -3.630   5.219  -0.580
  466   HD11  ILE  59          3HD1      ILE  59  -1.980   2.971  -3.830
  467   HD12  ILE  59          1HD1      ILE  59  -2.107   2.278  -2.212
  468   HD13  ILE  59          2HD1      ILE  59  -0.618   2.087  -3.139
  469    H    PHE  60           H        PHE  60  -4.414   4.113  -4.499
  470    HA   PHE  60           HA       PHE  60  -6.809   4.869  -3.077
  471    HB2  PHE  60           2HB      PHE  60  -7.315   4.297  -5.256
  472    HB3  PHE  60           1HB      PHE  60  -6.029   3.114  -5.360
  473    HD1  PHE  60           1HD      PHE  60  -6.483   0.907  -3.906
  474    HD2  PHE  60           2HD      PHE  60  -9.474   3.575  -5.304
  475    HE1  PHE  60           1HE      PHE  60  -8.198  -0.840  -3.602
  476    HE2  PHE  60           2HE      PHE  60 -11.177   1.857  -5.013
  477    HZ   PHE  60           HZ       PHE  60 -10.383  -0.559  -4.526
  478    H    ARG  61           H        ARG  61  -6.923   4.256  -1.044
  479    HA   ARG  61           HA       ARG  61  -6.386   1.424  -0.463
  480    HB2  ARG  61           2HB      ARG  61  -5.051   3.166   0.906
  481    HB3  ARG  61           1HB      ARG  61  -6.590   3.611   1.632
  482    HG2  ARG  61           2HG      ARG  61  -6.708   1.000   2.068
  483    HG3  ARG  61           1HG      ARG  61  -4.954   1.166   1.989
  484    HD2  ARG  61           2HD      ARG  61  -6.836   2.627   3.836
  485    HD3  ARG  61           1HD      ARG  61  -5.696   1.363   4.279
  486    HE   ARG  61           HE       ARG  61  -4.607   3.814   3.108
  487   HH11  ARG  61          1HH1      ARG  61  -5.129   1.805   5.927
  488   HH12  ARG  61          2HH1      ARG  61  -4.058   2.715   6.952
  489   HH21  ARG  61          1HH2      ARG  61  -3.187   5.036   4.459
  490   HH22  ARG  61          2HH2      ARG  61  -2.979   4.567   6.122
  491    H    LEU  62           H        LEU  62  -8.255   0.427  -0.538
  492    HA   LEU  62           HA       LEU  62 -10.556   0.090  -0.779
  493    HB2  LEU  62           2HB      LEU  62 -10.282   1.931   1.517
  494    HB3  LEU  62           1HB      LEU  62 -11.871   1.832   0.796
  495    HG   LEU  62           HG       LEU  62 -11.595   0.386   2.736
  496   HD11  LEU  62          1HD1      LEU  62 -12.536  -1.636   1.688
  497   HD12  LEU  62          2HD1      LEU  62 -11.992  -1.058   0.112
  498   HD13  LEU  62          3HD1      LEU  62 -13.221  -0.162   1.002
  499   HD21  LEU  62          3HD2      LEU  62  -9.581  -1.067   1.024
  500   HD22  LEU  62          1HD2      LEU  62 -10.226  -1.649   2.557
  501   HD23  LEU  62          2HD2      LEU  62  -9.247  -0.183   2.513
  502    H    ASP  63           H        ASP  63  -9.428   3.368  -0.911
  503    HA   ASP  63           HA       ASP  63  -9.934   5.183  -2.163
  504    HB2  ASP  63           2HB      ASP  63 -10.625   3.828  -4.051
  505    HB3  ASP  63           1HB      ASP  63 -12.174   3.520  -3.289
  506    H    GLU  64           H        GLU  64 -12.616   3.451  -0.793
  507    HA   GLU  64           HA       GLU  64 -14.099   5.750   0.005
  508    HB2  GLU  64           2HB      GLU  64 -15.047   3.456  -0.378
  509    HB3  GLU  64           1HB      GLU  64 -14.261   2.942   1.106
  510    HG2  GLU  64           2HG      GLU  64 -15.558   4.767   2.269
  511    HG3  GLU  64           1HG      GLU  64 -16.491   4.919   0.781
  512    H    ALA  65           H        ALA  65 -11.597   3.782   1.455
  513    HA   ALA  65           HA       ALA  65 -11.969   4.318   4.160
  514    HB1  ALA  65           1HB      ALA  65 -10.368   2.656   3.129
  515    HB2  ALA  65           2HB      ALA  65  -9.747   3.567   4.515
  516    HB3  ALA  65           3HB      ALA  65  -9.258   4.014   2.881
  517    H    LEU  66           H        LEU  66 -10.208   6.138   1.725
  518    HA   LEU  66           HA       LEU  66  -9.034   8.044   3.414
  519    HB2  LEU  66           2HB      LEU  66  -9.805   8.141   0.507
  520    HB3  LEU  66           1HB      LEU  66  -8.961   9.451   1.307
  521    HG   LEU  66           HG       LEU  66  -7.381   8.128   0.091
  522   HD11  LEU  66          1HD1      LEU  66  -5.847   7.462   1.884
  523   HD12  LEU  66          2HD1      LEU  66  -7.169   7.605   3.042
  524   HD13  LEU  66          3HD1      LEU  66  -6.592   9.032   2.182
  525   HD21  LEU  66          3HD2      LEU  66  -8.580   6.047  -0.081
  526   HD22  LEU  66          1HD2      LEU  66  -8.388   5.765   1.648
  527   HD23  LEU  66          2HD2      LEU  66  -6.975   5.766   0.592
  528    H    ARG  67           H        ARG  67 -12.279   7.831   2.121
  529    HA   ARG  67           HA       ARG  67 -12.788  10.655   2.499
  530    HB2  ARG  67           2HB      ARG  67 -15.109   8.900   2.151
  531    HB3  ARG  67           1HB      ARG  67 -14.700  10.386   1.326
  532    HG2  ARG  67           2HG      ARG  67 -13.749   7.611   0.736
  533    HG3  ARG  67           1HG      ARG  67 -14.773   8.650  -0.250
  534    HD2  ARG  67           2HD      ARG  67 -11.896   9.181   0.420
  535    HD3  ARG  67           1HD      ARG  67 -12.485   8.562  -1.119
  536    HE   ARG  67           HE       ARG  67 -13.715  10.753  -1.285
  537   HH11  ARG  67          1HH1      ARG  67 -10.788  10.411   0.596
  538   HH12  ARG  67          2HH1      ARG  67 -10.302  12.067   0.400
  539   HH21  ARG  67          1HH2      ARG  67 -13.050  12.942  -1.589
  540   HH22  ARG  67          2HH2      ARG  67 -11.579  13.490  -0.840
  541    H    LYS  68           H        LYS  68 -13.562   7.593   3.955
  542    HA   LYS  68           HA       LYS  68 -15.461   8.621   5.813
  543    HB2  LYS  68           2HB      LYS  68 -14.036   5.957   5.739
  544    HB3  LYS  68           1HB      LYS  68 -15.465   6.338   6.695
  545    HG2  LYS  68           2HG      LYS  68 -15.320   6.392   3.678
  546    HG3  LYS  68           1HG      LYS  68 -16.012   5.081   4.653
  547    HD2  LYS  68           2HD      LYS  68 -17.596   6.760   5.633
  548    HD3  LYS  68           1HD      LYS  68 -16.978   7.934   4.470
  549    HE2  LYS  68           2HE      LYS  68 -18.998   7.001   3.592
  550    HE3  LYS  68           1HE      LYS  68 -17.649   6.385   2.643
  551    HZ1  LYS  68           3HZ      LYS  68 -18.906   4.890   4.880
  552    HZ2  LYS  68           1HZ      LYS  68 -17.771   4.302   3.762
  553    HZ3  LYS  68           2HZ      LYS  68 -19.340   4.693   3.251
  554    H    GLY  69           H        GLY  69 -14.980   9.746   7.549
  555    HA2  GLY  69           2HA      GLY  69 -12.342   9.989   8.578
  556    HA3  GLY  69           1HA      GLY  69 -13.804  10.617   9.322
  557    H    HIS  70           H        HIS  70 -11.608   7.925   9.126
  558    HA   HIS  70           HA       HIS  70 -13.032   6.287  10.987
  559    HB2  HIS  70           2HB      HIS  70 -10.242   6.138   9.860
  560    HB3  HIS  70           1HB      HIS  70 -10.811   5.017  11.090
  561    HD1  HIS  70           1HD      HIS  70 -12.655   3.311  10.385
  562    HD2  HIS  70           2HD      HIS  70 -11.238   5.698   7.287
  563    HE1  HIS  70           1HE      HIS  70 -13.483   2.239   8.274
  564    HE2  HIS  70           2HE      HIS  70 -12.482   3.596   6.410
  565    H    SER  71           H        SER  71 -13.411   7.859  12.547
  566    HA   SER  71           HA       SER  71 -11.669   7.638  14.781
  567    HB2  SER  71           2HB      SER  71 -10.582   9.554  13.632
  568    HB3  SER  71           1HB      SER  71 -12.124  10.404  13.612
  569    HG   SER  71           HG       SER  71 -11.675   9.672  16.120
  570    H    GLU  72           H        GLU  72 -14.145   9.783  13.476
  571    HA   GLU  72           HA       GLU  72 -15.898   9.455  15.730
  572    HB2  GLU  72           2HB      GLU  72 -16.457  10.595  12.978
  573    HB3  GLU  72           1HB      GLU  72 -17.474  10.784  14.401
  574    HG2  GLU  72           2HG      GLU  72 -15.826  12.116  15.493
  575    HG3  GLU  72           1HG      GLU  72 -14.647  11.787  14.224
  576    H    GLY  73           H        GLY  73 -15.884   8.452  12.330
  577    HA2  GLY  73           2HA      GLY  73 -17.692   6.235  13.023
  578    HA3  GLY  73           1HA      GLY  73 -17.442   6.872  11.400
  579    H    GLY  74           H        GLY  74 -15.491   5.548  14.055
  580    HA2  GLY  74           2HA      GLY  74 -14.029   3.953  12.046
  581    HA3  GLY  74           1HA      GLY  74 -13.234   4.714  13.417
  Start of MODEL   11
    1    H1   VAL   1           1HT      VAL   1  11.641  -3.367   4.022
    2    H2   VAL   1           2HT      VAL   1  11.057  -3.337   5.616
    3    H3   VAL   1           3HT      VAL   1  12.725  -3.247   5.328
    4    HA   VAL   1           HA       VAL   1  12.496  -1.111   4.298
    5    HB   VAL   1           HB       VAL   1  10.143  -1.643   3.450
    6   HG11  VAL   1          2HG1      VAL   1   8.270  -0.914   4.839
    7   HG12  VAL   1          3HG1      VAL   1   9.374  -0.633   6.187
    8   HG13  VAL   1          1HG1      VAL   1   9.129  -2.270   5.570
    9   HG21  VAL   1          1HG2      VAL   1   9.451   0.706   3.434
   10   HG22  VAL   1          2HG2      VAL   1  11.171   0.520   3.092
   11   HG23  VAL   1          3HG2      VAL   1  10.643   1.056   4.686
   12    H    ASP   2           H        ASP   2  12.673   0.772   5.603
   13    HA   ASP   2           HA       ASP   2  12.470   0.348   8.455
   14    HB2  ASP   2           2HB      ASP   2  13.410   2.621   6.729
   15    HB3  ASP   2           1HB      ASP   2  13.097   2.880   8.443
   16    H    MET   3           H        MET   3  10.623   0.498   9.468
   17    HA   MET   3           HA       MET   3   8.342   1.631   8.077
   18    HB2  MET   3           2HB      MET   3   8.440   0.171  10.717
   19    HB3  MET   3           1HB      MET   3   7.021   0.484   9.735
   20    HG2  MET   3           2HG      MET   3   8.164  -0.877   7.915
   21    HG3  MET   3           1HG      MET   3   9.296  -1.378   9.167
   22    HE1  MET   3           3HE      MET   3   5.614  -1.425   7.917
   23    HE2  MET   3           1HE      MET   3   5.463  -0.647   9.493
   24    HE3  MET   3           2HE      MET   3   4.778  -2.253   9.233
   25    H    SER   4           H        SER   4  10.479   3.254   9.503
   26    HA   SER   4           HA       SER   4   9.164   4.474  11.744
   27    HB2  SER   4           2HB      SER   4  11.609   5.454  10.253
   28    HB3  SER   4           1HB      SER   4  11.142   5.825  11.916
   29    HG   SER   4           HG       SER   4  11.749   3.856  12.563
   30    H    ASN   5           H        ASN   5   9.466   5.034   8.344
   31    HA   ASN   5           HA       ASN   5   8.136   7.635   8.619
   32    HB2  ASN   5           2HB      ASN   5   8.834   7.952   6.205
   33    HB3  ASN   5           1HB      ASN   5  10.142   7.928   7.377
   34   HD21  ASN   5          1HD2      ASN   5   8.495   5.006   6.376
   35   HD22  ASN   5          2HD2      ASN   5   9.822   4.346   5.483
   36    H    VAL   6           H        VAL   6   7.243   4.669   8.422
   37    HA   VAL   6           HA       VAL   6   5.371   4.961   6.189
   38    HB   VAL   6           HB       VAL   6   6.155   2.529   7.795
   39   HG11  VAL   6          1HG1      VAL   6   4.874   1.259   6.151
   40   HG12  VAL   6          2HG1      VAL   6   4.376   2.766   5.379
   41   HG13  VAL   6          3HG1      VAL   6   3.844   2.397   7.020
   42   HG21  VAL   6          3HG2      VAL   6   7.928   3.293   6.315
   43   HG22  VAL   6          1HG2      VAL   6   6.798   3.320   4.960
   44   HG23  VAL   6          2HG2      VAL   6   7.225   1.788   5.723
   45    H    VAL   7           H        VAL   7   3.271   5.364   6.544
   46    HA   VAL   7           HA       VAL   7   2.319   5.455   9.293
   47    HB   VAL   7           HB       VAL   7   0.227   6.406   8.361
   48   HG11  VAL   7          1HG1      VAL   7   1.210   8.551   7.654
   49   HG12  VAL   7          2HG1      VAL   7   2.782   7.762   7.520
   50   HG13  VAL   7          3HG1      VAL   7   1.988   7.883   9.090
   51   HG21  VAL   7          3HG2      VAL   7   1.670   6.377   5.713
   52   HG22  VAL   7          1HG2      VAL   7   0.066   7.041   6.041
   53   HG23  VAL   7          2HG2      VAL   7   0.333   5.301   6.144
   54    H    LYS   8           H        LYS   8   2.075   3.408   6.541
   55    HA   LYS   8           HA       LYS   8   0.878   1.350   8.088
   56    HB2  LYS   8           2HB      LYS   8  -1.131   2.715   7.549
   57    HB3  LYS   8           1HB      LYS   8  -0.809   2.465   5.838
   58    HG2  LYS   8           2HG      LYS   8  -2.524   0.947   6.548
   59    HG3  LYS   8           1HG      LYS   8  -1.059   0.027   6.197
   60    HD2  LYS   8           2HD      LYS   8  -0.573  -0.251   8.498
   61    HD3  LYS   8           1HD      LYS   8  -1.795   0.929   8.971
   62    HE2  LYS   8           2HE      LYS   8  -2.345  -1.724   7.645
   63    HE3  LYS   8           1HE      LYS   8  -2.515  -1.396   9.368
   64    HZ1  LYS   8           3HZ      LYS   8  -4.129  -0.321   7.130
   65    HZ2  LYS   8           1HZ      LYS   8  -4.116   0.418   8.659
   66    HZ3  LYS   8           2HZ      LYS   8  -4.651  -1.185   8.495
   67    H    THR   9           H        THR   9   1.282  -0.588   7.251
   68    HA   THR   9           HA       THR   9   2.322  -0.706   4.512
   69    HB   THR   9           HB       THR   9   3.382  -1.967   7.010
   70    HG1  THR   9           1HG      THR   9   4.239   0.009   6.158
   71   HG21  THR   9          3HG2      THR   9   3.073  -3.829   5.438
   72   HG22  THR   9          1HG2      THR   9   4.781  -3.467   5.693
   73   HG23  THR   9          2HG2      THR   9   3.975  -2.932   4.218
   74    H    TYR  10           H        TYR  10   1.759  -2.477   3.298
   75    HA   TYR  10           HA       TYR  10  -0.377  -4.142   4.401
   76    HB2  TYR  10           2HB      TYR  10  -0.331  -2.638   1.810
   77    HB3  TYR  10           1HB      TYR  10  -1.363  -4.058   2.042
   78    HD1  TYR  10           2HD      TYR  10  -2.694  -4.079   4.269
   79    HD2  TYR  10           1HD      TYR  10  -1.199  -0.574   2.405
   80    HE1  TYR  10           2HE      TYR  10  -4.283  -2.751   5.552
   81    HE2  TYR  10           1HE      TYR  10  -2.794   0.797   3.699
   82    HH   TYR  10           HH       TYR  10  -4.962   0.495   4.874
   83    H    ASP  11           H        ASP  11  -0.324  -6.096   4.138
   84    HA   ASP  11           HA       ASP  11   2.012  -7.199   2.766
   85    HB2  ASP  11           2HB      ASP  11   0.214  -8.384   4.896
   86    HB3  ASP  11           1HB      ASP  11   1.495  -9.279   4.083
   87    H    LEU  12           H        LEU  12   1.804  -8.254   1.013
   88    HA   LEU  12           HA       LEU  12  -0.824  -8.702  -0.144
   89    HB2  LEU  12           2HB      LEU  12   1.905  -9.364  -1.274
   90    HB3  LEU  12           1HB      LEU  12   0.383  -9.448  -2.144
   91    HG   LEU  12           HG       LEU  12   1.901  -7.008  -1.265
   92   HD11  LEU  12          1HD1      LEU  12   2.403  -7.995  -3.457
   93   HD12  LEU  12          2HD1      LEU  12   1.676  -6.397  -3.602
   94   HD13  LEU  12          3HD1      LEU  12   0.706  -7.837  -3.906
   95   HD21  LEU  12          3HD2      LEU  12  -0.968  -7.083  -2.194
   96   HD22  LEU  12          1HD2      LEU  12  -0.001  -5.634  -1.913
   97   HD23  LEU  12          2HD2      LEU  12  -0.426  -6.688  -0.564
   98    H    GLN  13           H        GLN  13  -1.600 -10.785  -0.736
   99    HA   GLN  13           HA       GLN  13  -1.206 -12.675   1.293
  100    HB2  GLN  13           2HB      GLN  13  -2.495 -13.199  -1.383
  101    HB3  GLN  13           1HB      GLN  13  -2.804 -14.025   0.139
  102    HG2  GLN  13           2HG      GLN  13  -3.637 -11.852   1.055
  103    HG3  GLN  13           1HG      GLN  13  -3.501 -11.192  -0.575
  104   HE21  GLN  13          1HE2      GLN  13  -5.856 -11.493   1.062
  105   HE22  GLN  13          2HE2      GLN  13  -6.957 -12.489   0.170
  106    H    ASP  14           H        ASP  14   0.791 -12.062  -1.304
  107    HA   ASP  14           HA       ASP  14   1.664 -14.840  -1.611
  108    HB2  ASP  14           2HB      ASP  14   2.698 -14.220  -3.590
  109    HB3  ASP  14           1HB      ASP  14   1.343 -13.097  -3.558
  110    H    GLY  15           H        GLY  15   2.546 -11.812  -0.187
  111    HA2  GLY  15           2HA      GLY  15   4.111 -12.307   1.780
  112    HA3  GLY  15           1HA      GLY  15   5.193 -12.877   0.525
  113    H    SER  16           H        SER  16   4.018 -10.596  -1.203
  114    HA   SER  16           HA       SER  16   6.201  -8.850  -0.706
  115    HB2  SER  16           2HB      SER  16   3.794  -8.239  -2.414
  116    HB3  SER  16           1HB      SER  16   5.424  -7.601  -2.580
  117    HG   SER  16           HG       SER  16   4.429 -10.158  -3.224
  118    H    LYS  17           H        LYS  17   6.063  -6.566  -0.227
  119    HA   LYS  17           HA       LYS  17   3.863  -5.960   1.641
  120    HB2  LYS  17           2HB      LYS  17   6.787  -5.254   1.964
  121    HB3  LYS  17           1HB      LYS  17   5.497  -4.908   3.111
  122    HG2  LYS  17           2HG      LYS  17   5.156  -7.384   3.319
  123    HG3  LYS  17           1HG      LYS  17   6.622  -7.591   2.350
  124    HD2  LYS  17           2HD      LYS  17   7.939  -6.457   3.999
  125    HD3  LYS  17           1HD      LYS  17   6.500  -6.020   4.922
  126    HE2  LYS  17           2HE      LYS  17   7.581  -7.881   5.993
  127    HE3  LYS  17           1HE      LYS  17   6.056  -8.425   5.294
  128    HZ1  LYS  17           3HZ      LYS  17   7.325  -9.286   3.394
  129    HZ2  LYS  17           1HZ      LYS  17   7.782 -10.019   4.850
  130    HZ3  LYS  17           2HZ      LYS  17   8.768  -8.833   4.156
  131    H    VAL  18           H        VAL  18   2.832  -4.103   1.227
  132    HA   VAL  18           HA       VAL  18   4.195  -2.056  -0.416
  133    HB   VAL  18           HB       VAL  18   1.242  -2.534   0.113
  134   HG11  VAL  18          1HG1      VAL  18   0.857  -0.728  -1.537
  135   HG12  VAL  18          2HG1      VAL  18   2.587  -0.384  -1.530
  136   HG13  VAL  18          3HG1      VAL  18   1.633  -0.154  -0.061
  137   HG21  VAL  18          3HG2      VAL  18   2.224  -4.131  -1.442
  138   HG22  VAL  18          1HG2      VAL  18   2.873  -2.810  -2.413
  139   HG23  VAL  18          2HG2      VAL  18   1.128  -3.037  -2.285
  140    H    HIS  19           H        HIS  19   4.322   0.067   0.402
  141    HA   HIS  19           HA       HIS  19   3.222   0.417   3.112
  142    HB2  HIS  19           2HB      HIS  19   5.804   1.739   2.431
  143    HB3  HIS  19           1HB      HIS  19   5.190   1.230   3.999
  144    HD1  HIS  19           1HD      HIS  19   5.057  -1.604   4.095
  145    HD2  HIS  19           2HD      HIS  19   7.823   0.252   1.662
  146    HE1  HIS  19           1HE      HIS  19   6.751  -3.378   3.557
  147    HE2  HIS  19           2HE      HIS  19   8.538  -2.183   2.253
  148    H    VAL  20           H        VAL  20   2.075   2.157   3.360
  149    HA   VAL  20           HA       VAL  20   2.302   4.303   1.385
  150    HB   VAL  20           HB       VAL  20   0.303   4.033   3.649
  151   HG11  VAL  20          1HG1      VAL  20   0.676   6.340   2.865
  152   HG12  VAL  20          2HG1      VAL  20  -0.942   5.767   2.466
  153   HG13  VAL  20          3HG1      VAL  20   0.300   5.834   1.218
  154   HG21  VAL  20          3HG2      VAL  20   0.087   2.209   1.997
  155   HG22  VAL  20          1HG2      VAL  20  -0.073   3.413   0.716
  156   HG23  VAL  20          2HG2      VAL  20  -1.298   3.303   1.981
  157    H    PHE  21           H        PHE  21   3.599   5.911   1.842
  158    HA   PHE  21           HA       PHE  21   4.909   5.881   4.422
  159    HB2  PHE  21           2HB      PHE  21   5.489   7.234   1.803
  160    HB3  PHE  21           1HB      PHE  21   6.402   7.604   3.260
  161    HD1  PHE  21           1HD      PHE  21   5.609   5.019   0.782
  162    HD2  PHE  21           2HD      PHE  21   8.048   6.045   4.124
  163    HE1  PHE  21           1HE      PHE  21   7.049   3.072   0.339
  164    HE2  PHE  21           2HE      PHE  21   9.477   4.106   3.674
  165    HZ   PHE  21           HZ       PHE  21   9.051   2.662   1.813
  166    H    LYS  22           H        LYS  22   5.323   7.757   5.621
  167    HA   LYS  22           HA       LYS  22   3.054   9.176   6.363
  168    HB2  LYS  22           2HB      LYS  22   4.648  10.543   7.701
  169    HB3  LYS  22           1HB      LYS  22   4.916   8.807   7.857
  170    HG2  LYS  22           2HG      LYS  22   6.760   8.880   6.372
  171    HG3  LYS  22           1HG      LYS  22   6.462  10.583   6.002
  172    HD2  LYS  22           2HD      LYS  22   7.150   9.527   8.746
  173    HD3  LYS  22           1HD      LYS  22   8.323  10.215   7.622
  174    HE2  LYS  22           2HE      LYS  22   5.884  11.687   8.601
  175    HE3  LYS  22           1HE      LYS  22   7.467  11.798   9.373
  176    HZ1  LYS  22           3HZ      LYS  22   8.392  12.742   7.423
  177    HZ2  LYS  22           1HZ      LYS  22   6.970  13.599   7.752
  178    HZ3  LYS  22           2HZ      LYS  22   6.994  12.445   6.509
  179    H    ASP  23           H        ASP  23   5.284   9.860   3.829
  180    HA   ASP  23           HA       ASP  23   4.599  12.683   3.770
  181    HB2  ASP  23           2HB      ASP  23   6.574  11.119   2.099
  182    HB3  ASP  23           1HB      ASP  23   6.323  12.857   2.012
  183    H    GLY  24           H        GLY  24   3.263   9.946   2.836
  184    HA2  GLY  24           2HA      GLY  24   1.292   9.951   1.611
  185    HA3  GLY  24           1HA      GLY  24   1.907  11.289   0.672
  186    H    LYS  25           H        LYS  25   4.504   9.368   0.555
  187    HA   LYS  25           HA       LYS  25   3.753   8.394  -2.036
  188    HB2  LYS  25           2HB      LYS  25   6.336   8.119  -0.504
  189    HB3  LYS  25           1HB      LYS  25   6.095   7.651  -2.179
  190    HG2  LYS  25           2HG      LYS  25   6.959   9.679  -2.565
  191    HG3  LYS  25           1HG      LYS  25   5.294  10.196  -2.320
  192    HD2  LYS  25           2HD      LYS  25   6.776  11.619  -1.050
  193    HD3  LYS  25           1HD      LYS  25   5.807  10.640   0.052
  194    HE2  LYS  25           2HE      LYS  25   8.155  10.771   0.768
  195    HE3  LYS  25           1HE      LYS  25   7.679   9.120   0.380
  196    HZ1  LYS  25           3HZ      LYS  25   8.850   9.197  -1.642
  197    HZ2  LYS  25           1HZ      LYS  25   9.902   9.862  -0.491
  198    HZ3  LYS  25           2HZ      LYS  25   9.065  10.879  -1.563
  199    H    MET  26           H        MET  26   4.828   6.100  -2.513
  200    HA   MET  26           HA       MET  26   4.146   4.207  -0.405
  201    HB2  MET  26           2HB      MET  26   3.099   4.002  -3.239
  202    HB3  MET  26           1HB      MET  26   2.967   2.750  -2.017
  203    HG2  MET  26           2HG      MET  26   0.883   3.740  -2.007
  204    HG3  MET  26           1HG      MET  26   1.697   4.494  -0.639
  205    HE1  MET  26           3HE      MET  26   2.578   5.351  -4.338
  206    HE2  MET  26           1HE      MET  26   1.370   6.574  -4.736
  207    HE3  MET  26           2HE      MET  26   0.875   4.902  -4.458
  208    H    GLY  27           H        GLY  27   5.303   2.354  -0.445
  209    HA2  GLY  27           2HA      GLY  27   7.200   1.955  -2.660
  210    HA3  GLY  27           1HA      GLY  27   7.786   1.991  -0.999
  211    H    MET  28           H        MET  28   7.803  -0.194  -3.000
  212    HA   MET  28           HA       MET  28   6.149  -2.122  -1.516
  213    HB2  MET  28           2HB      MET  28   5.234  -1.664  -3.753
  214    HB3  MET  28           1HB      MET  28   6.771  -2.112  -4.476
  215    HG2  MET  28           2HG      MET  28   6.505  -4.390  -3.706
  216    HG3  MET  28           1HG      MET  28   5.000  -3.957  -2.892
  217    HE1  MET  28           3HE      MET  28   3.946  -6.078  -4.213
  218    HE2  MET  28           1HE      MET  28   5.451  -6.339  -5.096
  219    HE3  MET  28           2HE      MET  28   3.928  -6.204  -5.974
  220    H    GLU  29           H        GLU  29   7.012  -4.063  -1.022
  221    HA   GLU  29           HA       GLU  29   9.729  -4.687  -1.978
  222    HB2  GLU  29           2HB      GLU  29   8.576  -4.918   0.800
  223    HB3  GLU  29           1HB      GLU  29   9.874  -5.982   0.278
  224    HG2  GLU  29           2HG      GLU  29  11.381  -4.217   0.038
  225    HG3  GLU  29           1HG      GLU  29  10.102  -3.002   0.094
  226    H    ASN  30           H        ASN  30  10.048  -6.938  -2.422
  227    HA   ASN  30           HA       ASN  30   7.551  -8.350  -2.894
  228    HB2  ASN  30           2HB      ASN  30   8.976 -10.049  -4.010
  229    HB3  ASN  30           1HB      ASN  30   9.206  -8.431  -4.665
  230   HD21  ASN  30          1HD2      ASN  30  11.217  -9.049  -5.487
  231   HD22  ASN  30          2HD2      ASN  30  12.595  -9.207  -4.449
  232    H    LYS  31           H        LYS  31   7.424 -10.696  -2.291
  233    HA   LYS  31           HA       LYS  31   7.708 -11.249   0.385
  234    HB2  LYS  31           2HB      LYS  31   7.491 -13.659  -0.308
  235    HB3  LYS  31           1HB      LYS  31   6.242 -12.568  -0.887
  236    HG2  LYS  31           2HG      LYS  31   7.372 -12.453  -3.063
  237    HG3  LYS  31           1HG      LYS  31   8.587 -13.593  -2.473
  238    HD2  LYS  31           2HD      LYS  31   6.969 -15.320  -2.232
  239    HD3  LYS  31           1HD      LYS  31   5.635 -14.197  -2.512
  240    HE2  LYS  31           2HE      LYS  31   7.759 -14.912  -4.526
  241    HE3  LYS  31           1HE      LYS  31   6.143 -15.619  -4.469
  242    HZ1  LYS  31           3HZ      LYS  31   6.017 -13.919  -6.054
  243    HZ2  LYS  31           1HZ      LYS  31   6.900 -12.832  -5.101
  244    HZ3  LYS  31           2HZ      LYS  31   5.321 -13.238  -4.660
  245    H    PHE  32           H        PHE  32  10.334 -10.775  -1.535
  246    HA   PHE  32           HA       PHE  32  11.982 -12.676  -0.021
  247    HB2  PHE  32           2HB      PHE  32  12.638 -11.165  -2.563
  248    HB3  PHE  32           1HB      PHE  32  13.744 -12.236  -1.709
  249    HD1  PHE  32           1HD      PHE  32  13.339 -14.656  -1.671
  250    HD2  PHE  32           2HD      PHE  32  10.897 -12.016  -3.945
  251    HE1  PHE  32           1HE      PHE  32  12.480 -16.566  -2.958
  252    HE2  PHE  32           2HE      PHE  32  10.031 -13.922  -5.236
  253    HZ   PHE  32           HZ       PHE  32  10.822 -16.201  -4.743
  254    H    GLY  33           H        GLY  33  10.891  -9.565   0.034
  255    HA2  GLY  33           2HA      GLY  33  11.443  -8.000   1.652
  256    HA3  GLY  33           1HA      GLY  33  12.932  -8.876   1.950
  257    H    LYS  34           H        LYS  34  12.136  -8.123  -1.289
  258    HA   LYS  34           HA       LYS  34  14.264  -6.091  -1.253
  259    HB2  LYS  34           2HB      LYS  34  13.373  -7.894  -3.504
  260    HB3  LYS  34           1HB      LYS  34  14.637  -6.669  -3.624
  261    HG2  LYS  34           2HG      LYS  34  14.752  -8.803  -1.555
  262    HG3  LYS  34           1HG      LYS  34  15.321  -9.104  -3.196
  263    HD2  LYS  34           2HD      LYS  34  16.271  -6.792  -1.510
  264    HD3  LYS  34           1HD      LYS  34  17.069  -8.364  -1.499
  265    HE2  LYS  34           2HE      LYS  34  16.621  -6.716  -3.981
  266    HE3  LYS  34           1HE      LYS  34  18.100  -6.670  -3.023
  267    HZ1  LYS  34           3HZ      LYS  34  16.980  -9.048  -4.411
  268    HZ2  LYS  34           1HZ      LYS  34  18.367  -9.054  -3.434
  269    HZ3  LYS  34           2HZ      LYS  34  18.354  -8.165  -4.876
  270    H    SER  35           H        SER  35  14.052  -4.226  -2.185
  271    HA   SER  35           HA       SER  35  11.393  -3.182  -2.236
  272    HB2  SER  35           2HB      SER  35  14.012  -1.815  -2.855
  273    HB3  SER  35           1HB      SER  35  12.481  -1.022  -2.487
  274    HG   SER  35           HG       SER  35  14.088  -1.342  -0.710
  275    H    MET  36           H        MET  36  10.194  -2.465  -3.886
  276    HA   MET  36           HA       MET  36  11.281  -2.215  -6.566
  277    HB2  MET  36           2HB      MET  36   9.461  -3.651  -7.517
  278    HB3  MET  36           1HB      MET  36  10.669  -4.543  -6.603
  279    HG2  MET  36           2HG      MET  36   9.190  -4.717  -4.719
  280    HG3  MET  36           1HG      MET  36   8.000  -3.688  -5.512
  281    HE1  MET  36           3HE      MET  36   7.875  -4.589  -8.414
  282    HE2  MET  36           1HE      MET  36   6.402  -4.466  -7.454
  283    HE3  MET  36           2HE      MET  36   6.709  -5.912  -8.416
  284    H    ASN  37           H        ASN  37   9.205  -1.647  -8.051
  285    HA   ASN  37           HA       ASN  37   7.849   0.503  -6.575
  286    HB2  ASN  37           2HB      ASN  37   7.535   1.602  -8.750
  287    HB3  ASN  37           1HB      ASN  37   9.236   1.279  -8.439
  288   HD21  ASN  37          1HD2      ASN  37  10.303  -0.276  -9.640
  289   HD22  ASN  37          2HD2      ASN  37   9.660  -0.895 -11.128
  290    H    MET  38           H        MET  38   5.641   1.014  -7.190
  291    HA   MET  38           HA       MET  38   4.124  -1.429  -7.764
  292    HB2  MET  38           2HB      MET  38   3.654  -0.270  -5.624
  293    HB3  MET  38           1HB      MET  38   3.197   1.169  -6.525
  294    HG2  MET  38           2HG      MET  38   1.348  -0.022  -7.542
  295    HG3  MET  38           1HG      MET  38   1.822  -1.500  -6.707
  296    HE1  MET  38           3HE      MET  38  -1.473  -0.587  -4.870
  297    HE2  MET  38           1HE      MET  38  -0.609  -1.771  -5.849
  298    HE3  MET  38           2HE      MET  38  -1.151  -0.257  -6.574
  299    HA   PRO  39           HA       PRO  39   3.151   0.332 -11.717
  300    HB2  PRO  39           2HB      PRO  39   1.363  -1.532 -12.516
  301    HB3  PRO  39           1HB      PRO  39   3.103  -1.837 -12.478
  302    HG2  PRO  39           2HG      PRO  39   0.995  -2.637 -10.513
  303    HG3  PRO  39           1HG      PRO  39   2.374  -3.569 -11.124
  304    HD2  PRO  39           2HD      PRO  39   2.368  -2.320  -8.701
  305    HD3  PRO  39           1HD      PRO  39   3.841  -2.600  -9.652
  306    H    GLU  40           H        GLU  40   1.786   1.906 -12.284
  307    HA   GLU  40           HA       GLU  40  -0.536   2.481 -10.707
  308    HB2  GLU  40           2HB      GLU  40   0.812   4.284 -11.698
  309    HB3  GLU  40           1HB      GLU  40   0.400   3.712 -13.310
  310    HG2  GLU  40           2HG      GLU  40  -1.948   4.212 -12.899
  311    HG3  GLU  40           1HG      GLU  40  -1.555   4.757 -11.272
  312    H    GLY  41           H        GLY  41  -2.658   2.128 -11.155
  313    HA2  GLY  41           2HA      GLY  41  -4.493   1.750 -12.612
  314    HA3  GLY  41           1HA      GLY  41  -3.378   1.108 -13.807
  315    H    LYS  42           H        LYS  42  -2.208  -0.426 -11.326
  316    HA   LYS  42           HA       LYS  42  -4.022  -2.697 -11.693
  317    HB2  LYS  42           2HB      LYS  42  -1.103  -2.461 -11.113
  318    HB3  LYS  42           1HB      LYS  42  -1.965  -3.917 -10.640
  319    HG2  LYS  42           2HG      LYS  42  -1.965  -2.818 -13.440
  320    HG3  LYS  42           1HG      LYS  42  -0.835  -4.044 -12.861
  321    HD2  LYS  42           2HD      LYS  42  -2.642  -5.559 -12.382
  322    HD3  LYS  42           1HD      LYS  42  -3.836  -4.319 -12.767
  323    HE2  LYS  42           2HE      LYS  42  -1.836  -5.399 -14.743
  324    HE3  LYS  42           1HE      LYS  42  -3.476  -6.022 -14.565
  325    HZ1  LYS  42           3HZ      LYS  42  -3.412  -4.432 -16.347
  326    HZ2  LYS  42           1HZ      LYS  42  -2.705  -3.257 -15.347
  327    HZ3  LYS  42           2HZ      LYS  42  -4.295  -3.766 -15.065
  328    H    VAL  43           H        VAL  43  -5.203  -3.439 -10.104
  329    HA   VAL  43           HA       VAL  43  -4.757  -2.379  -7.426
  330    HB   VAL  43           HB       VAL  43  -7.035  -2.177  -8.421
  331   HG11  VAL  43          1HG1      VAL  43  -7.146  -5.175  -8.141
  332   HG12  VAL  43          2HG1      VAL  43  -7.072  -4.286  -9.662
  333   HG13  VAL  43          3HG1      VAL  43  -8.479  -4.116  -8.609
  334   HG21  VAL  43          3HG2      VAL  43  -8.273  -2.956  -6.432
  335   HG22  VAL  43          1HG2      VAL  43  -6.787  -2.100  -6.014
  336   HG23  VAL  43          2HG2      VAL  43  -6.845  -3.858  -5.925
  337    H    MET  44           H        MET  44  -4.094  -3.622  -5.775
  338    HA   MET  44           HA       MET  44  -3.755  -6.497  -6.324
  339    HB2  MET  44           2HB      MET  44  -1.896  -4.660  -4.803
  340    HB3  MET  44           1HB      MET  44  -1.738  -6.411  -4.848
  341    HG2  MET  44           2HG      MET  44  -1.517  -6.261  -7.321
  342    HG3  MET  44           1HG      MET  44  -1.498  -4.505  -7.160
  343    HE1  MET  44           3HE      MET  44   1.780  -3.966  -5.044
  344    HE2  MET  44           1HE      MET  44   0.136  -4.160  -4.437
  345    HE3  MET  44           2HE      MET  44   0.438  -3.165  -5.862
  346    H    GLU  45           H        GLU  45  -4.010  -7.910  -4.552
  347    HA   GLU  45           HA       GLU  45  -5.794  -6.776  -2.533
  348    HB2  GLU  45           2HB      GLU  45  -6.756  -8.450  -4.008
  349    HB3  GLU  45           1HB      GLU  45  -5.483  -9.585  -3.586
  350    HG2  GLU  45           2HG      GLU  45  -6.309  -9.831  -1.403
  351    HG3  GLU  45           1HG      GLU  45  -7.418  -8.468  -1.588
  352    H    THR  46           H        THR  46  -5.638  -7.450  -0.392
  353    HA   THR  46           HA       THR  46  -2.839  -8.000   0.370
  354    HB   THR  46           HB       THR  46  -3.253  -6.693   2.407
  355    HG1  THR  46           1HG      THR  46  -5.193  -5.901   2.863
  356   HG21  THR  46          3HG2      THR  46  -2.309  -5.593   0.429
  357   HG22  THR  46          1HG2      THR  46  -3.329  -4.486   1.347
  358   HG23  THR  46          2HG2      THR  46  -3.936  -5.216  -0.138
  359    H    ARG  47           H        ARG  47  -2.512  -9.015   2.481
  360    HA   ARG  47           HA       ARG  47  -3.856 -11.436   2.779
  361    HB2  ARG  47           2HB      ARG  47  -2.175  -9.867   4.719
  362    HB3  ARG  47           1HB      ARG  47  -2.747 -11.492   5.048
  363    HG2  ARG  47           2HG      ARG  47  -1.526 -12.310   3.100
  364    HG3  ARG  47           1HG      ARG  47  -0.944 -10.673   2.785
  365    HD2  ARG  47           2HD      ARG  47   0.186 -10.627   4.921
  366    HD3  ARG  47           1HD      ARG  47  -0.461 -12.215   5.327
  367    HE   ARG  47           HE       ARG  47   0.925 -12.546   2.968
  368   HH11  ARG  47          1HH1      ARG  47   1.691 -11.401   6.190
  369   HH12  ARG  47          2HH1      ARG  47   3.310 -12.041   6.174
  370   HH21  ARG  47          1HH2      ARG  47   3.058 -13.382   2.933
  371   HH22  ARG  47          2HH2      ARG  47   4.087 -13.164   4.313
  372    H    ASP  48           H        ASP  48  -4.674  -8.288   4.008
  373    HA   ASP  48           HA       ASP  48  -6.286  -9.387   6.165
  374    HB2  ASP  48           2HB      ASP  48  -6.596  -7.145   6.922
  375    HB3  ASP  48           1HB      ASP  48  -4.904  -7.302   6.462
  376    H    GLY  49           H        GLY  49  -6.626  -8.469   2.911
  377    HA2  GLY  49           2HA      GLY  49  -8.566  -9.264   1.741
  378    HA3  GLY  49           1HA      GLY  49  -9.522  -8.911   3.169
  379    H    THR  50           H        THR  50  -7.174  -6.588   2.065
  380    HA   THR  50           HA       THR  50  -9.373  -4.924   1.052
  381    HB   THR  50           HB       THR  50  -6.669  -4.051   2.121
  382    HG1  THR  50           1HG      THR  50  -7.757  -4.634   3.917
  383   HG21  THR  50          3HG2      THR  50  -7.649  -2.479   0.498
  384   HG22  THR  50          1HG2      THR  50  -7.617  -1.804   2.129
  385   HG23  THR  50          2HG2      THR  50  -9.127  -2.423   1.460
  386    H    LYS  51           H        LYS  51  -8.688  -3.426  -0.733
  387    HA   LYS  51           HA       LYS  51  -6.613  -4.628  -2.436
  388    HB2  LYS  51           2HB      LYS  51  -9.222  -3.366  -3.309
  389    HB3  LYS  51           1HB      LYS  51  -7.964  -3.950  -4.389
  390    HG2  LYS  51           2HG      LYS  51  -8.289  -6.221  -3.557
  391    HG3  LYS  51           1HG      LYS  51  -9.542  -5.644  -2.455
  392    HD2  LYS  51           2HD      LYS  51 -10.832  -4.854  -4.420
  393    HD3  LYS  51           1HD      LYS  51  -9.598  -5.557  -5.469
  394    HE2  LYS  51           2HE      LYS  51 -11.243  -7.091  -3.460
  395    HE3  LYS  51           1HE      LYS  51 -11.573  -7.010  -5.190
  396    HZ1  LYS  51           3HZ      LYS  51  -9.279  -7.949  -5.513
  397    HZ2  LYS  51           1HZ      LYS  51 -10.407  -9.002  -4.807
  398    HZ3  LYS  51           2HZ      LYS  51  -9.244  -8.247  -3.842
  399    H    ILE  52           H        ILE  52  -5.262  -3.213  -3.514
  400    HA   ILE  52           HA       ILE  52  -5.604  -0.336  -2.990
  401    HB   ILE  52           HB       ILE  52  -3.183  -0.146  -2.462
  402   HG12  ILE  52          2HG1      ILE  52  -3.303  -3.177  -2.461
  403   HG13  ILE  52          1HG1      ILE  52  -2.381  -2.172  -3.575
  404   HG21  ILE  52          1HG2      ILE  52  -4.838  -0.264  -0.662
  405   HG22  ILE  52          2HG2      ILE  52  -3.314  -1.007  -0.188
  406   HG23  ILE  52          3HG2      ILE  52  -4.686  -2.021  -0.634
  407   HD11  ILE  52          3HD1      ILE  52  -1.898  -2.504  -0.619
  408   HD12  ILE  52          1HD1      ILE  52  -1.024  -1.382  -1.665
  409   HD13  ILE  52          2HD1      ILE  52  -0.908  -3.118  -1.940
  410    H    ILE  53           H        ILE  53  -4.563   1.050  -4.466
  411    HA   ILE  53           HA       ILE  53  -2.982   0.020  -6.608
  412    HB   ILE  53           HB       ILE  53  -4.918  -0.659  -7.728
  413   HG12  ILE  53          2HG1      ILE  53  -3.325   1.124  -8.928
  414   HG13  ILE  53          1HG1      ILE  53  -4.694   0.374  -9.736
  415   HG21  ILE  53          1HG2      ILE  53  -6.209   1.968  -7.037
  416   HG22  ILE  53          2HG2      ILE  53  -6.587   0.392  -6.344
  417   HG23  ILE  53          3HG2      ILE  53  -6.919   0.708  -8.047
  418   HD11  ILE  53          3HD1      ILE  53  -4.595   2.760 -10.169
  419   HD12  ILE  53          1HD1      ILE  53  -4.684   3.090  -8.439
  420   HD13  ILE  53          2HD1      ILE  53  -6.052   2.343  -9.267
  421    H    MET  54           H        MET  54  -1.958   1.644  -7.841
  422    HA   MET  54           HA       MET  54  -1.825   4.206  -6.361
  423    HB2  MET  54           2HB      MET  54   0.229   2.917  -6.338
  424    HB3  MET  54           1HB      MET  54   0.175   2.710  -8.078
  425    HG2  MET  54           2HG      MET  54   0.584   5.086  -8.392
  426    HG3  MET  54           1HG      MET  54   0.591   5.331  -6.643
  427    HE1  MET  54           3HE      MET  54   3.009   6.528  -6.915
  428    HE2  MET  54           1HE      MET  54   2.973   6.217  -8.651
  429    HE3  MET  54           2HE      MET  54   4.386   5.752  -7.702
  430    H    LYS  55           H        LYS  55  -2.076   6.106  -7.412
  431    HA   LYS  55           HA       LYS  55  -2.286   6.151 -10.314
  432    HB2  LYS  55           2HB      LYS  55  -4.610   5.738  -9.195
  433    HB3  LYS  55           1HB      LYS  55  -4.496   7.426  -8.717
  434    HG2  LYS  55           2HG      LYS  55  -5.757   7.335 -10.724
  435    HG3  LYS  55           1HG      LYS  55  -4.171   7.994 -11.133
  436    HD2  LYS  55           2HD      LYS  55  -3.469   5.714 -11.834
  437    HD3  LYS  55           1HD      LYS  55  -5.119   5.162 -11.549
  438    HE2  LYS  55           2HE      LYS  55  -4.851   5.595 -13.892
  439    HE3  LYS  55           1HE      LYS  55  -5.903   6.832 -13.210
  440    HZ1  LYS  55           3HZ      LYS  55  -4.074   8.374 -13.190
  441    HZ2  LYS  55           1HZ      LYS  55  -4.244   7.737 -14.752
  442    HZ3  LYS  55           2HZ      LYS  55  -2.998   7.183 -13.743
  443    H    GLY  56           H        GLY  56  -0.791   7.673 -10.753
  444    HA2  GLY  56           2HA      GLY  56   0.535   9.529 -10.445
  445    HA3  GLY  56           1HA      GLY  56  -0.691  10.166  -9.346
  446    H    ASN  57           H        ASN  57   0.997  10.788  -7.878
  447    HA   ASN  57           HA       ASN  57   2.601   8.757  -6.655
  448    HB2  ASN  57           2HB      ASN  57   3.067  11.326  -7.011
  449    HB3  ASN  57           1HB      ASN  57   2.220  11.487  -5.480
  450   HD21  ASN  57          1HD2      ASN  57   3.216   8.930  -4.465
  451   HD22  ASN  57          2HD2      ASN  57   4.887   9.194  -4.074
  452    H    GLU  58           H        GLU  58  -0.566   9.140  -6.456
  453    HA   GLU  58           HA       GLU  58  -0.730   8.851  -3.547
  454    HB2  GLU  58           2HB      GLU  58  -2.892   9.350  -5.588
  455    HB3  GLU  58           1HB      GLU  58  -3.168   9.130  -3.869
  456    HG2  GLU  58           2HG      GLU  58  -3.141  11.377  -3.873
  457    HG3  GLU  58           1HG      GLU  58  -1.403  11.132  -3.757
  458    H    ILE  59           H        ILE  59  -2.769   7.371  -3.038
  459    HA   ILE  59           HA       ILE  59  -2.719   5.032  -4.734
  460    HB   ILE  59           HB       ILE  59  -0.864   4.844  -2.943
  461   HG12  ILE  59          2HG1      ILE  59  -2.936   2.647  -3.086
  462   HG13  ILE  59          1HG1      ILE  59  -1.777   3.004  -4.363
  463   HG21  ILE  59          1HG2      ILE  59  -1.565   3.995  -0.775
  464   HG22  ILE  59          2HG2      ILE  59  -3.258   4.210  -1.222
  465   HG23  ILE  59          3HG2      ILE  59  -2.208   5.618  -1.038
  466   HD11  ILE  59          3HD1      ILE  59  -1.074   2.170  -1.561
  467   HD12  ILE  59          1HD1      ILE  59   0.059   2.466  -2.881
  468   HD13  ILE  59          2HD1      ILE  59  -1.079   1.120  -2.978
  469    H    PHE  60           H        PHE  60  -4.539   3.962  -4.754
  470    HA   PHE  60           HA       PHE  60  -6.806   4.734  -3.138
  471    HB2  PHE  60           2HB      PHE  60  -7.560   4.173  -5.227
  472    HB3  PHE  60           1HB      PHE  60  -6.220   3.089  -5.538
  473    HD1  PHE  60           1HD      PHE  60  -6.351   0.777  -4.282
  474    HD2  PHE  60           2HD      PHE  60  -9.676   3.324  -4.959
  475    HE1  PHE  60           1HE      PHE  60  -7.883  -1.121  -3.929
  476    HE2  PHE  60           2HE      PHE  60 -11.202   1.454  -4.616
  477    HZ   PHE  60           HZ       PHE  60 -10.241  -0.878  -4.356
  478    H    ARG  61           H        ARG  61  -6.844   4.047  -1.105
  479    HA   ARG  61           HA       ARG  61  -6.147   1.223  -0.636
  480    HB2  ARG  61           2HB      ARG  61  -5.109   3.317   0.764
  481    HB3  ARG  61           1HB      ARG  61  -6.580   3.017   1.695
  482    HG2  ARG  61           2HG      ARG  61  -4.550   0.889   1.051
  483    HG3  ARG  61           1HG      ARG  61  -4.515   1.853   2.523
  484    HD2  ARG  61           2HD      ARG  61  -6.951   0.289   1.722
  485    HD3  ARG  61           1HD      ARG  61  -5.625  -0.465   2.606
  486    HE   ARG  61           HE       ARG  61  -6.489   1.935   3.881
  487   HH11  ARG  61          1HH1      ARG  61  -7.339  -1.448   3.448
  488   HH12  ARG  61          2HH1      ARG  61  -8.198  -1.559   4.953
  489   HH21  ARG  61          1HH2      ARG  61  -7.614   1.774   5.868
  490   HH22  ARG  61          2HH2      ARG  61  -8.348   0.263   6.324
  491    H    LEU  62           H        LEU  62  -7.952   0.135  -0.766
  492    HA   LEU  62           HA       LEU  62 -10.214  -0.362  -0.862
  493    HB2  LEU  62           2HB      LEU  62  -9.973  -0.551   1.443
  494    HB3  LEU  62           1HB      LEU  62  -9.686   1.154   1.658
  495    HG   LEU  62           HG       LEU  62 -11.722   0.395   2.736
  496   HD11  LEU  62          1HD1      LEU  62 -12.283   2.232   0.446
  497   HD12  LEU  62          2HD1      LEU  62 -11.450   2.680   1.937
  498   HD13  LEU  62          3HD1      LEU  62 -13.142   2.156   1.987
  499   HD21  LEU  62          3HD2      LEU  62 -12.351  -1.396   1.199
  500   HD22  LEU  62          1HD2      LEU  62 -12.714  -0.206  -0.050
  501   HD23  LEU  62          2HD2      LEU  62 -13.679  -0.258   1.424
  502    H    ASP  63           H        ASP  63  -9.344   2.995  -0.845
  503    HA   ASP  63           HA       ASP  63 -10.087   4.863  -1.815
  504    HB2  ASP  63           2HB      ASP  63 -10.564   3.567  -3.803
  505    HB3  ASP  63           1HB      ASP  63 -12.121   3.112  -3.153
  506    H    GLU  64           H        GLU  64 -10.619   4.835   0.593
  507    HA   GLU  64           HA       GLU  64 -12.511   6.736   1.018
  508    HB2  GLU  64           2HB      GLU  64 -14.288   5.129   0.529
  509    HB3  GLU  64           1HB      GLU  64 -13.637   4.006   1.715
  510    HG2  GLU  64           2HG      GLU  64 -14.183   5.500   3.508
  511    HG3  GLU  64           1HG      GLU  64 -14.698   6.742   2.369
  512    H    ALA  65           H        ALA  65 -11.123   3.811   2.351
  513    HA   ALA  65           HA       ALA  65 -11.035   4.308   5.043
  514    HB1  ALA  65           1HB      ALA  65 -10.244   2.238   3.875
  515    HB2  ALA  65           2HB      ALA  65  -9.153   2.821   5.149
  516    HB3  ALA  65           3HB      ALA  65  -8.761   3.118   3.455
  517    H    LEU  66           H        LEU  66  -8.433   5.098   2.768
  518    HA   LEU  66           HA       LEU  66  -7.246   6.930   4.688
  519    HB2  LEU  66           2HB      LEU  66  -5.311   6.866   3.388
  520    HB3  LEU  66           1HB      LEU  66  -5.939   5.240   3.321
  521    HG   LEU  66           HG       LEU  66  -5.182   5.632   1.166
  522   HD11  LEU  66          1HD1      LEU  66  -8.104   6.356   1.044
  523   HD12  LEU  66          2HD1      LEU  66  -7.428   4.726   1.051
  524   HD13  LEU  66          3HD1      LEU  66  -7.123   5.803  -0.313
  525   HD21  LEU  66          3HD2      LEU  66  -6.352   8.379   1.415
  526   HD22  LEU  66          1HD2      LEU  66  -5.715   7.724  -0.097
  527   HD23  LEU  66          2HD2      LEU  66  -4.652   7.929   1.296
  528    H    ARG  67           H        ARG  67  -9.525   7.010   2.349
  529    HA   ARG  67           HA       ARG  67  -8.815   9.427   0.987
  530    HB2  ARG  67           2HB      ARG  67  -9.978   7.690  -0.195
  531    HB3  ARG  67           1HB      ARG  67 -11.277   7.687   0.977
  532    HG2  ARG  67           2HG      ARG  67 -11.936   9.904   0.253
  533    HG3  ARG  67           1HG      ARG  67 -10.614   9.918  -0.912
  534    HD2  ARG  67           2HD      ARG  67 -11.558   8.040  -2.079
  535    HD3  ARG  67           1HD      ARG  67 -12.818   7.873  -0.857
  536    HE   ARG  67           HE       ARG  67 -13.012  10.447  -1.899
  537   HH11  ARG  67          1HH1      ARG  67 -13.264   7.163  -3.099
  538   HH12  ARG  67          2HH1      ARG  67 -14.496   7.548  -4.263
  539   HH21  ARG  67          1HH2      ARG  67 -14.598  10.962  -3.424
  540   HH22  ARG  67          2HH2      ARG  67 -15.285   9.718  -4.430
  541    H    LYS  68           H        LYS  68 -11.575   8.525   3.082
  542    HA   LYS  68           HA       LYS  68 -11.925  11.394   3.618
  543    HB2  LYS  68           2HB      LYS  68 -13.946   9.150   3.807
  544    HB3  LYS  68           1HB      LYS  68 -14.257  10.824   4.243
  545    HG2  LYS  68           2HG      LYS  68 -13.738  11.469   1.899
  546    HG3  LYS  68           1HG      LYS  68 -13.617   9.753   1.503
  547    HD2  LYS  68           2HD      LYS  68 -15.940   9.434   2.219
  548    HD3  LYS  68           1HD      LYS  68 -16.053  11.149   2.616
  549    HE2  LYS  68           2HE      LYS  68 -15.529   9.993  -0.121
  550    HE3  LYS  68           1HE      LYS  68 -17.059  10.661   0.439
  551    HZ1  LYS  68           3HZ      LYS  68 -15.944  12.811   0.734
  552    HZ2  LYS  68           1HZ      LYS  68 -15.874  12.281  -0.873
  553    HZ3  LYS  68           2HZ      LYS  68 -14.507  12.160   0.121
  554    H    GLY  69           H        GLY  69 -10.159  11.119   5.178
  555    HA2  GLY  69           2HA      GLY  69 -10.972  11.205   7.791
  556    HA3  GLY  69           1HA      GLY  69 -10.589   9.512   7.513
  557    H    HIS  70           H        HIS  70  -9.094  12.580   6.492
  558    HA   HIS  70           HA       HIS  70  -6.479  11.466   7.100
  559    HB2  HIS  70           2HB      HIS  70  -7.419  13.928   5.674
  560    HB3  HIS  70           1HB      HIS  70  -5.766  13.850   6.275
  561    HD1  HIS  70           1HD      HIS  70  -7.258  13.575   3.221
  562    HD2  HIS  70           2HD      HIS  70  -4.830  10.943   5.346
  563    HE1  HIS  70           1HE      HIS  70  -6.255  12.035   1.504
  564    HE2  HIS  70           2HE      HIS  70  -4.629  10.598   2.787
  565    H    SER  71           H        SER  71  -8.670  13.938   8.282
  566    HA   SER  71           HA       SER  71  -6.793  14.513  10.467
  567    HB2  SER  71           2HB      SER  71  -9.245  16.038   9.557
  568    HB3  SER  71           1HB      SER  71  -8.174  16.519  10.873
  569    HG   SER  71           HG       SER  71  -6.483  16.694   9.364
  570    H    GLU  72           H        GLU  72  -7.099  13.113  12.072
  571    HA   GLU  72           HA       GLU  72  -9.868  12.654  12.984
  572    HB2  GLU  72           2HB      GLU  72  -9.080  10.475  13.871
  573    HB3  GLU  72           1HB      GLU  72  -8.968  10.587  12.121
  574    HG2  GLU  72           2HG      GLU  72  -6.586  11.001  12.270
  575    HG3  GLU  72           1HG      GLU  72  -6.677  10.976  14.031
  576    H    GLY  73           H        GLY  73  -9.768  11.830  15.399
  577    HA2  GLY  73           2HA      GLY  73  -9.219  12.275  17.598
  578    HA3  GLY  73           1HA      GLY  73  -7.698  12.952  17.031
  579    H    GLY  74           H        GLY  74 -10.661  14.107  15.705
  580    HA2  GLY  74           2HA      GLY  74 -11.339  16.182  17.414
  581    HA3  GLY  74           1HA      GLY  74 -10.053  16.790  16.378
  Start of MODEL   12
    1    H1   VAL   1           1HT      VAL   1  12.992  -1.579   3.634
    2    H2   VAL   1           2HT      VAL   1  14.142  -0.413   4.062
    3    H3   VAL   1           3HT      VAL   1  13.472  -0.404   2.508
    4    HA   VAL   1           HA       VAL   1  12.520   1.336   3.852
    5    HB   VAL   1           HB       VAL   1  10.577  -0.921   3.309
    6   HG11  VAL   1          2HG1      VAL   1   9.622   0.773   4.795
    7   HG12  VAL   1          3HG1      VAL   1   8.866   0.818   3.203
    8   HG13  VAL   1          1HG1      VAL   1  10.063   2.034   3.644
    9   HG21  VAL   1          1HG2      VAL   1  10.179   0.222   1.185
   10   HG22  VAL   1          2HG2      VAL   1  11.862  -0.279   1.335
   11   HG23  VAL   1          3HG2      VAL   1  11.419   1.410   1.587
   12    H    ASP   2           H        ASP   2  12.359   1.990   5.866
   13    HA   ASP   2           HA       ASP   2  11.892   0.043   7.996
   14    HB2  ASP   2           2HB      ASP   2  12.827   2.922   8.067
   15    HB3  ASP   2           1HB      ASP   2  12.565   1.930   9.499
   16    H    MET   3           H        MET   3  10.457   0.706   9.805
   17    HA   MET   3           HA       MET   3   7.961   1.715   8.694
   18    HB2  MET   3           2HB      MET   3   8.534   0.429  11.366
   19    HB3  MET   3           1HB      MET   3   6.942   0.783  10.711
   20    HG2  MET   3           2HG      MET   3   8.953  -1.122   9.556
   21    HG3  MET   3           1HG      MET   3   7.492  -1.554  10.437
   22    HE1  MET   3           3HE      MET   3   7.322  -2.281   6.402
   23    HE2  MET   3           1HE      MET   3   7.760  -3.035   7.935
   24    HE3  MET   3           2HE      MET   3   8.846  -1.864   7.185
   25    H    SER   4           H        SER   4  10.508   3.172  10.007
   26    HA   SER   4           HA       SER   4   9.294   4.599  12.198
   27    HB2  SER   4           2HB      SER   4  11.571   5.826  12.078
   28    HB3  SER   4           1HB      SER   4  11.559   4.130  12.564
   29    HG   SER   4           HG       SER   4  12.833   3.780  10.951
   30    H    ASN   5           H        ASN   5   9.261   4.883   8.919
   31    HA   ASN   5           HA       ASN   5   8.591   7.728   9.094
   32    HB2  ASN   5           2HB      ASN   5   9.460   7.885   6.714
   33    HB3  ASN   5           1HB      ASN   5  10.667   7.763   7.981
   34   HD21  ASN   5          1HD2      ASN   5   8.785   5.043   6.768
   35   HD22  ASN   5          2HD2      ASN   5  10.121   4.214   6.060
   36    H    VAL   6           H        VAL   6   7.399   4.948   8.955
   37    HA   VAL   6           HA       VAL   6   5.562   5.436   6.720
   38    HB   VAL   6           HB       VAL   6   7.090   3.110   7.537
   39   HG11  VAL   6          1HG1      VAL   6   5.430   1.428   6.981
   40   HG12  VAL   6          2HG1      VAL   6   4.182   2.676   6.923
   41   HG13  VAL   6          3HG1      VAL   6   5.005   2.315   8.445
   42   HG21  VAL   6          3HG2      VAL   6   6.783   2.528   5.217
   43   HG22  VAL   6          1HG2      VAL   6   7.184   4.243   5.373
   44   HG23  VAL   6          2HG2      VAL   6   5.519   3.748   5.056
   45    H    VAL   7           H        VAL   7   3.453   5.506   7.036
   46    HA   VAL   7           HA       VAL   7   2.524   5.508   9.809
   47    HB   VAL   7           HB       VAL   7   0.415   6.435   8.973
   48   HG11  VAL   7          1HG1      VAL   7   2.872   7.835   7.942
   49   HG12  VAL   7          2HG1      VAL   7   2.168   7.978   9.553
   50   HG13  VAL   7          3HG1      VAL   7   1.289   8.585   8.149
   51   HG21  VAL   7          3HG2      VAL   7   0.362   5.290   6.796
   52   HG22  VAL   7          1HG2      VAL   7   1.674   6.330   6.234
   53   HG23  VAL   7          2HG2      VAL   7   0.104   7.030   6.643
   54    H    LYS   8           H        LYS   8   2.284   3.532   6.993
   55    HA   LYS   8           HA       LYS   8   1.065   1.418   8.441
   56    HB2  LYS   8           2HB      LYS   8  -0.959   2.765   8.075
   57    HB3  LYS   8           1HB      LYS   8  -0.660   2.765   6.343
   58    HG2  LYS   8           2HG      LYS   8  -2.370   1.146   6.917
   59    HG3  LYS   8           1HG      LYS   8  -0.929   0.330   6.306
   60    HD2  LYS   8           2HD      LYS   8  -0.227  -0.078   8.647
   61    HD3  LYS   8           1HD      LYS   8  -1.753   0.620   9.191
   62    HE2  LYS   8           2HE      LYS   8  -3.000  -1.115   8.099
   63    HE3  LYS   8           1HE      LYS   8  -1.538  -1.749   7.343
   64    HZ1  LYS   8           3HZ      LYS   8  -2.133  -1.720  10.255
   65    HZ2  LYS   8           1HZ      LYS   8  -0.691  -2.282   9.557
   66    HZ3  LYS   8           2HZ      LYS   8  -2.155  -3.081   9.243
   67    H    THR   9           H        THR   9   1.518  -0.436   7.570
   68    HA   THR   9           HA       THR   9   2.482  -0.509   4.800
   69    HB   THR   9           HB       THR   9   3.263  -2.123   7.206
   70    HG1  THR   9           1HG      THR   9   4.575  -0.471   7.262
   71   HG21  THR   9          3HG2      THR   9   4.806  -3.371   5.764
   72   HG22  THR   9          1HG2      THR   9   4.130  -2.554   4.354
   73   HG23  THR   9          2HG2      THR   9   3.126  -3.647   5.305
   74    H    TYR  10           H        TYR  10   1.767  -2.133   3.473
   75    HA   TYR  10           HA       TYR  10  -0.418  -3.802   4.487
   76    HB2  TYR  10           2HB      TYR  10  -0.246  -2.212   1.965
   77    HB3  TYR  10           1HB      TYR  10  -1.225  -3.679   2.021
   78    HD1  TYR  10           2HD      TYR  10  -2.763  -3.861   4.125
   79    HD2  TYR  10           1HD      TYR  10  -1.271  -0.221   2.541
   80    HE1  TYR  10           2HE      TYR  10  -4.564  -2.662   5.251
   81    HE2  TYR  10           1HE      TYR  10  -3.075   1.018   3.668
   82    HH   TYR  10           HH       TYR  10  -5.043  -0.387   6.082
   83    H    ASP  11           H        ASP  11  -0.388  -5.809   4.138
   84    HA   ASP  11           HA       ASP  11   1.885  -6.834   2.591
   85    HB2  ASP  11           2HB      ASP  11   1.659  -7.422   5.098
   86    HB3  ASP  11           1HB      ASP  11   0.336  -8.470   4.590
   87    H    LEU  12           H        LEU  12   1.526  -7.917   0.910
   88    HA   LEU  12           HA       LEU  12  -1.208  -8.227  -0.056
   89    HB2  LEU  12           2HB      LEU  12   1.379  -8.922  -1.461
   90    HB3  LEU  12           1HB      LEU  12  -0.215  -8.883  -2.191
   91    HG   LEU  12           HG       LEU  12   1.500  -6.579  -1.317
   92   HD11  LEU  12          1HD1      LEU  12   1.150  -5.830  -3.581
   93   HD12  LEU  12          2HD1      LEU  12   0.054  -7.177  -3.886
   94   HD13  LEU  12          3HD1      LEU  12   1.762  -7.483  -3.583
   95   HD21  LEU  12          3HD2      LEU  12  -0.727  -6.173  -0.404
   96   HD22  LEU  12          1HD2      LEU  12  -1.435  -6.460  -1.994
   97   HD23  LEU  12          2HD2      LEU  12  -0.366  -5.079  -1.738
   98    H    GLN  13           H        GLN  13  -1.994 -10.325  -0.813
   99    HA   GLN  13           HA       GLN  13  -1.510 -12.300   1.148
  100    HB2  GLN  13           2HB      GLN  13  -3.650 -11.928  -0.144
  101    HB3  GLN  13           1HB      GLN  13  -2.883 -12.751  -1.498
  102    HG2  GLN  13           2HG      GLN  13  -2.617 -14.753  -0.169
  103    HG3  GLN  13           1HG      GLN  13  -3.303 -13.933   1.233
  104   HE21  GLN  13          1HE2      GLN  13  -4.498 -13.467  -2.002
  105   HE22  GLN  13          2HE2      GLN  13  -6.003 -14.285  -1.774
  106    H    ASP  14           H        ASP  14   0.297 -11.501  -1.495
  107    HA   ASP  14           HA       ASP  14   1.296 -14.210  -1.949
  108    HB2  ASP  14           2HB      ASP  14   0.771 -12.940  -3.963
  109    HB3  ASP  14           1HB      ASP  14   1.816 -11.626  -3.438
  110    H    GLY  15           H        GLY  15   1.929 -11.414  -0.154
  111    HA2  GLY  15           2HA      GLY  15   3.628 -11.704   1.574
  112    HA3  GLY  15           1HA      GLY  15   4.678 -12.365   0.340
  113    H    SER  16           H        SER  16   3.378 -10.012  -1.339
  114    HA   SER  16           HA       SER  16   5.713  -8.384  -1.064
  115    HB2  SER  16           2HB      SER  16   3.257  -7.714  -2.675
  116    HB3  SER  16           1HB      SER  16   4.914  -7.192  -2.956
  117    HG   SER  16           HG       SER  16   4.624  -9.915  -2.877
  118    H    LYS  17           H        LYS  17   5.791  -6.165  -0.491
  119    HA   LYS  17           HA       LYS  17   3.708  -5.468   1.465
  120    HB2  LYS  17           2HB      LYS  17   6.709  -5.166   1.589
  121    HB3  LYS  17           1HB      LYS  17   5.606  -4.401   2.735
  122    HG2  LYS  17           2HG      LYS  17   4.830  -6.502   3.518
  123    HG3  LYS  17           1HG      LYS  17   5.663  -7.354   2.216
  124    HD2  LYS  17           2HD      LYS  17   7.795  -6.812   3.139
  125    HD3  LYS  17           1HD      LYS  17   7.060  -5.748   4.343
  126    HE2  LYS  17           2HE      LYS  17   7.745  -8.067   5.131
  127    HE3  LYS  17           1HE      LYS  17   6.106  -7.544   5.512
  128    HZ1  LYS  17           3HZ      LYS  17   6.816  -9.273   3.202
  129    HZ2  LYS  17           1HZ      LYS  17   5.250  -8.856   3.717
  130    HZ3  LYS  17           2HZ      LYS  17   6.232  -9.844   4.683
  131    H    VAL  18           H        VAL  18   2.722  -3.625   1.209
  132    HA   VAL  18           HA       VAL  18   4.003  -1.478  -0.368
  133    HB   VAL  18           HB       VAL  18   1.083  -1.981   0.306
  134   HG11  VAL  18          1HG1      VAL  18   0.574  -0.051  -1.125
  135   HG12  VAL  18          2HG1      VAL  18   2.298   0.267  -1.317
  136   HG13  VAL  18          3HG1      VAL  18   1.544   0.420   0.272
  137   HG21  VAL  18          3HG2      VAL  18   1.952  -3.465  -1.423
  138   HG22  VAL  18          1HG2      VAL  18   2.538  -2.077  -2.340
  139   HG23  VAL  18          2HG2      VAL  18   0.804  -2.309  -2.104
  140    H    HIS  19           H        HIS  19   4.234   0.565   0.651
  141    HA   HIS  19           HA       HIS  19   3.115   0.733   3.369
  142    HB2  HIS  19           2HB      HIS  19   5.736   2.060   2.852
  143    HB3  HIS  19           1HB      HIS  19   5.044   1.506   4.369
  144    HD1  HIS  19           1HD      HIS  19   5.561  -0.912   5.085
  145    HD2  HIS  19           2HD      HIS  19   7.093   0.186   1.410
  146    HE1  HIS  19           1HE      HIS  19   7.171  -2.744   4.457
  147    HE2  HIS  19           2HE      HIS  19   8.249  -1.961   2.316
  148    H    VAL  20           H        VAL  20   2.174   2.571   3.875
  149    HA   VAL  20           HA       VAL  20   2.394   4.808   1.997
  150    HB   VAL  20           HB       VAL  20   0.514   4.493   4.350
  151   HG11  VAL  20          1HG1      VAL  20   0.931   6.818   3.771
  152   HG12  VAL  20          2HG1      VAL  20  -0.707   6.360   3.303
  153   HG13  VAL  20          3HG1      VAL  20   0.559   6.484   2.080
  154   HG21  VAL  20          3HG2      VAL  20   0.073   2.808   2.625
  155   HG22  VAL  20          1HG2      VAL  20  -0.031   4.083   1.409
  156   HG23  VAL  20          2HG2      VAL  20  -1.223   4.004   2.706
  157    H    PHE  21           H        PHE  21   3.869   6.262   2.462
  158    HA   PHE  21           HA       PHE  21   5.257   6.085   4.968
  159    HB2  PHE  21           2HB      PHE  21   5.686   7.575   2.405
  160    HB3  PHE  21           1HB      PHE  21   6.637   7.956   3.836
  161    HD1  PHE  21           1HD      PHE  21   5.782   5.330   1.430
  162    HD2  PHE  21           2HD      PHE  21   8.478   6.532   4.514
  163    HE1  PHE  21           1HE      PHE  21   7.256   3.436   0.888
  164    HE2  PHE  21           2HE      PHE  21   9.943   4.646   3.963
  165    HZ   PHE  21           HZ       PHE  21   9.499   3.216   2.211
  166    H    LYS  22           H        LYS  22   5.718   7.839   6.314
  167    HA   LYS  22           HA       LYS  22   3.461   9.139   7.273
  168    HB2  LYS  22           2HB      LYS  22   4.943  10.224   8.822
  169    HB3  LYS  22           1HB      LYS  22   5.567   8.605   8.533
  170    HG2  LYS  22           2HG      LYS  22   7.298   9.385   7.172
  171    HG3  LYS  22           1HG      LYS  22   6.578  10.994   7.044
  172    HD2  LYS  22           2HD      LYS  22   6.847  10.921   9.681
  173    HD3  LYS  22           1HD      LYS  22   8.120   9.769   9.272
  174    HE2  LYS  22           2HE      LYS  22   7.882  12.560   8.157
  175    HE3  LYS  22           1HE      LYS  22   8.941  12.092   9.484
  176    HZ1  LYS  22           3HZ      LYS  22  10.167  10.670   8.026
  177    HZ2  LYS  22           1HZ      LYS  22  10.075  12.210   7.323
  178    HZ3  LYS  22           2HZ      LYS  22   9.093  10.953   6.741
  179    H    ASP  23           H        ASP  23   5.696  10.145   4.821
  180    HA   ASP  23           HA       ASP  23   4.915  12.939   5.040
  181    HB2  ASP  23           2HB      ASP  23   6.717  13.398   3.492
  182    HB3  ASP  23           1HB      ASP  23   7.325  12.340   4.759
  183    H    GLY  24           H        GLY  24   3.712  10.244   3.725
  184    HA2  GLY  24           2HA      GLY  24   1.805  10.401   2.390
  185    HA3  GLY  24           1HA      GLY  24   2.509  11.784   1.595
  186    H    LYS  25           H        LYS  25   5.106   9.832   1.476
  187    HA   LYS  25           HA       LYS  25   4.547   9.015  -1.189
  188    HB2  LYS  25           2HB      LYS  25   6.856   8.818   0.671
  189    HB3  LYS  25           1HB      LYS  25   6.818   7.779  -0.749
  190    HG2  LYS  25           2HG      LYS  25   6.572   9.749  -2.176
  191    HG3  LYS  25           1HG      LYS  25   6.649  10.778  -0.747
  192    HD2  LYS  25           2HD      LYS  25   8.799   8.836  -1.521
  193    HD3  LYS  25           1HD      LYS  25   8.800  10.530  -2.009
  194    HE2  LYS  25           2HE      LYS  25   8.871  11.239   0.292
  195    HE3  LYS  25           1HE      LYS  25   8.697   9.577   0.849
  196    HZ1  LYS  25           3HZ      LYS  25  10.846   9.049   0.154
  197    HZ2  LYS  25           1HZ      LYS  25  11.003  10.564   0.886
  198    HZ3  LYS  25           2HZ      LYS  25  11.001  10.440  -0.805
  199    H    MET  26           H        MET  26   5.268   6.703  -1.802
  200    HA   MET  26           HA       MET  26   4.391   4.712   0.147
  201    HB2  MET  26           2HB      MET  26   3.452   4.688  -2.726
  202    HB3  MET  26           1HB      MET  26   3.032   3.531  -1.476
  203    HG2  MET  26           2HG      MET  26   1.143   4.805  -1.547
  204    HG3  MET  26           1HG      MET  26   2.044   5.631  -0.276
  205    HE1  MET  26           3HE      MET  26   1.197   5.627  -4.117
  206    HE2  MET  26           1HE      MET  26   2.954   5.791  -4.087
  207    HE3  MET  26           2HE      MET  26   1.951   7.132  -4.639
  208    H    GLY  27           H        GLY  27   5.338   2.689  -0.115
  209    HA2  GLY  27           2HA      GLY  27   7.229   2.414  -2.351
  210    HA3  GLY  27           1HA      GLY  27   7.763   2.119  -0.703
  211    H    MET  28           H        MET  28   7.539   0.317  -3.102
  212    HA   MET  28           HA       MET  28   5.825  -1.731  -1.861
  213    HB2  MET  28           2HB      MET  28   4.986  -0.965  -4.061
  214    HB3  MET  28           1HB      MET  28   6.511  -1.450  -4.792
  215    HG2  MET  28           2HG      MET  28   6.073  -3.774  -4.110
  216    HG3  MET  28           1HG      MET  28   4.521  -3.267  -3.446
  217    HE1  MET  28           3HE      MET  28   4.868  -5.628  -5.574
  218    HE2  MET  28           1HE      MET  28   3.503  -5.294  -6.640
  219    HE3  MET  28           2HE      MET  28   3.319  -5.134  -4.893
  220    H    GLU  29           H        GLU  29   6.658  -3.661  -1.458
  221    HA   GLU  29           HA       GLU  29   9.335  -4.333  -2.471
  222    HB2  GLU  29           2HB      GLU  29   8.332  -4.435   0.369
  223    HB3  GLU  29           1HB      GLU  29   9.591  -5.535  -0.178
  224    HG2  GLU  29           2HG      GLU  29  11.090  -3.809  -0.602
  225    HG3  GLU  29           1HG      GLU  29   9.829  -2.576  -0.545
  226    H    ASN  30           H        ASN  30   9.688  -6.624  -2.671
  227    HA   ASN  30           HA       ASN  30   7.188  -8.034  -3.130
  228    HB2  ASN  30           2HB      ASN  30   8.556  -9.781  -4.183
  229    HB3  ASN  30           1HB      ASN  30   8.899  -8.199  -4.866
  230   HD21  ASN  30          1HD2      ASN  30  10.874  -9.026  -5.637
  231   HD22  ASN  30          2HD2      ASN  30  12.225  -9.244  -4.579
  232    H    LYS  31           H        LYS  31   7.021 -10.325  -2.417
  233    HA   LYS  31           HA       LYS  31   7.146 -10.735   0.263
  234    HB2  LYS  31           2HB      LYS  31   7.060 -13.194  -0.305
  235    HB3  LYS  31           1HB      LYS  31   5.826 -12.172  -1.021
  236    HG2  LYS  31           2HG      LYS  31   7.141 -12.113  -3.116
  237    HG3  LYS  31           1HG      LYS  31   8.279 -13.251  -2.384
  238    HD2  LYS  31           2HD      LYS  31   6.654 -14.947  -2.251
  239    HD3  LYS  31           1HD      LYS  31   5.337 -13.817  -2.573
  240    HE2  LYS  31           2HE      LYS  31   6.236 -13.479  -4.844
  241    HE3  LYS  31           1HE      LYS  31   7.483 -14.680  -4.507
  242    HZ1  LYS  31           3HZ      LYS  31   4.551 -15.180  -4.491
  243    HZ2  LYS  31           1HZ      LYS  31   5.760 -16.332  -4.176
  244    HZ3  LYS  31           2HZ      LYS  31   5.632 -15.642  -5.716
  245    H    PHE  32           H        PHE  32   9.906 -10.643  -1.703
  246    HA   PHE  32           HA       PHE  32  11.437 -12.309   0.154
  247    HB2  PHE  32           2HB      PHE  32  12.326 -11.036  -2.443
  248    HB3  PHE  32           1HB      PHE  32  13.255 -12.172  -1.471
  249    HD1  PHE  32           1HD      PHE  32  12.193 -14.493  -1.081
  250    HD2  PHE  32           2HD      PHE  32  10.981 -11.812  -4.154
  251    HE1  PHE  32           1HE      PHE  32  11.209 -16.373  -2.327
  252    HE2  PHE  32           2HE      PHE  32   9.992 -13.684  -5.405
  253    HZ   PHE  32           HZ       PHE  32  10.079 -15.967  -4.473
  254    H    GLY  33           H        GLY  33  10.468  -9.154  -0.094
  255    HA2  GLY  33           2HA      GLY  33  11.037  -7.495   1.433
  256    HA3  GLY  33           1HA      GLY  33  12.511  -8.371   1.815
  257    H    LYS  34           H        LYS  34  11.758  -7.891  -1.480
  258    HA   LYS  34           HA       LYS  34  14.006  -6.016  -1.640
  259    HB2  LYS  34           2HB      LYS  34  12.756  -7.768  -3.744
  260    HB3  LYS  34           1HB      LYS  34  14.068  -6.637  -4.044
  261    HG2  LYS  34           2HG      LYS  34  14.252  -8.780  -1.982
  262    HG3  LYS  34           1HG      LYS  34  14.703  -9.062  -3.665
  263    HD2  LYS  34           2HD      LYS  34  15.862  -6.957  -1.836
  264    HD3  LYS  34           1HD      LYS  34  16.643  -8.478  -2.266
  265    HE2  LYS  34           2HE      LYS  34  16.833  -7.817  -4.554
  266    HE3  LYS  34           1HE      LYS  34  15.822  -6.397  -4.287
  267    HZ1  LYS  34           3HZ      LYS  34  17.501  -5.433  -2.931
  268    HZ2  LYS  34           1HZ      LYS  34  18.225  -5.907  -4.387
  269    HZ3  LYS  34           2HZ      LYS  34  18.451  -6.838  -2.984
  270    H    SER  35           H        SER  35  13.880  -4.136  -2.469
  271    HA   SER  35           HA       SER  35  11.315  -2.891  -2.602
  272    HB2  SER  35           2HB      SER  35  12.751  -0.847  -3.157
  273    HB3  SER  35           1HB      SER  35  13.014  -1.618  -1.592
  274    HG   SER  35           HG       SER  35  14.928  -1.063  -2.983
  275    H    MET  36           H        MET  36  10.109  -2.441  -4.321
  276    HA   MET  36           HA       MET  36  11.317  -2.573  -6.986
  277    HB2  MET  36           2HB      MET  36   9.383  -3.958  -7.769
  278    HB3  MET  36           1HB      MET  36  10.484  -4.798  -6.688
  279    HG2  MET  36           2HG      MET  36   8.945  -4.455  -4.833
  280    HG3  MET  36           1HG      MET  36   7.842  -3.588  -5.901
  281    HE1  MET  36           3HE      MET  36   7.846  -5.171  -8.559
  282    HE2  MET  36           1HE      MET  36   6.361  -4.695  -7.735
  283    HE3  MET  36           2HE      MET  36   6.567  -6.356  -8.295
  284    H    ASN  37           H        ASN  37   9.467  -2.045  -8.654
  285    HA   ASN  37           HA       ASN  37   8.270   0.459  -7.707
  286    HB2  ASN  37           2HB      ASN  37   8.796  -0.594 -10.491
  287    HB3  ASN  37           1HB      ASN  37   7.871   0.866 -10.178
  288   HD21  ASN  37          1HD2      ASN  37  10.669  -0.078  -8.288
  289   HD22  ASN  37          2HD2      ASN  37  11.707   1.183  -8.851
  290    H    MET  38           H        MET  38   6.156   0.723  -7.518
  291    HA   MET  38           HA       MET  38   4.451  -1.590  -7.886
  292    HB2  MET  38           2HB      MET  38   4.290  -0.309  -5.815
  293    HB3  MET  38           1HB      MET  38   3.900   1.147  -6.720
  294    HG2  MET  38           2HG      MET  38   1.774   0.351  -7.301
  295    HG3  MET  38           1HG      MET  38   2.175  -1.303  -6.843
  296    HE1  MET  38           3HE      MET  38   1.915   2.366  -5.356
  297    HE2  MET  38           1HE      MET  38   3.359   1.664  -4.627
  298    HE3  MET  38           2HE      MET  38   1.943   2.002  -3.632
  299    HA   PRO  39           HA       PRO  39   3.334  -0.155 -11.932
  300    HB2  PRO  39           2HB      PRO  39   1.571  -2.142 -12.494
  301    HB3  PRO  39           1HB      PRO  39   3.323  -2.367 -12.546
  302    HG2  PRO  39           2HG      PRO  39   1.383  -3.089 -10.383
  303    HG3  PRO  39           1HG      PRO  39   2.742  -4.031 -11.027
  304    HD2  PRO  39           2HD      PRO  39   2.902  -2.643  -8.710
  305    HD3  PRO  39           1HD      PRO  39   4.297  -2.871  -9.783
  306    H    GLU  40           H        GLU  40   1.667   0.951 -12.886
  307    HA   GLU  40           HA       GLU  40  -0.489   1.733 -11.102
  308    HB2  GLU  40           2HB      GLU  40   0.820   3.438 -12.369
  309    HB3  GLU  40           1HB      GLU  40   0.170   2.772 -13.863
  310    HG2  GLU  40           2HG      GLU  40  -2.077   3.336 -13.170
  311    HG3  GLU  40           1HG      GLU  40  -1.466   3.937 -11.635
  312    H    GLY  41           H        GLY  41  -2.656   1.441 -11.511
  313    HA2  GLY  41           2HA      GLY  41  -4.517   0.917 -12.878
  314    HA3  GLY  41           1HA      GLY  41  -3.437   0.113 -14.004
  315    H    LYS  42           H        LYS  42  -2.211  -1.151 -11.439
  316    HA   LYS  42           HA       LYS  42  -3.986  -3.457 -11.507
  317    HB2  LYS  42           2HB      LYS  42  -1.158  -3.036 -10.617
  318    HB3  LYS  42           1HB      LYS  42  -2.040  -4.499 -10.202
  319    HG2  LYS  42           2HG      LYS  42  -1.526  -3.500 -12.996
  320    HG3  LYS  42           1HG      LYS  42  -0.651  -4.805 -12.192
  321    HD2  LYS  42           2HD      LYS  42  -2.710  -6.091 -12.008
  322    HD3  LYS  42           1HD      LYS  42  -3.613  -4.775 -12.762
  323    HE2  LYS  42           2HE      LYS  42  -1.363  -6.293 -14.068
  324    HE3  LYS  42           1HE      LYS  42  -3.077  -6.623 -14.312
  325    HZ1  LYS  42           3HZ      LYS  42  -1.770  -4.021 -14.914
  326    HZ2  LYS  42           1HZ      LYS  42  -3.371  -4.463 -15.270
  327    HZ3  LYS  42           2HZ      LYS  42  -2.080  -5.229 -16.066
  328    H    VAL  43           H        VAL  43  -5.430  -3.765 -10.002
  329    HA   VAL  43           HA       VAL  43  -4.970  -2.574  -7.370
  330    HB   VAL  43           HB       VAL  43  -7.184  -2.163  -8.326
  331   HG11  VAL  43          1HG1      VAL  43  -8.832  -3.978  -8.505
  332   HG12  VAL  43          2HG1      VAL  43  -7.541  -5.147  -8.226
  333   HG13  VAL  43          3HG1      VAL  43  -7.514  -4.130  -9.668
  334   HG21  VAL  43          3HG2      VAL  43  -7.204  -3.945  -5.900
  335   HG22  VAL  43          1HG2      VAL  43  -8.533  -2.896  -6.396
  336   HG23  VAL  43          2HG2      VAL  43  -6.983  -2.195  -5.931
  337    H    MET  44           H        MET  44  -4.229  -3.714  -5.739
  338    HA   MET  44           HA       MET  44  -3.813  -6.591  -6.226
  339    HB2  MET  44           2HB      MET  44  -2.130  -4.633  -4.651
  340    HB3  MET  44           1HB      MET  44  -1.807  -6.356  -4.782
  341    HG2  MET  44           2HG      MET  44  -1.493  -6.142  -7.175
  342    HG3  MET  44           1HG      MET  44  -1.876  -4.425  -7.086
  343    HE1  MET  44           3HE      MET  44  -0.339  -2.623  -5.877
  344    HE2  MET  44           1HE      MET  44   1.146  -3.029  -5.016
  345    HE3  MET  44           2HE      MET  44  -0.411  -3.570  -4.391
  346    H    GLU  45           H        GLU  45  -3.879  -8.020  -4.415
  347    HA   GLU  45           HA       GLU  45  -5.784  -7.090  -2.405
  348    HB2  GLU  45           2HB      GLU  45  -6.618  -8.865  -3.797
  349    HB3  GLU  45           1HB      GLU  45  -5.184  -9.835  -3.501
  350    HG2  GLU  45           2HG      GLU  45  -5.793 -10.183  -1.241
  351    HG3  GLU  45           1HG      GLU  45  -7.123  -9.029  -1.357
  352    H    THR  46           H        THR  46  -5.556  -7.579  -0.300
  353    HA   THR  46           HA       THR  46  -2.793  -7.963   0.616
  354    HB   THR  46           HB       THR  46  -3.534  -7.094   2.772
  355    HG1  THR  46           1HG      THR  46  -5.687  -6.450   3.061
  356   HG21  THR  46          3HG2      THR  46  -4.118  -4.806   2.085
  357   HG22  THR  46          1HG2      THR  46  -4.476  -5.390   0.460
  358   HG23  THR  46          2HG2      THR  46  -2.829  -5.477   1.088
  359    H    ARG  47           H        ARG  47  -2.483  -9.277   2.625
  360    HA   ARG  47           HA       ARG  47  -2.979 -11.845   2.567
  361    HB2  ARG  47           2HB      ARG  47  -3.038 -10.086   4.998
  362    HB3  ARG  47           1HB      ARG  47  -3.061 -11.835   5.102
  363    HG2  ARG  47           2HG      ARG  47  -0.906 -11.907   3.916
  364    HG3  ARG  47           1HG      ARG  47  -0.881 -10.137   3.919
  365    HD2  ARG  47           2HD      ARG  47  -0.932 -10.117   6.346
  366    HD3  ARG  47           1HD      ARG  47  -1.046 -11.874   6.383
  367    HE   ARG  47           HE       ARG  47   1.279 -11.016   4.980
  368   HH11  ARG  47          1HH1      ARG  47  -0.055 -11.376   8.201
  369   HH12  ARG  47          2HH1      ARG  47   1.490 -11.625   8.954
  370   HH21  ARG  47          1HH2      ARG  47   3.317 -11.344   5.977
  371   HH22  ARG  47          2HH2      ARG  47   3.398 -11.612   7.697
  372    H    ASP  48           H        ASP  48  -5.397  -9.620   4.012
  373    HA   ASP  48           HA       ASP  48  -6.990 -11.949   4.706
  374    HB2  ASP  48           2HB      ASP  48  -6.649 -10.219   6.424
  375    HB3  ASP  48           1HB      ASP  48  -7.472  -9.051   5.395
  376    H    GLY  49           H        GLY  49  -7.145  -9.147   2.599
  377    HA2  GLY  49           2HA      GLY  49  -8.365 -10.009   0.490
  378    HA3  GLY  49           1HA      GLY  49  -9.721 -10.134   1.598
  379    H    THR  50           H        THR  50  -7.315  -7.563   1.675
  380    HA   THR  50           HA       THR  50  -9.419  -5.629   1.001
  381    HB   THR  50           HB       THR  50  -6.660  -5.125   2.156
  382    HG1  THR  50           1HG      THR  50  -9.091  -5.093   3.639
  383   HG21  THR  50          3HG2      THR  50  -9.128  -3.385   2.078
  384   HG22  THR  50          1HG2      THR  50  -7.687  -3.177   1.084
  385   HG23  THR  50          2HG2      THR  50  -7.589  -2.963   2.833
  386    H    LYS  51           H        LYS  51  -8.870  -3.955  -0.612
  387    HA   LYS  51           HA       LYS  51  -6.691  -4.826  -2.391
  388    HB2  LYS  51           2HB      LYS  51  -9.449  -3.905  -3.182
  389    HB3  LYS  51           1HB      LYS  51  -8.117  -4.098  -4.313
  390    HG2  LYS  51           2HG      LYS  51  -7.954  -6.489  -3.546
  391    HG3  LYS  51           1HG      LYS  51  -9.470  -6.227  -2.684
  392    HD2  LYS  51           2HD      LYS  51 -10.591  -5.681  -4.764
  393    HD3  LYS  51           1HD      LYS  51  -9.072  -5.849  -5.649
  394    HE2  LYS  51           2HE      LYS  51  -8.968  -8.219  -4.894
  395    HE3  LYS  51           1HE      LYS  51 -10.562  -8.013  -4.173
  396    HZ1  LYS  51           3HZ      LYS  51 -10.623  -9.047  -6.388
  397    HZ2  LYS  51           1HZ      LYS  51  -9.956  -7.639  -7.055
  398    HZ3  LYS  51           2HZ      LYS  51 -11.491  -7.590  -6.331
  399    H    ILE  52           H        ILE  52  -5.434  -3.339  -3.316
  400    HA   ILE  52           HA       ILE  52  -5.982  -0.485  -2.959
  401    HB   ILE  52           HB       ILE  52  -3.655  -0.094  -2.194
  402   HG12  ILE  52          2HG1      ILE  52  -3.576  -3.105  -1.854
  403   HG13  ILE  52          1HG1      ILE  52  -2.666  -2.187  -3.049
  404   HG21  ILE  52          1HG2      ILE  52  -4.006  -0.690   0.118
  405   HG22  ILE  52          2HG2      ILE  52  -5.183  -1.917  -0.345
  406   HG23  ILE  52          3HG2      ILE  52  -5.544  -0.211  -0.600
  407   HD11  ILE  52          3HD1      ILE  52  -1.465  -1.053  -1.247
  408   HD12  ILE  52          1HD1      ILE  52  -1.258  -2.803  -1.184
  409   HD13  ILE  52          2HD1      ILE  52  -2.359  -2.004  -0.063
  410    H    ILE  53           H        ILE  53  -4.332   0.846  -4.207
  411    HA   ILE  53           HA       ILE  53  -2.818  -0.440  -6.281
  412    HB   ILE  53           HB       ILE  53  -4.859  -0.801  -7.455
  413   HG12  ILE  53          2HG1      ILE  53  -3.379   1.620  -8.466
  414   HG13  ILE  53          1HG1      ILE  53  -3.247  -0.049  -9.000
  415   HG21  ILE  53          1HG2      ILE  53  -5.560   2.081  -6.909
  416   HG22  ILE  53          2HG2      ILE  53  -6.307   0.666  -6.168
  417   HG23  ILE  53          3HG2      ILE  53  -6.503   0.963  -7.897
  418   HD11  ILE  53          3HD1      ILE  53  -5.423   0.082 -10.041
  419   HD12  ILE  53          1HD1      ILE  53  -4.383   1.384 -10.624
  420   HD13  ILE  53          2HD1      ILE  53  -5.636   1.723  -9.431
  421    H    MET  54           H        MET  54  -1.638   1.051  -7.611
  422    HA   MET  54           HA       MET  54  -1.482   3.764  -6.464
  423    HB2  MET  54           2HB      MET  54   0.588   2.272  -6.437
  424    HB3  MET  54           1HB      MET  54   0.581   2.363  -8.191
  425    HG2  MET  54           2HG      MET  54   0.718   4.795  -6.437
  426    HG3  MET  54           1HG      MET  54   2.146   3.919  -6.975
  427    HE1  MET  54           3HE      MET  54   2.003   4.400 -10.852
  428    HE2  MET  54           1HE      MET  54   1.334   3.050  -9.934
  429    HE3  MET  54           2HE      MET  54   2.906   3.723  -9.497
  430    H    LYS  55           H        LYS  55  -2.467   5.246  -7.652
  431    HA   LYS  55           HA       LYS  55  -2.380   5.008 -10.575
  432    HB2  LYS  55           2HB      LYS  55  -4.631   4.312  -9.464
  433    HB3  LYS  55           1HB      LYS  55  -4.841   6.035  -9.194
  434    HG2  LYS  55           2HG      LYS  55  -5.979   5.564 -11.192
  435    HG3  LYS  55           1HG      LYS  55  -4.465   6.326 -11.685
  436    HD2  LYS  55           2HD      LYS  55  -3.500   4.109 -12.112
  437    HD3  LYS  55           1HD      LYS  55  -5.022   3.359 -11.637
  438    HE2  LYS  55           2HE      LYS  55  -4.987   3.414 -14.011
  439    HE3  LYS  55           1HE      LYS  55  -6.121   4.656 -13.488
  440    HZ1  LYS  55           3HZ      LYS  55  -3.300   5.166 -14.284
  441    HZ2  LYS  55           1HZ      LYS  55  -4.463   6.336 -13.884
  442    HZ3  LYS  55           2HZ      LYS  55  -4.648   5.394 -15.284
  443    H    GLY  56           H        GLY  56  -1.613   6.810 -11.476
  444    HA2  GLY  56           2HA      GLY  56  -1.067   9.024 -11.775
  445    HA3  GLY  56           1HA      GLY  56  -2.313   9.424 -10.600
  446    H    ASN  57           H        ASN  57   0.501   7.382 -10.089
  447    HA   ASN  57           HA       ASN  57   2.258   7.487  -8.667
  448    HB2  ASN  57           2HB      ASN  57   2.759   9.509 -10.077
  449    HB3  ASN  57           1HB      ASN  57   1.972  10.493  -8.847
  450   HD21  ASN  57          1HD2      ASN  57   3.799   7.675  -7.988
  451   HD22  ASN  57          2HD2      ASN  57   5.147   8.510  -7.294
  452    H    GLU  58           H        GLU  58  -0.451   7.416  -7.658
  453    HA   GLU  58           HA       GLU  58   0.111   8.201  -4.902
  454    HB2  GLU  58           2HB      GLU  58  -2.408   8.938  -6.389
  455    HB3  GLU  58           1HB      GLU  58  -2.258   8.987  -4.639
  456    HG2  GLU  58           2HG      GLU  58  -0.353  10.576  -4.931
  457    HG3  GLU  58           1HG      GLU  58  -0.747  10.635  -6.647
  458    H    ILE  59           H        ILE  59  -1.335   7.124  -3.358
  459    HA   ILE  59           HA       ILE  59  -1.944   4.446  -4.363
  460    HB   ILE  59           HB       ILE  59  -0.588   5.404  -2.026
  461   HG12  ILE  59          2HG1      ILE  59   0.093   3.577  -3.598
  462   HG13  ILE  59          1HG1      ILE  59   0.221   3.158  -1.894
  463   HG21  ILE  59          1HG2      ILE  59  -1.586   3.992  -0.303
  464   HG22  ILE  59          2HG2      ILE  59  -2.896   3.570  -1.406
  465   HG23  ILE  59          3HG2      ILE  59  -2.708   5.235  -0.856
  466   HD11  ILE  59          3HD1      ILE  59  -1.875   1.917  -2.048
  467   HD12  ILE  59          1HD1      ILE  59  -0.670   1.313  -3.184
  468   HD13  ILE  59          2HD1      ILE  59  -1.993   2.330  -3.760
  469    H    PHE  60           H        PHE  60  -3.971   3.885  -4.626
  470    HA   PHE  60           HA       PHE  60  -6.131   5.059  -3.078
  471    HB2  PHE  60           2HB      PHE  60  -7.074   4.459  -5.064
  472    HB3  PHE  60           1HB      PHE  60  -5.848   3.252  -5.400
  473    HD1  PHE  60           1HD      PHE  60  -6.137   0.933  -4.373
  474    HD2  PHE  60           2HD      PHE  60  -9.196   3.880  -4.307
  475    HE1  PHE  60           1HE      PHE  60  -7.807  -0.797  -3.823
  476    HE2  PHE  60           2HE      PHE  60 -10.859   2.167  -3.771
  477    HZ   PHE  60           HZ       PHE  60 -10.114  -0.317  -3.855
  478    H    ARG  61           H        ARG  61  -6.223   4.547  -1.047
  479    HA   ARG  61           HA       ARG  61  -5.549   1.790  -0.288
  480    HB2  ARG  61           2HB      ARG  61  -4.052   3.629   0.649
  481    HB3  ARG  61           1HB      ARG  61  -5.451   4.221   1.527
  482    HG2  ARG  61           2HG      ARG  61  -4.560   1.389   1.844
  483    HG3  ARG  61           1HG      ARG  61  -3.742   2.687   2.709
  484    HD2  ARG  61           2HD      ARG  61  -6.707   2.141   2.830
  485    HD3  ARG  61           1HD      ARG  61  -5.536   1.578   4.022
  486    HE   ARG  61           HE       ARG  61  -6.006   4.438   3.463
  487   HH11  ARG  61          1HH1      ARG  61  -5.507   1.788   5.686
  488   HH12  ARG  61          2HH1      ARG  61  -5.544   2.792   7.108
  489   HH21  ARG  61          1HH2      ARG  61  -6.055   5.779   5.326
  490   HH22  ARG  61          2HH2      ARG  61  -5.851   5.075   6.901
  491    H    LEU  62           H        LEU  62  -7.349   0.744   0.047
  492    HA   LEU  62           HA       LEU  62  -9.634   0.335  -0.029
  493    HB2  LEU  62           2HB      LEU  62  -9.244   2.200   2.257
  494    HB3  LEU  62           1HB      LEU  62 -10.879   1.786   1.780
  495    HG   LEU  62           HG       LEU  62 -10.229   0.363   3.562
  496   HD11  LEU  62          1HD1      LEU  62 -10.144  -1.120   0.939
  497   HD12  LEU  62          2HD1      LEU  62 -11.595  -0.606   1.795
  498   HD13  LEU  62          3HD1      LEU  62 -10.535  -1.826   2.510
  499   HD21  LEU  62          3HD2      LEU  62  -7.815   0.529   3.386
  500   HD22  LEU  62          1HD2      LEU  62  -7.840  -0.396   1.885
  501   HD23  LEU  62          2HD2      LEU  62  -8.304  -1.165   3.401
  502    H    ASP  63           H        ASP  63  -8.814   3.724  -0.142
  503    HA   ASP  63           HA       ASP  63  -9.682   5.518  -1.189
  504    HB2  ASP  63           2HB      ASP  63 -10.425   4.667  -3.174
  505    HB3  ASP  63           1HB      ASP  63 -11.404   3.431  -2.388
  506    H    GLU  64           H        GLU  64 -12.288   3.490  -0.008
  507    HA   GLU  64           HA       GLU  64 -13.748   5.618   1.141
  508    HB2  GLU  64           2HB      GLU  64 -15.019   3.795   2.300
  509    HB3  GLU  64           1HB      GLU  64 -14.917   3.620   0.556
  510    HG2  GLU  64           2HG      GLU  64 -14.438   1.496   1.110
  511    HG3  GLU  64           1HG      GLU  64 -12.807   2.150   1.236
  512    H    ALA  65           H        ALA  65 -11.008   3.865   2.224
  513    HA   ALA  65           HA       ALA  65 -11.285   4.226   5.019
  514    HB1  ALA  65           1HB      ALA  65  -9.622   2.746   3.715
  515    HB2  ALA  65           2HB      ALA  65  -9.084   3.506   5.213
  516    HB3  ALA  65           3HB      ALA  65  -8.620   4.196   3.656
  517    H    LEU  66           H        LEU  66 -10.254   6.237   2.430
  518    HA   LEU  66           HA       LEU  66  -9.238   8.296   4.226
  519    HB2  LEU  66           2HB      LEU  66  -9.463   8.286   1.217
  520    HB3  LEU  66           1HB      LEU  66  -8.591   9.461   2.187
  521    HG   LEU  66           HG       LEU  66  -7.636   6.828   2.809
  522   HD11  LEU  66          1HD1      LEU  66  -7.621   7.553  -0.116
  523   HD12  LEU  66          2HD1      LEU  66  -8.402   6.150   0.623
  524   HD13  LEU  66          3HD1      LEU  66  -6.643   6.285   0.621
  525   HD21  LEU  66          3HD2      LEU  66  -5.494   7.820   2.111
  526   HD22  LEU  66          1HD2      LEU  66  -6.394   8.871   3.206
  527   HD23  LEU  66          2HD2      LEU  66  -6.366   9.216   1.476
  528    H    ARG  67           H        ARG  67 -11.946   7.633   2.118
  529    HA   ARG  67           HA       ARG  67 -13.172  10.197   2.224
  530    HB2  ARG  67           2HB      ARG  67 -14.683   7.606   1.993
  531    HB3  ARG  67           1HB      ARG  67 -15.085   9.164   1.295
  532    HG2  ARG  67           2HG      ARG  67 -12.674   7.615   0.443
  533    HG3  ARG  67           1HG      ARG  67 -14.275   7.353  -0.253
  534    HD2  ARG  67           2HD      ARG  67 -14.373   9.566  -1.074
  535    HD3  ARG  67           1HD      ARG  67 -12.980  10.059  -0.117
  536    HE   ARG  67           HE       ARG  67 -12.584   8.025  -2.194
  537   HH11  ARG  67          1HH1      ARG  67 -12.150  11.309  -1.051
  538   HH12  ARG  67          2HH1      ARG  67 -10.929  11.699  -2.230
  539   HH21  ARG  67          1HH2      ARG  67 -10.988   8.517  -3.747
  540   HH22  ARG  67          2HH2      ARG  67 -10.267  10.101  -3.776
  541    H    LYS  68           H        LYS  68 -13.975   7.155   3.815
  542    HA   LYS  68           HA       LYS  68 -16.039   8.518   5.334
  543    HB2  LYS  68           2HB      LYS  68 -15.504   5.560   5.320
  544    HB3  LYS  68           1HB      LYS  68 -17.030   6.399   5.569
  545    HG2  LYS  68           2HG      LYS  68 -15.538   6.309   2.934
  546    HG3  LYS  68           1HG      LYS  68 -16.870   5.234   3.380
  547    HD2  LYS  68           2HD      LYS  68 -18.359   7.158   3.581
  548    HD3  LYS  68           1HD      LYS  68 -17.023   8.239   3.177
  549    HE2  LYS  68           2HE      LYS  68 -16.798   7.101   0.999
  550    HE3  LYS  68           1HE      LYS  68 -18.185   6.091   1.404
  551    HZ1  LYS  68           3HZ      LYS  68 -18.818   7.942  -0.003
  552    HZ2  LYS  68           1HZ      LYS  68 -18.220   9.049   1.135
  553    HZ3  LYS  68           2HZ      LYS  68 -19.555   8.075   1.520
  554    H    GLY  69           H        GLY  69 -16.109   8.625   7.529
  555    HA2  GLY  69           2HA      GLY  69 -15.449   8.213   9.732
  556    HA3  GLY  69           1HA      GLY  69 -14.119   7.234   9.133
  557    H    HIS  70           H        HIS  70 -14.274  10.166   7.515
  558    HA   HIS  70           HA       HIS  70 -12.342  11.384   9.380
  559    HB2  HIS  70           2HB      HIS  70 -12.337  11.503   6.354
  560    HB3  HIS  70           1HB      HIS  70 -11.293  12.477   7.384
  561    HD1  HIS  70           1HD      HIS  70  -9.102  11.454   8.043
  562    HD2  HIS  70           2HD      HIS  70 -11.814   8.639   6.606
  563    HE1  HIS  70           1HE      HIS  70  -7.826   9.290   7.884
  564    HE2  HIS  70           2HE      HIS  70  -9.493   7.598   7.037
  565    H    SER  71           H        SER  71 -13.764  12.716   6.440
  566    HA   SER  71           HA       SER  71 -15.025  14.552   6.035
  567    HB2  SER  71           2HB      SER  71 -16.284  13.809   8.688
  568    HB3  SER  71           1HB      SER  71 -17.000  14.851   7.458
  569    HG   SER  71           HG       SER  71 -16.607  12.879   6.041
  570    H    GLU  72           H        GLU  72 -16.169  16.349   8.073
  571    HA   GLU  72           HA       GLU  72 -13.911  17.387   9.548
  572    HB2  GLU  72           2HB      GLU  72 -13.563  18.377   7.321
  573    HB3  GLU  72           1HB      GLU  72 -15.199  19.023   7.352
  574    HG2  GLU  72           2HG      GLU  72 -13.629  20.766   7.869
  575    HG3  GLU  72           1HG      GLU  72 -14.599  20.403   9.294
  576    H    GLY  73           H        GLY  73 -16.865  18.900   8.285
  577    HA2  GLY  73           2HA      GLY  73 -18.156  18.623  10.884
  578    HA3  GLY  73           1HA      GLY  73 -17.819  20.261  10.346
  579    H    GLY  74           H        GLY  74 -18.572  17.769   8.055
  580    HA2  GLY  74           2HA      GLY  74 -21.341  17.986   7.921
  581    HA3  GLY  74           1HA      GLY  74 -20.675  19.257   6.902
  Start of MODEL   13
    1    H1   VAL   1           1HT      VAL   1  11.358  -2.874   4.738
    2    H2   VAL   1           2HT      VAL   1  11.787  -2.331   6.282
    3    H3   VAL   1           3HT      VAL   1  12.152  -1.388   4.922
    4    HA   VAL   1           HA       VAL   1   9.801  -1.074   4.471
    5    HB   VAL   1           HB       VAL   1   9.381  -2.452   7.134
    6   HG11  VAL   1          2HG1      VAL   1   6.993  -2.167   6.627
    7   HG12  VAL   1          3HG1      VAL   1   7.423  -1.268   5.171
    8   HG13  VAL   1          1HG1      VAL   1   7.833  -0.621   6.758
    9   HG21  VAL   1          1HG2      VAL   1   8.197  -4.181   5.870
   10   HG22  VAL   1          2HG2      VAL   1   9.891  -4.083   5.391
   11   HG23  VAL   1          3HG2      VAL   1   8.641  -3.384   4.359
   12    H    ASP   2           H        ASP   2  11.036  -1.166   7.797
   13    HA   ASP   2           HA       ASP   2  11.274   0.370   9.421
   14    HB2  ASP   2           2HB      ASP   2  12.630   1.704   7.950
   15    HB3  ASP   2           1HB      ASP   2  11.204   2.360   7.148
   16    H    MET   3           H        MET   3   9.612   0.272  10.693
   17    HA   MET   3           HA       MET   3   6.977   1.098   9.833
   18    HB2  MET   3           2HB      MET   3   8.032  -0.093  12.389
   19    HB3  MET   3           1HB      MET   3   6.344   0.345  12.159
   20    HG2  MET   3           2HG      MET   3   7.865  -1.585  10.426
   21    HG3  MET   3           1HG      MET   3   6.810  -2.042  11.764
   22    HE1  MET   3           3HE      MET   3   6.772  -2.705   8.460
   23    HE2  MET   3           1HE      MET   3   5.030  -2.898   8.265
   24    HE3  MET   3           2HE      MET   3   5.846  -3.603   9.662
   25    H    SER   4           H        SER   4   9.391   2.964  10.551
   26    HA   SER   4           HA       SER   4   8.240   4.501  12.742
   27    HB2  SER   4           2HB      SER   4  10.775   5.150  11.248
   28    HB3  SER   4           1HB      SER   4  10.339   5.570  12.905
   29    HG   SER   4           HG       SER   4  11.511   3.306  11.920
   30    H    ASN   5           H        ASN   5   8.928   4.754   9.301
   31    HA   ASN   5           HA       ASN   5   7.781   7.461   9.299
   32    HB2  ASN   5           2HB      ASN   5   9.757   7.834   8.290
   33    HB3  ASN   5           1HB      ASN   5   9.948   6.163   7.770
   34   HD21  ASN   5          1HD2      ASN   5   9.008   5.515   5.808
   35   HD22  ASN   5          2HD2      ASN   5   8.591   6.683   4.594
   36    H    VAL   6           H        VAL   6   6.957   4.334   8.618
   37    HA   VAL   6           HA       VAL   6   5.189   5.067   6.417
   38    HB   VAL   6           HB       VAL   6   6.563   2.922   6.472
   39   HG11  VAL   6          1HG1      VAL   6   5.583   1.001   7.598
   40   HG12  VAL   6          2HG1      VAL   6   4.362   2.042   8.332
   41   HG13  VAL   6          3HG1      VAL   6   6.063   2.242   8.757
   42   HG21  VAL   6          3HG2      VAL   6   4.725   1.609   5.431
   43   HG22  VAL   6          1HG2      VAL   6   4.906   3.254   4.813
   44   HG23  VAL   6          2HG2      VAL   6   3.607   2.873   5.947
   45    H    VAL   7           H        VAL   7   2.942   5.144   6.572
   46    HA   VAL   7           HA       VAL   7   1.887   5.130   9.306
   47    HB   VAL   7           HB       VAL   7  -0.194   6.108   8.332
   48   HG11  VAL   7          1HG1      VAL   7   1.498   7.525   9.324
   49   HG12  VAL   7          2HG1      VAL   7   0.743   8.328   7.946
   50   HG13  VAL   7          3HG1      VAL   7   2.348   7.617   7.781
   51   HG21  VAL   7          3HG2      VAL   7  -0.240   6.959   6.091
   52   HG22  VAL   7          1HG2      VAL   7   0.117   5.233   6.023
   53   HG23  VAL   7          2HG2      VAL   7   1.414   6.415   5.800
   54    H    LYS   8           H        LYS   8   1.762   3.311   6.371
   55    HA   LYS   8           HA       LYS   8   0.427   1.187   7.767
   56    HB2  LYS   8           2HB      LYS   8  -1.419   2.684   6.863
   57    HB3  LYS   8           1HB      LYS   8  -0.906   2.190   5.259
   58    HG2  LYS   8           2HG      LYS   8  -2.734   0.814   5.842
   59    HG3  LYS   8           1HG      LYS   8  -1.286  -0.188   6.000
   60    HD2  LYS   8           2HD      LYS   8  -1.288   0.097   8.389
   61    HD3  LYS   8           1HD      LYS   8  -2.613   1.256   8.293
   62    HE2  LYS   8           2HE      LYS   8  -4.040  -0.553   7.349
   63    HE3  LYS   8           1HE      LYS   8  -2.719  -1.686   7.640
   64    HZ1  LYS   8           3HZ      LYS   8  -4.361  -1.707   9.427
   65    HZ2  LYS   8           1HZ      LYS   8  -4.072  -0.062   9.729
   66    HZ3  LYS   8           2HZ      LYS   8  -2.845  -1.204   9.990
   67    H    THR   9           H        THR   9   0.986  -0.711   7.018
   68    HA   THR   9           HA       THR   9   2.362  -0.849   4.428
   69    HB   THR   9           HB       THR   9   3.125  -2.088   7.052
   70    HG1  THR   9           1HG      THR   9   4.500  -0.519   6.831
   71   HG21  THR   9          3HG2      THR   9   3.080  -3.948   5.463
   72   HG22  THR   9          1HG2      THR   9   4.738  -3.515   5.880
   73   HG23  THR   9          2HG2      THR   9   4.058  -3.007   4.335
   74    H    TYR  10           H        TYR  10   1.779  -2.437   3.098
   75    HA   TYR  10           HA       TYR  10  -0.354  -4.231   4.006
   76    HB2  TYR  10           2HB      TYR  10  -0.113  -2.611   1.515
   77    HB3  TYR  10           1HB      TYR  10  -1.010  -4.130   1.487
   78    HD1  TYR  10           2HD      TYR  10  -2.710  -4.436   3.424
   79    HD2  TYR  10           1HD      TYR  10  -1.256  -0.674   2.098
   80    HE1  TYR  10           2HE      TYR  10  -4.657  -3.354   4.422
   81    HE2  TYR  10           1HE      TYR  10  -3.211   0.439   3.096
   82    HH   TYR  10           HH       TYR  10  -5.480  -1.281   5.123
   83    H    ASP  11           H        ASP  11  -0.234  -6.228   3.659
   84    HA   ASP  11           HA       ASP  11   2.068  -7.210   2.130
   85    HB2  ASP  11           2HB      ASP  11   1.903  -7.915   4.530
   86    HB3  ASP  11           1HB      ASP  11   0.412  -8.749   4.128
   87    H    LEU  12           H        LEU  12   1.761  -8.240   0.393
   88    HA   LEU  12           HA       LEU  12  -0.776  -8.064  -0.897
   89    HB2  LEU  12           2HB      LEU  12   1.860  -9.208  -1.800
   90    HB3  LEU  12           1HB      LEU  12   0.441  -9.117  -2.831
   91    HG   LEU  12           HG       LEU  12   2.194  -6.912  -1.833
   92   HD11  LEU  12          1HD1      LEU  12   0.882  -7.414  -4.493
   93   HD12  LEU  12          2HD1      LEU  12   2.502  -7.949  -4.058
   94   HD13  LEU  12          3HD1      LEU  12   2.132  -6.226  -4.129
   95   HD21  LEU  12          3HD2      LEU  12   0.525  -5.248  -2.422
   96   HD22  LEU  12          1HD2      LEU  12  -0.068  -6.278  -1.118
   97   HD23  LEU  12          2HD2      LEU  12  -0.651  -6.519  -2.766
   98    H    GLN  13           H        GLN  13   0.441 -10.426   1.106
   99    HA   GLN  13           HA       GLN  13  -0.824 -12.197   1.913
  100    HB2  GLN  13           2HB      GLN  13  -2.834 -11.406   0.682
  101    HB3  GLN  13           1HB      GLN  13  -2.232 -12.200  -0.765
  102    HG2  GLN  13           2HG      GLN  13  -2.311 -14.357   0.513
  103    HG3  GLN  13           1HG      GLN  13  -3.152 -13.478   1.788
  104   HE21  GLN  13          1HE2      GLN  13  -4.532 -11.765  -0.174
  105   HE22  GLN  13          2HE2      GLN  13  -5.763 -12.750  -0.886
  106    H    ASP  14           H        ASP  14   0.721 -11.930  -1.126
  107    HA   ASP  14           HA       ASP  14   1.513 -14.738  -1.153
  108    HB2  ASP  14           2HB      ASP  14   0.838 -13.659  -3.293
  109    HB3  ASP  14           1HB      ASP  14   2.171 -12.522  -3.117
  110    H    GLY  15           H        GLY  15   2.571 -11.618  -0.240
  111    HA2  GLY  15           2HA      GLY  15   4.386 -12.037   1.536
  112    HA3  GLY  15           1HA      GLY  15   5.311 -12.579   0.154
  113    H    SER  16           H        SER  16   4.137 -10.450  -1.580
  114    HA   SER  16           HA       SER  16   6.228  -8.597  -1.156
  115    HB2  SER  16           2HB      SER  16   3.804  -8.075  -2.859
  116    HB3  SER  16           1HB      SER  16   5.445  -7.484  -3.087
  117    HG   SER  16           HG       SER  16   4.483  -9.505  -4.291
  118    H    LYS  17           H        LYS  17   6.083  -6.363  -0.618
  119    HA   LYS  17           HA       LYS  17   3.824  -5.822   1.190
  120    HB2  LYS  17           2HB      LYS  17   6.687  -5.034   1.715
  121    HB3  LYS  17           1HB      LYS  17   5.331  -4.983   2.839
  122    HG2  LYS  17           2HG      LYS  17   5.205  -7.478   2.654
  123    HG3  LYS  17           1HG      LYS  17   6.711  -7.416   1.733
  124    HD2  LYS  17           2HD      LYS  17   7.834  -6.367   3.624
  125    HD3  LYS  17           1HD      LYS  17   6.327  -6.404   4.547
  126    HE2  LYS  17           2HE      LYS  17   7.865  -8.781   3.511
  127    HE3  LYS  17           1HE      LYS  17   7.750  -8.261   5.193
  128    HZ1  LYS  17           3HZ      LYS  17   5.415  -8.760   5.190
  129    HZ2  LYS  17           1HZ      LYS  17   6.264 -10.121   4.644
  130    HZ3  LYS  17           2HZ      LYS  17   5.441  -9.137   3.540
  131    H    VAL  18           H        VAL  18   2.814  -3.988   0.831
  132    HA   VAL  18           HA       VAL  18   4.147  -1.854  -0.710
  133    HB   VAL  18           HB       VAL  18   1.212  -2.389  -0.171
  134   HG11  VAL  18          1HG1      VAL  18   0.761  -0.523  -1.725
  135   HG12  VAL  18          2HG1      VAL  18   2.487  -0.161  -1.767
  136   HG13  VAL  18          3HG1      VAL  18   1.586   0.014  -0.262
  137   HG21  VAL  18          3HG2      VAL  18   1.113  -2.731  -2.629
  138   HG22  VAL  18          1HG2      VAL  18   2.123  -3.914  -1.800
  139   HG23  VAL  18          2HG2      VAL  18   2.869  -2.584  -2.685
  140    H    HIS  19           H        HIS  19   4.276   0.233   0.187
  141    HA   HIS  19           HA       HIS  19   3.274   0.465   2.943
  142    HB2  HIS  19           2HB      HIS  19   5.895   1.653   2.073
  143    HB3  HIS  19           1HB      HIS  19   5.287   1.432   3.700
  144    HD1  HIS  19           1HD      HIS  19   4.577  -1.664   3.256
  145    HD2  HIS  19           2HD      HIS  19   8.179   0.218   2.493
  146    HE1  HIS  19           1HE      HIS  19   6.301  -3.494   3.238
  147    HE2  HIS  19           2HE      HIS  19   8.475  -2.346   2.658
  148    H    VAL  20           H        VAL  20   2.125   2.226   3.283
  149    HA   VAL  20           HA       VAL  20   2.425   4.474   1.414
  150    HB   VAL  20           HB       VAL  20   0.278   4.065   3.516
  151   HG11  VAL  20          1HG1      VAL  20   0.720   6.424   2.996
  152   HG12  VAL  20          2HG1      VAL  20  -0.858   5.923   2.388
  153   HG13  VAL  20          3HG1      VAL  20   0.501   6.087   1.276
  154   HG21  VAL  20          3HG2      VAL  20   0.114   2.402   1.712
  155   HG22  VAL  20          1HG2      VAL  20   0.116   3.704   0.519
  156   HG23  VAL  20          2HG2      VAL  20  -1.222   3.553   1.658
  157    H    PHE  21           H        PHE  21   3.792   5.973   2.065
  158    HA   PHE  21           HA       PHE  21   4.804   5.727   4.786
  159    HB2  PHE  21           2HB      PHE  21   5.896   7.165   2.357
  160    HB3  PHE  21           1HB      PHE  21   6.697   7.102   3.921
  161    HD1  PHE  21           2HD      PHE  21   7.212   4.730   4.857
  162    HD2  PHE  21           1HD      PHE  21   6.351   5.499   0.745
  163    HE1  PHE  21           2HE      PHE  21   8.365   2.664   4.228
  164    HE2  PHE  21           1HE      PHE  21   7.514   3.438   0.129
  165    HZ   PHE  21           HZ       PHE  21   8.522   2.016   1.864
  166    H    LYS  22           H        LYS  22   5.444   7.748   5.947
  167    HA   LYS  22           HA       LYS  22   3.186   9.437   6.292
  168    HB2  LYS  22           2HB      LYS  22   6.010   9.483   7.355
  169    HB3  LYS  22           1HB      LYS  22   4.866  10.762   7.744
  170    HG2  LYS  22           2HG      LYS  22   3.457   9.276   8.911
  171    HG3  LYS  22           1HG      LYS  22   4.287   7.863   8.264
  172    HD2  LYS  22           2HD      LYS  22   4.900   8.287  10.601
  173    HD3  LYS  22           1HD      LYS  22   6.287   8.435   9.523
  174    HE2  LYS  22           2HE      LYS  22   6.279  10.210  11.182
  175    HE3  LYS  22           1HE      LYS  22   6.062  10.865   9.560
  176    HZ1  LYS  22           3HZ      LYS  22   3.806  10.312  11.410
  177    HZ2  LYS  22           1HZ      LYS  22   3.757  11.185   9.956
  178    HZ3  LYS  22           2HZ      LYS  22   4.568  11.823  11.301
  179    H    ASP  23           H        ASP  23   5.923   9.550   4.278
  180    HA   ASP  23           HA       ASP  23   5.999  12.360   3.787
  181    HB2  ASP  23           2HB      ASP  23   8.022  11.049   3.515
  182    HB3  ASP  23           1HB      ASP  23   7.214   9.973   2.383
  183    H    GLY  24           H        GLY  24   4.068   9.793   2.970
  184    HA2  GLY  24           2HA      GLY  24   2.108   9.952   1.779
  185    HA3  GLY  24           1HA      GLY  24   2.750  11.349   0.955
  186    H    LYS  25           H        LYS  25   5.257   9.368   0.680
  187    HA   LYS  25           HA       LYS  25   4.547   8.453  -1.927
  188    HB2  LYS  25           2HB      LYS  25   6.984   8.259  -0.214
  189    HB3  LYS  25           1HB      LYS  25   6.823   7.219  -1.623
  190    HG2  LYS  25           2HG      LYS  25   6.386   9.338  -2.939
  191    HG3  LYS  25           1HG      LYS  25   6.957  10.198  -1.514
  192    HD2  LYS  25           2HD      LYS  25   8.491   8.090  -3.008
  193    HD3  LYS  25           1HD      LYS  25   8.743   9.828  -3.164
  194    HE2  LYS  25           2HE      LYS  25   8.988   8.356  -0.550
  195    HE3  LYS  25           1HE      LYS  25  10.349   8.594  -1.644
  196    HZ1  LYS  25           3HZ      LYS  25  10.356  10.297   0.020
  197    HZ2  LYS  25           1HZ      LYS  25   8.746  10.722  -0.318
  198    HZ3  LYS  25           2HZ      LYS  25   9.961  11.008  -1.466
  199    H    MET  26           H        MET  26   5.137   6.198  -2.506
  200    HA   MET  26           HA       MET  26   4.333   4.254  -0.482
  201    HB2  MET  26           2HB      MET  26   3.276   4.559  -3.275
  202    HB3  MET  26           1HB      MET  26   3.282   2.990  -2.481
  203    HG2  MET  26           2HG      MET  26   1.152   3.869  -2.113
  204    HG3  MET  26           1HG      MET  26   2.019   4.086  -0.598
  205    HE1  MET  26           3HE      MET  26   2.373   6.178  -3.888
  206    HE2  MET  26           1HE      MET  26   1.257   7.511  -3.592
  207    HE3  MET  26           2HE      MET  26   0.634   5.877  -3.826
  208    H    GLY  27           H        GLY  27   5.463   2.406  -0.466
  209    HA2  GLY  27           2HA      GLY  27   7.478   2.046  -2.584
  210    HA3  GLY  27           1HA      GLY  27   7.899   1.905  -0.885
  211    H    MET  28           H        MET  28   7.829  -0.028  -3.238
  212    HA   MET  28           HA       MET  28   6.120  -2.054  -1.973
  213    HB2  MET  28           2HB      MET  28   5.349  -1.334  -4.213
  214    HB3  MET  28           1HB      MET  28   6.889  -1.847  -4.887
  215    HG2  MET  28           2HG      MET  28   6.425  -4.144  -4.248
  216    HG3  MET  28           1HG      MET  28   4.902  -3.644  -3.515
  217    HE1  MET  28           3HE      MET  28   3.775  -5.642  -6.701
  218    HE2  MET  28           1HE      MET  28   3.619  -5.494  -4.949
  219    HE3  MET  28           2HE      MET  28   5.159  -5.979  -5.660
  220    H    GLU  29           H        GLU  29   6.983  -3.891  -1.385
  221    HA   GLU  29           HA       GLU  29   9.733  -4.542  -2.232
  222    HB2  GLU  29           2HB      GLU  29   8.418  -4.801   0.472
  223    HB3  GLU  29           1HB      GLU  29   9.781  -5.822   0.026
  224    HG2  GLU  29           2HG      GLU  29  11.196  -3.933  -0.247
  225    HG3  GLU  29           1HG      GLU  29   9.847  -2.818  -0.025
  226    H    ASN  30           H        ASN  30  10.105  -6.753  -2.658
  227    HA   ASN  30           HA       ASN  30   7.697  -8.264  -3.236
  228    HB2  ASN  30           2HB      ASN  30   9.254  -9.933  -4.226
  229    HB3  ASN  30           1HB      ASN  30   9.434  -8.327  -4.922
  230   HD21  ASN  30          1HD2      ASN  30  11.482  -9.272  -5.609
  231   HD22  ASN  30          2HD2      ASN  30  12.835  -9.207  -4.537
  232    H    LYS  31           H        LYS  31   7.595 -10.590  -2.579
  233    HA   LYS  31           HA       LYS  31   7.859 -11.086   0.113
  234    HB2  LYS  31           2HB      LYS  31   7.642 -13.494  -0.513
  235    HB3  LYS  31           1HB      LYS  31   6.425 -12.433  -1.206
  236    HG2  LYS  31           2HG      LYS  31   7.822 -12.389  -3.298
  237    HG3  LYS  31           1HG      LYS  31   8.780 -13.687  -2.579
  238    HD2  LYS  31           2HD      LYS  31   6.821 -15.093  -2.409
  239    HD3  LYS  31           1HD      LYS  31   5.797 -13.782  -3.000
  240    HE2  LYS  31           2HE      LYS  31   7.150 -13.810  -5.113
  241    HE3  LYS  31           1HE      LYS  31   7.933 -15.272  -4.511
  242    HZ1  LYS  31           3HZ      LYS  31   5.769 -16.347  -4.416
  243    HZ2  LYS  31           1HZ      LYS  31   6.099 -15.802  -5.987
  244    HZ3  LYS  31           2HZ      LYS  31   5.021 -14.943  -4.995
  245    H    PHE  32           H        PHE  32  10.484 -10.510  -1.710
  246    HA   PHE  32           HA       PHE  32  12.171 -12.424  -0.266
  247    HB2  PHE  32           2HB      PHE  32  12.821 -10.738  -2.702
  248    HB3  PHE  32           1HB      PHE  32  13.927 -11.857  -1.912
  249    HD1  PHE  32           1HD      PHE  32  13.578 -14.274  -2.088
  250    HD2  PHE  32           2HD      PHE  32  11.071 -11.516  -4.140
  251    HE1  PHE  32           1HE      PHE  32  12.763 -16.096  -3.529
  252    HE2  PHE  32           2HE      PHE  32  10.250 -13.331  -5.582
  253    HZ   PHE  32           HZ       PHE  32  11.066 -15.636  -5.250
  254    H    GLY  33           H        GLY  33  10.963  -9.338  -0.133
  255    HA2  GLY  33           2HA      GLY  33  11.316  -7.876   1.598
  256    HA3  GLY  33           1HA      GLY  33  12.758  -8.767   2.022
  257    H    LYS  34           H        LYS  34  12.344  -7.573  -1.227
  258    HA   LYS  34           HA       LYS  34  14.094  -5.326  -0.518
  259    HB2  LYS  34           2HB      LYS  34  15.471  -5.654  -2.458
  260    HB3  LYS  34           1HB      LYS  34  15.437  -7.133  -1.519
  261    HG2  LYS  34           2HG      LYS  34  15.262  -7.947  -3.643
  262    HG3  LYS  34           1HG      LYS  34  13.560  -7.815  -3.202
  263    HD2  LYS  34           2HD      LYS  34  13.272  -5.860  -4.479
  264    HD3  LYS  34           1HD      LYS  34  15.010  -5.590  -4.609
  265    HE2  LYS  34           2HE      LYS  34  13.524  -7.899  -5.853
  266    HE3  LYS  34           1HE      LYS  34  13.978  -6.419  -6.699
  267    HZ1  LYS  34           3HZ      LYS  34  15.807  -8.443  -5.521
  268    HZ2  LYS  34           1HZ      LYS  34  16.321  -6.936  -6.106
  269    HZ3  LYS  34           2HZ      LYS  34  15.615  -8.055  -7.162
  270    H    SER  35           H        SER  35  14.160  -3.610  -2.081
  271    HA   SER  35           HA       SER  35  11.455  -2.804  -2.569
  272    HB2  SER  35           2HB      SER  35  12.631  -0.669  -3.363
  273    HB3  SER  35           1HB      SER  35  12.848  -1.133  -1.675
  274    HG   SER  35           HG       SER  35  14.854  -0.644  -2.439
  275    H    MET  36           H        MET  36  10.357  -2.835  -4.402
  276    HA   MET  36           HA       MET  36  11.817  -3.403  -6.901
  277    HB2  MET  36           2HB      MET  36   9.909  -4.871  -7.555
  278    HB3  MET  36           1HB      MET  36  10.829  -5.479  -6.185
  279    HG2  MET  36           2HG      MET  36   9.136  -4.761  -4.653
  280    HG3  MET  36           1HG      MET  36   8.250  -3.951  -5.944
  281    HE1  MET  36           3HE      MET  36   6.878  -5.155  -7.790
  282    HE2  MET  36           1HE      MET  36   6.885  -6.900  -8.056
  283    HE3  MET  36           2HE      MET  36   8.352  -5.962  -8.331
  284    H    ASN  37           H        ASN  37   9.932  -3.301  -8.744
  285    HA   ASN  37           HA       ASN  37   9.130  -0.521  -8.740
  286    HB2  ASN  37           2HB      ASN  37   8.833  -2.705 -10.812
  287    HB3  ASN  37           1HB      ASN  37   8.315  -1.044 -11.058
  288   HD21  ASN  37          1HD2      ASN  37  11.017  -3.192 -10.762
  289   HD22  ASN  37          2HD2      ASN  37  12.218  -2.092 -11.349
  290    H    MET  38           H        MET  38   7.132   0.247  -8.411
  291    HA   MET  38           HA       MET  38   5.046  -1.669  -7.689
  292    HB2  MET  38           2HB      MET  38   5.614   0.062  -6.035
  293    HB3  MET  38           1HB      MET  38   5.218   1.313  -7.205
  294    HG2  MET  38           2HG      MET  38   2.901   0.589  -7.231
  295    HG3  MET  38           1HG      MET  38   3.285  -0.715  -6.111
  296    HE1  MET  38           3HE      MET  38   1.342   0.057  -4.471
  297    HE2  MET  38           1HE      MET  38   0.924   1.336  -5.610
  298    HE3  MET  38           2HE      MET  38   1.148   1.715  -3.901
  299    HA   PRO  39           HA       PRO  39   3.080  -0.872 -11.605
  300    HB2  PRO  39           2HB      PRO  39   0.802  -2.271 -10.374
  301    HB3  PRO  39           1HB      PRO  39   1.736  -2.700 -11.811
  302    HG2  PRO  39           2HG      PRO  39   1.935  -4.086  -9.512
  303    HG3  PRO  39           1HG      PRO  39   3.316  -3.860 -10.599
  304    HD2  PRO  39           2HD      PRO  39   2.664  -2.454  -8.040
  305    HD3  PRO  39           1HD      PRO  39   4.236  -3.004  -8.657
  306    H    GLU  40           H        GLU  40   1.390   0.452 -12.367
  307    HA   GLU  40           HA       GLU  40   0.435   2.359 -10.422
  308    HB2  GLU  40           2HB      GLU  40   1.294   3.130 -12.606
  309    HB3  GLU  40           1HB      GLU  40  -0.032   2.295 -13.404
  310    HG2  GLU  40           2HG      GLU  40  -1.606   3.711 -12.062
  311    HG3  GLU  40           1HG      GLU  40  -0.208   4.643 -11.537
  312    H    GLY  41           H        GLY  41  -1.507   1.276 -13.165
  313    HA2  GLY  41           2HA      GLY  41  -3.832   1.488 -11.474
  314    HA3  GLY  41           1HA      GLY  41  -3.811   1.204 -13.202
  315    H    LYS  42           H        LYS  42  -2.218  -0.730 -10.717
  316    HA   LYS  42           HA       LYS  42  -3.972  -2.967 -11.454
  317    HB2  LYS  42           2HB      LYS  42  -1.173  -2.876 -10.349
  318    HB3  LYS  42           1HB      LYS  42  -2.128  -4.352 -10.404
  319    HG2  LYS  42           2HG      LYS  42  -1.598  -2.697 -12.845
  320    HG3  LYS  42           1HG      LYS  42  -0.499  -3.972 -12.305
  321    HD2  LYS  42           2HD      LYS  42  -2.162  -5.642 -12.583
  322    HD3  LYS  42           1HD      LYS  42  -3.435  -4.434 -12.780
  323    HE2  LYS  42           2HE      LYS  42  -2.615  -3.789 -14.900
  324    HE3  LYS  42           1HE      LYS  42  -1.116  -4.690 -14.677
  325    HZ1  LYS  42           3HZ      LYS  42  -2.734  -5.792 -16.161
  326    HZ2  LYS  42           1HZ      LYS  42  -3.805  -5.940 -14.856
  327    HZ3  LYS  42           2HZ      LYS  42  -2.309  -6.740 -14.823
  328    H    VAL  43           H        VAL  43  -5.463  -3.503 -10.044
  329    HA   VAL  43           HA       VAL  43  -5.280  -2.515  -7.327
  330    HB   VAL  43           HB       VAL  43  -7.470  -2.421  -8.383
  331   HG11  VAL  43          1HG1      VAL  43  -7.340  -4.329  -9.863
  332   HG12  VAL  43          2HG1      VAL  43  -8.770  -4.443  -8.838
  333   HG13  VAL  43          3HG1      VAL  43  -7.352  -5.427  -8.484
  334   HG21  VAL  43          3HG2      VAL  43  -7.375  -2.637  -5.967
  335   HG22  VAL  43          1HG2      VAL  43  -7.383  -4.396  -6.105
  336   HG23  VAL  43          2HG2      VAL  43  -8.795  -3.464  -6.606
  337    H    MET  44           H        MET  44  -4.363  -3.558  -5.741
  338    HA   MET  44           HA       MET  44  -3.593  -6.354  -6.212
  339    HB2  MET  44           2HB      MET  44  -2.353  -4.180  -4.532
  340    HB3  MET  44           1HB      MET  44  -1.867  -5.867  -4.421
  341    HG2  MET  44           2HG      MET  44  -1.164  -5.859  -6.726
  342    HG3  MET  44           1HG      MET  44  -1.774  -4.220  -6.940
  343    HE1  MET  44           3HE      MET  44  -0.896  -2.749  -4.303
  344    HE2  MET  44           1HE      MET  44  -0.672  -2.073  -5.917
  345    HE3  MET  44           2HE      MET  44   0.674  -2.105  -4.776
  346    H    GLU  45           H        GLU  45  -3.820  -7.897  -4.650
  347    HA   GLU  45           HA       GLU  45  -5.848  -7.321  -2.640
  348    HB2  GLU  45           2HB      GLU  45  -6.282  -9.131  -4.234
  349    HB3  GLU  45           1HB      GLU  45  -4.777  -9.917  -3.785
  350    HG2  GLU  45           2HG      GLU  45  -5.609 -10.425  -1.627
  351    HG3  GLU  45           1HG      GLU  45  -7.062  -9.462  -1.891
  352    H    THR  46           H        THR  46  -5.570  -8.106  -0.491
  353    HA   THR  46           HA       THR  46  -2.734  -8.409   0.286
  354    HB   THR  46           HB       THR  46  -3.144  -7.040   2.281
  355    HG1  THR  46           1HG      THR  46  -5.609  -6.321   1.049
  356   HG21  THR  46          3HG2      THR  46  -3.855  -5.615  -0.287
  357   HG22  THR  46          1HG2      THR  46  -2.221  -5.998   0.252
  358   HG23  THR  46          2HG2      THR  46  -3.210  -4.866   1.174
  359    H    ARG  47           H        ARG  47  -2.386  -9.301   2.454
  360    HA   ARG  47           HA       ARG  47  -3.770 -11.669   2.971
  361    HB2  ARG  47           2HB      ARG  47  -2.630 -11.486   5.253
  362    HB3  ARG  47           1HB      ARG  47  -1.598 -11.535   3.833
  363    HG2  ARG  47           2HG      ARG  47  -0.601  -9.862   4.997
  364    HG3  ARG  47           1HG      ARG  47  -1.757  -8.910   4.065
  365    HD2  ARG  47           2HD      ARG  47  -1.906  -8.109   6.272
  366    HD3  ARG  47           1HD      ARG  47  -3.315  -9.148   6.052
  367    HE   ARG  47           HE       ARG  47  -1.087 -10.564   7.146
  368   HH11  ARG  47          1HH1      ARG  47  -3.751  -8.433   7.964
  369   HH12  ARG  47          2HH1      ARG  47  -3.792  -8.912   9.635
  370   HH21  ARG  47          1HH2      ARG  47  -1.127 -11.194   9.334
  371   HH22  ARG  47          2HH2      ARG  47  -2.314 -10.499  10.407
  372    H    ASP  48           H        ASP  48  -4.455  -8.449   3.945
  373    HA   ASP  48           HA       ASP  48  -6.008  -9.287   6.263
  374    HB2  ASP  48           2HB      ASP  48  -4.438  -7.386   6.411
  375    HB3  ASP  48           1HB      ASP  48  -5.413  -6.510   5.229
  376    H    GLY  49           H        GLY  49  -6.425  -8.389   3.022
  377    HA2  GLY  49           2HA      GLY  49  -8.499  -8.986   1.930
  378    HA3  GLY  49           1HA      GLY  49  -9.345  -8.541   3.405
  379    H    THR  50           H        THR  50  -6.862  -6.368   2.510
  380    HA   THR  50           HA       THR  50  -8.843  -4.410   1.660
  381    HB   THR  50           HB       THR  50  -5.899  -4.106   2.316
  382    HG1  THR  50           1HG      THR  50  -7.986  -4.453   3.933
  383   HG21  THR  50          3HG2      THR  50  -6.729  -2.336   0.830
  384   HG22  THR  50          1HG2      THR  50  -6.359  -1.707   2.437
  385   HG23  THR  50          2HG2      THR  50  -8.036  -1.998   1.966
  386    H    LYS  51           H        LYS  51  -8.777  -3.455  -0.336
  387    HA   LYS  51           HA       LYS  51  -6.883  -4.563  -2.301
  388    HB2  LYS  51           2HB      LYS  51  -9.615  -3.323  -2.713
  389    HB3  LYS  51           1HB      LYS  51  -8.527  -3.787  -4.013
  390    HG2  LYS  51           2HG      LYS  51  -9.410  -5.794  -1.976
  391    HG3  LYS  51           1HG      LYS  51 -10.428  -5.391  -3.361
  392    HD2  LYS  51           2HD      LYS  51  -8.647  -6.029  -4.887
  393    HD3  LYS  51           1HD      LYS  51  -7.572  -6.353  -3.526
  394    HE2  LYS  51           2HE      LYS  51  -8.948  -8.172  -2.795
  395    HE3  LYS  51           1HE      LYS  51 -10.190  -7.776  -3.982
  396    HZ1  LYS  51           3HZ      LYS  51  -7.476  -8.391  -4.917
  397    HZ2  LYS  51           1HZ      LYS  51  -8.960  -8.641  -5.693
  398    HZ3  LYS  51           2HZ      LYS  51  -8.473  -9.673  -4.432
  399    H    ILE  52           H        ILE  52  -5.488  -3.187  -3.284
  400    HA   ILE  52           HA       ILE  52  -5.870  -0.299  -2.890
  401    HB   ILE  52           HB       ILE  52  -3.406  -0.113  -2.413
  402   HG12  ILE  52          2HG1      ILE  52  -3.667  -3.096  -1.949
  403   HG13  ILE  52          1HG1      ILE  52  -2.779  -2.348  -3.272
  404   HG21  ILE  52          1HG2      ILE  52  -5.099   0.088  -0.659
  405   HG22  ILE  52          2HG2      ILE  52  -3.623  -0.660  -0.051
  406   HG23  ILE  52          3HG2      ILE  52  -5.037  -1.657  -0.397
  407   HD11  ILE  52          3HD1      ILE  52  -1.262  -1.316  -1.643
  408   HD12  ILE  52          1HD1      ILE  52  -1.269  -3.075  -1.538
  409   HD13  ILE  52          2HD1      ILE  52  -2.137  -2.119  -0.340
  410    H    ILE  53           H        ILE  53  -4.658   1.051  -4.303
  411    HA   ILE  53           HA       ILE  53  -3.011   0.005  -6.373
  412    HB   ILE  53           HB       ILE  53  -4.945  -0.758  -7.497
  413   HG12  ILE  53          2HG1      ILE  53  -3.279   0.888  -8.760
  414   HG13  ILE  53          1HG1      ILE  53  -4.661   0.159  -9.564
  415   HG21  ILE  53          1HG2      ILE  53  -6.203   1.926  -6.984
  416   HG22  ILE  53          2HG2      ILE  53  -6.666   0.374  -6.284
  417   HG23  ILE  53          3HG2      ILE  53  -6.891   0.666  -8.009
  418   HD11  ILE  53          3HD1      ILE  53  -4.527   2.944  -8.426
  419   HD12  ILE  53          1HD1      ILE  53  -5.941   2.218  -9.191
  420   HD13  ILE  53          2HD1      ILE  53  -4.477   2.501 -10.132
  421    H    MET  54           H        MET  54  -2.087   1.724  -7.739
  422    HA   MET  54           HA       MET  54  -2.200   4.310  -6.301
  423    HB2  MET  54           2HB      MET  54  -0.075   3.040  -5.995
  424    HB3  MET  54           1HB      MET  54   0.168   3.063  -7.734
  425    HG2  MET  54           2HG      MET  54  -0.117   5.599  -6.165
  426    HG3  MET  54           1HG      MET  54   1.426   4.760  -6.282
  427    HE1  MET  54           3HE      MET  54   2.180   4.918 -10.108
  428    HE2  MET  54           1HE      MET  54   1.382   3.609  -9.236
  429    HE3  MET  54           2HE      MET  54   2.771   4.428  -8.522
  430    H    LYS  55           H        LYS  55  -2.668   6.064  -7.466
  431    HA   LYS  55           HA       LYS  55  -2.304   6.005 -10.361
  432    HB2  LYS  55           2HB      LYS  55  -4.607   5.153  -9.880
  433    HB3  LYS  55           1HB      LYS  55  -4.966   6.687  -9.101
  434    HG2  LYS  55           2HG      LYS  55  -5.837   6.551 -11.393
  435    HG3  LYS  55           1HG      LYS  55  -4.678   7.864 -11.182
  436    HD2  LYS  55           2HD      LYS  55  -2.945   6.578 -12.235
  437    HD3  LYS  55           1HD      LYS  55  -3.987   5.154 -12.312
  438    HE2  LYS  55           2HE      LYS  55  -5.430   6.206 -13.895
  439    HE3  LYS  55           1HE      LYS  55  -4.631   7.762 -13.670
  440    HZ1  LYS  55           3HZ      LYS  55  -3.203   5.385 -14.723
  441    HZ2  LYS  55           1HZ      LYS  55  -2.713   7.006 -14.769
  442    HZ3  LYS  55           2HZ      LYS  55  -4.013   6.489 -15.729
  443    H    GLY  56           H        GLY  56  -1.445   7.862 -11.011
  444    HA2  GLY  56           2HA      GLY  56  -0.788  10.057 -11.050
  445    HA3  GLY  56           1HA      GLY  56  -2.281  10.416 -10.201
  446    H    ASN  57           H        ASN  57   0.416   8.412  -9.080
  447    HA   ASN  57           HA       ASN  57   1.870   8.616  -7.342
  448    HB2  ASN  57           2HB      ASN  57   2.819  10.631  -7.758
  449    HB3  ASN  57           1HB      ASN  57   1.271  11.427  -7.992
  450   HD21  ASN  57          1HD2      ASN  57   0.254  12.387  -6.251
  451   HD22  ASN  57          2HD2      ASN  57   1.063  12.685  -4.749
  452    H    GLU  58           H        GLU  58  -1.395   9.215  -7.143
  453    HA   GLU  58           HA       GLU  58  -1.508   9.382  -4.239
  454    HB2  GLU  58           2HB      GLU  58  -3.718   9.210  -6.293
  455    HB3  GLU  58           1HB      GLU  58  -3.947   9.488  -4.574
  456    HG2  GLU  58           2HG      GLU  58  -2.809  11.609  -4.717
  457    HG3  GLU  58           1HG      GLU  58  -2.427  11.321  -6.414
  458    H    ILE  59           H        ILE  59  -3.130   7.849  -3.174
  459    HA   ILE  59           HA       ILE  59  -2.805   5.181  -4.324
  460    HB   ILE  59           HB       ILE  59  -1.523   6.112  -1.979
  461   HG12  ILE  59          2HG1      ILE  59  -0.682   4.511  -3.660
  462   HG13  ILE  59          1HG1      ILE  59  -0.494   3.931  -2.009
  463   HG21  ILE  59          1HG2      ILE  59  -3.542   5.606  -0.703
  464   HG22  ILE  59          2HG2      ILE  59  -2.229   4.501  -0.291
  465   HG23  ILE  59          3HG2      ILE  59  -3.540   3.961  -1.342
  466   HD11  ILE  59          3HD1      ILE  59  -2.442   2.493  -2.289
  467   HD12  ILE  59          1HD1      ILE  59  -1.204   2.153  -3.500
  468   HD13  ILE  59          2HD1      ILE  59  -2.640   3.080  -3.941
  469    H    PHE  60           H        PHE  60  -4.620   4.220  -4.634
  470    HA   PHE  60           HA       PHE  60  -7.031   4.883  -3.197
  471    HB2  PHE  60           2HB      PHE  60  -7.548   4.241  -5.352
  472    HB3  PHE  60           1HB      PHE  60  -6.208   3.117  -5.455
  473    HD1  PHE  60           1HD      PHE  60  -6.444   0.888  -4.265
  474    HD2  PHE  60           2HD      PHE  60  -9.737   3.463  -5.006
  475    HE1  PHE  60           1HE      PHE  60  -7.949  -1.026  -4.101
  476    HE2  PHE  60           2HE      PHE  60 -11.273   1.540  -4.819
  477    HZ   PHE  60           HZ       PHE  60 -10.366  -0.718  -4.376
  478    H    ARG  61           H        ARG  61  -7.084   4.338  -1.187
  479    HA   ARG  61           HA       ARG  61  -6.482   1.552  -0.514
  480    HB2  ARG  61           2HB      ARG  61  -4.856   3.198   0.526
  481    HB3  ARG  61           1HB      ARG  61  -6.217   3.906   1.384
  482    HG2  ARG  61           2HG      ARG  61  -6.610   1.828   2.554
  483    HG3  ARG  61           1HG      ARG  61  -5.318   1.042   1.643
  484    HD2  ARG  61           2HD      ARG  61  -4.407   1.615   3.751
  485    HD3  ARG  61           1HD      ARG  61  -3.753   2.763   2.589
  486    HE   ARG  61           HE       ARG  61  -5.886   3.342   4.544
  487   HH11  ARG  61          1HH1      ARG  61  -3.315   4.443   2.422
  488   HH12  ARG  61          2HH1      ARG  61  -3.350   6.072   3.024
  489   HH21  ARG  61          1HH2      ARG  61  -5.902   5.471   5.344
  490   HH22  ARG  61          2HH2      ARG  61  -4.813   6.655   4.670
  491    H    LEU  62           H        LEU  62  -8.287   0.571   0.037
  492    HA   LEU  62           HA       LEU  62 -10.587   0.230   0.077
  493    HB2  LEU  62           2HB      LEU  62 -10.073   2.375   2.058
  494    HB3  LEU  62           1HB      LEU  62 -11.739   2.099   1.600
  495    HG   LEU  62           HG       LEU  62 -11.181   0.912   3.628
  496   HD11  LEU  62          1HD1      LEU  62 -11.602  -0.887   1.249
  497   HD12  LEU  62          2HD1      LEU  62 -12.852  -0.046   2.163
  498   HD13  LEU  62          3HD1      LEU  62 -11.917  -1.335   2.926
  499   HD21  LEU  62          3HD2      LEU  62  -9.122  -0.510   1.944
  500   HD22  LEU  62          1HD2      LEU  62  -9.596  -0.975   3.578
  501   HD23  LEU  62          2HD2      LEU  62  -8.806   0.576   3.298
  502    H    ASP  63           H        ASP  63  -9.642   3.547  -0.554
  503    HA   ASP  63           HA       ASP  63 -10.335   5.096  -2.066
  504    HB2  ASP  63           2HB      ASP  63 -10.964   3.668  -3.786
  505    HB3  ASP  63           1HB      ASP  63 -12.220   2.913  -2.824
  506    H    GLU  64           H        GLU  64 -12.621   3.517  -0.037
  507    HA   GLU  64           HA       GLU  64 -14.133   5.972   0.363
  508    HB2  GLU  64           2HB      GLU  64 -15.550   4.485   1.836
  509    HB3  GLU  64           1HB      GLU  64 -15.499   4.053   0.131
  510    HG2  GLU  64           2HG      GLU  64 -13.831   2.328   0.632
  511    HG3  GLU  64           1HG      GLU  64 -13.938   2.741   2.344
  512    H    ALA  65           H        ALA  65 -11.528   4.299   1.755
  513    HA   ALA  65           HA       ALA  65 -11.869   4.875   4.496
  514    HB1  ALA  65           1HB      ALA  65 -10.236   3.226   3.582
  515    HB2  ALA  65           2HB      ALA  65  -9.536   4.337   4.762
  516    HB3  ALA  65           3HB      ALA  65  -9.240   4.578   3.039
  517    H    LEU  66           H        LEU  66 -10.047   6.555   1.975
  518    HA   LEU  66           HA       LEU  66  -9.266   8.730   3.655
  519    HB2  LEU  66           2HB      LEU  66  -9.347   8.615   0.640
  520    HB3  LEU  66           1HB      LEU  66  -8.445   9.759   1.620
  521    HG   LEU  66           HG       LEU  66  -7.552   7.291   2.505
  522   HD11  LEU  66          1HD1      LEU  66  -7.819   7.252  -0.498
  523   HD12  LEU  66          2HD1      LEU  66  -8.628   6.170   0.636
  524   HD13  LEU  66          3HD1      LEU  66  -6.873   6.116   0.465
  525   HD21  LEU  66          3HD2      LEU  66  -6.349   9.143   0.457
  526   HD22  LEU  66          1HD2      LEU  66  -5.473   7.940   1.404
  527   HD23  LEU  66          2HD2      LEU  66  -6.239   9.313   2.208
  528    H    ARG  67           H        ARG  67 -11.915   8.051   1.533
  529    HA   ARG  67           HA       ARG  67 -12.931  10.675   1.244
  530    HB2  ARG  67           2HB      ARG  67 -13.515   8.949  -0.327
  531    HB3  ARG  67           1HB      ARG  67 -14.189   7.949   0.947
  532    HG2  ARG  67           2HG      ARG  67 -16.035   9.422   1.226
  533    HG3  ARG  67           1HG      ARG  67 -15.317  10.622   0.156
  534    HD2  ARG  67           2HD      ARG  67 -16.338   7.883  -0.567
  535    HD3  ARG  67           1HD      ARG  67 -16.987   9.441  -1.085
  536    HE   ARG  67           HE       ARG  67 -14.826   9.743  -2.302
  537   HH11  ARG  67          1HH1      ARG  67 -16.105   6.551  -1.625
  538   HH12  ARG  67          2HH1      ARG  67 -15.095   5.756  -2.801
  539   HH21  ARG  67          1HH2      ARG  67 -13.516   8.702  -3.863
  540   HH22  ARG  67          2HH2      ARG  67 -13.630   6.978  -4.079
  541    H    LYS  68           H        LYS  68 -14.214   7.942   3.134
  542    HA   LYS  68           HA       LYS  68 -15.666   9.898   4.776
  543    HB2  LYS  68           2HB      LYS  68 -16.193   6.967   4.256
  544    HB3  LYS  68           1HB      LYS  68 -17.126   7.963   5.364
  545    HG2  LYS  68           2HG      LYS  68 -16.833   8.577   2.430
  546    HG3  LYS  68           1HG      LYS  68 -18.155   7.616   3.106
  547    HD2  LYS  68           2HD      LYS  68 -18.702   9.553   4.588
  548    HD3  LYS  68           1HD      LYS  68 -17.491  10.496   3.716
  549    HE2  LYS  68           2HE      LYS  68 -18.716  10.140   1.629
  550    HE3  LYS  68           1HE      LYS  68 -19.921   9.190   2.499
  551    HZ1  LYS  68           3HZ      LYS  68 -20.737  11.399   2.199
  552    HZ2  LYS  68           1HZ      LYS  68 -19.329  12.078   2.865
  553    HZ3  LYS  68           2HZ      LYS  68 -20.391  11.188   3.847
  554    H    GLY  69           H        GLY  69 -13.703  10.273   5.989
  555    HA2  GLY  69           2HA      GLY  69 -13.593   9.397   8.486
  556    HA3  GLY  69           1HA      GLY  69 -12.777   8.075   7.665
  557    H    HIS  70           H        HIS  70 -12.713  11.637   7.778
  558    HA   HIS  70           HA       HIS  70  -9.926  11.722   7.109
  559    HB2  HIS  70           2HB      HIS  70 -11.925  13.783   7.987
  560    HB3  HIS  70           1HB      HIS  70 -10.206  14.171   7.967
  561    HD1  HIS  70           1HD      HIS  70  -9.510  15.254   5.870
  562    HD2  HIS  70           2HD      HIS  70 -12.640  12.590   5.245
  563    HE1  HIS  70           1HE      HIS  70 -10.048  15.406   3.423
  564    HE2  HIS  70           2HE      HIS  70 -11.772  13.615   3.029
  565    H    SER  71           H        SER  71  -8.242  11.544   8.389
  566    HA   SER  71           HA       SER  71  -8.819  10.526  11.024
  567    HB2  SER  71           2HB      SER  71  -7.333   9.284   9.536
  568    HB3  SER  71           1HB      SER  71  -6.235  10.659   9.455
  569    HG   SER  71           HG       SER  71  -5.506  10.220  11.407
  570    H    GLU  72           H        GLU  72  -8.813  11.724  12.777
  571    HA   GLU  72           HA       GLU  72  -7.277  14.135  13.071
  572    HB2  GLU  72           2HB      GLU  72  -9.280  13.999  14.368
  573    HB3  GLU  72           1HB      GLU  72  -8.859  12.408  14.982
  574    HG2  GLU  72           2HG      GLU  72  -8.507  13.859  16.772
  575    HG3  GLU  72           1HG      GLU  72  -6.901  13.529  16.133
  576    H    GLY  73           H        GLY  73  -7.079  10.780  14.141
  577    HA2  GLY  73           2HA      GLY  73  -4.910   9.685  14.002
  578    HA3  GLY  73           1HA      GLY  73  -4.186  11.183  14.566
  579    H    GLY  74           H        GLY  74  -3.901   8.532  15.660
  580    HA2  GLY  74           2HA      GLY  74  -3.593   8.921  18.265
  581    HA3  GLY  74           1HA      GLY  74  -5.329   8.643  18.197
  Start of MODEL   14
    1    H1   VAL   1           1HT      VAL   1  12.830  -2.464   4.195
    2    H2   VAL   1           2HT      VAL   1  12.169  -2.128   2.679
    3    H3   VAL   1           3HT      VAL   1  11.191  -2.062   4.049
    4    HA   VAL   1           HA       VAL   1  13.504  -0.286   3.541
    5    HB   VAL   1           HB       VAL   1  11.905   1.497   3.105
    6   HG11  VAL   1          2HG1      VAL   1  11.027   0.737   0.938
    7   HG12  VAL   1          3HG1      VAL   1  11.381  -0.931   1.391
    8   HG13  VAL   1          1HG1      VAL   1  12.695   0.227   1.192
    9   HG21  VAL   1          1HG2      VAL   1   9.781  -0.626   3.407
   10   HG22  VAL   1          2HG2      VAL   1   9.503   1.019   2.832
   11   HG23  VAL   1          3HG2      VAL   1  10.055   0.742   4.485
   12    H    ASP   2           H        ASP   2  12.961   1.831   4.896
   13    HA   ASP   2           HA       ASP   2  12.923   0.996   7.653
   14    HB2  ASP   2           2HB      ASP   2  13.002   3.769   6.433
   15    HB3  ASP   2           1HB      ASP   2  13.224   3.411   8.143
   16    H    MET   3           H        MET   3  11.417   1.640   9.247
   17    HA   MET   3           HA       MET   3   8.724   1.947   8.140
   18    HB2  MET   3           2HB      MET   3   9.652   1.031  10.864
   19    HB3  MET   3           1HB      MET   3   7.979   1.088  10.322
   20    HG2  MET   3           2HG      MET   3  10.163  -0.569   9.092
   21    HG3  MET   3           1HG      MET   3   8.904  -1.154  10.172
   22    HE1  MET   3           3HE      MET   3   8.367  -2.292   6.288
   23    HE2  MET   3           1HE      MET   3   9.005  -2.851   7.835
   24    HE3  MET   3           2HE      MET   3   9.897  -1.659   6.889
   25    H    SER   4           H        SER   4  11.046   3.905   9.353
   26    HA   SER   4           HA       SER   4   9.640   5.336  11.387
   27    HB2  SER   4           2HB      SER   4  11.968   6.467   9.864
   28    HB3  SER   4           1HB      SER   4  11.597   6.593  11.584
   29    HG   SER   4           HG       SER   4  12.381   4.595  11.931
   30    H    ASN   5           H        ASN   5   9.885   5.433   7.984
   31    HA   ASN   5           HA       ASN   5   8.645   8.077   7.825
   32    HB2  ASN   5           2HB      ASN   5   9.308   7.874   5.360
   33    HB3  ASN   5           1HB      ASN   5  10.623   8.015   6.525
   34   HD21  ASN   5          1HD2      ASN   5   8.800   5.067   6.080
   35   HD22  ASN   5          2HD2      ASN   5  10.093   4.155   5.376
   36    H    VAL   6           H        VAL   6   7.528   5.237   8.282
   37    HA   VAL   6           HA       VAL   6   5.701   5.082   5.994
   38    HB   VAL   6           HB       VAL   6   6.548   2.954   7.970
   39   HG11  VAL   6          1HG1      VAL   6   4.555   2.773   5.718
   40   HG12  VAL   6          2HG1      VAL   6   4.198   2.660   7.442
   41   HG13  VAL   6          3HG1      VAL   6   5.166   1.410   6.658
   42   HG21  VAL   6          3HG2      VAL   6   7.455   1.836   5.987
   43   HG22  VAL   6          1HG2      VAL   6   8.194   3.419   6.242
   44   HG23  VAL   6          2HG2      VAL   6   6.962   3.211   4.996
   45    H    VAL   7           H        VAL   7   3.563   5.238   6.284
   46    HA   VAL   7           HA       VAL   7   2.710   5.858   9.024
   47    HB   VAL   7           HB       VAL   7   2.530   7.509   7.012
   48   HG11  VAL   7          1HG1      VAL   7   0.301   7.499   5.971
   49   HG12  VAL   7          2HG1      VAL   7   0.023   5.891   6.644
   50   HG13  VAL   7          3HG1      VAL   7   1.318   6.150   5.473
   51   HG21  VAL   7          3HG2      VAL   7   0.341   7.097   9.022
   52   HG22  VAL   7          1HG2      VAL   7   0.631   8.583   8.114
   53   HG23  VAL   7          2HG2      VAL   7   1.849   7.988   9.248
   54    H    LYS   8           H        LYS   8   2.275   3.643   6.443
   55    HA   LYS   8           HA       LYS   8   1.022   1.807   8.184
   56    HB2  LYS   8           2HB      LYS   8  -1.018   3.041   7.661
   57    HB3  LYS   8           1HB      LYS   8  -0.722   2.850   5.938
   58    HG2  LYS   8           2HG      LYS   8  -2.405   1.278   6.671
   59    HG3  LYS   8           1HG      LYS   8  -0.944   0.412   6.192
   60    HD2  LYS   8           2HD      LYS   8  -0.289   0.294   8.581
   61    HD3  LYS   8           1HD      LYS   8  -1.831   1.039   9.008
   62    HE2  LYS   8           2HE      LYS   8  -3.029  -0.838   8.023
   63    HE3  LYS   8           1HE      LYS   8  -1.503  -1.568   7.523
   64    HZ1  LYS   8           3HZ      LYS   8  -2.430  -2.526   9.577
   65    HZ2  LYS   8           1HZ      LYS   8  -2.255  -1.029  10.349
   66    HZ3  LYS   8           2HZ      LYS   8  -0.889  -1.877   9.806
   67    H    THR   9           H        THR   9   1.534  -0.153   7.629
   68    HA   THR   9           HA       THR   9   2.547  -0.626   4.907
   69    HB   THR   9           HB       THR   9   3.204  -1.936   7.521
   70    HG1  THR   9           1HG      THR   9   4.626  -0.412   7.542
   71   HG21  THR   9          3HG2      THR   9   4.265  -2.645   4.792
   72   HG22  THR   9          1HG2      THR   9   3.184  -3.643   5.766
   73   HG23  THR   9          2HG2      THR   9   4.826  -3.319   6.322
   74    H    TYR  10           H        TYR  10   1.878  -2.414   3.781
   75    HA   TYR  10           HA       TYR  10  -0.325  -3.984   4.913
   76    HB2  TYR  10           2HB      TYR  10  -0.185  -2.521   2.326
   77    HB3  TYR  10           1HB      TYR  10  -1.078  -4.043   2.398
   78    HD1  TYR  10           2HD      TYR  10  -2.837  -4.287   4.193
   79    HD2  TYR  10           1HD      TYR  10  -1.183  -0.539   3.075
   80    HE1  TYR  10           2HE      TYR  10  -4.760  -3.158   5.195
   81    HE2  TYR  10           1HE      TYR  10  -3.112   0.615   4.078
   82    HH   TYR  10           HH       TYR  10  -5.435  -1.053   6.045
   83    H    ASP  11           H        ASP  11  -0.387  -6.034   4.551
   84    HA   ASP  11           HA       ASP  11   1.939  -7.207   3.193
   85    HB2  ASP  11           2HB      ASP  11   1.133  -7.764   5.664
   86    HB3  ASP  11           1HB      ASP  11   0.026  -8.845   4.813
   87    H    LEU  12           H        LEU  12   1.647  -8.067   1.333
   88    HA   LEU  12           HA       LEU  12  -1.017  -8.212   0.167
   89    HB2  LEU  12           2HB      LEU  12   1.679  -8.749  -1.093
   90    HB3  LEU  12           1HB      LEU  12   0.145  -8.690  -1.946
   91    HG   LEU  12           HG       LEU  12   1.581  -6.394  -0.620
   92   HD11  LEU  12          1HD1      LEU  12   0.812  -6.987  -3.470
   93   HD12  LEU  12          2HD1      LEU  12   2.436  -6.871  -2.799
   94   HD13  LEU  12          3HD1      LEU  12   1.427  -5.433  -2.909
   95   HD21  LEU  12          3HD2      LEU  12  -1.179  -6.422  -1.833
   96   HD22  LEU  12          1HD2      LEU  12  -0.296  -4.990  -1.311
   97   HD23  LEU  12          2HD2      LEU  12  -0.790  -6.199  -0.126
   98    H    GLN  13           H        GLN  13  -1.899 -10.083  -0.747
   99    HA   GLN  13           HA       GLN  13  -1.640 -12.390   0.802
  100    HB2  GLN  13           2HB      GLN  13  -3.610 -11.607  -0.590
  101    HB3  GLN  13           1HB      GLN  13  -2.772 -12.266  -1.989
  102    HG2  GLN  13           2HG      GLN  13  -2.781 -14.479  -0.905
  103    HG3  GLN  13           1HG      GLN  13  -3.708 -13.786   0.430
  104   HE21  GLN  13          1HE2      GLN  13  -5.502 -15.103   0.051
  105   HE22  GLN  13          2HE2      GLN  13  -6.521 -14.898  -1.335
  106    H    ASP  14           H        ASP  14   0.295 -11.308  -1.708
  107    HA   ASP  14           HA       ASP  14   1.107 -13.965  -2.610
  108    HB2  ASP  14           2HB      ASP  14   0.555 -12.102  -4.247
  109    HB3  ASP  14           1HB      ASP  14   2.008 -11.284  -3.682
  110    H    GLY  15           H        GLY  15   1.833 -11.842  -0.266
  111    HA2  GLY  15           2HA      GLY  15   3.558 -12.397   1.321
  112    HA3  GLY  15           1HA      GLY  15   4.568 -12.901  -0.017
  113    H    SER  16           H        SER  16   3.555 -10.394  -1.416
  114    HA   SER  16           HA       SER  16   5.862  -8.853  -0.799
  115    HB2  SER  16           2HB      SER  16   3.513  -8.227  -2.600
  116    HB3  SER  16           1HB      SER  16   5.058  -7.382  -2.597
  117    HG   SER  16           HG       SER  16   4.564  -9.314  -4.129
  118    H    LYS  17           H        LYS  17   5.790  -6.533  -0.257
  119    HA   LYS  17           HA       LYS  17   3.605  -5.960   1.636
  120    HB2  LYS  17           2HB      LYS  17   6.414  -4.893   1.835
  121    HB3  LYS  17           1HB      LYS  17   5.169  -4.911   3.078
  122    HG2  LYS  17           2HG      LYS  17   5.381  -7.278   3.345
  123    HG3  LYS  17           1HG      LYS  17   6.487  -7.376   1.960
  124    HD2  LYS  17           2HD      LYS  17   7.845  -5.596   3.364
  125    HD3  LYS  17           1HD      LYS  17   6.975  -6.340   4.709
  126    HE2  LYS  17           2HE      LYS  17   7.918  -8.443   4.298
  127    HE3  LYS  17           1HE      LYS  17   8.454  -7.982   2.681
  128    HZ1  LYS  17           3HZ      LYS  17   9.996  -6.390   3.754
  129    HZ2  LYS  17           1HZ      LYS  17  10.328  -8.014   4.135
  130    HZ3  LYS  17           2HZ      LYS  17   9.552  -7.022   5.269
  131    H    VAL  18           H        VAL  18   2.914  -3.833   1.818
  132    HA   VAL  18           HA       VAL  18   3.999  -1.886  -0.109
  133    HB   VAL  18           HB       VAL  18   1.085  -2.400   0.549
  134   HG11  VAL  18          1HG1      VAL  18   0.582  -0.529  -0.991
  135   HG12  VAL  18          2HG1      VAL  18   2.304  -0.165  -1.087
  136   HG13  VAL  18          3HG1      VAL  18   1.451   0.004   0.448
  137   HG21  VAL  18          3HG2      VAL  18   2.603  -2.547  -2.058
  138   HG22  VAL  18          1HG2      VAL  18   0.871  -2.812  -1.858
  139   HG23  VAL  18          2HG2      VAL  18   2.025  -3.918  -1.111
  140    H    HIS  19           H        HIS  19   4.200   0.209   0.737
  141    HA   HIS  19           HA       HIS  19   2.989   0.657   3.381
  142    HB2  HIS  19           2HB      HIS  19   5.621   1.956   2.835
  143    HB3  HIS  19           1HB      HIS  19   4.895   1.509   4.370
  144    HD1  HIS  19           1HD      HIS  19   5.558  -0.745   5.355
  145    HD2  HIS  19           2HD      HIS  19   6.956  -0.096   1.521
  146    HE1  HIS  19           1HE      HIS  19   7.216  -2.587   4.928
  147    HE2  HIS  19           2HE      HIS  19   8.221  -2.050   2.683
  148    H    VAL  20           H        VAL  20   1.957   2.530   3.538
  149    HA   VAL  20           HA       VAL  20   2.351   4.518   1.424
  150    HB   VAL  20           HB       VAL  20   0.340   4.562   3.696
  151   HG11  VAL  20          1HG1      VAL  20   0.497   6.235   1.182
  152   HG12  VAL  20          2HG1      VAL  20   0.949   6.778   2.797
  153   HG13  VAL  20          3HG1      VAL  20  -0.726   6.355   2.447
  154   HG21  VAL  20          3HG2      VAL  20  -1.325   3.893   2.066
  155   HG22  VAL  20          1HG2      VAL  20  -0.037   2.688   2.125
  156   HG23  VAL  20          2HG2      VAL  20  -0.104   3.845   0.794
  157    H    PHE  21           H        PHE  21   3.744   6.074   1.770
  158    HA   PHE  21           HA       PHE  21   5.118   6.100   4.300
  159    HB2  PHE  21           2HB      PHE  21   5.613   7.363   1.616
  160    HB3  PHE  21           1HB      PHE  21   6.584   7.784   3.023
  161    HD1  PHE  21           1HD      PHE  21   5.562   4.867   0.886
  162    HD2  PHE  21           2HD      PHE  21   8.364   6.461   3.680
  163    HE1  PHE  21           1HE      PHE  21   7.037   2.952   0.514
  164    HE2  PHE  21           2HE      PHE  21   9.838   4.534   3.292
  165    HZ   PHE  21           HZ       PHE  21   9.178   2.776   1.707
  166    H    LYS  22           H        LYS  22   5.503   7.920   5.544
  167    HA   LYS  22           HA       LYS  22   3.235   9.449   6.155
  168    HB2  LYS  22           2HB      LYS  22   6.135   9.702   6.940
  169    HB3  LYS  22           1HB      LYS  22   4.879  10.740   7.608
  170    HG2  LYS  22           2HG      LYS  22   3.752   8.810   8.544
  171    HG3  LYS  22           1HG      LYS  22   4.945   7.736   7.811
  172    HD2  LYS  22           2HD      LYS  22   5.444   8.106  10.165
  173    HD3  LYS  22           1HD      LYS  22   6.707   8.792   9.142
  174    HE2  LYS  22           2HE      LYS  22   5.643  11.008   9.379
  175    HE3  LYS  22           1HE      LYS  22   4.456  10.298  10.474
  176    HZ1  LYS  22           3HZ      LYS  22   6.231  11.358  11.699
  177    HZ2  LYS  22           1HZ      LYS  22   7.393  10.408  10.908
  178    HZ3  LYS  22           2HZ      LYS  22   6.274   9.686  11.959
  179    H    ASP  23           H        ASP  23   5.743   9.993   3.892
  180    HA   ASP  23           HA       ASP  23   5.145  12.843   3.703
  181    HB2  ASP  23           2HB      ASP  23   7.162  12.950   2.260
  182    HB3  ASP  23           1HB      ASP  23   7.507  12.354   3.877
  183    H    GLY  24           H        GLY  24   3.926  10.119   2.644
  184    HA2  GLY  24           2HA      GLY  24   2.100  10.172   1.215
  185    HA3  GLY  24           1HA      GLY  24   2.822  11.519   0.379
  186    H    LYS  25           H        LYS  25   5.328   9.315   0.540
  187    HA   LYS  25           HA       LYS  25   4.851   8.340  -2.077
  188    HB2  LYS  25           2HB      LYS  25   6.893   7.735   0.040
  189    HB3  LYS  25           1HB      LYS  25   6.837   6.834  -1.467
  190    HG2  LYS  25           2HG      LYS  25   7.977   8.413  -2.492
  191    HG3  LYS  25           1HG      LYS  25   6.776   9.622  -2.045
  192    HD2  LYS  25           2HD      LYS  25   9.075  10.139  -1.255
  193    HD3  LYS  25           1HD      LYS  25   7.867  10.044   0.029
  194    HE2  LYS  25           2HE      LYS  25   8.621   7.816   0.618
  195    HE3  LYS  25           1HE      LYS  25   9.759   7.814  -0.732
  196    HZ1  LYS  25           3HZ      LYS  25   9.853   9.799   1.468
  197    HZ2  LYS  25           1HZ      LYS  25  11.048   9.481   0.303
  198    HZ3  LYS  25           2HZ      LYS  25  10.715   8.336   1.511
  199    H    MET  26           H        MET  26   5.069   5.956  -2.509
  200    HA   MET  26           HA       MET  26   3.992   4.227  -0.424
  201    HB2  MET  26           2HB      MET  26   3.038   4.262  -3.298
  202    HB3  MET  26           1HB      MET  26   2.673   2.992  -2.143
  203    HG2  MET  26           2HG      MET  26   0.763   4.279  -2.109
  204    HG3  MET  26           1HG      MET  26   1.658   4.885  -0.719
  205    HE1  MET  26           3HE      MET  26   2.548   5.595  -4.456
  206    HE2  MET  26           1HE      MET  26   1.611   7.052  -4.788
  207    HE3  MET  26           2HE      MET  26   0.786   5.517  -4.507
  208    H    GLY  27           H        GLY  27   5.073   2.357  -0.290
  209    HA2  GLY  27           2HA      GLY  27   7.080   1.858  -2.399
  210    HA3  GLY  27           1HA      GLY  27   7.467   1.749  -0.692
  211    H    MET  28           H        MET  28   7.476  -0.209  -2.961
  212    HA   MET  28           HA       MET  28   5.702  -2.222  -1.763
  213    HB2  MET  28           2HB      MET  28   5.141  -1.698  -4.082
  214    HB3  MET  28           1HB      MET  28   6.796  -2.025  -4.574
  215    HG2  MET  28           2HG      MET  28   6.526  -4.366  -3.918
  216    HG3  MET  28           1HG      MET  28   4.862  -4.037  -3.440
  217    HE1  MET  28           3HE      MET  28   5.854  -6.320  -5.551
  218    HE2  MET  28           1HE      MET  28   4.551  -6.198  -6.733
  219    HE3  MET  28           2HE      MET  28   4.186  -6.120  -5.008
  220    H    GLU  29           H        GLU  29   6.571  -4.081  -1.050
  221    HA   GLU  29           HA       GLU  29   9.351  -4.696  -1.807
  222    HB2  GLU  29           2HB      GLU  29   7.938  -4.926   0.832
  223    HB3  GLU  29           1HB      GLU  29   9.191  -6.089   0.428
  224    HG2  GLU  29           2HG      GLU  29  10.850  -4.455   0.344
  225    HG3  GLU  29           1HG      GLU  29   9.677  -3.139   0.270
  226    H    ASN  30           H        ASN  30   9.685  -6.882  -2.436
  227    HA   ASN  30           HA       ASN  30   7.202  -8.245  -3.102
  228    HB2  ASN  30           2HB      ASN  30   8.467  -9.651  -4.539
  229    HB3  ASN  30           1HB      ASN  30   9.119  -8.031  -4.745
  230   HD21  ASN  30          1HD2      ASN  30  10.414 -10.421  -5.430
  231   HD22  ASN  30          2HD2      ASN  30  11.846 -10.547  -4.459
  232    H    LYS  31           H        LYS  31   7.017 -10.620  -2.647
  233    HA   LYS  31           HA       LYS  31   7.104 -11.218   0.002
  234    HB2  LYS  31           2HB      LYS  31   7.004 -13.641  -0.680
  235    HB3  LYS  31           1HB      LYS  31   5.781 -12.578  -1.353
  236    HG2  LYS  31           2HG      LYS  31   6.921 -12.521  -3.470
  237    HG3  LYS  31           1HG      LYS  31   8.262 -13.463  -2.805
  238    HD2  LYS  31           2HD      LYS  31   6.876 -15.372  -2.503
  239    HD3  LYS  31           1HD      LYS  31   5.415 -14.444  -2.851
  240    HE2  LYS  31           2HE      LYS  31   7.633 -14.890  -4.843
  241    HE3  LYS  31           1HE      LYS  31   6.219 -15.933  -4.712
  242    HZ1  LYS  31           3HZ      LYS  31   4.823 -13.985  -5.171
  243    HZ2  LYS  31           1HZ      LYS  31   5.905 -14.305  -6.440
  244    HZ3  LYS  31           2HZ      LYS  31   6.207 -13.033  -5.367
  245    H    PHE  32           H        PHE  32   9.889 -11.053  -1.948
  246    HA   PHE  32           HA       PHE  32  11.396 -12.835  -0.183
  247    HB2  PHE  32           2HB      PHE  32  12.234 -11.472  -2.752
  248    HB3  PHE  32           1HB      PHE  32  13.228 -12.581  -1.815
  249    HD1  PHE  32           1HD      PHE  32  12.526 -14.972  -1.603
  250    HD2  PHE  32           2HD      PHE  32  10.626 -12.258  -4.273
  251    HE1  PHE  32           1HE      PHE  32  11.586 -16.870  -2.859
  252    HE2  PHE  32           2HE      PHE  32   9.683 -14.146  -5.532
  253    HZ   PHE  32           HZ       PHE  32  10.161 -16.455  -4.827
  254    H    GLY  33           H        GLY  33  10.401  -9.761  -0.061
  255    HA2  GLY  33           2HA      GLY  33  10.982  -8.247   1.581
  256    HA3  GLY  33           1HA      GLY  33  12.446  -9.164   1.883
  257    H    LYS  34           H        LYS  34  11.777  -8.268  -1.366
  258    HA   LYS  34           HA       LYS  34  14.009  -6.371  -1.210
  259    HB2  LYS  34           2HB      LYS  34  12.826  -7.750  -3.624
  260    HB3  LYS  34           1HB      LYS  34  14.237  -6.695  -3.626
  261    HG2  LYS  34           2HG      LYS  34  14.058  -9.169  -1.981
  262    HG3  LYS  34           1HG      LYS  34  14.707  -9.164  -3.622
  263    HD2  LYS  34           2HD      LYS  34  16.455  -7.645  -2.948
  264    HD3  LYS  34           1HD      LYS  34  15.739  -7.472  -1.345
  265    HE2  LYS  34           2HE      LYS  34  16.835 -10.030  -2.507
  266    HE3  LYS  34           1HE      LYS  34  17.664  -9.003  -1.337
  267    HZ1  LYS  34           3HZ      LYS  34  15.014 -10.237  -0.814
  268    HZ2  LYS  34           1HZ      LYS  34  16.042  -9.486   0.303
  269    HZ3  LYS  34           2HZ      LYS  34  16.475 -10.976  -0.384
  270    H    SER  35           H        SER  35  13.931  -4.424  -1.977
  271    HA   SER  35           HA       SER  35  11.346  -3.175  -1.837
  272    HB2  SER  35           2HB      SER  35  12.852  -1.070  -2.090
  273    HB3  SER  35           1HB      SER  35  12.929  -2.032  -0.613
  274    HG   SER  35           HG       SER  35  14.839  -1.611  -2.558
  275    H    MET  36           H        MET  36  10.157  -2.397  -3.384
  276    HA   MET  36           HA       MET  36  11.255  -1.925  -6.063
  277    HB2  MET  36           2HB      MET  36   8.838  -3.608  -5.384
  278    HB3  MET  36           1HB      MET  36   9.178  -3.006  -6.997
  279    HG2  MET  36           2HG      MET  36  11.116  -4.347  -7.187
  280    HG3  MET  36           1HG      MET  36  11.087  -4.749  -5.469
  281    HE1  MET  36           3HE      MET  36   8.897  -4.978  -8.761
  282    HE2  MET  36           1HE      MET  36   7.755  -4.576  -7.478
  283    HE3  MET  36           2HE      MET  36   7.687  -6.159  -8.256
  284    H    ASN  37           H        ASN  37   9.363  -0.910  -7.430
  285    HA   ASN  37           HA       ASN  37   7.815   0.906  -5.701
  286    HB2  ASN  37           2HB      ASN  37   8.833   1.359  -8.520
  287    HB3  ASN  37           1HB      ASN  37   7.722   2.439  -7.688
  288   HD21  ASN  37          1HD2      ASN  37   9.076   2.026  -5.100
  289   HD22  ASN  37          2HD2      ASN  37  10.538   2.950  -5.186
  290    H    MET  38           H        MET  38   5.611   1.071  -6.067
  291    HA   MET  38           HA       MET  38   4.415  -1.232  -7.257
  292    HB2  MET  38           2HB      MET  38   3.417  -0.226  -5.278
  293    HB3  MET  38           1HB      MET  38   3.166   1.286  -6.142
  294    HG2  MET  38           2HG      MET  38   1.617   0.147  -7.663
  295    HG3  MET  38           1HG      MET  38   1.851  -1.351  -6.765
  296    HE1  MET  38           3HE      MET  38   1.116  -1.689  -4.251
  297    HE2  MET  38           1HE      MET  38   0.308  -0.457  -3.283
  298    HE3  MET  38           2HE      MET  38   1.994  -0.242  -3.755
  299    HA   PRO  39           HA       PRO  39   3.924   0.438 -11.360
  300    HB2  PRO  39           2HB      PRO  39   2.249  -1.559 -12.225
  301    HB3  PRO  39           1HB      PRO  39   4.011  -1.666 -12.230
  302    HG2  PRO  39           2HG      PRO  39   2.043  -2.798 -10.300
  303    HG3  PRO  39           1HG      PRO  39   3.566  -3.489 -10.890
  304    HD2  PRO  39           2HD      PRO  39   3.305  -2.342  -8.440
  305    HD3  PRO  39           1HD      PRO  39   4.826  -2.341  -9.354
  306    H    GLU  40           H        GLU  40   2.655   2.144 -11.538
  307    HA   GLU  40           HA       GLU  40   0.268   2.511 -10.096
  308    HB2  GLU  40           2HB      GLU  40   1.773   4.330 -10.945
  309    HB3  GLU  40           1HB      GLU  40   1.156   4.023 -12.562
  310    HG2  GLU  40           2HG      GLU  40  -1.041   4.707 -11.929
  311    HG3  GLU  40           1HG      GLU  40  -0.576   4.800 -10.232
  312    H    GLY  41           H        GLY  41  -1.789   2.032 -10.519
  313    HA2  GLY  41           2HA      GLY  41  -3.628   1.787 -12.069
  314    HA3  GLY  41           1HA      GLY  41  -2.488   1.150 -13.244
  315    H    LYS  42           H        LYS  42  -1.280  -0.441 -10.892
  316    HA   LYS  42           HA       LYS  42  -2.923  -2.788 -11.375
  317    HB2  LYS  42           2HB      LYS  42  -0.286  -2.424  -9.958
  318    HB3  LYS  42           1HB      LYS  42  -1.076  -3.971 -10.212
  319    HG2  LYS  42           2HG      LYS  42  -0.528  -2.268 -12.578
  320    HG3  LYS  42           1HG      LYS  42   0.817  -3.123 -11.818
  321    HD2  LYS  42           2HD      LYS  42  -1.748  -4.418 -12.726
  322    HD3  LYS  42           1HD      LYS  42  -0.251  -4.406 -13.661
  323    HE2  LYS  42           2HE      LYS  42   0.874  -5.565 -11.780
  324    HE3  LYS  42           1HE      LYS  42  -0.672  -5.642 -10.940
  325    HZ1  LYS  42           3HZ      LYS  42  -1.529  -6.899 -12.903
  326    HZ2  LYS  42           1HZ      LYS  42  -0.329  -7.710 -12.019
  327    HZ3  LYS  42           2HZ      LYS  42   0.059  -6.966 -13.492
  328    H    VAL  43           H        VAL  43  -4.530  -3.307 -10.034
  329    HA   VAL  43           HA       VAL  43  -4.317  -2.603  -7.209
  330    HB   VAL  43           HB       VAL  43  -6.478  -2.178  -8.295
  331   HG11  VAL  43          1HG1      VAL  43  -6.462  -3.945  -9.958
  332   HG12  VAL  43          2HG1      VAL  43  -7.929  -4.018  -8.983
  333   HG13  VAL  43          3HG1      VAL  43  -6.618  -5.161  -8.690
  334   HG21  VAL  43          3HG2      VAL  43  -6.552  -4.349  -6.209
  335   HG22  VAL  43          1HG2      VAL  43  -7.928  -3.346  -6.669
  336   HG23  VAL  43          2HG2      VAL  43  -6.506  -2.609  -5.931
  337    H    MET  44           H        MET  44  -4.022  -4.065  -5.598
  338    HA   MET  44           HA       MET  44  -3.724  -6.884  -6.384
  339    HB2  MET  44           2HB      MET  44  -1.739  -5.233  -4.812
  340    HB3  MET  44           1HB      MET  44  -1.691  -6.989  -4.907
  341    HG2  MET  44           2HG      MET  44  -1.336  -6.894  -7.289
  342    HG3  MET  44           1HG      MET  44  -1.512  -5.140  -7.276
  343    HE1  MET  44           3HE      MET  44   1.681  -3.964  -5.393
  344    HE2  MET  44           1HE      MET  44   0.080  -4.244  -4.709
  345    HE3  MET  44           2HE      MET  44   0.244  -3.473  -6.288
  346    H    GLU  45           H        GLU  45  -3.806  -8.385  -4.589
  347    HA   GLU  45           HA       GLU  45  -5.723  -7.478  -2.604
  348    HB2  GLU  45           2HB      GLU  45  -4.963 -10.105  -3.756
  349    HB3  GLU  45           1HB      GLU  45  -5.555 -10.095  -2.102
  350    HG2  GLU  45           2HG      GLU  45  -7.357 -10.542  -3.600
  351    HG3  GLU  45           1HG      GLU  45  -7.596  -8.963  -2.860
  352    H    THR  46           H        THR  46  -5.527  -7.818  -0.468
  353    HA   THR  46           HA       THR  46  -2.823  -8.171   0.609
  354    HB   THR  46           HB       THR  46  -3.885  -7.478   2.768
  355    HG1  THR  46           1HG      THR  46  -6.067  -6.634   1.158
  356   HG21  THR  46          3HG2      THR  46  -4.135  -5.544   0.460
  357   HG22  THR  46          1HG2      THR  46  -2.678  -5.861   1.399
  358   HG23  THR  46          2HG2      THR  46  -4.071  -5.099   2.167
  359    H    ARG  47           H        ARG  47  -2.642  -9.585   2.578
  360    HA   ARG  47           HA       ARG  47  -3.330 -12.161   2.242
  361    HB2  ARG  47           2HB      ARG  47  -3.210 -10.765   4.909
  362    HB3  ARG  47           1HB      ARG  47  -3.062 -12.488   4.646
  363    HG2  ARG  47           2HG      ARG  47  -0.988 -12.137   3.428
  364    HG3  ARG  47           1HG      ARG  47  -1.143 -10.393   3.671
  365    HD2  ARG  47           2HD      ARG  47  -0.777 -12.518   5.779
  366    HD3  ARG  47           1HD      ARG  47   0.350 -11.233   5.344
  367    HE   ARG  47           HE       ARG  47  -2.293 -10.506   6.401
  368   HH11  ARG  47          1HH1      ARG  47   1.157 -10.781   6.924
  369   HH12  ARG  47          2HH1      ARG  47   1.187  -9.597   8.193
  370   HH21  ARG  47          1HH2      ARG  47  -2.264  -8.941   8.072
  371   HH22  ARG  47          2HH2      ARG  47  -0.757  -8.542   8.848
  372    H    ASP  48           H        ASP  48  -5.459  -9.693   3.578
  373    HA   ASP  48           HA       ASP  48  -7.174 -11.782   4.663
  374    HB2  ASP  48           2HB      ASP  48  -6.500 -10.039   6.223
  375    HB3  ASP  48           1HB      ASP  48  -7.208  -8.816   5.172
  376    H    GLY  49           H        GLY  49  -7.459  -8.837   2.684
  377    HA2  GLY  49           2HA      GLY  49  -8.983  -9.632   0.690
  378    HA3  GLY  49           1HA      GLY  49 -10.165  -9.682   1.986
  379    H    THR  50           H        THR  50  -7.653  -7.200   1.881
  380    HA   THR  50           HA       THR  50  -9.707  -5.383   0.803
  381    HB   THR  50           HB       THR  50  -8.978  -4.754   3.118
  382    HG1  THR  50           1HG      THR  50  -9.599  -3.204   1.348
  383   HG21  THR  50          3HG2      THR  50  -6.320  -4.264   1.779
  384   HG22  THR  50          1HG2      THR  50  -6.652  -5.436   3.054
  385   HG23  THR  50          2HG2      THR  50  -6.759  -3.707   3.393
  386    H    LYS  51           H        LYS  51  -8.804  -3.640  -0.601
  387    HA   LYS  51           HA       LYS  51  -6.656  -4.812  -2.248
  388    HB2  LYS  51           2HB      LYS  51  -9.111  -3.360  -3.251
  389    HB3  LYS  51           1HB      LYS  51  -7.862  -4.114  -4.233
  390    HG2  LYS  51           2HG      LYS  51  -8.506  -6.304  -3.431
  391    HG3  LYS  51           1HG      LYS  51  -9.707  -5.581  -2.359
  392    HD2  LYS  51           2HD      LYS  51 -10.853  -4.653  -4.345
  393    HD3  LYS  51           1HD      LYS  51  -9.688  -5.493  -5.373
  394    HE2  LYS  51           2HE      LYS  51 -11.577  -6.788  -3.413
  395    HE3  LYS  51           1HE      LYS  51 -11.783  -6.744  -5.162
  396    HZ1  LYS  51           3HZ      LYS  51  -9.243  -7.771  -4.660
  397    HZ2  LYS  51           1HZ      LYS  51 -10.595  -8.592  -5.283
  398    HZ3  LYS  51           2HZ      LYS  51 -10.308  -8.574  -3.611
  399    H    ILE  52           H        ILE  52  -5.231  -3.420  -3.212
  400    HA   ILE  52           HA       ILE  52  -5.591  -0.543  -2.762
  401    HB   ILE  52           HB       ILE  52  -3.173  -0.345  -2.212
  402   HG12  ILE  52          2HG1      ILE  52  -3.327  -3.365  -2.045
  403   HG13  ILE  52          1HG1      ILE  52  -2.396  -2.440  -3.216
  404   HG21  ILE  52          1HG2      ILE  52  -3.361  -1.098   0.099
  405   HG22  ILE  52          2HG2      ILE  52  -4.743  -2.105  -0.334
  406   HG23  ILE  52          3HG2      ILE  52  -4.861  -0.354  -0.447
  407   HD11  ILE  52          3HD1      ILE  52  -0.936  -3.285  -1.521
  408   HD12  ILE  52          1HD1      ILE  52  -1.929  -2.577  -0.250
  409   HD13  ILE  52          2HD1      ILE  52  -1.045  -1.532  -1.361
  410    H    ILE  53           H        ILE  53  -4.480   0.801  -4.223
  411    HA   ILE  53           HA       ILE  53  -2.844  -0.271  -6.306
  412    HB   ILE  53           HB       ILE  53  -4.704  -0.967  -7.508
  413   HG12  ILE  53          2HG1      ILE  53  -3.184   0.933  -8.637
  414   HG13  ILE  53          1HG1      ILE  53  -4.474   0.098  -9.491
  415   HG21  ILE  53          1HG2      ILE  53  -6.119   1.580  -6.790
  416   HG22  ILE  53          2HG2      ILE  53  -6.432  -0.023  -6.129
  417   HG23  ILE  53          3HG2      ILE  53  -6.760   0.309  -7.831
  418   HD11  ILE  53          3HD1      ILE  53  -4.522   2.499  -9.890
  419   HD12  ILE  53          1HD1      ILE  53  -4.703   2.791  -8.160
  420   HD13  ILE  53          2HD1      ILE  53  -5.978   1.962  -9.053
  421    H    MET  54           H        MET  54  -1.819   1.350  -7.579
  422    HA   MET  54           HA       MET  54  -1.781   3.943  -6.171
  423    HB2  MET  54           2HB      MET  54   0.361   2.756  -6.241
  424    HB3  MET  54           1HB      MET  54   0.247   2.599  -7.988
  425    HG2  MET  54           2HG      MET  54   0.394   5.038  -8.202
  426    HG3  MET  54           1HG      MET  54   0.542   5.166  -6.448
  427    HE1  MET  54           3HE      MET  54   2.748   6.659  -7.056
  428    HE2  MET  54           1HE      MET  54   2.587   6.289  -8.774
  429    HE3  MET  54           2HE      MET  54   4.123   6.015  -7.951
  430    H    LYS  55           H        LYS  55  -2.471   5.726  -7.196
  431    HA   LYS  55           HA       LYS  55  -2.573   5.788 -10.113
  432    HB2  LYS  55           2HB      LYS  55  -4.780   4.916  -9.342
  433    HB3  LYS  55           1HB      LYS  55  -5.001   6.389  -8.410
  434    HG2  LYS  55           2HG      LYS  55  -6.234   6.543 -10.466
  435    HG3  LYS  55           1HG      LYS  55  -4.894   7.693 -10.498
  436    HD2  LYS  55           2HD      LYS  55  -3.582   6.076 -11.822
  437    HD3  LYS  55           1HD      LYS  55  -4.972   4.987 -11.836
  438    HE2  LYS  55           2HE      LYS  55  -6.290   6.687 -13.000
  439    HE3  LYS  55           1HE      LYS  55  -4.906   7.780 -12.979
  440    HZ1  LYS  55           3HZ      LYS  55  -3.676   6.107 -14.287
  441    HZ2  LYS  55           1HZ      LYS  55  -5.036   6.713 -15.102
  442    HZ3  LYS  55           2HZ      LYS  55  -5.091   5.175 -14.396
  443    H    GLY  56           H        GLY  56  -1.883   7.724 -10.834
  444    HA2  GLY  56           2HA      GLY  56  -1.320   9.944 -10.887
  445    HA3  GLY  56           1HA      GLY  56  -2.648  10.207  -9.768
  446    H    ASN  57           H        ASN  57   0.208   8.219  -9.235
  447    HA   ASN  57           HA       ASN  57   1.814   8.232  -7.635
  448    HB2  ASN  57           2HB      ASN  57   1.485  11.176  -8.128
  449    HB3  ASN  57           1HB      ASN  57   2.577  10.605  -6.869
  450   HD21  ASN  57          1HD2      ASN  57   1.992   8.789  -9.784
  451   HD22  ASN  57          2HD2      ASN  57   3.558   9.029 -10.485
  452    H    GLU  58           H        GLU  58  -1.044   8.247  -6.967
  453    HA   GLU  58           HA       GLU  58  -0.689   8.601  -4.064
  454    HB2  GLU  58           2HB      GLU  58  -3.216   9.026  -5.669
  455    HB3  GLU  58           1HB      GLU  58  -3.154   8.961  -3.915
  456    HG2  GLU  58           2HG      GLU  58  -1.654  10.926  -3.929
  457    HG3  GLU  58           1HG      GLU  58  -1.841  11.015  -5.682
  458    H    ILE  59           H        ILE  59  -2.987   7.252  -3.262
  459    HA   ILE  59           HA       ILE  59  -2.840   4.710  -4.634
  460    HB   ILE  59           HB       ILE  59  -1.069   4.987  -2.664
  461   HG12  ILE  59          2HG1      ILE  59  -2.706   2.491  -3.134
  462   HG13  ILE  59          1HG1      ILE  59  -1.379   3.053  -4.148
  463   HG21  ILE  59          1HG2      ILE  59  -1.868   3.989  -0.589
  464   HG22  ILE  59          2HG2      ILE  59  -3.508   3.940  -1.236
  465   HG23  ILE  59          3HG2      ILE  59  -2.725   5.493  -0.936
  466   HD11  ILE  59          3HD1      ILE  59  -1.146   2.226  -1.262
  467   HD12  ILE  59          1HD1      ILE  59   0.174   2.741  -2.316
  468   HD13  ILE  59          2HD1      ILE  59  -0.699   1.246  -2.661
  469    H    PHE  60           H        PHE  60  -4.674   3.690  -4.678
  470    HA   PHE  60           HA       PHE  60  -6.929   4.464  -3.022
  471    HB2  PHE  60           2HB      PHE  60  -7.783   3.860  -5.043
  472    HB3  PHE  60           1HB      PHE  60  -6.415   2.843  -5.443
  473    HD1  PHE  60           1HD      PHE  60  -6.389   0.509  -4.225
  474    HD2  PHE  60           2HD      PHE  60  -9.842   2.932  -4.695
  475    HE1  PHE  60           1HE      PHE  60  -7.824  -1.446  -3.797
  476    HE2  PHE  60           2HE      PHE  60 -11.278   1.005  -4.281
  477    HZ   PHE  60           HZ       PHE  60 -10.231  -1.293  -4.215
  478    H    ARG  61           H        ARG  61  -6.778   3.915  -1.030
  479    HA   ARG  61           HA       ARG  61  -6.109   1.137  -0.376
  480    HB2  ARG  61           2HB      ARG  61  -4.475   2.917   0.499
  481    HB3  ARG  61           1HB      ARG  61  -5.791   3.502   1.504
  482    HG2  ARG  61           2HG      ARG  61  -5.010   0.631   1.652
  483    HG3  ARG  61           1HG      ARG  61  -4.015   1.847   2.451
  484    HD2  ARG  61           2HD      ARG  61  -6.964   1.400   2.898
  485    HD3  ARG  61           1HD      ARG  61  -5.667   0.893   3.977
  486    HE   ARG  61           HE       ARG  61  -6.134   3.733   3.352
  487   HH11  ARG  61          1HH1      ARG  61  -5.632   1.147   5.645
  488   HH12  ARG  61          2HH1      ARG  61  -5.591   2.209   7.029
  489   HH21  ARG  61          1HH2      ARG  61  -6.082   5.138   5.174
  490   HH22  ARG  61          2HH2      ARG  61  -5.852   4.474   6.762
  491    H    LEU  62           H        LEU  62  -7.908   0.128   0.288
  492    HA   LEU  62           HA       LEU  62 -10.211  -0.151   0.198
  493    HB2  LEU  62           2HB      LEU  62  -9.867   2.199   2.016
  494    HB3  LEU  62           1HB      LEU  62 -11.477   1.828   1.440
  495    HG   LEU  62           HG       LEU  62 -11.023   0.895   3.665
  496   HD11  LEU  62          1HD1      LEU  62 -11.347  -1.222   1.541
  497   HD12  LEU  62          2HD1      LEU  62 -12.628  -0.148   2.105
  498   HD13  LEU  62          3HD1      LEU  62 -11.897  -1.311   3.216
  499   HD21  LEU  62          3HD2      LEU  62  -8.957  -0.762   2.221
  500   HD22  LEU  62          1HD2      LEU  62  -9.493  -1.017   3.883
  501   HD23  LEU  62          2HD2      LEU  62  -8.644   0.467   3.447
  502    H    ASP  63           H        ASP  63  -9.608   3.292   0.052
  503    HA   ASP  63           HA       ASP  63  -9.482   4.260  -2.277
  504    HB2  ASP  63           2HB      ASP  63 -11.151   2.893  -3.343
  505    HB3  ASP  63           1HB      ASP  63 -12.355   3.378  -2.162
  506    H    GLU  64           H        GLU  64 -11.660   4.169   0.360
  507    HA   GLU  64           HA       GLU  64 -12.007   7.079   0.385
  508    HB2  GLU  64           2HB      GLU  64 -13.772   6.566   2.088
  509    HB3  GLU  64           1HB      GLU  64 -14.064   5.820   0.520
  510    HG2  GLU  64           2HG      GLU  64 -13.306   3.694   1.322
  511    HG3  GLU  64           1HG      GLU  64 -12.788   4.402   2.847
  512    H    ALA  65           H        ALA  65 -10.530   4.461   2.132
  513    HA   ALA  65           HA       ALA  65 -10.521   5.472   4.723
  514    HB1  ALA  65           1HB      ALA  65  -9.991   3.126   4.007
  515    HB2  ALA  65           2HB      ALA  65  -8.920   3.798   5.240
  516    HB3  ALA  65           3HB      ALA  65  -8.384   3.702   3.563
  517    H    LEU  66           H        LEU  66  -7.891   5.621   2.317
  518    HA   LEU  66           HA       LEU  66  -6.510   7.568   3.978
  519    HB2  LEU  66           2HB      LEU  66  -4.605   7.205   2.695
  520    HB3  LEU  66           1HB      LEU  66  -5.355   5.634   2.816
  521    HG   LEU  66           HG       LEU  66  -4.601   5.725   0.630
  522   HD11  LEU  66          1HD1      LEU  66  -7.450   6.666   0.430
  523   HD12  LEU  66          2HD1      LEU  66  -6.921   5.003   0.683
  524   HD13  LEU  66          3HD1      LEU  66  -6.538   5.828  -0.827
  525   HD21  LEU  66          3HD2      LEU  66  -5.524   8.574   0.619
  526   HD22  LEU  66          1HD2      LEU  66  -5.038   7.720  -0.852
  527   HD23  LEU  66          2HD2      LEU  66  -3.880   7.952   0.462
  528    H    ARG  67           H        ARG  67  -8.691   7.502   1.453
  529    HA   ARG  67           HA       ARG  67  -8.127   9.739  -0.093
  530    HB2  ARG  67           2HB      ARG  67  -9.832   8.194  -0.721
  531    HB3  ARG  67           1HB      ARG  67 -10.705   8.443   0.775
  532    HG2  ARG  67           2HG      ARG  67 -11.291  10.689   0.041
  533    HG3  ARG  67           1HG      ARG  67 -10.406  10.425  -1.462
  534    HD2  ARG  67           2HD      ARG  67 -11.897   8.756  -2.172
  535    HD3  ARG  67           1HD      ARG  67 -12.596   8.583  -0.566
  536    HE   ARG  67           HE       ARG  67 -13.043  11.203  -1.519
  537   HH11  ARG  67          1HH1      ARG  67 -14.039   7.896  -2.137
  538   HH12  ARG  67          2HH1      ARG  67 -15.644   8.334  -2.636
  539   HH21  ARG  67          1HH2      ARG  67 -15.177  11.777  -2.189
  540   HH22  ARG  67          2HH2      ARG  67 -16.278  10.520  -2.672
  541    H    LYS  68           H        LYS  68 -10.352   9.538   2.678
  542    HA   LYS  68           HA       LYS  68  -9.916  12.393   3.150
  543    HB2  LYS  68           2HB      LYS  68 -11.966  10.510   4.339
  544    HB3  LYS  68           1HB      LYS  68 -11.835  12.228   4.704
  545    HG2  LYS  68           2HG      LYS  68 -12.267  12.750   2.346
  546    HG3  LYS  68           1HG      LYS  68 -12.451  11.027   2.015
  547    HD2  LYS  68           2HD      LYS  68 -14.337  10.932   3.574
  548    HD3  LYS  68           1HD      LYS  68 -14.155  12.660   3.893
  549    HE2  LYS  68           2HE      LYS  68 -14.577  13.129   1.521
  550    HE3  LYS  68           1HE      LYS  68 -14.784  11.403   1.224
  551    HZ1  LYS  68           3HZ      LYS  68 -16.913  12.469   1.448
  552    HZ2  LYS  68           1HZ      LYS  68 -16.490  13.106   2.963
  553    HZ3  LYS  68           2HZ      LYS  68 -16.673  11.430   2.765
  554    H    GLY  69           H        GLY  69  -7.836  12.158   3.894
  555    HA2  GLY  69           2HA      GLY  69  -7.379  11.921   6.614
  556    HA3  GLY  69           1HA      GLY  69  -7.056  10.334   5.921
  557    H    HIS  70           H        HIS  70  -5.843  10.741   3.614
  558    HA   HIS  70           HA       HIS  70  -3.474  12.322   4.309
  559    HB2  HIS  70           2HB      HIS  70  -3.005  10.011   3.657
  560    HB3  HIS  70           1HB      HIS  70  -3.872  10.241   2.141
  561    HD1  HIS  70           1HD      HIS  70  -0.861  11.806   3.910
  562    HD2  HIS  70           2HD      HIS  70  -2.228  10.870   0.085
  563    HE1  HIS  70           1HE      HIS  70   1.010  12.413   2.345
  564    HE2  HIS  70           2HE      HIS  70   0.087  12.033   0.030
  565    H    SER  71           H        SER  71  -4.212  14.354   3.883
  566    HA   SER  71           HA       SER  71  -4.754  14.961   1.058
  567    HB2  SER  71           2HB      SER  71  -6.300  16.754   1.898
  568    HB3  SER  71           1HB      SER  71  -6.860  15.115   2.242
  569    HG   SER  71           HG       SER  71  -6.077  17.130   3.962
  570    H    GLU  72           H        GLU  72  -4.295  17.252   0.517
  571    HA   GLU  72           HA       GLU  72  -3.043  19.148   0.516
  572    HB2  GLU  72           2HB      GLU  72  -3.038  18.678   3.503
  573    HB3  GLU  72           1HB      GLU  72  -2.562  20.179   2.716
  574    HG2  GLU  72           2HG      GLU  72  -4.698  20.768   2.225
  575    HG3  GLU  72           1HG      GLU  72  -5.232  19.100   2.038
  576    H    GLY  73           H        GLY  73  -1.781  16.497   0.307
  577    HA2  GLY  73           2HA      GLY  73   0.962  17.293   1.082
  578    HA3  GLY  73           1HA      GLY  73   0.404  15.627   1.174
  579    H    GLY  74           H        GLY  74  -0.660  17.623  -1.422
  580    HA2  GLY  74           2HA      GLY  74   0.654  15.914  -3.349
  581    HA3  GLY  74           1HA      GLY  74  -0.479  17.212  -3.701
  Start of MODEL   15
    1    H1   VAL   1           1HT      VAL   1   6.302  -2.634   9.022
    2    H2   VAL   1           2HT      VAL   1   7.119  -3.749   9.999
    3    H3   VAL   1           3HT      VAL   1   6.827  -4.109   8.368
    4    HA   VAL   1           HA       VAL   1   9.117  -3.498   8.722
    5    HB   VAL   1           HB       VAL   1   9.351  -1.754   7.047
    6   HG11  VAL   1          2HG1      VAL   1   7.083  -3.637   6.435
    7   HG12  VAL   1          3HG1      VAL   1   8.807  -3.970   6.264
    8   HG13  VAL   1          1HG1      VAL   1   8.033  -2.761   5.234
    9   HG21  VAL   1          1HG2      VAL   1   6.385  -1.296   7.380
   10   HG22  VAL   1          2HG2      VAL   1   7.387  -0.596   6.107
   11   HG23  VAL   1          3HG2      VAL   1   7.679  -0.167   7.793
   12    H    ASP   2           H        ASP   2   6.799  -1.176   9.948
   13    HA   ASP   2           HA       ASP   2   6.975   0.684  11.230
   14    HB2  ASP   2           2HB      ASP   2   8.945  -1.173  12.547
   15    HB3  ASP   2           1HB      ASP   2   8.437   0.352  13.265
   16    H    MET   3           H        MET   3   7.948   1.635   9.233
   17    HA   MET   3           HA       MET   3  10.680   2.260   9.158
   18    HB2  MET   3           2HB      MET   3   8.366   3.539   7.761
   19    HB3  MET   3           1HB      MET   3  10.047   3.970   7.466
   20    HG2  MET   3           2HG      MET   3   8.859   1.236   7.082
   21    HG3  MET   3           1HG      MET   3   9.184   2.409   5.804
   22    HE1  MET   3           3HE      MET   3  10.246  -0.742   6.610
   23    HE2  MET   3           1HE      MET   3  11.824  -0.703   5.823
   24    HE3  MET   3           2HE      MET   3  10.402  -0.082   4.982
   25    H    SER   4           H        SER   4   8.105   3.542  10.924
   26    HA   SER   4           HA       SER   4   7.881   5.196  12.429
   27    HB2  SER   4           2HB      SER   4  10.815   5.617  11.884
   28    HB3  SER   4           1HB      SER   4   9.907   6.537  13.083
   29    HG   SER   4           HG       SER   4   9.435   3.923  13.432
   30    H    ASN   5           H        ASN   5   9.436   5.815   9.407
   31    HA   ASN   5           HA       ASN   5   8.014   8.318   9.125
   32    HB2  ASN   5           2HB      ASN   5  10.102   8.544   8.183
   33    HB3  ASN   5           1HB      ASN   5  10.137   6.887   7.591
   34   HD21  ASN   5          1HD2      ASN   5   9.061   6.409   5.630
   35   HD22  ASN   5          2HD2      ASN   5   8.681   7.653   4.491
   36    H    VAL   6           H        VAL   6   7.555   4.981   8.563
   37    HA   VAL   6           HA       VAL   6   5.669   5.504   6.398
   38    HB   VAL   6           HB       VAL   6   7.154   3.470   6.437
   39   HG11  VAL   6          1HG1      VAL   6   6.942   2.888   8.777
   40   HG12  VAL   6          2HG1      VAL   6   6.434   1.546   7.746
   41   HG13  VAL   6          3HG1      VAL   6   5.222   2.544   8.553
   42   HG21  VAL   6          3HG2      VAL   6   5.338   1.947   5.666
   43   HG22  VAL   6          1HG2      VAL   6   5.352   3.549   4.920
   44   HG23  VAL   6          2HG2      VAL   6   4.182   3.171   6.188
   45    H    VAL   7           H        VAL   7   3.479   5.568   6.628
   46    HA   VAL   7           HA       VAL   7   2.497   5.639   9.371
   47    HB   VAL   7           HB       VAL   7   0.366   6.510   8.364
   48   HG11  VAL   7          1HG1      VAL   7   1.272   8.731   7.902
   49   HG12  VAL   7          2HG1      VAL   7   2.889   8.045   7.748
   50   HG13  VAL   7          3HG1      VAL   7   2.056   7.995   9.301
   51   HG21  VAL   7          3HG2      VAL   7   0.717   5.546   6.093
   52   HG22  VAL   7          1HG2      VAL   7   1.990   6.747   5.833
   53   HG23  VAL   7          2HG2      VAL   7   0.323   7.265   6.091
   54    H    LYS   8           H        LYS   8   2.419   3.542   6.652
   55    HA   LYS   8           HA       LYS   8   1.267   1.482   8.192
   56    HB2  LYS   8           2HB      LYS   8  -0.815   2.685   7.732
   57    HB3  LYS   8           1HB      LYS   8  -0.525   2.558   6.001
   58    HG2  LYS   8           2HG      LYS   8  -2.172   0.929   6.815
   59    HG3  LYS   8           1HG      LYS   8  -0.740   0.139   6.143
   60    HD2  LYS   8           2HD      LYS   8  -1.259  -0.992   8.169
   61    HD3  LYS   8           1HD      LYS   8   0.156   0.015   8.470
   62    HE2  LYS   8           2HE      LYS   8  -1.320   1.729   9.459
   63    HE3  LYS   8           1HE      LYS   8  -2.684   0.624   9.262
   64    HZ1  LYS   8           3HZ      LYS   8  -1.737   0.547  11.509
   65    HZ2  LYS   8           1HZ      LYS   8  -0.243   0.059  10.871
   66    HZ3  LYS   8           2HZ      LYS   8  -1.597  -0.949  10.724
   67    H    THR   9           H        THR   9   1.329  -0.541   7.202
   68    HA   THR   9           HA       THR   9   2.469  -0.661   4.518
   69    HB   THR   9           HB       THR   9   3.618  -1.877   7.010
   70    HG1  THR   9           1HG      THR   9   4.268   0.167   5.837
   71   HG21  THR   9          3HG2      THR   9   4.138  -2.840   4.194
   72   HG22  THR   9          1HG2      THR   9   3.344  -3.764   5.472
   73   HG23  THR   9          2HG2      THR   9   5.041  -3.319   5.630
   74    H    TYR  10           H        TYR  10   1.980  -2.550   3.371
   75    HA   TYR  10           HA       TYR  10  -0.216  -4.132   4.490
   76    HB2  TYR  10           2HB      TYR  10  -0.226  -2.553   1.946
   77    HB3  TYR  10           1HB      TYR  10  -1.266  -3.965   2.147
   78    HD1  TYR  10           2HD      TYR  10  -2.536  -3.950   4.544
   79    HD2  TYR  10           1HD      TYR  10  -1.137  -0.549   2.419
   80    HE1  TYR  10           2HE      TYR  10  -4.191  -2.544   5.713
   81    HE2  TYR  10           1HE      TYR  10  -2.770   0.859   3.557
   82    HH   TYR  10           HH       TYR  10  -4.915   0.633   4.712
   83    H    ASP  11           H        ASP  11  -0.519  -6.091   3.822
   84    HA   ASP  11           HA       ASP  11   1.731  -7.249   2.345
   85    HB2  ASP  11           2HB      ASP  11  -0.019  -8.371   4.512
   86    HB3  ASP  11           1HB      ASP  11   0.896  -9.427   3.443
   87    H    LEU  12           H        LEU  12   1.416  -8.071   0.545
   88    HA   LEU  12           HA       LEU  12  -1.131  -7.842  -0.767
   89    HB2  LEU  12           2HB      LEU  12   1.548  -8.796  -1.757
   90    HB3  LEU  12           1HB      LEU  12   0.119  -8.635  -2.777
   91    HG   LEU  12           HG       LEU  12   1.804  -6.491  -1.542
   92   HD11  LEU  12          1HD1      LEU  12   0.534  -6.768  -4.254
   93   HD12  LEU  12          2HD1      LEU  12   2.173  -7.271  -3.856
   94   HD13  LEU  12          3HD1      LEU  12   1.726  -5.569  -3.757
   95   HD21  LEU  12          3HD2      LEU  12   0.071  -4.837  -2.021
   96   HD22  LEU  12          1HD2      LEU  12  -0.459  -5.979  -0.784
   97   HD23  LEU  12          2HD2      LEU  12  -1.055  -6.128  -2.440
   98    H    GLN  13           H        GLN  13   0.109 -10.297   1.050
   99    HA   GLN  13           HA       GLN  13  -1.002 -12.239   1.617
  100    HB2  GLN  13           2HB      GLN  13  -3.061 -11.416   0.498
  101    HB3  GLN  13           1HB      GLN  13  -2.447 -12.027  -1.030
  102    HG2  GLN  13           2HG      GLN  13  -2.535 -14.287  -0.216
  103    HG3  GLN  13           1HG      GLN  13  -3.012 -13.725   1.388
  104   HE21  GLN  13          1HE2      GLN  13  -4.934 -14.859   1.369
  105   HE22  GLN  13          2HE2      GLN  13  -6.268 -14.416   0.361
  106    H    ASP  14           H        ASP  14   0.283 -11.700  -1.570
  107    HA   ASP  14           HA       ASP  14   1.259 -14.400  -1.878
  108    HB2  ASP  14           2HB      ASP  14   0.799 -13.237  -3.923
  109    HB3  ASP  14           1HB      ASP  14   1.693 -11.818  -3.399
  110    H    GLY  15           H        GLY  15   2.065 -11.483  -0.398
  111    HA2  GLY  15           2HA      GLY  15   3.657 -11.884   1.486
  112    HA3  GLY  15           1HA      GLY  15   4.731 -12.503   0.259
  113    H    SER  16           H        SER  16   3.615 -10.228  -1.499
  114    HA   SER  16           HA       SER  16   5.788  -8.495  -1.138
  115    HB2  SER  16           2HB      SER  16   3.205  -7.823  -2.542
  116    HB3  SER  16           1HB      SER  16   4.796  -7.134  -2.842
  117    HG   SER  16           HG       SER  16   3.704  -9.235  -4.006
  118    H    LYS  17           H        LYS  17   5.944  -6.461  -0.250
  119    HA   LYS  17           HA       LYS  17   3.787  -5.752   1.624
  120    HB2  LYS  17           2HB      LYS  17   6.766  -5.317   1.906
  121    HB3  LYS  17           1HB      LYS  17   5.542  -4.827   3.076
  122    HG2  LYS  17           2HG      LYS  17   4.911  -7.232   3.300
  123    HG3  LYS  17           1HG      LYS  17   6.300  -7.626   2.279
  124    HD2  LYS  17           2HD      LYS  17   7.791  -6.555   3.884
  125    HD3  LYS  17           1HD      LYS  17   6.410  -6.159   4.911
  126    HE2  LYS  17           2HE      LYS  17   7.285  -8.940   4.143
  127    HE3  LYS  17           1HE      LYS  17   7.611  -8.159   5.689
  128    HZ1  LYS  17           3HZ      LYS  17   5.704  -9.683   5.753
  129    HZ2  LYS  17           1HZ      LYS  17   4.885  -8.715   4.625
  130    HZ3  LYS  17           2HZ      LYS  17   5.269  -8.097   6.156
  131    H    VAL  18           H        VAL  18   2.873  -3.850   1.341
  132    HA   VAL  18           HA       VAL  18   4.244  -1.844  -0.337
  133    HB   VAL  18           HB       VAL  18   1.300  -2.192   0.293
  134   HG11  VAL  18          1HG1      VAL  18   0.923  -0.409  -1.358
  135   HG12  VAL  18          2HG1      VAL  18   2.665  -0.178  -1.496
  136   HG13  VAL  18          3HG1      VAL  18   1.849   0.160   0.030
  137   HG21  VAL  18          3HG2      VAL  18   2.807  -2.614  -2.291
  138   HG22  VAL  18          1HG2      VAL  18   1.065  -2.776  -2.069
  139   HG23  VAL  18          2HG2      VAL  18   2.165  -3.885  -1.250
  140    H    HIS  19           H        HIS  19   4.656   0.170   0.521
  141    HA   HIS  19           HA       HIS  19   3.641   0.622   3.250
  142    HB2  HIS  19           2HB      HIS  19   6.230   1.807   2.352
  143    HB3  HIS  19           1HB      HIS  19   5.682   1.444   3.976
  144    HD1  HIS  19           1HD      HIS  19   5.098  -1.605   3.562
  145    HD2  HIS  19           2HD      HIS  19   8.499   0.398   2.328
  146    HE1  HIS  19           1HE      HIS  19   6.864  -3.377   3.317
  147    HE2  HIS  19           2HE      HIS  19   8.957  -2.136   2.650
  148    H    VAL  20           H        VAL  20   2.474   2.386   3.473
  149    HA   VAL  20           HA       VAL  20   2.760   4.542   1.501
  150    HB   VAL  20           HB       VAL  20   0.718   4.315   3.723
  151   HG11  VAL  20          1HG1      VAL  20   1.140   6.596   2.928
  152   HG12  VAL  20          2HG1      VAL  20  -0.477   6.048   2.487
  153   HG13  VAL  20          3HG1      VAL  20   0.804   6.083   1.273
  154   HG21  VAL  20          3HG2      VAL  20  -0.877   3.636   1.998
  155   HG22  VAL  20          1HG2      VAL  20   0.441   2.474   2.140
  156   HG23  VAL  20          2HG2      VAL  20   0.417   3.622   0.800
  157    H    PHE  21           H        PHE  21   4.101   6.132   2.011
  158    HA   PHE  21           HA       PHE  21   5.151   6.158   4.736
  159    HB2  PHE  21           2HB      PHE  21   6.220   7.330   2.165
  160    HB3  PHE  21           1HB      PHE  21   7.038   7.418   3.721
  161    HD1  PHE  21           2HD      PHE  21   7.639   5.169   4.857
  162    HD2  PHE  21           1HD      PHE  21   6.565   5.479   0.739
  163    HE1  PHE  21           2HE      PHE  21   8.770   3.047   4.401
  164    HE2  PHE  21           1HE      PHE  21   7.702   3.360   0.295
  165    HZ   PHE  21           HZ       PHE  21   8.806   2.142   2.118
  166    H    LYS  22           H        LYS  22   5.830   8.319   5.622
  167    HA   LYS  22           HA       LYS  22   3.567   9.910   6.038
  168    HB2  LYS  22           2HB      LYS  22   6.479  10.198   6.681
  169    HB3  LYS  22           1HB      LYS  22   5.407  11.562   6.946
  170    HG2  LYS  22           2HG      LYS  22   4.104  10.306   8.518
  171    HG3  LYS  22           1HG      LYS  22   5.009   8.833   8.148
  172    HD2  LYS  22           2HD      LYS  22   7.052   9.860   8.987
  173    HD3  LYS  22           1HD      LYS  22   6.184  11.358   9.309
  174    HE2  LYS  22           2HE      LYS  22   5.529   8.713  10.584
  175    HE3  LYS  22           1HE      LYS  22   6.582   9.926  11.309
  176    HZ1  LYS  22           3HZ      LYS  22   4.499  10.310  12.244
  177    HZ2  LYS  22           1HZ      LYS  22   3.672  10.104  10.775
  178    HZ3  LYS  22           2HZ      LYS  22   4.618  11.488  11.035
  179    H    ASP  23           H        ASP  23   6.020  10.129   3.621
  180    HA   ASP  23           HA       ASP  23   5.488  12.921   3.061
  181    HB2  ASP  23           2HB      ASP  23   7.309  12.597   1.323
  182    HB3  ASP  23           1HB      ASP  23   7.809  12.408   2.998
  183    H    GLY  24           H        GLY  24   4.069  10.124   2.455
  184    HA2  GLY  24           2HA      GLY  24   2.140   9.972   1.214
  185    HA3  GLY  24           1HA      GLY  24   2.681  11.325   0.251
  186    H    LYS  25           H        LYS  25   5.297   9.370   0.301
  187    HA   LYS  25           HA       LYS  25   4.679   8.259  -2.271
  188    HB2  LYS  25           2HB      LYS  25   7.106   8.129  -0.506
  189    HB3  LYS  25           1HB      LYS  25   6.988   7.249  -2.024
  190    HG2  LYS  25           2HG      LYS  25   7.504   9.054  -3.195
  191    HG3  LYS  25           1HG      LYS  25   6.269  10.015  -2.382
  192    HD2  LYS  25           2HD      LYS  25   8.530  10.917  -2.051
  193    HD3  LYS  25           1HD      LYS  25   7.756  10.434  -0.540
  194    HE2  LYS  25           2HE      LYS  25   8.982   8.260  -0.701
  195    HE3  LYS  25           1HE      LYS  25   9.861   8.923  -2.078
  196    HZ1  LYS  25           3HZ      LYS  25   9.845  10.082   0.657
  197    HZ2  LYS  25           1HZ      LYS  25  10.747  10.645  -0.669
  198    HZ3  LYS  25           2HZ      LYS  25  11.090   9.128   0.005
  199    H    MET  26           H        MET  26   5.441   5.915  -2.602
  200    HA   MET  26           HA       MET  26   4.544   4.188  -0.431
  201    HB2  MET  26           2HB      MET  26   3.593   4.006  -3.295
  202    HB3  MET  26           1HB      MET  26   3.372   2.736  -2.104
  203    HG2  MET  26           2HG      MET  26   1.344   3.789  -2.034
  204    HG3  MET  26           1HG      MET  26   2.198   4.604  -0.725
  205    HE1  MET  26           3HE      MET  26   2.708   5.096  -4.603
  206    HE2  MET  26           1HE      MET  26   1.567   6.397  -4.928
  207    HE3  MET  26           2HE      MET  26   0.976   4.811  -4.430
  208    H    GLY  27           H        GLY  27   5.631   2.335  -0.250
  209    HA2  GLY  27           2HA      GLY  27   7.759   1.841  -2.238
  210    HA3  GLY  27           1HA      GLY  27   8.013   1.673  -0.508
  211    H    MET  28           H        MET  28   7.969  -0.182  -2.975
  212    HA   MET  28           HA       MET  28   6.096  -2.156  -1.877
  213    HB2  MET  28           2HB      MET  28   5.564  -1.296  -4.156
  214    HB3  MET  28           1HB      MET  28   7.113  -1.899  -4.718
  215    HG2  MET  28           2HG      MET  28   5.117  -3.745  -3.474
  216    HG3  MET  28           1HG      MET  28   4.986  -3.272  -5.165
  217    HE1  MET  28           3HE      MET  28   6.358  -6.889  -5.479
  218    HE2  MET  28           1HE      MET  28   5.164  -5.729  -6.065
  219    HE3  MET  28           2HE      MET  28   5.137  -6.251  -4.382
  220    H    GLU  29           H        GLU  29   6.858  -4.057  -1.251
  221    HA   GLU  29           HA       GLU  29   9.582  -4.846  -2.035
  222    HB2  GLU  29           2HB      GLU  29   8.271  -4.932   0.678
  223    HB3  GLU  29           1HB      GLU  29   9.557  -6.059   0.267
  224    HG2  GLU  29           2HG      GLU  29  11.093  -4.258  -0.108
  225    HG3  GLU  29           1HG      GLU  29   9.814  -3.066   0.124
  226    H    ASN  30           H        ASN  30   9.866  -7.069  -2.399
  227    HA   ASN  30           HA       ASN  30   7.415  -8.500  -3.017
  228    HB2  ASN  30           2HB      ASN  30   8.822 -10.108  -4.134
  229    HB3  ASN  30           1HB      ASN  30   9.405  -8.502  -4.557
  230   HD21  ASN  30          1HD2      ASN  30  10.878 -10.866  -4.803
  231   HD22  ASN  30          2HD2      ASN  30  12.230 -10.774  -3.725
  232    H    LYS  31           H        LYS  31   7.294 -10.880  -2.344
  233    HA   LYS  31           HA       LYS  31   7.305 -11.221   0.390
  234    HB2  LYS  31           2HB      LYS  31   7.092 -13.664  -0.120
  235    HB3  LYS  31           1HB      LYS  31   5.962 -12.611  -0.956
  236    HG2  LYS  31           2HG      LYS  31   7.522 -12.693  -2.929
  237    HG3  LYS  31           1HG      LYS  31   8.376 -13.989  -2.084
  238    HD2  LYS  31           2HD      LYS  31   6.481 -15.396  -2.120
  239    HD3  LYS  31           1HD      LYS  31   5.412 -14.070  -2.576
  240    HE2  LYS  31           2HE      LYS  31   6.666 -13.912  -4.734
  241    HE3  LYS  31           1HE      LYS  31   7.525 -15.381  -4.275
  242    HZ1  LYS  31           3HZ      LYS  31   5.612 -15.805  -5.731
  243    HZ2  LYS  31           1HZ      LYS  31   4.570 -15.175  -4.547
  244    HZ3  LYS  31           2HZ      LYS  31   5.462 -16.586  -4.234
  245    H    PHE  32           H        PHE  32  10.073 -10.806  -1.187
  246    HA   PHE  32           HA       PHE  32  11.571 -12.581   0.616
  247    HB2  PHE  32           2HB      PHE  32  12.403 -11.420  -2.050
  248    HB3  PHE  32           1HB      PHE  32  13.492 -12.287  -0.969
  249    HD1  PHE  32           2HD      PHE  32  10.619 -12.598  -3.228
  250    HD2  PHE  32           1HD      PHE  32  13.341 -14.670  -0.702
  251    HE1  PHE  32           2HE      PHE  32   9.891 -14.733  -4.206
  252    HE2  PHE  32           1HE      PHE  32  12.620 -16.810  -1.674
  253    HZ   PHE  32           HZ       PHE  32  10.893 -16.846  -3.427
  254    H    GLY  33           H        GLY  33  10.454  -9.550   0.370
  255    HA2  GLY  33           2HA      GLY  33  10.835  -7.832   1.840
  256    HA3  GLY  33           1HA      GLY  33  12.228  -8.708   2.442
  257    H    LYS  34           H        LYS  34  12.076  -8.117  -0.962
  258    HA   LYS  34           HA       LYS  34  13.990  -5.917  -0.562
  259    HB2  LYS  34           2HB      LYS  34  15.103  -6.480  -2.583
  260    HB3  LYS  34           1HB      LYS  34  14.917  -7.956  -1.662
  261    HG2  LYS  34           2HG      LYS  34  14.399  -8.684  -3.761
  262    HG3  LYS  34           1HG      LYS  34  12.797  -8.266  -3.155
  263    HD2  LYS  34           2HD      LYS  34  13.109  -7.420  -5.422
  264    HD3  LYS  34           1HD      LYS  34  12.943  -6.092  -4.270
  265    HE2  LYS  34           2HE      LYS  34  15.390  -5.849  -4.228
  266    HE3  LYS  34           1HE      LYS  34  15.528  -7.142  -5.421
  267    HZ1  LYS  34           3HZ      LYS  34  15.647  -4.896  -6.391
  268    HZ2  LYS  34           1HZ      LYS  34  14.064  -4.592  -5.866
  269    HZ3  LYS  34           2HZ      LYS  34  14.358  -5.805  -7.017
  270    H    SER  35           H        SER  35  13.885  -4.105  -1.814
  271    HA   SER  35           HA       SER  35  11.164  -3.320  -2.296
  272    HB2  SER  35           2HB      SER  35  12.781  -1.858  -1.115
  273    HB3  SER  35           1HB      SER  35  13.704  -1.705  -2.609
  274    HG   SER  35           HG       SER  35  10.991  -1.116  -2.759
  275    H    MET  36           H        MET  36  10.157  -2.967  -4.158
  276    HA   MET  36           HA       MET  36  11.726  -2.723  -6.625
  277    HB2  MET  36           2HB      MET  36   9.223  -4.391  -6.273
  278    HB3  MET  36           1HB      MET  36   9.909  -3.966  -7.833
  279    HG2  MET  36           2HG      MET  36  12.006  -5.120  -7.138
  280    HG3  MET  36           1HG      MET  36  11.158  -5.672  -5.696
  281    HE1  MET  36           3HE      MET  36   8.315  -7.897  -7.306
  282    HE2  MET  36           1HE      MET  36   8.201  -6.166  -6.983
  283    HE3  MET  36           2HE      MET  36   8.966  -7.237  -5.807
  284    H    ASN  37           H        ASN  37  10.105  -1.906  -8.422
  285    HA   ASN  37           HA       ASN  37   8.814   0.439  -7.238
  286    HB2  ASN  37           2HB      ASN  37   9.625  -0.167 -10.087
  287    HB3  ASN  37           1HB      ASN  37   8.805   1.307  -9.584
  288   HD21  ASN  37          1HD2      ASN  37  10.216   1.462  -7.055
  289   HD22  ASN  37          2HD2      ASN  37  11.825   1.973  -7.419
  290    H    MET  38           H        MET  38   6.709   0.990  -7.589
  291    HA   MET  38           HA       MET  38   4.995  -1.288  -8.254
  292    HB2  MET  38           2HB      MET  38   4.645  -0.291  -6.067
  293    HB3  MET  38           1HB      MET  38   4.426   1.296  -6.792
  294    HG2  MET  38           2HG      MET  38   2.394   0.525  -7.890
  295    HG3  MET  38           1HG      MET  38   2.617  -1.078  -7.188
  296    HE1  MET  38           3HE      MET  38   2.177  -0.353  -3.369
  297    HE2  MET  38           1HE      MET  38   3.701  -0.289  -4.255
  298    HE3  MET  38           2HE      MET  38   2.535  -1.568  -4.597
  299    HA   PRO  39           HA       PRO  39   3.915   0.832 -12.032
  300    HB2  PRO  39           2HB      PRO  39   2.330  -1.125 -13.016
  301    HB3  PRO  39           1HB      PRO  39   4.094  -1.211 -13.066
  302    HG2  PRO  39           2HG      PRO  39   2.180  -2.516 -11.177
  303    HG3  PRO  39           1HG      PRO  39   3.648  -3.175 -11.922
  304    HD2  PRO  39           2HD      PRO  39   3.540  -2.234  -9.359
  305    HD3  PRO  39           1HD      PRO  39   5.015  -2.242 -10.342
  306    H    GLU  40           H        GLU  40   2.442   2.381 -12.107
  307    HA   GLU  40           HA       GLU  40   0.135   2.469 -10.474
  308    HB2  GLU  40           2HB      GLU  40   1.276   4.494 -11.268
  309    HB3  GLU  40           1HB      GLU  40   0.835   4.103 -12.923
  310    HG2  GLU  40           2HG      GLU  40  -1.531   4.327 -12.333
  311    HG3  GLU  40           1HG      GLU  40  -1.068   4.762 -10.690
  312    H    GLY  41           H        GLY  41  -2.017   2.082 -10.916
  313    HA2  GLY  41           2HA      GLY  41  -3.845   1.779 -12.422
  314    HA3  GLY  41           1HA      GLY  41  -2.713   1.199 -13.634
  315    H    LYS  42           H        LYS  42  -1.731  -0.257 -10.892
  316    HA   LYS  42           HA       LYS  42  -3.241  -2.689 -11.542
  317    HB2  LYS  42           2HB      LYS  42  -0.773  -2.355  -9.844
  318    HB3  LYS  42           1HB      LYS  42  -1.481  -3.874 -10.355
  319    HG2  LYS  42           2HG      LYS  42  -0.314  -1.831 -12.234
  320    HG3  LYS  42           1HG      LYS  42   0.558  -3.229 -11.608
  321    HD2  LYS  42           2HD      LYS  42  -0.160  -4.065 -13.612
  322    HD3  LYS  42           1HD      LYS  42  -1.520  -4.529 -12.589
  323    HE2  LYS  42           2HE      LYS  42  -2.735  -2.528 -13.301
  324    HE3  LYS  42           1HE      LYS  42  -1.374  -2.065 -14.321
  325    HZ1  LYS  42           3HZ      LYS  42  -3.011  -3.120 -15.664
  326    HZ2  LYS  42           1HZ      LYS  42  -3.097  -4.462 -14.627
  327    HZ3  LYS  42           2HZ      LYS  42  -1.694  -4.178 -15.535
  328    H    VAL  43           H        VAL  43  -4.884  -3.282 -10.228
  329    HA   VAL  43           HA       VAL  43  -4.802  -2.348  -7.456
  330    HB   VAL  43           HB       VAL  43  -6.959  -2.112  -8.745
  331   HG11  VAL  43          1HG1      VAL  43  -7.037  -5.096  -8.445
  332   HG12  VAL  43          2HG1      VAL  43  -7.111  -4.160  -9.939
  333   HG13  VAL  43          3HG1      VAL  43  -8.447  -4.092  -8.782
  334   HG21  VAL  43          3HG2      VAL  43  -8.375  -2.761  -6.861
  335   HG22  VAL  43          1HG2      VAL  43  -6.893  -1.967  -6.329
  336   HG23  VAL  43          2HG2      VAL  43  -7.049  -3.718  -6.199
  337    H    MET  44           H        MET  44  -4.250  -3.575  -5.840
  338    HA   MET  44           HA       MET  44  -3.584  -6.391  -6.409
  339    HB2  MET  44           2HB      MET  44  -2.121  -4.465  -4.587
  340    HB3  MET  44           1HB      MET  44  -1.663  -6.131  -4.916
  341    HG2  MET  44           2HG      MET  44  -1.176  -5.599  -7.209
  342    HG3  MET  44           1HG      MET  44  -1.782  -3.959  -6.993
  343    HE1  MET  44           3HE      MET  44   2.037  -3.323  -7.459
  344    HE2  MET  44           1HE      MET  44   0.409  -2.958  -8.029
  345    HE3  MET  44           2HE      MET  44   1.087  -4.569  -8.269
  346    H    GLU  45           H        GLU  45  -3.878  -7.866  -4.655
  347    HA   GLU  45           HA       GLU  45  -5.904  -6.909  -2.802
  348    HB2  GLU  45           2HB      GLU  45  -6.408  -8.719  -4.464
  349    HB3  GLU  45           1HB      GLU  45  -5.259  -9.739  -3.612
  350    HG2  GLU  45           2HG      GLU  45  -6.575  -9.793  -1.696
  351    HG3  GLU  45           1HG      GLU  45  -7.613  -8.482  -2.256
  352    H    THR  46           H        THR  46  -5.909  -7.786  -0.658
  353    HA   THR  46           HA       THR  46  -3.168  -7.963   0.406
  354    HB   THR  46           HB       THR  46  -4.081  -7.169   2.532
  355    HG1  THR  46           1HG      THR  46  -6.178  -7.054   2.875
  356   HG21  THR  46          3HG2      THR  46  -4.619  -4.881   1.861
  357   HG22  THR  46          1HG2      THR  46  -4.915  -5.426   0.209
  358   HG23  THR  46          2HG2      THR  46  -3.292  -5.519   0.893
  359    H    ARG  47           H        ARG  47  -2.843  -9.289   2.348
  360    HA   ARG  47           HA       ARG  47  -3.532 -11.912   2.155
  361    HB2  ARG  47           2HB      ARG  47  -3.140 -11.907   4.732
  362    HB3  ARG  47           1HB      ARG  47  -1.832 -11.583   3.610
  363    HG2  ARG  47           2HG      ARG  47  -1.890  -9.270   4.055
  364    HG3  ARG  47           1HG      ARG  47  -3.428  -9.407   4.916
  365    HD2  ARG  47           2HD      ARG  47  -2.462 -10.247   6.794
  366    HD3  ARG  47           1HD      ARG  47  -1.171 -11.042   5.898
  367    HE   ARG  47           HE       ARG  47  -0.138  -8.819   5.680
  368   HH11  ARG  47          1HH1      ARG  47  -2.539  -9.239   8.189
  369   HH12  ARG  47          2HH1      ARG  47  -1.825  -8.053   9.234
  370   HH21  ARG  47          1HH2      ARG  47   0.814  -7.291   7.043
  371   HH22  ARG  47          2HH2      ARG  47   0.078  -6.939   8.590
  372    H    ASP  48           H        ASP  48  -5.483  -9.418   3.550
  373    HA   ASP  48           HA       ASP  48  -7.163 -11.354   4.923
  374    HB2  ASP  48           2HB      ASP  48  -8.329  -9.376   5.835
  375    HB3  ASP  48           1HB      ASP  48  -6.594  -9.339   6.142
  376    H    GLY  49           H        GLY  49  -7.255  -9.215   2.120
  377    HA2  GLY  49           2HA      GLY  49  -8.613 -10.364   0.329
  378    HA3  GLY  49           1HA      GLY  49  -9.910 -10.332   1.509
  379    H    THR  50           H        THR  50  -7.771  -7.587   1.356
  380    HA   THR  50           HA       THR  50 -10.020  -6.010   0.324
  381    HB   THR  50           HB       THR  50  -7.549  -5.093   1.824
  382    HG1  THR  50           1HG      THR  50  -8.838  -6.243   3.245
  383   HG21  THR  50          3HG2      THR  50  -8.755  -2.992   2.109
  384   HG22  THR  50          1HG2      THR  50 -10.101  -3.624   1.161
  385   HG23  THR  50          2HG2      THR  50  -8.535  -3.357   0.398
  386    H    LYS  51           H        LYS  51  -9.393  -4.189  -1.183
  387    HA   LYS  51           HA       LYS  51  -7.131  -5.047  -2.870
  388    HB2  LYS  51           2HB      LYS  51  -9.689  -3.725  -3.795
  389    HB3  LYS  51           1HB      LYS  51  -8.365  -4.253  -4.821
  390    HG2  LYS  51           2HG      LYS  51  -9.857  -5.974  -5.093
  391    HG3  LYS  51           1HG      LYS  51  -8.871  -6.594  -3.767
  392    HD2  LYS  51           2HD      LYS  51 -10.531  -5.855  -2.154
  393    HD3  LYS  51           1HD      LYS  51 -11.500  -5.147  -3.445
  394    HE2  LYS  51           2HE      LYS  51 -12.502  -7.223  -2.910
  395    HE3  LYS  51           1HE      LYS  51 -11.657  -7.456  -4.436
  396    HZ1  LYS  51           3HZ      LYS  51 -11.359  -9.285  -2.826
  397    HZ2  LYS  51           1HZ      LYS  51 -10.550  -8.217  -1.790
  398    HZ3  LYS  51           2HZ      LYS  51  -9.893  -8.584  -3.313
  399    H    ILE  52           H        ILE  52  -5.702  -3.541  -3.559
  400    HA   ILE  52           HA       ILE  52  -6.210  -0.702  -2.887
  401    HB   ILE  52           HB       ILE  52  -3.988  -0.427  -2.033
  402   HG12  ILE  52          2HG1      ILE  52  -3.433  -3.318  -2.761
  403   HG13  ILE  52          1HG1      ILE  52  -2.848  -1.927  -3.664
  404   HG21  ILE  52          1HG2      ILE  52  -3.944  -1.896  -0.102
  405   HG22  ILE  52          2HG2      ILE  52  -5.036  -3.021  -0.911
  406   HG23  ILE  52          3HG2      ILE  52  -5.601  -1.411  -0.465
  407   HD11  ILE  52          3HD1      ILE  52  -1.587  -1.204  -1.684
  408   HD12  ILE  52          1HD1      ILE  52  -1.105  -2.803  -2.254
  409   HD13  ILE  52          2HD1      ILE  52  -2.135  -2.647  -0.832
  410    H    ILE  53           H        ILE  53  -4.896   0.790  -4.258
  411    HA   ILE  53           HA       ILE  53  -3.264  -0.322  -6.363
  412    HB   ILE  53           HB       ILE  53  -5.157  -0.662  -7.681
  413   HG12  ILE  53          2HG1      ILE  53  -4.011   2.051  -8.316
  414   HG13  ILE  53          1HG1      ILE  53  -3.575   0.498  -9.013
  415   HG21  ILE  53          1HG2      ILE  53  -6.854   0.364  -6.342
  416   HG22  ILE  53          2HG2      ILE  53  -6.970   1.003  -7.982
  417   HG23  ILE  53          3HG2      ILE  53  -6.233   1.975  -6.709
  418   HD11  ILE  53          3HD1      ILE  53  -4.847   1.899 -10.557
  419   HD12  ILE  53          1HD1      ILE  53  -6.197   1.917  -9.423
  420   HD13  ILE  53          2HD1      ILE  53  -5.701   0.400 -10.174
  421    H    MET  54           H        MET  54  -1.901   1.105  -7.295
  422    HA   MET  54           HA       MET  54  -1.801   3.785  -6.114
  423    HB2  MET  54           2HB      MET  54   0.305   2.608  -6.062
  424    HB3  MET  54           1HB      MET  54   0.176   2.186  -7.764
  425    HG2  MET  54           2HG      MET  54   0.388   4.550  -8.358
  426    HG3  MET  54           1HG      MET  54   0.545   4.953  -6.647
  427    HE1  MET  54           3HE      MET  54   4.147   5.478  -8.224
  428    HE2  MET  54           1HE      MET  54   2.808   6.274  -7.397
  429    HE3  MET  54           2HE      MET  54   2.609   5.705  -9.055
  430    H    LYS  55           H        LYS  55  -2.920   5.267  -7.168
  431    HA   LYS  55           HA       LYS  55  -2.617   5.481 -10.054
  432    HB2  LYS  55           2HB      LYS  55  -4.679   4.139  -9.692
  433    HB3  LYS  55           1HB      LYS  55  -5.347   5.461  -8.746
  434    HG2  LYS  55           2HG      LYS  55  -6.206   5.386 -11.054
  435    HG3  LYS  55           1HG      LYS  55  -5.378   6.897 -10.678
  436    HD2  LYS  55           2HD      LYS  55  -3.390   6.135 -11.837
  437    HD3  LYS  55           1HD      LYS  55  -4.132   4.563 -12.130
  438    HE2  LYS  55           2HE      LYS  55  -5.755   5.518 -13.593
  439    HE3  LYS  55           1HE      LYS  55  -5.274   7.157 -13.149
  440    HZ1  LYS  55           3HZ      LYS  55  -4.409   6.342 -15.333
  441    HZ2  LYS  55           1HZ      LYS  55  -3.447   5.234 -14.484
  442    HZ3  LYS  55           2HZ      LYS  55  -3.219   6.905 -14.264
  443    H    GLY  56           H        GLY  56  -2.333   7.521 -10.658
  444    HA2  GLY  56           2HA      GLY  56  -2.392   9.821 -10.630
  445    HA3  GLY  56           1HA      GLY  56  -3.580   9.732  -9.337
  446    H    ASN  57           H        ASN  57  -0.301   8.413  -9.405
  447    HA   ASN  57           HA       ASN  57   1.474   8.656  -8.001
  448    HB2  ASN  57           2HB      ASN  57   1.144  11.018  -9.132
  449    HB3  ASN  57           1HB      ASN  57   0.717  11.511  -7.498
  450   HD21  ASN  57          1HD2      ASN  57   2.529   9.845  -6.081
  451   HD22  ASN  57          2HD2      ASN  57   4.128  10.431  -6.397
  452    H    GLU  58           H        GLU  58  -1.003   7.814  -6.889
  453    HA   GLU  58           HA       GLU  58  -0.482   8.278  -4.071
  454    HB2  GLU  58           2HB      GLU  58  -3.177   8.833  -5.334
  455    HB3  GLU  58           1HB      GLU  58  -2.921   8.642  -3.609
  456    HG2  GLU  58           2HG      GLU  58  -1.324  10.587  -3.748
  457    HG3  GLU  58           1HG      GLU  58  -1.908  10.840  -5.393
  458    H    ILE  59           H        ILE  59  -2.130   6.803  -2.804
  459    HA   ILE  59           HA       ILE  59  -2.597   4.426  -4.449
  460    HB   ILE  59           HB       ILE  59  -0.586   4.419  -2.741
  461   HG12  ILE  59          2HG1      ILE  59  -2.493   2.087  -2.920
  462   HG13  ILE  59          1HG1      ILE  59  -1.422   2.591  -4.225
  463   HG21  ILE  59          1HG2      ILE  59  -1.201   3.408  -0.598
  464   HG22  ILE  59          2HG2      ILE  59  -2.908   3.601  -1.001
  465   HG23  ILE  59          3HG2      ILE  59  -1.890   5.025  -0.771
  466   HD11  ILE  59          3HD1      ILE  59  -0.550   1.666  -1.499
  467   HD12  ILE  59          1HD1      ILE  59   0.508   2.139  -2.829
  468   HD13  ILE  59          2HD1      ILE  59  -0.515   0.711  -2.982
  469    H    PHE  60           H        PHE  60  -4.487   3.523  -4.317
  470    HA   PHE  60           HA       PHE  60  -6.432   4.447  -2.346
  471    HB2  PHE  60           2HB      PHE  60  -7.683   4.361  -4.227
  472    HB3  PHE  60           1HB      PHE  60  -6.527   3.332  -5.054
  473    HD1  PHE  60           1HD      PHE  60  -6.664   0.792  -4.629
  474    HD2  PHE  60           2HD      PHE  60  -9.682   3.526  -3.430
  475    HE1  PHE  60           1HE      PHE  60  -8.265  -1.072  -4.356
  476    HE2  PHE  60           2HE      PHE  60 -11.270   1.696  -3.163
  477    HZ   PHE  60           HZ       PHE  60 -10.481  -0.719  -3.964
  478    H    ARG  61           H        ARG  61  -6.948   3.325  -0.697
  479    HA   ARG  61           HA       ARG  61  -7.041   0.468  -0.712
  480    HB2  ARG  61           2HB      ARG  61  -4.825   0.475   0.101
  481    HB3  ARG  61           1HB      ARG  61  -5.045   1.978   0.970
  482    HG2  ARG  61           2HG      ARG  61  -4.748  -0.012   2.416
  483    HG3  ARG  61           1HG      ARG  61  -6.237   0.877   2.718
  484    HD2  ARG  61           2HD      ARG  61  -7.538  -0.764   1.599
  485    HD3  ARG  61           1HD      ARG  61  -6.102  -1.555   0.955
  486    HE   ARG  61           HE       ARG  61  -6.067  -2.801   2.848
  487   HH11  ARG  61          1HH1      ARG  61  -7.481   0.289   3.715
  488   HH12  ARG  61          2HH1      ARG  61  -7.857  -0.196   5.340
  489   HH21  ARG  61          1HH2      ARG  61  -6.567  -3.436   4.979
  490   HH22  ARG  61          2HH2      ARG  61  -7.358  -2.311   6.049
  491    H    LEU  62           H        LEU  62  -9.329   0.676  -0.274
  492    HA   LEU  62           HA       LEU  62 -11.112   1.020   1.002
  493    HB2  LEU  62           2HB      LEU  62  -9.036   1.648   2.976
  494    HB3  LEU  62           1HB      LEU  62 -10.545   2.507   3.208
  495    HG   LEU  62           HG       LEU  62 -10.442   0.416   4.496
  496   HD11  LEU  62          1HD1      LEU  62 -12.599   1.316   3.822
  497   HD12  LEU  62          2HD1      LEU  62 -12.634  -0.448   3.777
  498   HD13  LEU  62          3HD1      LEU  62 -12.490   0.471   2.278
  499   HD21  LEU  62          3HD2      LEU  62 -10.507  -1.721   3.349
  500   HD22  LEU  62          1HD2      LEU  62  -9.055  -0.837   2.867
  501   HD23  LEU  62          2HD2      LEU  62 -10.445  -0.912   1.781
  502    H    ASP  63           H        ASP  63  -8.827   3.711   1.016
  503    HA   ASP  63           HA       ASP  63  -9.025   5.891   0.459
  504    HB2  ASP  63           2HB      ASP  63 -10.162   5.384  -1.567
  505    HB3  ASP  63           1HB      ASP  63 -11.636   4.963  -0.711
  506    H    GLU  64           H        GLU  64 -12.129   4.732   1.574
  507    HA   GLU  64           HA       GLU  64 -12.935   6.946   3.051
  508    HB2  GLU  64           2HB      GLU  64 -14.374   5.035   2.419
  509    HB3  GLU  64           1HB      GLU  64 -13.531   4.031   3.590
  510    HG2  GLU  64           2HG      GLU  64 -14.269   5.721   5.330
  511    HG3  GLU  64           1HG      GLU  64 -15.356   6.349   4.093
  512    H    ALA  65           H        ALA  65 -10.839   4.270   3.927
  513    HA   ALA  65           HA       ALA  65 -10.854   4.400   6.679
  514    HB1  ALA  65           1HB      ALA  65  -9.724   2.650   5.353
  515    HB2  ALA  65           2HB      ALA  65  -8.701   3.310   6.635
  516    HB3  ALA  65           3HB      ALA  65  -8.446   3.807   4.962
  517    H    LEU  66           H        LEU  66  -8.401   5.946   4.601
  518    HA   LEU  66           HA       LEU  66  -7.559   7.581   6.814
  519    HB2  LEU  66           2HB      LEU  66  -5.742   8.324   5.443
  520    HB3  LEU  66           1HB      LEU  66  -5.865   6.585   5.389
  521    HG   LEU  66           HG       LEU  66  -5.234   7.384   3.236
  522   HD11  LEU  66          1HD1      LEU  66  -8.140   6.690   2.984
  523   HD12  LEU  66          2HD1      LEU  66  -6.861   5.514   3.291
  524   HD13  LEU  66          3HD1      LEU  66  -6.861   6.447   1.796
  525   HD21  LEU  66          3HD2      LEU  66  -7.593   9.209   3.451
  526   HD22  LEU  66          1HD2      LEU  66  -6.719   8.917   1.941
  527   HD23  LEU  66          2HD2      LEU  66  -5.890   9.644   3.319
  528    H    ARG  67           H        ARG  67  -9.777   7.852   4.317
  529    HA   ARG  67           HA       ARG  67  -9.782  10.675   3.984
  530    HB2  ARG  67           2HB      ARG  67 -10.805   9.129   2.382
  531    HB3  ARG  67           1HB      ARG  67 -11.965   8.624   3.597
  532    HG2  ARG  67           2HG      ARG  67 -12.952  10.838   3.604
  533    HG3  ARG  67           1HG      ARG  67 -11.761  11.385   2.421
  534    HD2  ARG  67           2HD      ARG  67 -12.569   9.592   0.890
  535    HD3  ARG  67           1HD      ARG  67 -13.845   9.248   2.052
  536    HE   ARG  67           HE       ARG  67 -14.351  11.782   1.642
  537   HH11  ARG  67          1HH1      ARG  67 -13.339   9.378  -0.693
  538   HH12  ARG  67          2HH1      ARG  67 -14.202  10.105  -2.018
  539   HH21  ARG  67          1HH2      ARG  67 -15.522  12.737  -0.096
  540   HH22  ARG  67          2HH2      ARG  67 -15.441  12.008  -1.681
  541    H    LYS  68           H        LYS  68 -12.219   8.623   5.565
  542    HA   LYS  68           HA       LYS  68 -12.438  10.611   7.706
  543    HB2  LYS  68           2HB      LYS  68 -14.750   9.385   6.187
  544    HB3  LYS  68           1HB      LYS  68 -14.918  10.308   7.675
  545    HG2  LYS  68           2HG      LYS  68 -13.814  11.347   5.065
  546    HG3  LYS  68           1HG      LYS  68 -15.420  11.673   5.724
  547    HD2  LYS  68           2HD      LYS  68 -12.848  12.384   7.129
  548    HD3  LYS  68           1HD      LYS  68 -13.740  13.498   6.091
  549    HE2  LYS  68           2HE      LYS  68 -15.646  13.419   7.552
  550    HE3  LYS  68           1HE      LYS  68 -14.906  12.144   8.517
  551    HZ1  LYS  68           3HZ      LYS  68 -13.508  13.598   9.541
  552    HZ2  LYS  68           1HZ      LYS  68 -14.809  14.641   9.254
  553    HZ3  LYS  68           2HZ      LYS  68 -13.456  14.680   8.231
  554    H    GLY  69           H        GLY  69 -11.765   9.558   9.404
  555    HA2  GLY  69           2HA      GLY  69 -12.793   7.656  10.896
  556    HA3  GLY  69           1HA      GLY  69 -12.122   6.667   9.601
  557    H    HIS  70           H        HIS  70  -9.787   7.231   9.049
  558    HA   HIS  70           HA       HIS  70  -8.164   7.027  11.372
  559    HB2  HIS  70           2HB      HIS  70  -7.517   6.052   9.208
  560    HB3  HIS  70           1HB      HIS  70  -7.400   7.660   8.509
  561    HD1  HIS  70           1HD      HIS  70  -5.682   5.400  10.989
  562    HD2  HIS  70           2HD      HIS  70  -5.000   8.950   8.927
  563    HE1  HIS  70           1HE      HIS  70  -3.247   5.943  11.347
  564    HE2  HIS  70           2HE      HIS  70  -2.907   8.185  10.237
  565    H    SER  71           H        SER  71  -9.143   9.675   9.310
  566    HA   SER  71           HA       SER  71  -7.340  11.548  10.559
  567    HB2  SER  71           2HB      SER  71  -9.577  11.985   8.561
  568    HB3  SER  71           1HB      SER  71  -8.420  13.212   9.078
  569    HG   SER  71           HG       SER  71  -8.137  11.419   7.141
  570    H    GLU  72           H        GLU  72 -10.032  10.124  11.666
  571    HA   GLU  72           HA       GLU  72 -11.321  12.428  12.849
  572    HB2  GLU  72           2HB      GLU  72 -11.646   9.464  13.379
  573    HB3  GLU  72           1HB      GLU  72 -12.654  10.723  14.074
  574    HG2  GLU  72           2HG      GLU  72 -12.394  10.264  11.118
  575    HG3  GLU  72           1HG      GLU  72 -13.620   9.490  12.118
  576    H    GLY  73           H        GLY  73 -10.004   9.512  14.384
  577    HA2  GLY  73           2HA      GLY  73  -8.157  11.010  16.003
  578    HA3  GLY  73           1HA      GLY  73  -9.554  10.424  16.899
  579    H    GLY  74           H        GLY  74  -6.494   9.729  16.544
  580    HA2  GLY  74           2HA      GLY  74  -6.951   6.810  16.451
  581    HA3  GLY  74           1HA      GLY  74  -5.554   7.559  15.689
  Start of MODEL   16
    1    H1   VAL   1           1HT      VAL   1  12.182  -2.087   3.589
    2    H2   VAL   1           2HT      VAL   1  13.776  -1.984   4.147
    3    H3   VAL   1           3HT      VAL   1  13.414  -1.565   2.547
    4    HA   VAL   1           HA       VAL   1  13.724   0.436   3.736
    5    HB   VAL   1           HB       VAL   1  11.560   1.531   3.505
    6   HG11  VAL   1          2HG1      VAL   1  12.023  -0.539   1.362
    7   HG12  VAL   1          3HG1      VAL   1  12.780   1.051   1.465
    8   HG13  VAL   1          1HG1      VAL   1  11.043   0.918   1.182
    9   HG21  VAL   1          1HG2      VAL   1  10.151  -0.127   4.592
   10   HG22  VAL   1          2HG2      VAL   1  10.411  -1.246   3.255
   11   HG23  VAL   1          3HG2      VAL   1   9.526   0.255   2.986
   12    H    ASP   2           H        ASP   2  13.167   1.839   5.523
   13    HA   ASP   2           HA       ASP   2  12.898   0.349   7.983
   14    HB2  ASP   2           2HB      ASP   2  13.474   3.214   7.321
   15    HB3  ASP   2           1HB      ASP   2  12.989   2.778   8.955
   16    H    MET   3           H        MET   3  11.402   0.901   9.661
   17    HA   MET   3           HA       MET   3   8.727   1.351   8.579
   18    HB2  MET   3           2HB      MET   3   9.620   0.493  11.338
   19    HB3  MET   3           1HB      MET   3   7.961   0.543  10.771
   20    HG2  MET   3           2HG      MET   3  10.097  -1.187   9.559
   21    HG3  MET   3           1HG      MET   3   8.999  -1.719  10.818
   22    HE1  MET   3           3HE      MET   3   9.699  -1.686   7.194
   23    HE2  MET   3           1HE      MET   3   9.059  -0.043   7.255
   24    HE3  MET   3           2HE      MET   3   8.185  -1.298   6.377
   25    H    SER   4           H        SER   4  11.055   3.331   9.609
   26    HA   SER   4           HA       SER   4   9.853   4.771  11.754
   27    HB2  SER   4           2HB      SER   4  11.992   5.829   9.911
   28    HB3  SER   4           1HB      SER   4  11.758   6.166  11.627
   29    HG   SER   4           HG       SER   4  13.439   4.507  10.742
   30    H    ASN   5           H        ASN   5   9.737   4.854   8.339
   31    HA   ASN   5           HA       ASN   5   8.385   7.452   8.360
   32    HB2  ASN   5           2HB      ASN   5   9.136   7.576   5.947
   33    HB3  ASN   5           1HB      ASN   5  10.411   7.661   7.155
   34   HD21  ASN   5          1HD2      ASN   5   8.878   4.608   6.410
   35   HD22  ASN   5          2HD2      ASN   5  10.236   3.924   5.587
   36    H    VAL   6           H        VAL   6   7.378   4.639   8.639
   37    HA   VAL   6           HA       VAL   6   5.675   4.512   6.250
   38    HB   VAL   6           HB       VAL   6   6.581   2.279   8.072
   39   HG11  VAL   6          1HG1      VAL   6   4.287   1.894   7.415
   40   HG12  VAL   6          2HG1      VAL   6   5.352   0.794   6.539
   41   HG13  VAL   6          3HG1      VAL   6   4.692   2.214   5.730
   42   HG21  VAL   6          3HG2      VAL   6   7.644   1.396   6.054
   43   HG22  VAL   6          1HG2      VAL   6   8.274   2.988   6.480
   44   HG23  VAL   6          2HG2      VAL   6   7.119   2.820   5.157
   45    H    VAL   7           H        VAL   7   3.702   5.150   6.588
   46    HA   VAL   7           HA       VAL   7   2.708   5.249   9.317
   47    HB   VAL   7           HB       VAL   7   2.593   7.177   7.616
   48   HG11  VAL   7          1HG1      VAL   7   0.474   7.271   6.341
   49   HG12  VAL   7          2HG1      VAL   7   0.229   5.559   6.695
   50   HG13  VAL   7          3HG1      VAL   7   1.623   6.077   5.741
   51   HG21  VAL   7          3HG2      VAL   7   0.203   6.382   9.246
   52   HG22  VAL   7          1HG2      VAL   7   0.543   8.008   8.648
   53   HG23  VAL   7          2HG2      VAL   7   1.638   7.245   9.807
   54    H    LYS   8           H        LYS   8   2.370   3.355   6.502
   55    HA   LYS   8           HA       LYS   8   0.862   1.417   7.916
   56    HB2  LYS   8           2HB      LYS   8  -0.996   2.908   7.293
   57    HB3  LYS   8           1HB      LYS   8  -0.550   2.757   5.599
   58    HG2  LYS   8           2HG      LYS   8  -2.411   1.312   6.066
   59    HG3  LYS   8           1HG      LYS   8  -0.980   0.327   5.748
   60    HD2  LYS   8           2HD      LYS   8  -0.638   0.137   8.202
   61    HD3  LYS   8           1HD      LYS   8  -2.159   0.994   8.445
   62    HE2  LYS   8           2HE      LYS   8  -3.336  -0.781   7.224
   63    HE3  LYS   8           1HE      LYS   8  -1.811  -1.642   7.015
   64    HZ1  LYS   8           3HZ      LYS   8  -3.025  -2.550   8.872
   65    HZ2  LYS   8           1HZ      LYS   8  -3.133  -1.019   9.600
   66    HZ3  LYS   8           2HZ      LYS   8  -1.629  -1.774   9.444
   67    H    THR   9           H        THR   9   1.403  -0.455   7.253
   68    HA   THR   9           HA       THR   9   2.611  -0.778   4.592
   69    HB   THR   9           HB       THR   9   2.898  -2.379   7.119
   70    HG1  THR   9           1HG      THR   9   4.413  -0.999   7.481
   71   HG21  THR   9          3HG2      THR   9   4.223  -2.858   4.458
   72   HG22  THR   9          1HG2      THR   9   2.995  -3.885   5.198
   73   HG23  THR   9          2HG2      THR   9   4.580  -3.721   5.954
   74    H    TYR  10           H        TYR  10   1.920  -2.434   3.265
   75    HA   TYR  10           HA       TYR  10  -0.436  -3.939   4.142
   76    HB2  TYR  10           2HB      TYR  10  -0.018  -2.396   1.630
   77    HB3  TYR  10           1HB      TYR  10  -1.026  -3.847   1.601
   78    HD1  TYR  10           2HD      TYR  10  -2.844  -3.982   3.489
   79    HD2  TYR  10           1HD      TYR  10  -0.953  -0.407   2.196
   80    HE1  TYR  10           2HE      TYR  10  -4.736  -2.671   4.355
   81    HE2  TYR  10           1HE      TYR  10  -2.829   0.911   3.040
   82    HH   TYR  10           HH       TYR  10  -5.239   0.567   3.532
   83    H    ASP  11           H        ASP  11  -0.511  -5.947   3.823
   84    HA   ASP  11           HA       ASP  11   1.866  -7.186   2.651
   85    HB2  ASP  11           2HB      ASP  11   0.470  -7.683   5.056
   86    HB3  ASP  11           1HB      ASP  11   0.158  -9.048   4.003
   87    H    LEU  12           H        LEU  12   1.693  -8.147   0.847
   88    HA   LEU  12           HA       LEU  12  -0.902  -8.415  -0.453
   89    HB2  LEU  12           2HB      LEU  12   1.858  -9.041  -1.526
   90    HB3  LEU  12           1HB      LEU  12   0.376  -9.034  -2.461
   91    HG   LEU  12           HG       LEU  12   1.795  -6.663  -1.253
   92   HD11  LEU  12          1HD1      LEU  12   1.852  -5.904  -3.587
   93   HD12  LEU  12          2HD1      LEU  12   1.085  -7.412  -4.084
   94   HD13  LEU  12          3HD1      LEU  12   2.694  -7.437  -3.364
   95   HD21  LEU  12          3HD2      LEU  12  -0.611  -6.415  -0.905
   96   HD22  LEU  12          1HD2      LEU  12  -0.891  -6.717  -2.618
   97   HD23  LEU  12          2HD2      LEU  12  -0.010  -5.278  -2.110
   98    H    GLN  13           H        GLN  13  -1.666 -10.445  -1.278
   99    HA   GLN  13           HA       GLN  13  -1.311 -12.595   0.523
  100    HB2  GLN  13           2HB      GLN  13  -2.688 -12.330  -2.139
  101    HB3  GLN  13           1HB      GLN  13  -2.684 -13.838  -1.233
  102    HG2  GLN  13           2HG      GLN  13  -3.713 -12.662   0.662
  103    HG3  GLN  13           1HG      GLN  13  -3.764 -11.190  -0.301
  104   HE21  GLN  13          1HE2      GLN  13  -5.996 -11.076  -0.125
  105   HE22  GLN  13          2HE2      GLN  13  -7.046 -12.128  -1.015
  106    H    ASP  14           H        ASP  14   0.572 -11.557  -1.969
  107    HA   ASP  14           HA       ASP  14   1.629 -14.134  -2.798
  108    HB2  ASP  14           2HB      ASP  14   1.581 -12.571  -4.573
  109    HB3  ASP  14           1HB      ASP  14   2.179 -11.266  -3.555
  110    H    GLY  15           H        GLY  15   2.129 -11.695  -0.495
  111    HA2  GLY  15           2HA      GLY  15   3.594 -12.192   1.393
  112    HA3  GLY  15           1HA      GLY  15   4.754 -12.823   0.240
  113    H    SER  16           H        SER  16   4.075 -10.584  -1.610
  114    HA   SER  16           HA       SER  16   6.186  -8.873  -0.835
  115    HB2  SER  16           2HB      SER  16   4.084  -8.481  -2.974
  116    HB3  SER  16           1HB      SER  16   5.583  -7.571  -2.830
  117    HG   SER  16           HG       SER  16   5.183 -10.257  -3.602
  118    H    LYS  17           H        LYS  17   6.004  -6.528  -0.519
  119    HA   LYS  17           HA       LYS  17   3.618  -5.930   1.091
  120    HB2  LYS  17           2HB      LYS  17   6.446  -5.124   1.764
  121    HB3  LYS  17           1HB      LYS  17   5.018  -4.974   2.784
  122    HG2  LYS  17           2HG      LYS  17   4.853  -7.485   2.717
  123    HG3  LYS  17           1HG      LYS  17   6.449  -7.481   1.957
  124    HD2  LYS  17           2HD      LYS  17   7.373  -6.325   3.884
  125    HD3  LYS  17           1HD      LYS  17   5.776  -6.294   4.643
  126    HE2  LYS  17           2HE      LYS  17   7.488  -8.690   4.025
  127    HE3  LYS  17           1HE      LYS  17   6.953  -8.121   5.604
  128    HZ1  LYS  17           3HZ      LYS  17   4.643  -8.645   4.917
  129    HZ2  LYS  17           1HZ      LYS  17   5.653 -10.013   4.958
  130    HZ3  LYS  17           2HZ      LYS  17   5.246  -9.304   3.479
  131    H    VAL  18           H        VAL  18   2.899  -3.884   1.170
  132    HA   VAL  18           HA       VAL  18   4.231  -1.859  -0.523
  133    HB   VAL  18           HB       VAL  18   1.265  -2.281  -0.003
  134   HG11  VAL  18          1HG1      VAL  18   0.906  -0.352  -1.530
  135   HG12  VAL  18          2HG1      VAL  18   2.640  -0.035  -1.488
  136   HG13  VAL  18          3HG1      VAL  18   1.683   0.101  -0.010
  137   HG21  VAL  18          3HG2      VAL  18   1.113  -2.593  -2.433
  138   HG22  VAL  18          1HG2      VAL  18   2.180  -3.783  -1.686
  139   HG23  VAL  18          2HG2      VAL  18   2.860  -2.414  -2.561
  140    H    HIS  19           H        HIS  19   4.363   0.247   0.405
  141    HA   HIS  19           HA       HIS  19   3.089   0.546   3.040
  142    HB2  HIS  19           2HB      HIS  19   5.766   1.805   2.518
  143    HB3  HIS  19           1HB      HIS  19   4.957   1.542   4.052
  144    HD1  HIS  19           1HD      HIS  19   5.352  -0.733   5.215
  145    HD2  HIS  19           2HD      HIS  19   7.116  -0.347   1.496
  146    HE1  HIS  19           1HE      HIS  19   6.946  -2.670   5.025
  147    HE2  HIS  19           2HE      HIS  19   8.091  -2.377   2.799
  148    H    VAL  20           H        VAL  20   2.034   2.391   3.292
  149    HA   VAL  20           HA       VAL  20   2.502   4.538   1.355
  150    HB   VAL  20           HB       VAL  20   0.405   4.384   3.536
  151   HG11  VAL  20          1HG1      VAL  20   0.730   6.299   1.219
  152   HG12  VAL  20          2HG1      VAL  20   0.982   6.677   2.924
  153   HG13  VAL  20          3HG1      VAL  20  -0.632   6.267   2.340
  154   HG21  VAL  20          3HG2      VAL  20   0.062   3.962   0.567
  155   HG22  VAL  20          1HG2      VAL  20  -1.186   3.834   1.804
  156   HG23  VAL  20          2HG2      VAL  20   0.134   2.662   1.756
  157    H    PHE  21           H        PHE  21   4.062   5.844   1.874
  158    HA   PHE  21           HA       PHE  21   5.231   5.690   4.496
  159    HB2  PHE  21           2HB      PHE  21   6.007   7.085   1.938
  160    HB3  PHE  21           1HB      PHE  21   6.925   7.272   3.428
  161    HD1  PHE  21           1HD      PHE  21   5.885   4.798   0.828
  162    HD2  PHE  21           2HD      PHE  21   8.398   5.599   4.180
  163    HE1  PHE  21           1HE      PHE  21   7.183   2.780   0.346
  164    HE2  PHE  21           2HE      PHE  21   9.694   3.571   3.689
  165    HZ   PHE  21           HZ       PHE  21   9.085   2.157   1.770
  166    H    LYS  22           H        LYS  22   5.777   7.560   5.767
  167    HA   LYS  22           HA       LYS  22   3.526   9.233   6.240
  168    HB2  LYS  22           2HB      LYS  22   6.341   9.186   7.334
  169    HB3  LYS  22           1HB      LYS  22   5.108  10.293   7.922
  170    HG2  LYS  22           2HG      LYS  22   3.855   8.592   8.880
  171    HG3  LYS  22           1HG      LYS  22   4.604   7.348   7.880
  172    HD2  LYS  22           2HD      LYS  22   5.327   7.293  10.255
  173    HD3  LYS  22           1HD      LYS  22   6.652   7.499   9.110
  174    HE2  LYS  22           2HE      LYS  22   6.731   9.874   9.583
  175    HE3  LYS  22           1HE      LYS  22   5.342   9.729  10.662
  176    HZ1  LYS  22           3HZ      LYS  22   6.650   8.283  12.091
  177    HZ2  LYS  22           1HZ      LYS  22   7.419   9.785  11.899
  178    HZ3  LYS  22           2HZ      LYS  22   7.983   8.424  11.055
  179    H    ASP  23           H        ASP  23   6.284   9.453   4.302
  180    HA   ASP  23           HA       ASP  23   6.375  12.299   4.011
  181    HB2  ASP  23           2HB      ASP  23   8.385  10.821   3.812
  182    HB3  ASP  23           1HB      ASP  23   7.679  10.108   2.370
  183    H    GLY  24           H        GLY  24   4.405   9.874   3.053
  184    HA2  GLY  24           2HA      GLY  24   2.500  10.113   1.806
  185    HA3  GLY  24           1HA      GLY  24   3.182  11.551   1.089
  186    H    LYS  25           H        LYS  25   5.485   9.206   0.926
  187    HA   LYS  25           HA       LYS  25   4.899   8.587  -1.829
  188    HB2  LYS  25           2HB      LYS  25   7.191   7.863  -0.025
  189    HB3  LYS  25           1HB      LYS  25   7.042   7.298  -1.686
  190    HG2  LYS  25           2HG      LYS  25   6.966   9.646  -2.431
  191    HG3  LYS  25           1HG      LYS  25   7.250  10.133  -0.764
  192    HD2  LYS  25           2HD      LYS  25   9.059   8.366  -2.378
  193    HD3  LYS  25           1HD      LYS  25   9.312  10.092  -2.125
  194    HE2  LYS  25           2HE      LYS  25   9.531   9.743   0.263
  195    HE3  LYS  25           1HE      LYS  25   9.167   8.029   0.073
  196    HZ1  LYS  25           3HZ      LYS  25  11.187   7.722  -1.144
  197    HZ2  LYS  25           1HZ      LYS  25  11.565   8.515   0.310
  198    HZ3  LYS  25           2HZ      LYS  25  11.510   9.385  -1.151
  199    H    MET  26           H        MET  26   5.469   6.237  -2.400
  200    HA   MET  26           HA       MET  26   4.374   4.324  -0.497
  201    HB2  MET  26           2HB      MET  26   3.363   4.686  -3.322
  202    HB3  MET  26           1HB      MET  26   3.063   3.245  -2.363
  203    HG2  MET  26           2HG      MET  26   1.142   4.398  -1.973
  204    HG3  MET  26           1HG      MET  26   2.125   4.971  -0.631
  205    HE1  MET  26           3HE      MET  26   0.345   5.854  -3.970
  206    HE2  MET  26           1HE      MET  26   2.036   5.860  -4.472
  207    HE3  MET  26           2HE      MET  26   1.119   7.369  -4.438
  208    H    GLY  27           H        GLY  27   5.262   2.300  -0.670
  209    HA2  GLY  27           2HA      GLY  27   7.238   1.913  -2.808
  210    HA3  GLY  27           1HA      GLY  27   7.769   1.838  -1.137
  211    H    MET  28           H        MET  28   7.874  -0.225  -3.160
  212    HA   MET  28           HA       MET  28   6.100  -2.212  -1.915
  213    HB2  MET  28           2HB      MET  28   5.452  -1.673  -4.245
  214    HB3  MET  28           1HB      MET  28   7.054  -2.152  -4.785
  215    HG2  MET  28           2HG      MET  28   6.627  -4.428  -3.944
  216    HG3  MET  28           1HG      MET  28   4.996  -3.930  -3.496
  217    HE1  MET  28           3HE      MET  28   5.570  -6.449  -5.338
  218    HE2  MET  28           1HE      MET  28   4.342  -6.228  -6.585
  219    HE3  MET  28           2HE      MET  28   3.951  -5.908  -4.896
  220    H    GLU  29           H        GLU  29   6.952  -4.134  -1.357
  221    HA   GLU  29           HA       GLU  29   9.761  -4.705  -2.039
  222    HB2  GLU  29           2HB      GLU  29   8.445  -4.884   0.689
  223    HB3  GLU  29           1HB      GLU  29   9.897  -5.793   0.280
  224    HG2  GLU  29           2HG      GLU  29  11.173  -3.852  -0.000
  225    HG3  GLU  29           1HG      GLU  29   9.750  -2.813  -0.023
  226    H    ASN  30           H        ASN  30  10.181  -7.009  -2.220
  227    HA   ASN  30           HA       ASN  30   7.771  -8.463  -2.926
  228    HB2  ASN  30           2HB      ASN  30   9.174 -10.107  -3.930
  229    HB3  ASN  30           1HB      ASN  30   9.894  -8.549  -4.316
  230   HD21  ASN  30          1HD2      ASN  30  11.143 -11.121  -4.320
  231   HD22  ASN  30          2HD2      ASN  30  12.442 -11.052  -3.175
  232    H    LYS  31           H        LYS  31   7.471 -10.702  -2.156
  233    HA   LYS  31           HA       LYS  31   7.239 -11.133   0.502
  234    HB2  LYS  31           2HB      LYS  31   7.391 -13.627  -0.152
  235    HB3  LYS  31           1HB      LYS  31   6.133 -12.619  -0.854
  236    HG2  LYS  31           2HG      LYS  31   7.502 -12.338  -2.866
  237    HG3  LYS  31           1HG      LYS  31   8.721 -13.404  -2.166
  238    HD2  LYS  31           2HD      LYS  31   7.230 -15.254  -2.192
  239    HD3  LYS  31           1HD      LYS  31   5.856 -14.219  -2.592
  240    HE2  LYS  31           2HE      LYS  31   8.264 -14.594  -4.362
  241    HE3  LYS  31           1HE      LYS  31   6.780 -15.537  -4.515
  242    HZ1  LYS  31           3HZ      LYS  31   6.979 -12.586  -4.765
  243    HZ2  LYS  31           1HZ      LYS  31   5.559 -13.493  -4.931
  244    HZ3  LYS  31           2HZ      LYS  31   6.823 -13.661  -6.056
  245    H    PHE  32           H        PHE  32  10.228 -10.618  -0.683
  246    HA   PHE  32           HA       PHE  32  11.457 -12.287   1.408
  247    HB2  PHE  32           2HB      PHE  32  12.672 -11.508  -1.250
  248    HB3  PHE  32           1HB      PHE  32  13.513 -12.369   0.035
  249    HD1  PHE  32           1HD      PHE  32  12.775 -14.657   0.660
  250    HD2  PHE  32           2HD      PHE  32  11.216 -12.617  -2.724
  251    HE1  PHE  32           1HE      PHE  32  11.928 -16.788  -0.228
  252    HE2  PHE  32           2HE      PHE  32  10.360 -14.735  -3.619
  253    HZ   PHE  32           HZ       PHE  32  10.713 -16.829  -2.371
  254    H    GLY  33           H        GLY  33  10.601  -9.212   0.703
  255    HA2  GLY  33           2HA      GLY  33  11.100  -7.345   1.970
  256    HA3  GLY  33           1HA      GLY  33  12.440  -8.225   2.681
  257    H    LYS  34           H        LYS  34  12.159  -8.055  -0.758
  258    HA   LYS  34           HA       LYS  34  14.439  -6.211  -0.806
  259    HB2  LYS  34           2HB      LYS  34  13.306  -7.910  -3.030
  260    HB3  LYS  34           1HB      LYS  34  14.763  -6.925  -3.122
  261    HG2  LYS  34           2HG      LYS  34  14.490  -9.001  -1.023
  262    HG3  LYS  34           1HG      LYS  34  14.958  -9.468  -2.659
  263    HD2  LYS  34           2HD      LYS  34  16.379  -7.395  -0.984
  264    HD3  LYS  34           1HD      LYS  34  16.870  -9.085  -1.093
  265    HE2  LYS  34           2HE      LYS  34  17.108  -8.791  -3.552
  266    HE3  LYS  34           1HE      LYS  34  16.769  -7.074  -3.338
  267    HZ1  LYS  34           3HZ      LYS  34  18.715  -6.906  -1.909
  268    HZ2  LYS  34           1HZ      LYS  34  19.142  -7.492  -3.442
  269    HZ3  LYS  34           2HZ      LYS  34  19.046  -8.558  -2.133
  270    H    SER  35           H        SER  35  14.353  -4.307  -1.581
  271    HA   SER  35           HA       SER  35  11.733  -3.152  -1.851
  272    HB2  SER  35           2HB      SER  35  13.092  -0.986  -1.927
  273    HB3  SER  35           1HB      SER  35  13.168  -1.951  -0.453
  274    HG   SER  35           HG       SER  35  15.151  -1.316  -2.234
  275    H    MET  36           H        MET  36  10.709  -2.580  -3.605
  276    HA   MET  36           HA       MET  36  12.222  -2.176  -6.102
  277    HB2  MET  36           2HB      MET  36   9.528  -3.536  -5.819
  278    HB3  MET  36           1HB      MET  36  10.354  -3.206  -7.335
  279    HG2  MET  36           2HG      MET  36  12.188  -4.682  -6.639
  280    HG3  MET  36           1HG      MET  36  11.313  -5.043  -5.152
  281    HE1  MET  36           3HE      MET  36   8.155  -6.926  -6.498
  282    HE2  MET  36           1HE      MET  36   8.276  -5.184  -6.252
  283    HE3  MET  36           2HE      MET  36   8.985  -6.292  -5.077
  284    H    ASN  37           H        ASN  37  10.267  -1.247  -7.734
  285    HA   ASN  37           HA       ASN  37   9.384   1.188  -6.350
  286    HB2  ASN  37           2HB      ASN  37   9.774   0.527  -9.264
  287    HB3  ASN  37           1HB      ASN  37   8.847   1.934  -8.759
  288   HD21  ASN  37          1HD2      ASN  37  11.695   0.693  -7.116
  289   HD22  ASN  37          2HD2      ASN  37  12.709   2.047  -7.464
  290    H    MET  38           H        MET  38   7.223   2.012  -6.792
  291    HA   MET  38           HA       MET  38   5.321  -0.149  -6.487
  292    HB2  MET  38           2HB      MET  38   5.244   1.806  -4.993
  293    HB3  MET  38           1HB      MET  38   4.931   2.849  -6.372
  294    HG2  MET  38           2HG      MET  38   2.880   2.444  -5.213
  295    HG3  MET  38           1HG      MET  38   2.827   1.629  -6.775
  296    HE1  MET  38           3HE      MET  38   0.760   0.194  -5.998
  297    HE2  MET  38           1HE      MET  38   0.779   0.999  -4.427
  298    HE3  MET  38           2HE      MET  38   0.724  -0.763  -4.514
  299    HA   PRO  39           HA       PRO  39   4.184   0.123 -10.778
  300    HB2  PRO  39           2HB      PRO  39   2.477  -1.960 -10.804
  301    HB3  PRO  39           1HB      PRO  39   4.229  -2.167 -10.744
  302    HG2  PRO  39           2HG      PRO  39   2.217  -2.389  -8.554
  303    HG3  PRO  39           1HG      PRO  39   3.679  -3.349  -8.835
  304    HD2  PRO  39           2HD      PRO  39   3.472  -1.266  -7.021
  305    HD3  PRO  39           1HD      PRO  39   4.994  -1.875  -7.698
  306    H    GLU  40           H        GLU  40   2.891   1.679 -11.438
  307    HA   GLU  40           HA       GLU  40   0.396   2.229 -10.062
  308    HB2  GLU  40           2HB      GLU  40   1.903   4.091 -10.685
  309    HB3  GLU  40           1HB      GLU  40   1.694   3.679 -12.383
  310    HG2  GLU  40           2HG      GLU  40  -0.669   4.196 -12.241
  311    HG3  GLU  40           1HG      GLU  40  -0.507   4.545 -10.522
  312    H    GLY  41           H        GLY  41  -1.626   1.950 -10.887
  313    HA2  GLY  41           2HA      GLY  41  -3.112   1.808 -12.790
  314    HA3  GLY  41           1HA      GLY  41  -1.842   0.966 -13.660
  315    H    LYS  42           H        LYS  42  -1.621  -0.421 -10.766
  316    HA   LYS  42           HA       LYS  42  -3.438  -2.582 -11.604
  317    HB2  LYS  42           2HB      LYS  42  -0.919  -2.719  -9.956
  318    HB3  LYS  42           1HB      LYS  42  -1.945  -4.088 -10.350
  319    HG2  LYS  42           2HG      LYS  42  -1.483  -3.683 -12.751
  320    HG3  LYS  42           1HG      LYS  42  -0.349  -2.417 -12.281
  321    HD2  LYS  42           2HD      LYS  42   0.838  -4.494 -12.720
  322    HD3  LYS  42           1HD      LYS  42   0.951  -4.073 -11.008
  323    HE2  LYS  42           2HE      LYS  42   0.512  -6.435 -11.226
  324    HE3  LYS  42           1HE      LYS  42  -0.903  -5.637 -10.543
  325    HZ1  LYS  42           3HZ      LYS  42  -1.891  -5.639 -12.781
  326    HZ2  LYS  42           1HZ      LYS  42  -1.580  -7.205 -12.206
  327    HZ3  LYS  42           2HZ      LYS  42  -0.554  -6.508 -13.360
  328    H    VAL  43           H        VAL  43  -5.054  -3.173 -10.314
  329    HA   VAL  43           HA       VAL  43  -4.945  -2.376  -7.499
  330    HB   VAL  43           HB       VAL  43  -7.017  -1.710  -8.627
  331   HG11  VAL  43          1HG1      VAL  43  -7.224  -3.393 -10.328
  332   HG12  VAL  43          2HG1      VAL  43  -8.669  -3.407  -9.312
  333   HG13  VAL  43          3HG1      VAL  43  -7.433  -4.648  -9.108
  334   HG21  VAL  43          3HG2      VAL  43  -8.625  -2.687  -7.049
  335   HG22  VAL  43          1HG2      VAL  43  -7.124  -2.193  -6.261
  336   HG23  VAL  43          2HG2      VAL  43  -7.424  -3.897  -6.598
  337    H    MET  44           H        MET  44  -4.798  -3.830  -5.913
  338    HA   MET  44           HA       MET  44  -4.689  -6.675  -6.628
  339    HB2  MET  44           2HB      MET  44  -2.507  -5.105  -5.245
  340    HB3  MET  44           1HB      MET  44  -2.593  -6.861  -5.245
  341    HG2  MET  44           2HG      MET  44  -2.341  -6.910  -7.649
  342    HG3  MET  44           1HG      MET  44  -2.379  -5.149  -7.716
  343    HE1  MET  44           3HE      MET  44  -0.462  -3.587  -6.743
  344    HE2  MET  44           1HE      MET  44   0.953  -4.200  -5.885
  345    HE3  MET  44           2HE      MET  44  -0.650  -4.362  -5.170
  346    H    GLU  45           H        GLU  45  -4.344  -7.985  -4.514
  347    HA   GLU  45           HA       GLU  45  -6.087  -6.762  -2.509
  348    HB2  GLU  45           2HB      GLU  45  -5.642  -9.631  -3.256
  349    HB3  GLU  45           1HB      GLU  45  -6.323  -9.196  -1.696
  350    HG2  GLU  45           2HG      GLU  45  -8.174  -9.621  -2.994
  351    HG3  GLU  45           1HG      GLU  45  -8.041  -7.864  -3.050
  352    H    THR  46           H        THR  46  -5.817  -7.434  -0.380
  353    HA   THR  46           HA       THR  46  -2.996  -7.735   0.436
  354    HB   THR  46           HB       THR  46  -3.552  -6.720   2.559
  355    HG1  THR  46           1HG      THR  46  -5.577  -6.396   3.212
  356   HG21  THR  46          3HG2      THR  46  -4.187  -4.470   1.839
  357   HG22  THR  46          1HG2      THR  46  -4.748  -5.113   0.297
  358   HG23  THR  46          2HG2      THR  46  -3.035  -5.188   0.714
  359    H    ARG  47           H        ARG  47  -2.622  -9.077   2.369
  360    HA   ARG  47           HA       ARG  47  -3.750 -11.588   2.299
  361    HB2  ARG  47           2HB      ARG  47  -2.289 -10.070   4.427
  362    HB3  ARG  47           1HB      ARG  47  -2.823 -11.722   4.696
  363    HG2  ARG  47           2HG      ARG  47  -1.491 -12.491   2.836
  364    HG3  ARG  47           1HG      ARG  47  -1.074 -10.830   2.411
  365    HD2  ARG  47           2HD      ARG  47   0.785 -11.791   3.534
  366    HD3  ARG  47           1HD      ARG  47   0.043 -10.613   4.604
  367    HE   ARG  47           HE       ARG  47  -1.008 -13.136   5.210
  368   HH11  ARG  47          1HH1      ARG  47   2.011 -11.355   5.337
  369   HH12  ARG  47          2HH1      ARG  47   2.608 -12.215   6.730
  370   HH21  ARG  47          1HH2      ARG  47  -0.210 -14.284   7.048
  371   HH22  ARG  47          2HH2      ARG  47   1.356 -13.873   7.692
  372    H    ASP  48           H        ASP  48  -5.041  -8.732   3.746
  373    HA   ASP  48           HA       ASP  48  -6.816 -10.304   5.460
  374    HB2  ASP  48           2HB      ASP  48  -7.261  -8.302   6.675
  375    HB3  ASP  48           1HB      ASP  48  -5.523  -8.373   6.399
  376    H    GLY  49           H        GLY  49  -6.798  -9.041   2.394
  377    HA2  GLY  49           2HA      GLY  49  -8.605  -9.537   0.940
  378    HA3  GLY  49           1HA      GLY  49  -9.705  -9.398   2.302
  379    H    THR  50           H        THR  50  -7.311  -6.924   1.850
  380    HA   THR  50           HA       THR  50  -9.416  -5.044   1.134
  381    HB   THR  50           HB       THR  50  -6.554  -4.669   2.038
  382    HG1  THR  50           1HG      THR  50  -7.801  -5.240   3.767
  383   HG21  THR  50          3HG2      THR  50  -7.063  -2.282   2.208
  384   HG22  THR  50          1HG2      THR  50  -8.651  -2.566   1.496
  385   HG23  THR  50          2HG2      THR  50  -7.194  -2.845   0.543
  386    H    LYS  51           H        LYS  51  -9.489  -3.999  -0.799
  387    HA   LYS  51           HA       LYS  51  -7.517  -4.802  -2.821
  388    HB2  LYS  51           2HB      LYS  51 -10.280  -3.615  -3.072
  389    HB3  LYS  51           1HB      LYS  51  -9.180  -3.791  -4.434
  390    HG2  LYS  51           2HG      LYS  51  -9.159  -6.192  -4.153
  391    HG3  LYS  51           1HG      LYS  51 -10.181  -6.054  -2.721
  392    HD2  LYS  51           2HD      LYS  51 -12.010  -5.237  -4.015
  393    HD3  LYS  51           1HD      LYS  51 -10.995  -5.071  -5.448
  394    HE2  LYS  51           2HE      LYS  51 -11.557  -7.697  -4.085
  395    HE3  LYS  51           1HE      LYS  51 -12.504  -7.071  -5.435
  396    HZ1  LYS  51           3HZ      LYS  51 -10.451  -7.029  -6.761
  397    HZ2  LYS  51           1HZ      LYS  51 -10.844  -8.594  -6.236
  398    HZ3  LYS  51           2HZ      LYS  51  -9.597  -7.724  -5.475
  399    H    ILE  52           H        ILE  52  -6.067  -3.414  -3.570
  400    HA   ILE  52           HA       ILE  52  -6.447  -0.538  -3.048
  401    HB   ILE  52           HB       ILE  52  -4.202  -0.298  -2.222
  402   HG12  ILE  52          2HG1      ILE  52  -3.827  -3.262  -2.737
  403   HG13  ILE  52          1HG1      ILE  52  -3.126  -1.966  -3.702
  404   HG21  ILE  52          1HG2      ILE  52  -4.278  -1.537  -0.163
  405   HG22  ILE  52          2HG2      ILE  52  -5.341  -2.745  -0.880
  406   HG23  ILE  52          3HG2      ILE  52  -5.927  -1.106  -0.620
  407   HD11  ILE  52          3HD1      ILE  52  -2.529  -2.572  -0.817
  408   HD12  ILE  52          1HD1      ILE  52  -1.863  -1.217  -1.730
  409   HD13  ILE  52          2HD1      ILE  52  -1.479  -2.871  -2.202
  410    H    ILE  53           H        ILE  53  -5.218   0.842  -4.472
  411    HA   ILE  53           HA       ILE  53  -3.499  -0.279  -6.487
  412    HB   ILE  53           HB       ILE  53  -5.339  -0.706  -7.854
  413   HG12  ILE  53          2HG1      ILE  53  -4.423   2.099  -8.515
  414   HG13  ILE  53          1HG1      ILE  53  -3.742   0.590  -9.109
  415   HG21  ILE  53          1HG2      ILE  53  -7.217   0.903  -8.191
  416   HG22  ILE  53          2HG2      ILE  53  -6.558   1.858  -6.863
  417   HG23  ILE  53          3HG2      ILE  53  -7.117   0.208  -6.574
  418   HD11  ILE  53          3HD1      ILE  53  -6.495   1.631  -9.744
  419   HD12  ILE  53          1HD1      ILE  53  -5.756   0.166 -10.393
  420   HD13  ILE  53          2HD1      ILE  53  -5.079   1.749 -10.792
  421    H    MET  54           H        MET  54  -2.256   1.260  -7.555
  422    HA   MET  54           HA       MET  54  -2.440   4.001  -6.482
  423    HB2  MET  54           2HB      MET  54  -0.298   3.011  -5.897
  424    HB3  MET  54           1HB      MET  54  -0.051   2.469  -7.553
  425    HG2  MET  54           2HG      MET  54   0.059   4.801  -8.290
  426    HG3  MET  54           1HG      MET  54  -0.156   5.330  -6.622
  427    HE1  MET  54           3HE      MET  54   2.265   6.108  -8.685
  428    HE2  MET  54           1HE      MET  54   3.625   6.115  -7.563
  429    HE3  MET  54           2HE      MET  54   2.083   6.827  -7.086
  430    H    LYS  55           H        LYS  55  -3.237   5.375  -7.897
  431    HA   LYS  55           HA       LYS  55  -2.516   5.142 -10.712
  432    HB2  LYS  55           2HB      LYS  55  -4.753   3.945 -10.204
  433    HB3  LYS  55           1HB      LYS  55  -5.401   5.561  -9.960
  434    HG2  LYS  55           2HG      LYS  55  -5.885   4.853 -12.197
  435    HG3  LYS  55           1HG      LYS  55  -4.689   6.150 -12.256
  436    HD2  LYS  55           2HD      LYS  55  -2.907   4.519 -12.558
  437    HD3  LYS  55           1HD      LYS  55  -4.071   3.200 -12.430
  438    HE2  LYS  55           2HE      LYS  55  -3.582   3.540 -14.744
  439    HE3  LYS  55           1HE      LYS  55  -5.223   4.107 -14.443
  440    HZ1  LYS  55           3HZ      LYS  55  -2.843   5.880 -14.549
  441    HZ2  LYS  55           1HZ      LYS  55  -4.468   6.361 -14.468
  442    HZ3  LYS  55           2HZ      LYS  55  -3.872   5.597 -15.864
  443    H    GLY  56           H        GLY  56  -2.297   7.103 -11.676
  444    HA2  GLY  56           2HA      GLY  56  -2.000   9.372 -11.807
  445    HA3  GLY  56           1HA      GLY  56  -3.441   9.519 -10.813
  446    H    ASN  57           H        ASN  57  -0.493   7.876  -9.820
  447    HA   ASN  57           HA       ASN  57   0.926   8.185  -8.079
  448    HB2  ASN  57           2HB      ASN  57   0.389  11.041  -8.838
  449    HB3  ASN  57           1HB      ASN  57   1.402  10.657  -7.450
  450   HD21  ASN  57          1HD2      ASN  57   1.306   8.557 -10.221
  451   HD22  ASN  57          2HD2      ASN  57   2.888   8.945 -10.813
  452    H    GLU  58           H        GLU  58  -2.072   8.122  -7.733
  453    HA   GLU  58           HA       GLU  58  -2.073   8.858  -4.871
  454    HB2  GLU  58           2HB      GLU  58  -4.385   8.836  -6.821
  455    HB3  GLU  58           1HB      GLU  58  -4.573   8.986  -5.081
  456    HG2  GLU  58           2HG      GLU  58  -3.186  11.054  -5.174
  457    HG3  GLU  58           1HG      GLU  58  -3.208  10.924  -6.933
  458    H    ILE  59           H        ILE  59  -3.101   7.353  -3.463
  459    HA   ILE  59           HA       ILE  59  -3.447   4.734  -4.727
  460    HB   ILE  59           HB       ILE  59  -1.900   5.507  -2.407
  461   HG12  ILE  59          2HG1      ILE  59  -2.162   3.017  -4.094
  462   HG13  ILE  59          1HG1      ILE  59  -0.981   4.309  -4.278
  463   HG21  ILE  59          1HG2      ILE  59  -2.440   3.573  -0.999
  464   HG22  ILE  59          2HG2      ILE  59  -3.816   3.209  -2.041
  465   HG23  ILE  59          3HG2      ILE  59  -3.785   4.708  -1.113
  466   HD11  ILE  59          3HD1      ILE  59  -1.164   2.383  -1.977
  467   HD12  ILE  59          1HD1      ILE  59   0.013   3.688  -2.137
  468   HD13  ILE  59          2HD1      ILE  59   0.019   2.349  -3.285
  469    H    PHE  60           H        PHE  60  -5.340   3.878  -4.726
  470    HA   PHE  60           HA       PHE  60  -7.337   4.632  -2.716
  471    HB2  PHE  60           2HB      PHE  60  -8.652   4.479  -4.544
  472    HB3  PHE  60           1HB      PHE  60  -7.437   3.600  -5.460
  473    HD1  PHE  60           1HD      PHE  60  -7.240   1.089  -4.996
  474    HD2  PHE  60           2HD      PHE  60 -10.602   3.406  -3.825
  475    HE1  PHE  60           1HE      PHE  60  -8.594  -0.949  -4.922
  476    HE2  PHE  60           2HE      PHE  60 -11.972   1.355  -3.732
  477    HZ   PHE  60           HZ       PHE  60 -10.956  -0.833  -4.296
  478    H    ARG  61           H        ARG  61  -7.705   3.409  -1.074
  479    HA   ARG  61           HA       ARG  61  -7.434   0.554  -1.156
  480    HB2  ARG  61           2HB      ARG  61  -6.045   0.505   0.954
  481    HB3  ARG  61           1HB      ARG  61  -5.160   1.041  -0.466
  482    HG2  ARG  61           2HG      ARG  61  -4.914   3.170   0.319
  483    HG3  ARG  61           1HG      ARG  61  -6.408   3.114   1.258
  484    HD2  ARG  61           2HD      ARG  61  -5.319   1.568   2.839
  485    HD3  ARG  61           1HD      ARG  61  -3.822   1.715   1.923
  486    HE   ARG  61           HE       ARG  61  -3.943   4.161   2.510
  487   HH11  ARG  61          1HH1      ARG  61  -5.450   1.713   4.519
  488   HH12  ARG  61          2HH1      ARG  61  -5.331   2.648   5.983
  489   HH21  ARG  61          1HH2      ARG  61  -3.729   5.373   4.444
  490   HH22  ARG  61          2HH2      ARG  61  -4.350   4.730   5.938
  491    H    LEU  62           H        LEU  62  -9.778   0.565  -0.706
  492    HA   LEU  62           HA       LEU  62 -11.397   0.308   0.824
  493    HB2  LEU  62           2HB      LEU  62  -9.215   0.841   2.585
  494    HB3  LEU  62           1HB      LEU  62 -10.569   1.846   3.065
  495    HG   LEU  62           HG       LEU  62 -10.447  -0.334   4.242
  496   HD11  LEU  62          1HD1      LEU  62 -12.819  -0.876   4.001
  497   HD12  LEU  62          2HD1      LEU  62 -12.888   0.070   2.514
  498   HD13  LEU  62          3HD1      LEU  62 -12.562   0.868   4.052
  499   HD21  LEU  62          3HD2      LEU  62  -9.584  -1.674   2.401
  500   HD22  LEU  62          1HD2      LEU  62 -11.087  -1.440   1.508
  501   HD23  LEU  62          2HD2      LEU  62 -11.091  -2.358   3.016
  502    H    ASP  63           H        ASP  63  -9.597   3.315   0.754
  503    HA   ASP  63           HA       ASP  63 -10.115   5.408   0.150
  504    HB2  ASP  63           2HB      ASP  63 -11.288   4.871  -1.752
  505    HB3  ASP  63           1HB      ASP  63 -12.530   4.002  -0.868
  506    H    GLU  64           H        GLU  64 -12.235   3.710   2.224
  507    HA   GLU  64           HA       GLU  64 -13.137   6.108   3.590
  508    HB2  GLU  64           2HB      GLU  64 -13.511   3.191   4.302
  509    HB3  GLU  64           1HB      GLU  64 -14.340   4.551   5.045
  510    HG2  GLU  64           2HG      GLU  64 -15.475   5.046   2.982
  511    HG3  GLU  64           1HG      GLU  64 -14.570   3.780   2.149
  512    H    ALA  65           H        ALA  65 -10.861   3.479   3.995
  513    HA   ALA  65           HA       ALA  65 -10.330   3.675   6.722
  514    HB1  ALA  65           1HB      ALA  65  -9.646   1.858   5.078
  515    HB2  ALA  65           2HB      ALA  65  -8.494   2.278   6.348
  516    HB3  ALA  65           3HB      ALA  65  -8.257   2.880   4.706
  517    H    LEU  66           H        LEU  66  -8.771   5.319   4.014
  518    HA   LEU  66           HA       LEU  66  -7.059   6.761   5.900
  519    HB2  LEU  66           2HB      LEU  66  -5.617   7.273   4.131
  520    HB3  LEU  66           1HB      LEU  66  -6.068   5.601   3.926
  521    HG   LEU  66           HG       LEU  66  -6.044   6.407   1.773
  522   HD11  LEU  66          1HD1      LEU  66  -8.140   5.268   2.108
  523   HD12  LEU  66          2HD1      LEU  66  -8.335   6.588   0.954
  524   HD13  LEU  66          3HD1      LEU  66  -8.907   6.774   2.612
  525   HD21  LEU  66          3HD2      LEU  66  -7.092   8.599   1.144
  526   HD22  LEU  66          1HD2      LEU  66  -5.648   8.686   2.158
  527   HD23  LEU  66          2HD2      LEU  66  -7.242   8.911   2.878
  528    H    ARG  67           H        ARG  67  -9.995   7.103   4.960
  529    HA   ARG  67           HA       ARG  67  -9.931   9.956   4.296
  530    HB2  ARG  67           2HB      ARG  67 -11.179   8.748   2.725
  531    HB3  ARG  67           1HB      ARG  67 -11.914   7.736   3.950
  532    HG2  ARG  67           2HG      ARG  67 -13.340   9.549   4.646
  533    HG3  ARG  67           1HG      ARG  67 -12.532  10.647   3.517
  534    HD2  ARG  67           2HD      ARG  67 -13.412   9.597   1.653
  535    HD3  ARG  67           1HD      ARG  67 -13.693   8.087   2.510
  536    HE   ARG  67           HE       ARG  67 -15.328  10.297   3.398
  537   HH11  ARG  67          1HH1      ARG  67 -15.006   7.617   1.154
  538   HH12  ARG  67          2HH1      ARG  67 -16.714   7.447   0.909
  539   HH21  ARG  67          1HH2      ARG  67 -17.579  10.097   3.050
  540   HH22  ARG  67          2HH2      ARG  67 -18.186   8.846   1.998
  541    H    LYS  68           H        LYS  68 -11.726   7.664   6.336
  542    HA   LYS  68           HA       LYS  68 -11.505   9.505   8.577
  543    HB2  LYS  68           2HB      LYS  68 -14.156   8.416   7.594
  544    HB3  LYS  68           1HB      LYS  68 -13.919   9.133   9.180
  545    HG2  LYS  68           2HG      LYS  68 -13.078  11.193   7.879
  546    HG3  LYS  68           1HG      LYS  68 -13.878  10.445   6.495
  547    HD2  LYS  68           2HD      LYS  68 -15.399  11.997   7.541
  548    HD3  LYS  68           1HD      LYS  68 -15.974  10.355   7.823
  549    HE2  LYS  68           2HE      LYS  68 -16.188  11.612   9.859
  550    HE3  LYS  68           1HE      LYS  68 -14.914  10.412  10.059
  551    HZ1  LYS  68           3HZ      LYS  68 -13.312  12.251   9.488
  552    HZ2  LYS  68           1HZ      LYS  68 -14.115  12.417  10.975
  553    HZ3  LYS  68           2HZ      LYS  68 -14.610  13.328   9.634
  554    H    GLY  69           H        GLY  69 -13.115   8.056  10.354
  555    HA2  GLY  69           2HA      GLY  69 -13.346   6.009  11.431
  556    HA3  GLY  69           1HA      GLY  69 -12.451   5.250  10.124
  557    H    HIS  70           H        HIS  70 -11.482   7.984  12.144
  558    HA   HIS  70           HA       HIS  70  -9.456   6.260  13.395
  559    HB2  HIS  70           2HB      HIS  70  -8.951   8.973  12.158
  560    HB3  HIS  70           1HB      HIS  70  -7.811   8.148  13.215
  561    HD1  HIS  70           1HD      HIS  70  -6.800   5.859  12.260
  562    HD2  HIS  70           2HD      HIS  70  -8.892   8.200   9.534
  563    HE1  HIS  70           1HE      HIS  70  -6.148   5.000   9.991
  564    HE2  HIS  70           2HE      HIS  70  -7.631   6.256   8.388
  565    H    SER  71           H        SER  71  -8.642   7.071  15.411
  566    HA   SER  71           HA       SER  71 -10.508   8.948  16.713
  567    HB2  SER  71           2HB      SER  71  -8.851   6.769  18.018
  568    HB3  SER  71           1HB      SER  71 -10.048   7.793  18.809
  569    HG   SER  71           HG       SER  71 -10.410   5.638  17.053
  570    H    GLU  72           H        GLU  72  -9.657  10.541  18.061
  571    HA   GLU  72           HA       GLU  72  -7.271  11.728  17.257
  572    HB2  GLU  72           2HB      GLU  72  -8.616  12.133  19.932
  573    HB3  GLU  72           1HB      GLU  72  -7.545  13.254  19.109
  574    HG2  GLU  72           2HG      GLU  72  -9.582  14.185  18.648
  575    HG3  GLU  72           1HG      GLU  72  -9.365  13.157  17.230
  576    H    GLY  73           H        GLY  73  -5.206  11.765  18.040
  577    HA2  GLY  73           2HA      GLY  73  -4.400   9.452  19.587
  578    HA3  GLY  73           1HA      GLY  73  -3.336  10.636  18.840
  579    H    GLY  74           H        GLY  74  -5.304   9.902  21.630
  580    HA2  GLY  74           2HA      GLY  74  -3.635  11.675  23.236
  581    HA3  GLY  74           1HA      GLY  74  -5.364  12.002  23.231
  Start of MODEL   17
    1    H1   VAL   1           1HT      VAL   1  14.473   0.112   5.207
    2    H2   VAL   1           2HT      VAL   1  13.819  -0.424   3.743
    3    H3   VAL   1           3HT      VAL   1  13.076  -0.847   5.201
    4    HA   VAL   1           HA       VAL   1  13.311   1.888   4.086
    5    HB   VAL   1           HB       VAL   1  10.854   1.805   3.871
    6   HG11  VAL   1          2HG1      VAL   1  12.182   1.332   1.920
    7   HG12  VAL   1          3HG1      VAL   1  10.757   0.290   1.927
    8   HG13  VAL   1          1HG1      VAL   1  12.329  -0.362   2.389
    9   HG21  VAL   1          1HG2      VAL   1  11.144  -1.115   4.562
   10   HG22  VAL   1          2HG2      VAL   1   9.667  -0.329   3.999
   11   HG23  VAL   1          3HG2      VAL   1  10.366   0.114   5.558
   12    H    ASP   2           H        ASP   2  12.644  -0.169   6.803
   13    HA   ASP   2           HA       ASP   2  12.327   0.229   8.997
   14    HB2  ASP   2           2HB      ASP   2  13.152   2.986   8.155
   15    HB3  ASP   2           1HB      ASP   2  12.589   2.684   9.796
   16    H    MET   3           H        MET   3  10.655   0.661  10.410
   17    HA   MET   3           HA       MET   3   8.185   1.282   8.973
   18    HB2  MET   3           2HB      MET   3   8.648  -0.174  11.576
   19    HB3  MET   3           1HB      MET   3   7.089   0.034  10.788
   20    HG2  MET   3           2HG      MET   3   9.458  -1.404   9.629
   21    HG3  MET   3           1HG      MET   3   8.049  -2.166  10.361
   22    HE1  MET   3           3HE      MET   3   8.203  -2.458   6.272
   23    HE2  MET   3           1HE      MET   3   8.611  -3.335   7.746
   24    HE3  MET   3           2HE      MET   3   9.592  -1.961   7.236
   25    H    SER   4           H        SER   4  10.219   3.041  10.756
   26    HA   SER   4           HA       SER   4   8.458   4.033  12.798
   27    HB2  SER   4           2HB      SER   4  11.086   5.206  11.858
   28    HB3  SER   4           1HB      SER   4  10.291   5.475  13.410
   29    HG   SER   4           HG       SER   4  11.891   3.946  13.703
   30    H    ASN   5           H        ASN   5   9.475   4.974   9.593
   31    HA   ASN   5           HA       ASN   5   8.026   7.494   9.820
   32    HB2  ASN   5           2HB      ASN   5   9.166   8.226   7.886
   33    HB3  ASN   5           1HB      ASN   5  10.358   7.357   8.825
   34   HD21  ASN   5          1HD2      ASN   5   9.045   4.752   7.917
   35   HD22  ASN   5          2HD2      ASN   5   9.669   4.525   6.325
   36    H    VAL   6           H        VAL   6   7.281   4.486   9.194
   37    HA   VAL   6           HA       VAL   6   5.601   4.900   6.850
   38    HB   VAL   6           HB       VAL   6   6.258   2.449   8.482
   39   HG11  VAL   6          1HG1      VAL   6   3.983   2.269   7.606
   40   HG12  VAL   6          2HG1      VAL   6   5.073   1.161   6.772
   41   HG13  VAL   6          3HG1      VAL   6   4.573   2.661   5.992
   42   HG21  VAL   6          3HG2      VAL   6   8.072   3.267   7.073
   43   HG22  VAL   6          1HG2      VAL   6   7.006   3.223   5.670
   44   HG23  VAL   6          2HG2      VAL   6   7.450   1.725   6.486
   45    H    VAL   7           H        VAL   7   3.438   5.259   6.975
   46    HA   VAL   7           HA       VAL   7   2.257   5.194   9.659
   47    HB   VAL   7           HB       VAL   7   0.288   6.340   8.649
   48   HG11  VAL   7          1HG1      VAL   7   2.030   7.607   9.751
   49   HG12  VAL   7          2HG1      VAL   7   1.412   8.501   8.361
   50   HG13  VAL   7          3HG1      VAL   7   2.962   7.667   8.255
   51   HG21  VAL   7          3HG2      VAL   7   2.005   6.697   6.200
   52   HG22  VAL   7          1HG2      VAL   7   0.343   7.230   6.451
   53   HG23  VAL   7          2HG2      VAL   7   0.697   5.507   6.307
   54    H    LYS   8           H        LYS   8   2.101   3.439   6.671
   55    HA   LYS   8           HA       LYS   8   0.607   1.332   7.913
   56    HB2  LYS   8           2HB      LYS   8  -1.279   2.774   7.349
   57    HB3  LYS   8           1HB      LYS   8  -0.697   2.939   5.701
   58    HG2  LYS   8           2HG      LYS   8  -2.519   1.417   5.675
   59    HG3  LYS   8           1HG      LYS   8  -1.043   0.491   5.402
   60    HD2  LYS   8           2HD      LYS   8  -1.040  -0.211   7.743
   61    HD3  LYS   8           1HD      LYS   8  -2.506   0.732   8.034
   62    HE2  LYS   8           2HE      LYS   8  -3.693  -0.648   6.371
   63    HE3  LYS   8           1HE      LYS   8  -2.233  -1.607   6.144
   64    HZ1  LYS   8           3HZ      LYS   8  -3.840  -1.380   8.632
   65    HZ2  LYS   8           1HZ      LYS   8  -2.356  -2.193   8.526
   66    HZ3  LYS   8           2HZ      LYS   8  -3.692  -2.740   7.635
   67    H    THR   9           H        THR   9   0.877  -0.588   6.879
   68    HA   THR   9           HA       THR   9   2.258  -0.510   4.286
   69    HB   THR   9           HB       THR   9   2.837  -2.249   6.666
   70    HG1  THR   9           1HG      THR   9   3.973  -0.418   6.845
   71   HG21  THR   9          3HG2      THR   9   2.888  -3.646   4.653
   72   HG22  THR   9          1HG2      THR   9   4.510  -3.406   5.305
   73   HG23  THR   9          2HG2      THR   9   3.983  -2.496   3.888
   74    H    TYR  10           H        TYR  10   1.640  -1.988   2.787
   75    HA   TYR  10           HA       TYR  10  -0.724  -3.599   3.428
   76    HB2  TYR  10           2HB      TYR  10   0.036  -2.106   0.936
   77    HB3  TYR  10           1HB      TYR  10  -1.203  -3.367   0.938
   78    HD1  TYR  10           2HD      TYR  10  -2.763  -3.142   3.116
   79    HD2  TYR  10           1HD      TYR  10  -0.839   0.056   1.100
   80    HE1  TYR  10           2HE      TYR  10  -4.394  -1.609   4.048
   81    HE2  TYR  10           1HE      TYR  10  -2.479   1.635   2.033
   82    HH   TYR  10           HH       TYR  10  -4.632   1.706   2.994
   83    H    ASP  11           H        ASP  11  -0.745  -5.586   3.176
   84    HA   ASP  11           HA       ASP  11   1.643  -6.875   2.030
   85    HB2  ASP  11           2HB      ASP  11   0.141  -7.337   4.410
   86    HB3  ASP  11           1HB      ASP  11  -0.014  -8.762   3.386
   87    H    LEU  12           H        LEU  12   1.483  -7.719   0.154
   88    HA   LEU  12           HA       LEU  12  -0.973  -7.536  -1.310
   89    HB2  LEU  12           2HB      LEU  12   1.792  -8.430  -2.096
   90    HB3  LEU  12           1HB      LEU  12   0.441  -8.358  -3.223
   91    HG   LEU  12           HG       LEU  12   1.972  -6.122  -1.970
   92   HD11  LEU  12          1HD1      LEU  12   2.453  -6.893  -4.254
   93   HD12  LEU  12          2HD1      LEU  12   1.874  -5.230  -4.220
   94   HD13  LEU  12          3HD1      LEU  12   0.791  -6.531  -4.712
   95   HD21  LEU  12          3HD2      LEU  12   0.194  -4.532  -2.508
   96   HD22  LEU  12          1HD2      LEU  12  -0.330  -5.680  -1.274
   97   HD23  LEU  12          2HD2      LEU  12  -0.874  -5.868  -2.941
   98    H    GLN  13           H        GLN  13   0.195 -10.034   0.512
   99    HA   GLN  13           HA       GLN  13  -0.967 -12.016   0.952
  100    HB2  GLN  13           2HB      GLN  13  -2.077 -11.602  -1.806
  101    HB3  GLN  13           1HB      GLN  13  -2.143 -13.180  -1.043
  102    HG2  GLN  13           2HG      GLN  13  -3.335 -12.117   0.864
  103    HG3  GLN  13           1HG      GLN  13  -3.407 -10.634  -0.088
  104   HE21  GLN  13          1HE2      GLN  13  -5.680 -10.704  -0.109
  105   HE22  GLN  13          2HE2      GLN  13  -6.542 -11.822  -1.110
  106    H    ASP  14           H        ASP  14   0.865 -11.355  -1.934
  107    HA   ASP  14           HA       ASP  14   1.858 -14.077  -2.164
  108    HB2  ASP  14           2HB      ASP  14   2.803 -13.429  -4.184
  109    HB3  ASP  14           1HB      ASP  14   1.489 -12.261  -4.088
  110    H    GLY  15           H        GLY  15   2.654 -11.028  -0.839
  111    HA2  GLY  15           2HA      GLY  15   4.333 -11.472   1.089
  112    HA3  GLY  15           1HA      GLY  15   5.368 -11.888  -0.249
  113    H    SER  16           H        SER  16   4.023  -9.699  -1.876
  114    HA   SER  16           HA       SER  16   6.065  -7.820  -1.371
  115    HB2  SER  16           2HB      SER  16   4.989  -8.113  -3.589
  116    HB3  SER  16           1HB      SER  16   3.550  -7.338  -2.946
  117    HG   SER  16           HG       SER  16   5.990  -6.019  -2.675
  118    H    LYS  17           H        LYS  17   6.058  -5.883  -0.500
  119    HA   LYS  17           HA       LYS  17   3.832  -5.258   1.311
  120    HB2  LYS  17           2HB      LYS  17   6.805  -4.933   1.775
  121    HB3  LYS  17           1HB      LYS  17   5.537  -4.442   2.900
  122    HG2  LYS  17           2HG      LYS  17   4.808  -6.815   3.005
  123    HG3  LYS  17           1HG      LYS  17   6.206  -7.231   2.004
  124    HD2  LYS  17           2HD      LYS  17   7.716  -6.418   3.685
  125    HD3  LYS  17           1HD      LYS  17   6.369  -5.835   4.669
  126    HE2  LYS  17           2HE      LYS  17   6.830  -8.717   3.918
  127    HE3  LYS  17           1HE      LYS  17   7.297  -7.995   5.457
  128    HZ1  LYS  17           3HZ      LYS  17   5.117  -9.225   5.404
  129    HZ2  LYS  17           1HZ      LYS  17   4.492  -7.954   4.474
  130    HZ3  LYS  17           2HZ      LYS  17   5.067  -7.665   6.047
  131    H    VAL  18           H        VAL  18   2.980  -3.357   1.046
  132    HA   VAL  18           HA       VAL  18   4.515  -1.265  -0.359
  133    HB   VAL  18           HB       VAL  18   1.512  -1.631  -0.108
  134   HG11  VAL  18          1HG1      VAL  18   2.098   0.727  -0.166
  135   HG12  VAL  18          2HG1      VAL  18   1.343   0.248  -1.687
  136   HG13  VAL  18          3HG1      VAL  18   3.092   0.469  -1.599
  137   HG21  VAL  18          3HG2      VAL  18   3.297  -1.905  -2.529
  138   HG22  VAL  18          1HG2      VAL  18   1.544  -2.088  -2.499
  139   HG23  VAL  18          2HG2      VAL  18   2.566  -3.238  -1.635
  140    H    HIS  19           H        HIS  19   4.966   0.550   0.806
  141    HA   HIS  19           HA       HIS  19   3.580   0.769   3.407
  142    HB2  HIS  19           2HB      HIS  19   6.301   1.961   3.015
  143    HB3  HIS  19           1HB      HIS  19   5.502   1.495   4.509
  144    HD1  HIS  19           1HD      HIS  19   5.558  -1.085   5.109
  145    HD2  HIS  19           2HD      HIS  19   7.802   0.086   1.841
  146    HE1  HIS  19           1HE      HIS  19   7.119  -3.010   4.650
  147    HE2  HIS  19           2HE      HIS  19   8.617  -2.200   2.785
  148    H    VAL  20           H        VAL  20   2.502   2.548   3.742
  149    HA   VAL  20           HA       VAL  20   2.874   4.792   1.911
  150    HB   VAL  20           HB       VAL  20   0.846   4.491   4.144
  151   HG11  VAL  20          1HG1      VAL  20   1.011   6.450   1.848
  152   HG12  VAL  20          2HG1      VAL  20   1.289   6.813   3.552
  153   HG13  VAL  20          3HG1      VAL  20  -0.318   6.336   3.002
  154   HG21  VAL  20          3HG2      VAL  20   0.504   2.782   2.424
  155   HG22  VAL  20          1HG2      VAL  20   0.488   4.033   1.180
  156   HG23  VAL  20          2HG2      VAL  20  -0.788   3.982   2.397
  157    H    PHE  21           H        PHE  21   4.347   6.210   2.463
  158    HA   PHE  21           HA       PHE  21   5.436   6.115   5.152
  159    HB2  PHE  21           2HB      PHE  21   6.350   7.367   2.579
  160    HB3  PHE  21           1HB      PHE  21   7.190   7.636   4.098
  161    HD1  PHE  21           1HD      PHE  21   6.468   5.171   1.434
  162    HD2  PHE  21           2HD      PHE  21   8.436   5.873   5.164
  163    HE1  PHE  21           1HE      PHE  21   7.789   3.131   1.128
  164    HE2  PHE  21           2HE      PHE  21   9.754   3.826   4.836
  165    HZ   PHE  21           HZ       PHE  21   9.433   2.451   2.822
  166    H    LYS  22           H        LYS  22   6.040   8.162   6.220
  167    HA   LYS  22           HA       LYS  22   3.778   9.749   6.725
  168    HB2  LYS  22           2HB      LYS  22   6.683   9.858   7.443
  169    HB3  LYS  22           1HB      LYS  22   5.673  11.253   7.803
  170    HG2  LYS  22           2HG      LYS  22   4.368  10.054   9.322
  171    HG3  LYS  22           1HG      LYS  22   4.918   8.498   8.698
  172    HD2  LYS  22           2HD      LYS  22   5.987   8.888  10.812
  173    HD3  LYS  22           1HD      LYS  22   7.193   9.023   9.538
  174    HE2  LYS  22           2HE      LYS  22   5.802  11.425  10.687
  175    HE3  LYS  22           1HE      LYS  22   7.257  10.747  11.409
  176    HZ1  LYS  22           3HZ      LYS  22   8.250  11.014   9.080
  177    HZ2  LYS  22           1HZ      LYS  22   8.035  12.406  10.020
  178    HZ3  LYS  22           2HZ      LYS  22   6.943  12.050   8.780
  179    H    ASP  23           H        ASP  23   6.324  10.039   4.445
  180    HA   ASP  23           HA       ASP  23   6.087  12.862   4.006
  181    HB2  ASP  23           2HB      ASP  23   8.271  11.754   3.846
  182    HB3  ASP  23           1HB      ASP  23   7.662  10.707   2.573
  183    H    GLY  24           H        GLY  24   4.405  10.164   3.178
  184    HA2  GLY  24           2HA      GLY  24   2.466  10.196   1.935
  185    HA3  GLY  24           1HA      GLY  24   3.058  11.607   1.090
  186    H    LYS  25           H        LYS  25   5.592   9.597   1.039
  187    HA   LYS  25           HA       LYS  25   4.970   8.588  -1.592
  188    HB2  LYS  25           2HB      LYS  25   7.437   8.534   0.113
  189    HB3  LYS  25           1HB      LYS  25   7.313   7.588  -1.363
  190    HG2  LYS  25           2HG      LYS  25   6.721   9.763  -2.524
  191    HG3  LYS  25           1HG      LYS  25   7.270  10.554  -1.050
  192    HD2  LYS  25           2HD      LYS  25   8.902   8.644  -2.698
  193    HD3  LYS  25           1HD      LYS  25   9.037  10.402  -2.764
  194    HE2  LYS  25           2HE      LYS  25   9.396   8.857  -0.208
  195    HE3  LYS  25           1HE      LYS  25  10.731   9.141  -1.325
  196    HZ1  LYS  25           3HZ      LYS  25  10.357  11.523  -1.093
  197    HZ2  LYS  25           1HZ      LYS  25  10.692  10.804   0.406
  198    HZ3  LYS  25           2HZ      LYS  25   9.098  11.243   0.011
  199    H    MET  26           H        MET  26   5.983   6.300  -1.915
  200    HA   MET  26           HA       MET  26   5.144   4.464   0.182
  201    HB2  MET  26           2HB      MET  26   4.046   4.404  -2.628
  202    HB3  MET  26           1HB      MET  26   3.922   3.065  -1.496
  203    HG2  MET  26           2HG      MET  26   2.702   4.598   0.052
  204    HG3  MET  26           1HG      MET  26   2.687   5.794  -1.244
  205    HE1  MET  26           3HE      MET  26   0.698   3.791  -4.014
  206    HE2  MET  26           1HE      MET  26   2.437   3.684  -3.731
  207    HE3  MET  26           2HE      MET  26   1.629   5.251  -3.668
  208    H    GLY  27           H        GLY  27   6.078   2.471   0.069
  209    HA2  GLY  27           2HA      GLY  27   8.155   2.140  -1.994
  210    HA3  GLY  27           1HA      GLY  27   8.475   1.808  -0.297
  211    H    MET  28           H        MET  28   8.294   0.159  -2.907
  212    HA   MET  28           HA       MET  28   6.398  -1.859  -1.903
  213    HB2  MET  28           2HB      MET  28   5.883  -0.923  -4.152
  214    HB3  MET  28           1HB      MET  28   7.440  -1.508  -4.721
  215    HG2  MET  28           2HG      MET  28   6.753  -3.804  -4.256
  216    HG3  MET  28           1HG      MET  28   5.192  -3.220  -3.682
  217    HE1  MET  28           3HE      MET  28   3.871  -4.800  -5.337
  218    HE2  MET  28           1HE      MET  28   5.413  -5.466  -5.877
  219    HE3  MET  28           2HE      MET  28   4.224  -4.921  -7.060
  220    H    GLU  29           H        GLU  29   7.188  -3.726  -1.234
  221    HA   GLU  29           HA       GLU  29   9.928  -4.474  -2.023
  222    HB2  GLU  29           2HB      GLU  29   8.743  -4.506   0.763
  223    HB3  GLU  29           1HB      GLU  29  10.167  -5.440   0.322
  224    HG2  GLU  29           2HG      GLU  29  11.374  -3.434  -0.218
  225    HG3  GLU  29           1HG      GLU  29   9.941  -2.449   0.079
  226    H    ASN  30           H        ASN  30  10.280  -6.793  -1.996
  227    HA   ASN  30           HA       ASN  30   7.787  -8.246  -2.400
  228    HB2  ASN  30           2HB      ASN  30   9.237 -10.094  -3.215
  229    HB3  ASN  30           1HB      ASN  30   9.474  -8.593  -4.100
  230   HD21  ASN  30          1HD2      ASN  30  11.490  -9.473  -4.776
  231   HD22  ASN  30          2HD2      ASN  30  12.861  -9.420  -3.718
  232    H    LYS  31           H        LYS  31   7.793 -10.573  -1.555
  233    HA   LYS  31           HA       LYS  31   7.763 -10.792   1.146
  234    HB2  LYS  31           2HB      LYS  31   8.340 -13.345   0.522
  235    HB3  LYS  31           1HB      LYS  31   6.773 -12.613   0.293
  236    HG2  LYS  31           2HG      LYS  31   7.261 -12.194  -2.039
  237    HG3  LYS  31           1HG      LYS  31   8.898 -12.814  -1.828
  238    HD2  LYS  31           2HD      LYS  31   8.059 -15.018  -1.360
  239    HD3  LYS  31           1HD      LYS  31   6.394 -14.431  -1.361
  240    HE2  LYS  31           2HE      LYS  31   8.166 -14.150  -3.767
  241    HE3  LYS  31           1HE      LYS  31   7.268 -15.634  -3.458
  242    HZ1  LYS  31           3HZ      LYS  31   5.912 -12.998  -3.539
  243    HZ2  LYS  31           1HZ      LYS  31   5.237 -14.543  -3.700
  244    HZ3  LYS  31           2HZ      LYS  31   6.189 -13.898  -4.946
  245    H    PHE  32           H        PHE  32  10.624 -10.473  -0.638
  246    HA   PHE  32           HA       PHE  32  12.215 -11.795   1.448
  247    HB2  PHE  32           2HB      PHE  32  13.089 -10.859  -1.297
  248    HB3  PHE  32           1HB      PHE  32  14.063 -11.778  -0.151
  249    HD1  PHE  32           1HD      PHE  32  13.577 -14.133   0.284
  250    HD2  PHE  32           2HD      PHE  32  11.393 -11.913  -2.620
  251    HE1  PHE  32           1HE      PHE  32  12.718 -16.233  -0.674
  252    HE2  PHE  32           2HE      PHE  32  10.528 -14.006  -3.578
  253    HZ   PHE  32           HZ       PHE  32  11.194 -16.168  -2.609
  254    H    GLY  33           H        GLY  33  11.087  -8.757   0.629
  255    HA2  GLY  33           2HA      GLY  33  11.528  -6.821   1.855
  256    HA3  GLY  33           1HA      GLY  33  13.033  -7.534   2.412
  257    H    LYS  34           H        LYS  34  12.279  -7.594  -0.958
  258    HA   LYS  34           HA       LYS  34  14.360  -5.560  -1.380
  259    HB2  LYS  34           2HB      LYS  34  13.452  -7.842  -3.107
  260    HB3  LYS  34           1HB      LYS  34  14.541  -6.585  -3.672
  261    HG2  LYS  34           2HG      LYS  34  15.131  -8.104  -1.182
  262    HG3  LYS  34           1HG      LYS  34  15.534  -8.774  -2.761
  263    HD2  LYS  34           2HD      LYS  34  16.966  -6.914  -3.247
  264    HD3  LYS  34           1HD      LYS  34  16.400  -6.044  -1.820
  265    HE2  LYS  34           2HE      LYS  34  18.593  -6.981  -1.411
  266    HE3  LYS  34           1HE      LYS  34  17.393  -7.767  -0.389
  267    HZ1  LYS  34           3HZ      LYS  34  17.332  -9.587  -2.066
  268    HZ2  LYS  34           1HZ      LYS  34  18.812  -9.429  -1.254
  269    HZ3  LYS  34           2HZ      LYS  34  18.656  -8.859  -2.841
  270    H    SER  35           H        SER  35  14.099  -3.888  -2.616
  271    HA   SER  35           HA       SER  35  11.446  -2.892  -2.900
  272    HB2  SER  35           2HB      SER  35  13.272  -1.419  -2.259
  273    HB3  SER  35           1HB      SER  35  14.096  -1.731  -3.785
  274    HG   SER  35           HG       SER  35  12.992   0.225  -3.918
  275    H    MET  36           H        MET  36  10.150  -2.840  -4.595
  276    HA   MET  36           HA       MET  36  11.253  -3.461  -7.259
  277    HB2  MET  36           2HB      MET  36   8.602  -4.382  -6.122
  278    HB3  MET  36           1HB      MET  36   9.139  -4.640  -7.775
  279    HG2  MET  36           2HG      MET  36  11.009  -5.990  -6.939
  280    HG3  MET  36           1HG      MET  36  10.423  -5.756  -5.293
  281    HE1  MET  36           3HE      MET  36   8.025  -6.667  -4.449
  282    HE2  MET  36           1HE      MET  36   6.919  -7.569  -5.486
  283    HE3  MET  36           2HE      MET  36   7.245  -5.868  -5.816
  284    H    ASN  37           H        ASN  37   9.397  -2.848  -8.960
  285    HA   ASN  37           HA       ASN  37   8.694  -0.070  -8.300
  286    HB2  ASN  37           2HB      ASN  37   8.906  -1.502 -10.948
  287    HB3  ASN  37           1HB      ASN  37   8.254   0.121 -10.789
  288   HD21  ASN  37          1HD2      ASN  37  10.936  -1.136  -8.909
  289   HD22  ASN  37          2HD2      ASN  37  12.142  -0.101  -9.590
  290    H    MET  38           H        MET  38   6.675   0.538  -8.002
  291    HA   MET  38           HA       MET  38   4.661  -1.531  -7.912
  292    HB2  MET  38           2HB      MET  38   4.979   0.168  -6.084
  293    HB3  MET  38           1HB      MET  38   4.349   1.383  -7.188
  294    HG2  MET  38           2HG      MET  38   2.232   0.237  -7.311
  295    HG3  MET  38           1HG      MET  38   2.852  -1.076  -6.310
  296    HE1  MET  38           3HE      MET  38   0.156   0.188  -5.554
  297    HE2  MET  38           1HE      MET  38   0.347   0.510  -3.829
  298    HE3  MET  38           2HE      MET  38   0.971  -0.988  -4.521
  299    HA   PRO  39           HA       PRO  39   3.044  -0.458 -11.894
  300    HB2  PRO  39           2HB      PRO  39   0.996  -2.198 -11.927
  301    HB3  PRO  39           1HB      PRO  39   2.675  -2.730 -12.079
  302    HG2  PRO  39           2HG      PRO  39   0.904  -2.728  -9.662
  303    HG3  PRO  39           1HG      PRO  39   1.994  -4.000 -10.248
  304    HD2  PRO  39           2HD      PRO  39   2.656  -2.281  -8.247
  305    HD3  PRO  39           1HD      PRO  39   3.853  -2.991  -9.350
  306    H    GLU  40           H        GLU  40   1.304   0.637 -12.799
  307    HA   GLU  40           HA       GLU  40  -0.692   1.669 -10.894
  308    HB2  GLU  40           2HB      GLU  40   0.775   3.422 -11.841
  309    HB3  GLU  40           1HB      GLU  40   0.297   2.939 -13.464
  310    HG2  GLU  40           2HG      GLU  40  -2.072   3.456 -12.798
  311    HG3  GLU  40           1HG      GLU  40  -1.418   4.174 -11.331
  312    H    GLY  41           H        GLY  41  -2.860   1.518 -11.426
  313    HA2  GLY  41           2HA      GLY  41  -4.671   1.330 -12.926
  314    HA3  GLY  41           1HA      GLY  41  -3.569   0.711 -14.147
  315    H    LYS  42           H        LYS  42  -2.884  -0.831 -11.307
  316    HA   LYS  42           HA       LYS  42  -4.547  -3.128 -12.095
  317    HB2  LYS  42           2HB      LYS  42  -1.883  -2.988 -10.696
  318    HB3  LYS  42           1HB      LYS  42  -2.841  -4.453 -10.811
  319    HG2  LYS  42           2HG      LYS  42  -1.887  -2.916 -13.200
  320    HG3  LYS  42           1HG      LYS  42  -1.021  -4.282 -12.489
  321    HD2  LYS  42           2HD      LYS  42  -3.841  -4.333 -13.523
  322    HD3  LYS  42           1HD      LYS  42  -2.437  -4.973 -14.377
  323    HE2  LYS  42           2HE      LYS  42  -3.509  -5.923 -11.718
  324    HE3  LYS  42           1HE      LYS  42  -3.709  -6.743 -13.264
  325    HZ1  LYS  42           3HZ      LYS  42  -1.115  -6.250 -11.888
  326    HZ2  LYS  42           1HZ      LYS  42  -1.308  -7.038 -13.380
  327    HZ3  LYS  42           2HZ      LYS  42  -1.934  -7.731 -11.962
  328    H    VAL  43           H        VAL  43  -5.894  -4.045 -10.655
  329    HA   VAL  43           HA       VAL  43  -6.045  -2.946  -7.970
  330    HB   VAL  43           HB       VAL  43  -7.763  -5.081  -9.263
  331   HG11  VAL  43          1HG1      VAL  43  -9.327  -4.613  -7.429
  332   HG12  VAL  43          2HG1      VAL  43  -8.156  -3.498  -6.726
  333   HG13  VAL  43          3HG1      VAL  43  -7.778  -5.216  -6.833
  334   HG21  VAL  43          3HG2      VAL  43  -7.978  -2.953 -10.426
  335   HG22  VAL  43          1HG2      VAL  43  -8.280  -2.130  -8.895
  336   HG23  VAL  43          2HG2      VAL  43  -9.441  -3.308  -9.508
  337    H    MET  44           H        MET  44  -4.951  -3.807  -6.359
  338    HA   MET  44           HA       MET  44  -4.057  -6.608  -6.586
  339    HB2  MET  44           2HB      MET  44  -2.811  -4.230  -5.231
  340    HB3  MET  44           1HB      MET  44  -2.406  -5.866  -4.734
  341    HG2  MET  44           2HG      MET  44  -0.728  -5.221  -6.221
  342    HG3  MET  44           1HG      MET  44  -1.777  -6.301  -7.136
  343    HE1  MET  44           3HE      MET  44  -2.476  -2.539  -6.189
  344    HE2  MET  44           1HE      MET  44  -1.798  -1.707  -7.590
  345    HE3  MET  44           2HE      MET  44  -0.737  -2.575  -6.481
  346    H    GLU  45           H        GLU  45  -4.150  -7.922  -4.719
  347    HA   GLU  45           HA       GLU  45  -6.138  -7.021  -2.771
  348    HB2  GLU  45           2HB      GLU  45  -5.328  -9.700  -3.796
  349    HB3  GLU  45           1HB      GLU  45  -6.033  -9.578  -2.191
  350    HG2  GLU  45           2HG      GLU  45  -8.042  -8.702  -3.023
  351    HG3  GLU  45           1HG      GLU  45  -7.343  -8.405  -4.619
  352    H    THR  46           H        THR  46  -5.901  -7.514  -0.631
  353    HA   THR  46           HA       THR  46  -3.100  -7.590   0.302
  354    HB   THR  46           HB       THR  46  -3.799  -6.395   2.286
  355    HG1  THR  46           1HG      THR  46  -5.904  -5.940   2.705
  356   HG21  THR  46          3HG2      THR  46  -4.455  -4.262   1.304
  357   HG22  THR  46          1HG2      THR  46  -4.959  -5.082  -0.175
  358   HG23  THR  46          2HG2      THR  46  -3.255  -5.064   0.290
  359    H    ARG  47           H        ARG  47  -2.655  -8.784   2.255
  360    HA   ARG  47           HA       ARG  47  -3.806 -11.304   2.420
  361    HB2  ARG  47           2HB      ARG  47  -2.150  -9.690   4.311
  362    HB3  ARG  47           1HB      ARG  47  -2.761 -11.267   4.787
  363    HG2  ARG  47           2HG      ARG  47  -1.626 -12.323   2.950
  364    HG3  ARG  47           1HG      ARG  47  -1.102 -10.754   2.334
  365    HD2  ARG  47           2HD      ARG  47   0.657 -11.977   3.573
  366    HD3  ARG  47           1HD      ARG  47   0.280 -10.394   4.250
  367    HE   ARG  47           HE       ARG  47  -0.992 -12.769   5.406
  368   HH11  ARG  47          1HH1      ARG  47   1.382 -10.204   5.639
  369   HH12  ARG  47          2HH1      ARG  47   1.531 -10.325   7.373
  370   HH21  ARG  47          1HH2      ARG  47  -0.782 -12.962   7.676
  371   HH22  ARG  47          2HH2      ARG  47   0.304 -11.901   8.532
  372    H    ASP  48           H        ASP  48  -4.952  -8.321   3.722
  373    HA   ASP  48           HA       ASP  48  -6.632  -9.642   5.698
  374    HB2  ASP  48           2HB      ASP  48  -7.314  -7.379   6.372
  375    HB3  ASP  48           1HB      ASP  48  -5.562  -7.560   6.368
  376    H    GLY  49           H        GLY  49  -6.782  -8.983   2.450
  377    HA2  GLY  49           2HA      GLY  49  -8.508  -9.827   1.118
  378    HA3  GLY  49           1HA      GLY  49  -9.578  -9.776   2.508
  379    H    THR  50           H        THR  50  -7.729  -6.933   1.669
  380    HA   THR  50           HA       THR  50 -10.187  -5.790   0.553
  381    HB   THR  50           HB       THR  50  -8.995  -3.545   0.984
  382    HG1  THR  50           1HG      THR  50  -7.580  -5.099   2.909
  383   HG21  THR  50          3HG2      THR  50 -10.933  -4.283   2.263
  384   HG22  THR  50          1HG2      THR  50  -9.763  -3.484   3.316
  385   HG23  THR  50          2HG2      THR  50  -9.892  -5.243   3.314
  386    H    LYS  51           H        LYS  51  -9.871  -4.191  -1.197
  387    HA   LYS  51           HA       LYS  51  -7.784  -5.164  -3.035
  388    HB2  LYS  51           2HB      LYS  51 -10.533  -4.058  -3.656
  389    HB3  LYS  51           1HB      LYS  51  -9.336  -4.519  -4.859
  390    HG2  LYS  51           2HG      LYS  51  -9.436  -6.825  -4.115
  391    HG3  LYS  51           1HG      LYS  51 -10.584  -6.383  -2.849
  392    HD2  LYS  51           2HD      LYS  51 -12.189  -5.671  -4.554
  393    HD3  LYS  51           1HD      LYS  51 -11.038  -6.098  -5.819
  394    HE2  LYS  51           2HE      LYS  51 -12.220  -8.023  -3.818
  395    HE3  LYS  51           1HE      LYS  51 -12.773  -7.821  -5.478
  396    HZ1  LYS  51           3HZ      LYS  51 -11.307  -9.704  -5.326
  397    HZ2  LYS  51           1HZ      LYS  51 -10.089  -8.760  -4.629
  398    HZ3  LYS  51           2HZ      LYS  51 -10.551  -8.488  -6.233
  399    H    ILE  52           H        ILE  52  -6.500  -3.727  -4.040
  400    HA   ILE  52           HA       ILE  52  -6.855  -0.874  -3.364
  401    HB   ILE  52           HB       ILE  52  -4.594  -0.685  -2.679
  402   HG12  ILE  52          2HG1      ILE  52  -4.106  -3.509  -3.663
  403   HG13  ILE  52          1HG1      ILE  52  -3.611  -2.045  -4.505
  404   HG21  ILE  52          1HG2      ILE  52  -5.557  -3.344  -1.645
  405   HG22  ILE  52          2HG2      ILE  52  -6.006  -1.762  -1.017
  406   HG23  ILE  52          3HG2      ILE  52  -4.339  -2.318  -0.886
  407   HD11  ILE  52          3HD1      ILE  52  -1.729  -2.997  -3.350
  408   HD12  ILE  52          1HD1      ILE  52  -2.615  -3.002  -1.828
  409   HD13  ILE  52          2HD1      ILE  52  -2.171  -1.472  -2.584
  410    H    ILE  53           H        ILE  53  -5.555   0.556  -4.764
  411    HA   ILE  53           HA       ILE  53  -3.964  -0.570  -6.903
  412    HB   ILE  53           HB       ILE  53  -5.868  -0.649  -8.252
  413   HG12  ILE  53          2HG1      ILE  53  -4.466   1.995  -8.671
  414   HG13  ILE  53          1HG1      ILE  53  -4.147   0.462  -9.471
  415   HG21  ILE  53          1HG2      ILE  53  -7.518   0.378  -6.923
  416   HG22  ILE  53          2HG2      ILE  53  -7.470   1.315  -8.415
  417   HG23  ILE  53          3HG2      ILE  53  -6.695   1.936  -6.954
  418   HD11  ILE  53          3HD1      ILE  53  -6.619   2.137  -9.829
  419   HD12  ILE  53          1HD1      ILE  53  -6.244   0.632 -10.670
  420   HD13  ILE  53          2HD1      ILE  53  -5.247   2.066 -10.934
  421    H    MET  54           H        MET  54  -2.414   0.820  -7.656
  422    HA   MET  54           HA       MET  54  -2.237   3.447  -6.330
  423    HB2  MET  54           2HB      MET  54  -0.284   1.827  -6.234
  424    HB3  MET  54           1HB      MET  54  -0.122   2.017  -7.971
  425    HG2  MET  54           2HG      MET  54  -0.020   4.361  -6.105
  426    HG3  MET  54           1HG      MET  54   1.405   3.393  -6.469
  427    HE1  MET  54           3HE      MET  54   1.987   4.044 -10.241
  428    HE2  MET  54           1HE      MET  54   1.186   2.668  -9.481
  429    HE3  MET  54           2HE      MET  54   2.638   3.355  -8.753
  430    H    LYS  55           H        LYS  55  -2.857   5.145  -7.437
  431    HA   LYS  55           HA       LYS  55  -2.577   5.136 -10.351
  432    HB2  LYS  55           2HB      LYS  55  -4.943   4.486  -9.657
  433    HB3  LYS  55           1HB      LYS  55  -5.098   6.110  -9.001
  434    HG2  LYS  55           2HG      LYS  55  -6.085   6.003 -11.200
  435    HG3  LYS  55           1HG      LYS  55  -4.655   7.040 -11.231
  436    HD2  LYS  55           2HD      LYS  55  -3.347   5.106 -12.093
  437    HD3  LYS  55           1HD      LYS  55  -4.846   4.179 -12.172
  438    HE2  LYS  55           2HE      LYS  55  -5.764   5.690 -13.791
  439    HE3  LYS  55           1HE      LYS  55  -4.395   6.785 -13.616
  440    HZ1  LYS  55           3HZ      LYS  55  -4.300   4.026 -14.719
  441    HZ2  LYS  55           1HZ      LYS  55  -2.950   5.033 -14.507
  442    HZ3  LYS  55           2HZ      LYS  55  -4.166   5.461 -15.608
  443    H    GLY  56           H        GLY  56  -1.332   6.795 -10.802
  444    HA2  GLY  56           2HA      GLY  56  -0.395   8.890 -10.757
  445    HA3  GLY  56           1HA      GLY  56  -1.861   9.444  -9.963
  446    H    ASN  57           H        ASN  57   0.744   7.208  -9.018
  447    HA   ASN  57           HA       ASN  57   2.264   7.209  -7.332
  448    HB2  ASN  57           2HB      ASN  57   1.369  10.041  -6.754
  449    HB3  ASN  57           1HB      ASN  57   2.766   9.243  -6.046
  450   HD21  ASN  57          1HD2      ASN  57   1.470  10.831  -8.790
  451   HD22  ASN  57          2HD2      ASN  57   2.927  10.904  -9.722
  452    H    GLU  58           H        GLU  58  -0.917   8.404  -6.625
  453    HA   GLU  58           HA       GLU  58  -0.800   7.822  -3.812
  454    HB2  GLU  58           2HB      GLU  58  -3.208   8.398  -5.543
  455    HB3  GLU  58           1HB      GLU  58  -3.144   8.466  -3.787
  456    HG2  GLU  58           2HG      GLU  58  -1.537  10.306  -3.923
  457    HG3  GLU  58           1HG      GLU  58  -1.636  10.251  -5.682
  458    H    ILE  59           H        ILE  59  -2.192   6.310  -2.734
  459    HA   ILE  59           HA       ILE  59  -2.664   3.921  -4.375
  460    HB   ILE  59           HB       ILE  59  -0.899   4.080  -2.310
  461   HG12  ILE  59          2HG1      ILE  59  -1.150   2.253  -3.957
  462   HG13  ILE  59          1HG1      ILE  59  -0.851   1.662  -2.328
  463   HG21  ILE  59          1HG2      ILE  59  -2.583   4.463  -0.613
  464   HG22  ILE  59          2HG2      ILE  59  -1.816   2.892  -0.377
  465   HG23  ILE  59          3HG2      ILE  59  -3.427   2.988  -1.090
  466   HD11  ILE  59          3HD1      ILE  59  -3.522   1.747  -3.707
  467   HD12  ILE  59          1HD1      ILE  59  -3.212   1.132  -2.085
  468   HD13  ILE  59          2HD1      ILE  59  -2.511   0.319  -3.484
  469    H    PHE  60           H        PHE  60  -4.684   3.280  -4.526
  470    HA   PHE  60           HA       PHE  60  -6.643   4.204  -2.579
  471    HB2  PHE  60           2HB      PHE  60  -7.788   4.329  -4.553
  472    HB3  PHE  60           1HB      PHE  60  -6.770   3.123  -5.333
  473    HD1  PHE  60           1HD      PHE  60  -7.287   0.803  -5.211
  474    HD2  PHE  60           2HD      PHE  60  -9.814   3.649  -3.325
  475    HE1  PHE  60           1HE      PHE  60  -9.015  -0.913  -4.992
  476    HE2  PHE  60           2HE      PHE  60 -11.565   1.923  -3.094
  477    HZ   PHE  60           HZ       PHE  60 -11.142  -0.375  -3.925
  478    H    ARG  61           H        ARG  61  -6.492   3.054  -0.775
  479    HA   ARG  61           HA       ARG  61  -7.560   0.357  -1.125
  480    HB2  ARG  61           2HB      ARG  61  -5.179   0.175  -0.314
  481    HB3  ARG  61           1HB      ARG  61  -5.626   1.124   1.094
  482    HG2  ARG  61           2HG      ARG  61  -7.165  -1.356   0.519
  483    HG3  ARG  61           1HG      ARG  61  -5.534  -1.509   1.169
  484    HD2  ARG  61           2HD      ARG  61  -6.262   0.064   3.004
  485    HD3  ARG  61           1HD      ARG  61  -7.908  -0.127   2.403
  486    HE   ARG  61           HE       ARG  61  -7.277  -2.664   2.760
  487   HH11  ARG  61          1HH1      ARG  61  -6.533   0.065   4.827
  488   HH12  ARG  61          2HH1      ARG  61  -6.552  -0.867   6.293
  489   HH21  ARG  61          1HH2      ARG  61  -7.263  -3.906   4.685
  490   HH22  ARG  61          2HH2      ARG  61  -6.954  -3.126   6.205
  491    H    LEU  62           H        LEU  62  -9.735   0.875  -0.590
  492    HA   LEU  62           HA       LEU  62 -11.440   1.510   0.715
  493    HB2  LEU  62           2HB      LEU  62  -9.241   1.748   2.658
  494    HB3  LEU  62           1HB      LEU  62 -10.656   2.726   2.980
  495    HG   LEU  62           HG       LEU  62 -10.802   0.643   4.164
  496   HD11  LEU  62          1HD1      LEU  62 -12.722   0.816   1.848
  497   HD12  LEU  62          2HD1      LEU  62 -12.872   1.631   3.405
  498   HD13  LEU  62          3HD1      LEU  62 -12.987  -0.128   3.315
  499   HD21  LEU  62          3HD2      LEU  62 -10.599  -0.648   1.439
  500   HD22  LEU  62          1HD2      LEU  62 -11.023  -1.492   2.930
  501   HD23  LEU  62          2HD2      LEU  62  -9.426  -0.767   2.752
  502    H    ASP  63           H        ASP  63  -8.721   3.699   0.576
  503    HA   ASP  63           HA       ASP  63  -8.552   5.816  -0.199
  504    HB2  ASP  63           2HB      ASP  63 -10.187   5.465  -1.905
  505    HB3  ASP  63           1HB      ASP  63 -11.500   5.528  -0.732
  506    H    GLU  64           H        GLU  64 -11.526   5.511   1.664
  507    HA   GLU  64           HA       GLU  64 -11.104   8.076   2.902
  508    HB2  GLU  64           2HB      GLU  64 -13.374   7.172   2.390
  509    HB3  GLU  64           1HB      GLU  64 -13.128   5.953   3.636
  510    HG2  GLU  64           2HG      GLU  64 -13.038   7.618   5.343
  511    HG3  GLU  64           1HG      GLU  64 -13.039   8.914   4.150
  512    H    ALA  65           H        ALA  65 -10.420   4.760   3.667
  513    HA   ALA  65           HA       ALA  65  -9.981   4.912   6.422
  514    HB1  ALA  65           1HB      ALA  65  -9.909   2.851   4.899
  515    HB2  ALA  65           2HB      ALA  65  -8.752   2.924   6.231
  516    HB3  ALA  65           3HB      ALA  65  -8.230   3.300   4.588
  517    H    LEU  66           H        LEU  66  -7.972   5.785   3.706
  518    HA   LEU  66           HA       LEU  66  -5.770   6.558   5.456
  519    HB2  LEU  66           2HB      LEU  66  -4.425   6.623   3.491
  520    HB3  LEU  66           1HB      LEU  66  -5.346   5.133   3.487
  521    HG   LEU  66           HG       LEU  66  -6.992   6.686   2.034
  522   HD11  LEU  66          1HD1      LEU  66  -5.359   8.545   2.282
  523   HD12  LEU  66          2HD1      LEU  66  -5.775   8.141   0.611
  524   HD13  LEU  66          3HD1      LEU  66  -4.233   7.614   1.293
  525   HD21  LEU  66          3HD2      LEU  66  -5.971   5.628   0.049
  526   HD22  LEU  66          1HD2      LEU  66  -6.218   4.491   1.378
  527   HD23  LEU  66          2HD2      LEU  66  -4.605   5.128   1.046
  528    H    ARG  67           H        ARG  67  -8.385   7.885   3.768
  529    HA   ARG  67           HA       ARG  67  -7.377  10.507   3.340
  530    HB2  ARG  67           2HB      ARG  67  -9.300   9.673   2.098
  531    HB3  ARG  67           1HB      ARG  67 -10.211   9.478   3.587
  532    HG2  ARG  67           2HG      ARG  67 -10.064  11.925   3.925
  533    HG3  ARG  67           1HG      ARG  67  -9.307  12.062   2.341
  534    HD2  ARG  67           2HD      ARG  67 -12.069  11.049   2.975
  535    HD3  ARG  67           1HD      ARG  67 -11.650  12.535   2.125
  536    HE   ARG  67           HE       ARG  67 -11.201   9.821   1.046
  537   HH11  ARG  67          1HH1      ARG  67 -11.859  13.235   0.570
  538   HH12  ARG  67          2HH1      ARG  67 -12.239  13.042  -1.111
  539   HH21  ARG  67          1HH2      ARG  67 -11.702   9.580  -1.152
  540   HH22  ARG  67          2HH2      ARG  67 -12.143  10.988  -2.090
  541    H    LYS  68           H        LYS  68  -9.550   9.125   5.792
  542    HA   LYS  68           HA       LYS  68  -8.666  11.171   7.694
  543    HB2  LYS  68           2HB      LYS  68 -11.565  10.530   7.102
  544    HB3  LYS  68           1HB      LYS  68 -11.006  11.559   8.411
  545    HG2  LYS  68           2HG      LYS  68 -10.098  13.140   6.785
  546    HG3  LYS  68           1HG      LYS  68 -10.646  12.099   5.466
  547    HD2  LYS  68           2HD      LYS  68 -12.962  12.359   6.257
  548    HD3  LYS  68           1HD      LYS  68 -12.393  13.441   7.528
  549    HE2  LYS  68           2HE      LYS  68 -11.560  14.996   5.833
  550    HE3  LYS  68           1HE      LYS  68 -12.115  13.908   4.559
  551    HZ1  LYS  68           3HZ      LYS  68 -13.840  15.254   6.566
  552    HZ2  LYS  68           1HZ      LYS  68 -14.381  14.192   5.361
  553    HZ3  LYS  68           2HZ      LYS  68 -13.701  15.687   4.933
  554    H    GLY  69           H        GLY  69 -10.048  10.579   9.873
  555    HA2  GLY  69           2HA      GLY  69 -10.775   8.907  11.346
  556    HA3  GLY  69           1HA      GLY  69 -10.295   7.693  10.169
  557    H    HIS  70           H        HIS  70  -9.411   6.628  12.061
  558    HA   HIS  70           HA       HIS  70  -7.619   5.829  13.200
  559    HB2  HIS  70           2HB      HIS  70  -6.058   7.970  11.739
  560    HB3  HIS  70           1HB      HIS  70  -5.337   6.738  12.770
  561    HD1  HIS  70           1HD      HIS  70  -4.927   4.466  11.753
  562    HD2  HIS  70           2HD      HIS  70  -7.196   6.953   9.315
  563    HE1  HIS  70           1HE      HIS  70  -5.070   3.296   9.530
  564    HE2  HIS  70           2HE      HIS  70  -6.659   4.703   8.175
  565    H    SER  71           H        SER  71  -7.187   9.365  13.089
  566    HA   SER  71           HA       SER  71  -7.121   9.337  16.031
  567    HB2  SER  71           2HB      SER  71  -4.840   9.569  15.051
  568    HB3  SER  71           1HB      SER  71  -5.375  11.022  14.213
  569    HG   SER  71           HG       SER  71  -4.253  11.156  16.394
  570    H    GLU  72           H        GLU  72  -7.379  11.652  16.882
  571    HA   GLU  72           HA       GLU  72  -9.574  12.910  15.387
  572    HB2  GLU  72           2HB      GLU  72  -9.731  13.994  17.898
  573    HB3  GLU  72           1HB      GLU  72 -10.666  12.622  17.330
  574    HG2  GLU  72           2HG      GLU  72  -9.759  12.089  19.465
  575    HG3  GLU  72           1HG      GLU  72  -8.928  11.116  18.255
  576    H    GLY  73           H        GLY  73  -6.538  13.531  17.058
  577    HA2  GLY  73           2HA      GLY  73  -6.228  15.964  15.508
  578    HA3  GLY  73           1HA      GLY  73  -6.381  16.217  17.239
  579    H    GLY  74           H        GLY  74  -4.780  13.467  15.738
  580    HA2  GLY  74           2HA      GLY  74  -2.160  14.488  15.785
  581    HA3  GLY  74           1HA      GLY  74  -2.476  13.683  17.316
  Start of MODEL   18
    1    H1   VAL   1           1HT      VAL   1  11.617  -3.312   5.406
    2    H2   VAL   1           2HT      VAL   1  13.185  -2.779   5.051
    3    H3   VAL   1           3HT      VAL   1  12.060  -3.005   3.799
    4    HA   VAL   1           HA       VAL   1  12.367  -0.655   4.324
    5    HB   VAL   1           HB       VAL   1  10.182  -1.598   3.495
    6   HG11  VAL   1          2HG1      VAL   1   8.297  -1.736   5.027
    7   HG12  VAL   1          3HG1      VAL   1   9.355  -1.349   6.386
    8   HG13  VAL   1          1HG1      VAL   1   9.571  -2.860   5.500
    9   HG21  VAL   1          1HG2      VAL   1   9.999   0.844   5.251
   10   HG22  VAL   1          2HG2      VAL   1   8.893   0.423   3.943
   11   HG23  VAL   1          3HG2      VAL   1  10.578   0.803   3.585
   12    H    ASP   2           H        ASP   2  12.074   1.078   5.836
   13    HA   ASP   2           HA       ASP   2  12.412   0.394   8.610
   14    HB2  ASP   2           2HB      ASP   2  12.577   2.725   9.047
   15    HB3  ASP   2           1HB      ASP   2  13.351   2.493   7.485
   16    H    MET   3           H        MET   3  10.906   0.610  10.258
   17    HA   MET   3           HA       MET   3   8.134   0.936   9.339
   18    HB2  MET   3           2HB      MET   3   9.089  -0.786  11.627
   19    HB3  MET   3           1HB      MET   3   7.464  -0.684  10.983
   20    HG2  MET   3           2HG      MET   3   8.521  -1.480   8.770
   21    HG3  MET   3           1HG      MET   3   9.879  -1.966   9.781
   22    HE1  MET   3           3HE      MET   3   6.296  -2.621   8.618
   23    HE2  MET   3           1HE      MET   3   5.940  -2.073  10.256
   24    HE3  MET   3           2HE      MET   3   5.646  -3.754   9.807
   25    H    SER   4           H        SER   4  10.169   2.794  10.440
   26    HA   SER   4           HA       SER   4   9.069   3.533  13.030
   27    HB2  SER   4           2HB      SER   4  11.328   4.835  11.488
   28    HB3  SER   4           1HB      SER   4  10.939   5.061  13.195
   29    HG   SER   4           HG       SER   4  12.623   3.590  13.040
   30    H    ASN   5           H        ASN   5   9.439   4.857   9.749
   31    HA   ASN   5           HA       ASN   5   7.902   7.209  10.572
   32    HB2  ASN   5           2HB      ASN   5   9.070   8.386   9.069
   33    HB3  ASN   5           1HB      ASN   5  10.130   6.987   8.980
   34   HD21  ASN   5          1HD2      ASN   5   9.805   5.471   7.333
   35   HD22  ASN   5          2HD2      ASN   5   9.099   5.966   5.834
   36    H    VAL   6           H        VAL   6   7.242   4.233   9.389
   37    HA   VAL   6           HA       VAL   6   5.458   5.142   7.297
   38    HB   VAL   6           HB       VAL   6   6.905   3.121   7.004
   39   HG11  VAL   6          1HG1      VAL   6   6.151   0.988   7.909
   40   HG12  VAL   6          2HG1      VAL   6   4.962   1.833   8.902
   41   HG13  VAL   6          3HG1      VAL   6   6.684   2.095   9.177
   42   HG21  VAL   6          3HG2      VAL   6   5.059   1.767   5.971
   43   HG22  VAL   6          1HG2      VAL   6   5.165   3.461   5.486
   44   HG23  VAL   6          2HG2      VAL   6   3.940   2.949   6.646
   45    H    VAL   7           H        VAL   7   3.373   5.496   7.587
   46    HA   VAL   7           HA       VAL   7   2.272   5.226  10.232
   47    HB   VAL   7           HB       VAL   7   0.173   6.209   9.152
   48   HG11  VAL   7          1HG1      VAL   7   2.762   7.750   9.032
   49   HG12  VAL   7          2HG1      VAL   7   1.730   7.543  10.448
   50   HG13  VAL   7          3HG1      VAL   7   1.148   8.461   9.057
   51   HG21  VAL   7          3HG2      VAL   7   0.729   5.562   6.828
   52   HG22  VAL   7          1HG2      VAL   7   2.083   6.701   6.866
   53   HG23  VAL   7          2HG2      VAL   7   0.422   7.288   7.003
   54    H    LYS   8           H        LYS   8   2.128   3.473   7.269
   55    HA   LYS   8           HA       LYS   8   0.959   1.264   8.599
   56    HB2  LYS   8           2HB      LYS   8  -1.098   2.503   8.227
   57    HB3  LYS   8           1HB      LYS   8  -0.759   2.606   6.504
   58    HG2  LYS   8           2HG      LYS   8  -2.384   0.887   6.905
   59    HG3  LYS   8           1HG      LYS   8  -0.864   0.131   6.411
   60    HD2  LYS   8           2HD      LYS   8  -1.786  -1.097   8.267
   61    HD3  LYS   8           1HD      LYS   8  -0.329  -0.247   8.784
   62    HE2  LYS   8           2HE      LYS   8  -1.704   1.518   9.765
   63    HE3  LYS   8           1HE      LYS   8  -3.161   0.656   9.268
   64    HZ1  LYS   8           3HZ      LYS   8  -2.717  -1.083  10.754
   65    HZ2  LYS   8           1HZ      LYS   8  -2.417   0.333  11.641
   66    HZ3  LYS   8           2HZ      LYS   8  -1.121  -0.577  11.025
   67    H    THR   9           H        THR   9   1.596  -0.527   7.713
   68    HA   THR   9           HA       THR   9   2.601  -0.474   4.956
   69    HB   THR   9           HB       THR   9   3.519  -1.949   7.396
   70    HG1  THR   9           1HG      THR   9   4.770  -0.229   6.996
   71   HG21  THR   9          3HG2      THR   9   4.117  -2.815   4.565
   72   HG22  THR   9          1HG2      THR   9   3.170  -3.723   5.745
   73   HG23  THR   9          2HG2      THR   9   4.890  -3.446   6.021
   74    H    TYR  10           H        TYR  10   1.929  -2.007   3.555
   75    HA   TYR  10           HA       TYR  10  -0.312  -3.667   4.441
   76    HB2  TYR  10           2HB      TYR  10   0.028  -2.064   1.932
   77    HB3  TYR  10           1HB      TYR  10  -1.103  -3.420   2.020
   78    HD1  TYR  10           2HD      TYR  10  -2.339  -3.358   4.469
   79    HD2  TYR  10           1HD      TYR  10  -1.063  -0.020   2.178
   80    HE1  TYR  10           2HE      TYR  10  -3.971  -1.974   5.627
   81    HE2  TYR  10           1HE      TYR  10  -2.704   1.408   3.332
   82    HH   TYR  10           HH       TYR  10  -4.416   0.355   6.143
   83    H    ASP  11           H        ASP  11  -0.335  -5.610   4.115
   84    HA   ASP  11           HA       ASP  11   1.925  -6.822   2.685
   85    HB2  ASP  11           2HB      ASP  11   0.052  -8.082   4.719
   86    HB3  ASP  11           1HB      ASP  11   1.432  -8.866   3.958
   87    H    LEU  12           H        LEU  12   1.575  -7.821   0.891
   88    HA   LEU  12           HA       LEU  12  -1.054  -7.625  -0.276
   89    HB2  LEU  12           2HB      LEU  12   1.624  -8.406  -1.347
   90    HB3  LEU  12           1HB      LEU  12   0.166  -8.730  -2.276
   91    HG   LEU  12           HG       LEU  12  -0.391  -6.297  -2.063
   92   HD11  LEU  12          1HD1      LEU  12   2.427  -6.067  -1.103
   93   HD12  LEU  12          2HD1      LEU  12   0.964  -5.741  -0.169
   94   HD13  LEU  12          3HD1      LEU  12   1.367  -4.732  -1.558
   95   HD21  LEU  12          3HD2      LEU  12   1.874  -7.397  -3.608
   96   HD22  LEU  12          1HD2      LEU  12   1.549  -5.663  -3.691
   97   HD23  LEU  12          2HD2      LEU  12   0.303  -6.821  -4.156
   98    H    GLN  13           H        GLN  13   0.299  -9.941   1.624
   99    HA   GLN  13           HA       GLN  13  -0.952 -11.666   2.514
  100    HB2  GLN  13           2HB      GLN  13  -2.982 -10.694   1.416
  101    HB3  GLN  13           1HB      GLN  13  -2.605 -11.633  -0.019
  102    HG2  GLN  13           2HG      GLN  13  -2.842 -13.695   1.269
  103    HG3  GLN  13           1HG      GLN  13  -3.231 -12.742   2.706
  104   HE21  GLN  13          1HE2      GLN  13  -4.320 -13.731  -0.456
  105   HE22  GLN  13          2HE2      GLN  13  -5.984 -13.316  -0.235
  106    H    ASP  14           H        ASP  14   0.315 -11.564  -0.677
  107    HA   ASP  14           HA       ASP  14   0.760 -14.463  -0.727
  108    HB2  ASP  14           2HB      ASP  14  -0.312 -13.598  -2.725
  109    HB3  ASP  14           1HB      ASP  14   0.934 -12.367  -2.903
  110    H    GLY  15           H        GLY  15   2.418 -11.382  -1.294
  111    HA2  GLY  15           2HA      GLY  15   4.775 -12.369   0.009
  112    HA3  GLY  15           1HA      GLY  15   4.961 -12.292  -1.723
  113    H    SER  16           H        SER  16   3.778  -9.896  -2.376
  114    HA   SER  16           HA       SER  16   5.990  -8.240  -1.709
  115    HB2  SER  16           2HB      SER  16   3.490  -7.332  -3.102
  116    HB3  SER  16           1HB      SER  16   5.118  -6.703  -3.275
  117    HG   SER  16           HG       SER  16   4.124  -8.328  -4.902
  118    H    LYS  17           H        LYS  17   5.847  -6.060  -0.851
  119    HA   LYS  17           HA       LYS  17   3.519  -5.634   0.909
  120    HB2  LYS  17           2HB      LYS  17   6.394  -4.886   1.526
  121    HB3  LYS  17           1HB      LYS  17   5.008  -4.689   2.590
  122    HG2  LYS  17           2HG      LYS  17   4.788  -7.195   2.588
  123    HG3  LYS  17           1HG      LYS  17   6.347  -7.243   1.745
  124    HD2  LYS  17           2HD      LYS  17   7.397  -6.040   3.580
  125    HD3  LYS  17           1HD      LYS  17   5.849  -5.926   4.418
  126    HE2  LYS  17           2HE      LYS  17   7.324  -8.473   3.756
  127    HE3  LYS  17           1HE      LYS  17   7.240  -7.712   5.341
  128    HZ1  LYS  17           3HZ      LYS  17   5.067  -9.023   3.823
  129    HZ2  LYS  17           1HZ      LYS  17   4.742  -7.976   5.121
  130    HZ3  LYS  17           2HZ      LYS  17   5.645  -9.392   5.373
  131    H    VAL  18           H        VAL  18   2.802  -3.570   1.114
  132    HA   VAL  18           HA       VAL  18   4.119  -1.464  -0.491
  133    HB   VAL  18           HB       VAL  18   1.170  -2.035  -0.048
  134   HG11  VAL  18          1HG1      VAL  18   1.516   0.367   0.221
  135   HG12  VAL  18          2HG1      VAL  18   0.698   0.034  -1.304
  136   HG13  VAL  18          3HG1      VAL  18   2.417   0.426  -1.294
  137   HG21  VAL  18          3HG2      VAL  18   2.321  -3.237  -1.887
  138   HG22  VAL  18          1HG2      VAL  18   2.748  -1.688  -2.605
  139   HG23  VAL  18          2HG2      VAL  18   1.053  -2.157  -2.463
  140    H    HIS  19           H        HIS  19   4.229   0.601   0.537
  141    HA   HIS  19           HA       HIS  19   3.154   0.675   3.270
  142    HB2  HIS  19           2HB      HIS  19   5.831   1.889   2.790
  143    HB3  HIS  19           1HB      HIS  19   5.130   1.288   4.281
  144    HD1  HIS  19           1HD      HIS  19   4.662  -1.599   3.799
  145    HD2  HIS  19           2HD      HIS  19   7.945   0.408   2.300
  146    HE1  HIS  19           1HE      HIS  19   6.348  -3.389   3.284
  147    HE2  HIS  19           2HE      HIS  19   8.391  -2.147   2.488
  148    H    VAL  20           H        VAL  20   2.201   2.490   3.814
  149    HA   VAL  20           HA       VAL  20   2.606   4.839   2.097
  150    HB   VAL  20           HB       VAL  20   0.424   4.310   4.137
  151   HG11  VAL  20          1HG1      VAL  20  -0.597   6.373   3.281
  152   HG12  VAL  20          2HG1      VAL  20   0.785   6.620   2.214
  153   HG13  VAL  20          3HG1      VAL  20   0.998   6.693   3.963
  154   HG21  VAL  20          3HG2      VAL  20   0.260   4.418   1.123
  155   HG22  VAL  20          1HG2      VAL  20  -1.078   4.136   2.234
  156   HG23  VAL  20          2HG2      VAL  20   0.215   2.945   2.093
  157    H    PHE  21           H        PHE  21   3.983   6.269   2.860
  158    HA   PHE  21           HA       PHE  21   4.956   5.875   5.579
  159    HB2  PHE  21           2HB      PHE  21   6.103   7.347   3.201
  160    HB3  PHE  21           1HB      PHE  21   6.860   7.314   4.792
  161    HD1  PHE  21           2HD      PHE  21   7.676   5.095   5.735
  162    HD2  PHE  21           1HD      PHE  21   6.310   5.550   1.707
  163    HE1  PHE  21           2HE      PHE  21   8.741   2.974   5.125
  164    HE2  PHE  21           1HE      PHE  21   7.389   3.425   1.112
  165    HZ   PHE  21           HZ       PHE  21   8.697   2.164   2.906
  166    H    LYS  22           H        LYS  22   5.519   7.804   6.889
  167    HA   LYS  22           HA       LYS  22   3.200   9.437   7.164
  168    HB2  LYS  22           2HB      LYS  22   4.259  10.319   9.103
  169    HB3  LYS  22           1HB      LYS  22   4.759   8.635   9.006
  170    HG2  LYS  22           2HG      LYS  22   6.870   9.262   8.077
  171    HG3  LYS  22           1HG      LYS  22   6.402  10.963   8.080
  172    HD2  LYS  22           2HD      LYS  22   6.635   9.221  10.539
  173    HD3  LYS  22           1HD      LYS  22   7.853  10.373   9.994
  174    HE2  LYS  22           2HE      LYS  22   5.014  11.115  10.698
  175    HE3  LYS  22           1HE      LYS  22   6.373  11.228  11.813
  176    HZ1  LYS  22           3HZ      LYS  22   6.047  12.721   9.262
  177    HZ2  LYS  22           1HZ      LYS  22   7.446  12.759  10.221
  178    HZ3  LYS  22           2HZ      LYS  22   5.985  13.360  10.828
  179    H    ASP  23           H        ASP  23   6.070   9.693   5.401
  180    HA   ASP  23           HA       ASP  23   6.174  12.534   5.132
  181    HB2  ASP  23           2HB      ASP  23   8.192  11.074   4.980
  182    HB3  ASP  23           1HB      ASP  23   7.522  10.339   3.532
  183    H    GLY  24           H        GLY  24   4.271  10.087   4.081
  184    HA2  GLY  24           2HA      GLY  24   2.367  10.365   2.827
  185    HA3  GLY  24           1HA      GLY  24   3.084  11.776   2.095
  186    H    LYS  25           H        LYS  25   5.506   9.669   1.812
  187    HA   LYS  25           HA       LYS  25   4.870   9.003  -0.891
  188    HB2  LYS  25           2HB      LYS  25   7.213   8.374   0.874
  189    HB3  LYS  25           1HB      LYS  25   7.085   7.842  -0.799
  190    HG2  LYS  25           2HG      LYS  25   6.924  10.149  -1.530
  191    HG3  LYS  25           1HG      LYS  25   7.032  10.678   0.140
  192    HD2  LYS  25           2HD      LYS  25   9.128   9.080  -1.279
  193    HD3  LYS  25           1HD      LYS  25   9.168  10.832  -1.101
  194    HE2  LYS  25           2HE      LYS  25  10.508  10.137   0.656
  195    HE3  LYS  25           1HE      LYS  25   8.939  10.322   1.433
  196    HZ1  LYS  25           3HZ      LYS  25   8.608   7.936   1.217
  197    HZ2  LYS  25           1HZ      LYS  25  10.003   8.279   2.112
  198    HZ3  LYS  25           2HZ      LYS  25  10.128   7.763   0.497
  199    H    MET  26           H        MET  26   5.526   6.737  -1.573
  200    HA   MET  26           HA       MET  26   4.510   4.688   0.247
  201    HB2  MET  26           2HB      MET  26   3.677   4.960  -2.649
  202    HB3  MET  26           1HB      MET  26   3.259   3.628  -1.585
  203    HG2  MET  26           2HG      MET  26   1.346   4.878  -1.516
  204    HG3  MET  26           1HG      MET  26   2.208   5.497  -0.109
  205    HE1  MET  26           3HE      MET  26   2.977   6.222  -3.905
  206    HE2  MET  26           1HE      MET  26   2.028   7.683  -4.176
  207    HE3  MET  26           2HE      MET  26   1.215   6.151  -3.856
  208    H    GLY  27           H        GLY  27   5.580   2.788   0.130
  209    HA2  GLY  27           2HA      GLY  27   7.563   2.494  -2.029
  210    HA3  GLY  27           1HA      GLY  27   8.003   2.235  -0.350
  211    H    MET  28           H        MET  28   7.902   0.428  -2.772
  212    HA   MET  28           HA       MET  28   6.166  -1.641  -1.605
  213    HB2  MET  28           2HB      MET  28   5.407  -0.855  -3.822
  214    HB3  MET  28           1HB      MET  28   6.964  -1.319  -4.500
  215    HG2  MET  28           2HG      MET  28   6.509  -3.656  -3.817
  216    HG3  MET  28           1HG      MET  28   4.906  -3.149  -3.290
  217    HE1  MET  28           3HE      MET  28   5.302  -5.525  -5.326
  218    HE2  MET  28           1HE      MET  28   4.073  -5.143  -6.532
  219    HE3  MET  28           2HE      MET  28   3.721  -4.932  -4.817
  220    H    GLU  29           H        GLU  29   6.972  -3.633  -1.283
  221    HA   GLU  29           HA       GLU  29   9.688  -4.236  -2.234
  222    HB2  GLU  29           2HB      GLU  29   8.511  -4.624   0.508
  223    HB3  GLU  29           1HB      GLU  29   9.784  -5.690  -0.073
  224    HG2  GLU  29           2HG      GLU  29  11.341  -3.975  -0.192
  225    HG3  GLU  29           1HG      GLU  29  10.102  -2.722  -0.139
  226    H    ASN  30           H        ASN  30  10.004  -6.424  -2.848
  227    HA   ASN  30           HA       ASN  30   7.506  -7.742  -3.542
  228    HB2  ASN  30           2HB      ASN  30   8.918  -9.294  -4.851
  229    HB3  ASN  30           1HB      ASN  30   9.192  -7.612  -5.286
  230   HD21  ASN  30          1HD2      ASN  30  11.191  -8.290  -6.181
  231   HD22  ASN  30          2HD2      ASN  30  12.552  -8.586  -5.161
  232    H    LYS  31           H        LYS  31   7.425 -10.171  -3.290
  233    HA   LYS  31           HA       LYS  31   7.463 -11.053  -0.732
  234    HB2  LYS  31           2HB      LYS  31   7.264 -13.286  -1.587
  235    HB3  LYS  31           1HB      LYS  31   6.418 -12.177  -2.653
  236    HG2  LYS  31           2HG      LYS  31   8.410 -12.203  -4.147
  237    HG3  LYS  31           1HG      LYS  31   9.067 -13.496  -3.137
  238    HD2  LYS  31           2HD      LYS  31   7.954 -14.485  -5.029
  239    HD3  LYS  31           1HD      LYS  31   7.006 -14.812  -3.575
  240    HE2  LYS  31           2HE      LYS  31   5.511 -12.966  -4.132
  241    HE3  LYS  31           1HE      LYS  31   6.462 -12.622  -5.575
  242    HZ1  LYS  31           3HZ      LYS  31   5.894 -14.825  -6.419
  243    HZ2  LYS  31           1HZ      LYS  31   4.502 -13.899  -6.122
  244    HZ3  LYS  31           2HZ      LYS  31   4.952 -15.125  -5.041
  245    H    PHE  32           H        PHE  32  10.289 -10.546  -2.595
  246    HA   PHE  32           HA       PHE  32  11.873 -12.420  -1.025
  247    HB2  PHE  32           2HB      PHE  32  12.729 -10.573  -3.264
  248    HB3  PHE  32           1HB      PHE  32  13.700 -11.850  -2.540
  249    HD1  PHE  32           1HD      PHE  32  13.104 -14.220  -2.925
  250    HD2  PHE  32           2HD      PHE  32  11.110 -11.042  -4.928
  251    HE1  PHE  32           1HE      PHE  32  12.240 -15.815  -4.588
  252    HE2  PHE  32           2HE      PHE  32  10.241 -12.630  -6.593
  253    HZ   PHE  32           HZ       PHE  32  10.805 -15.018  -6.423
  254    H    GLY  33           H        GLY  33  10.751  -9.297  -0.722
  255    HA2  GLY  33           2HA      GLY  33  11.211  -7.890   1.071
  256    HA3  GLY  33           1HA      GLY  33  12.705  -8.768   1.361
  257    H    LYS  34           H        LYS  34  12.015  -7.777  -1.832
  258    HA   LYS  34           HA       LYS  34  14.203  -5.822  -1.615
  259    HB2  LYS  34           2HB      LYS  34  13.187  -7.374  -3.990
  260    HB3  LYS  34           1HB      LYS  34  14.466  -6.166  -4.059
  261    HG2  LYS  34           2HG      LYS  34  14.606  -8.518  -2.243
  262    HG3  LYS  34           1HG      LYS  34  15.158  -8.605  -3.911
  263    HD2  LYS  34           2HD      LYS  34  16.693  -6.715  -3.436
  264    HD3  LYS  34           1HD      LYS  34  16.163  -6.745  -1.753
  265    HE2  LYS  34           2HE      LYS  34  17.594  -8.936  -3.250
  266    HE3  LYS  34           1HE      LYS  34  18.249  -7.934  -1.956
  267    HZ1  LYS  34           3HZ      LYS  34  16.549  -8.907  -0.468
  268    HZ2  LYS  34           1HZ      LYS  34  17.638 -10.057  -1.079
  269    HZ3  LYS  34           2HZ      LYS  34  16.080  -9.948  -1.724
  270    H    SER  35           H        SER  35  14.065  -3.862  -2.356
  271    HA   SER  35           HA       SER  35  11.474  -2.669  -2.438
  272    HB2  SER  35           2HB      SER  35  12.753  -0.556  -2.860
  273    HB3  SER  35           1HB      SER  35  13.286  -1.448  -1.438
  274    HG   SER  35           HG       SER  35  14.961  -2.349  -2.810
  275    H    MET  36           H        MET  36  10.242  -2.080  -4.120
  276    HA   MET  36           HA       MET  36  11.334  -1.924  -6.796
  277    HB2  MET  36           2HB      MET  36   9.719  -3.585  -7.714
  278    HB3  MET  36           1HB      MET  36  10.949  -4.304  -6.686
  279    HG2  MET  36           2HG      MET  36   9.422  -4.611  -4.910
  280    HG3  MET  36           1HG      MET  36   8.214  -3.586  -5.677
  281    HE1  MET  36           3HE      MET  36   6.885  -5.733  -8.584
  282    HE2  MET  36           1HE      MET  36   8.117  -4.472  -8.641
  283    HE3  MET  36           2HE      MET  36   6.693  -4.267  -7.620
  284    H    ASN  37           H        ASN  37   9.451  -1.546  -8.386
  285    HA   ASN  37           HA       ASN  37   7.348   0.051  -7.091
  286    HB2  ASN  37           2HB      ASN  37   7.415   1.567  -9.055
  287    HB3  ASN  37           1HB      ASN  37   8.927   1.569  -8.158
  288   HD21  ASN  37          1HD2      ASN  37  10.754   0.611  -9.055
  289   HD22  ASN  37          2HD2      ASN  37  10.861   0.267 -10.751
  290    H    MET  38           H        MET  38   5.300  -0.162  -7.917
  291    HA   MET  38           HA       MET  38   4.912  -2.471  -9.660
  292    HB2  MET  38           2HB      MET  38   2.650  -2.548  -8.744
  293    HB3  MET  38           1HB      MET  38   3.847  -2.587  -7.462
  294    HG2  MET  38           2HG      MET  38   3.469  -0.112  -7.201
  295    HG3  MET  38           1HG      MET  38   2.092  -0.302  -8.291
  296    HE1  MET  38           3HE      MET  38   2.058   0.839  -5.229
  297    HE2  MET  38           1HE      MET  38   0.543   0.128  -4.667
  298    HE3  MET  38           2HE      MET  38   0.645   0.822  -6.287
  299    HA   PRO  39           HA       PRO  39   3.400   0.013 -12.965
  300    HB2  PRO  39           2HB      PRO  39   1.601  -1.698 -14.071
  301    HB3  PRO  39           1HB      PRO  39   3.349  -1.903 -14.231
  302    HG2  PRO  39           2HG      PRO  39   1.454  -3.234 -12.330
  303    HG3  PRO  39           1HG      PRO  39   2.772  -3.953 -13.278
  304    HD2  PRO  39           2HD      PRO  39   3.046  -3.353 -10.665
  305    HD3  PRO  39           1HD      PRO  39   4.397  -3.207 -11.806
  306    H    GLU  40           H        GLU  40   1.823   1.469 -13.328
  307    HA   GLU  40           HA       GLU  40  -0.268   1.794 -11.417
  308    HB2  GLU  40           2HB      GLU  40   0.876   3.680 -12.560
  309    HB3  GLU  40           1HB      GLU  40   0.145   3.174 -14.079
  310    HG2  GLU  40           2HG      GLU  40  -2.089   3.484 -12.961
  311    HG3  GLU  40           1HG      GLU  40  -1.217   4.258 -11.638
  312    H    GLY  41           H        GLY  41  -2.409   1.224 -11.563
  313    HA2  GLY  41           2HA      GLY  41  -4.367   0.952 -12.979
  314    HA3  GLY  41           1HA      GLY  41  -3.329   0.179 -14.165
  315    H    LYS  42           H        LYS  42  -2.075  -1.224 -11.652
  316    HA   LYS  42           HA       LYS  42  -3.966  -3.450 -11.781
  317    HB2  LYS  42           2HB      LYS  42  -1.091  -3.275 -10.923
  318    HB3  LYS  42           1HB      LYS  42  -2.070  -4.710 -10.672
  319    HG2  LYS  42           2HG      LYS  42  -1.337  -3.460 -13.311
  320    HG3  LYS  42           1HG      LYS  42  -0.771  -5.004 -12.665
  321    HD2  LYS  42           2HD      LYS  42  -3.097  -5.832 -12.695
  322    HD3  LYS  42           1HD      LYS  42  -3.611  -4.307 -13.419
  323    HE2  LYS  42           2HE      LYS  42  -3.394  -5.888 -15.177
  324    HE3  LYS  42           1HE      LYS  42  -2.033  -4.774 -15.305
  325    HZ1  LYS  42           3HZ      LYS  42  -0.638  -6.420 -14.199
  326    HZ2  LYS  42           1HZ      LYS  42  -1.325  -7.050 -15.617
  327    HZ3  LYS  42           2HZ      LYS  42  -1.952  -7.493 -14.103
  328    H    VAL  43           H        VAL  43  -5.162  -4.090 -10.132
  329    HA   VAL  43           HA       VAL  43  -4.675  -2.852  -7.529
  330    HB   VAL  43           HB       VAL  43  -6.960  -2.653  -8.477
  331   HG11  VAL  43          1HG1      VAL  43  -7.158  -4.766  -9.628
  332   HG12  VAL  43          2HG1      VAL  43  -8.451  -4.607  -8.438
  333   HG13  VAL  43          3HG1      VAL  43  -7.060  -5.639  -8.101
  334   HG21  VAL  43          3HG2      VAL  43  -8.154  -3.276  -6.436
  335   HG22  VAL  43          1HG2      VAL  43  -6.614  -2.489  -6.084
  336   HG23  VAL  43          2HG2      VAL  43  -6.769  -4.239  -5.926
  337    H    MET  44           H        MET  44  -4.090  -3.968  -5.789
  338    HA   MET  44           HA       MET  44  -3.612  -6.857  -6.138
  339    HB2  MET  44           2HB      MET  44  -2.027  -4.745  -4.689
  340    HB3  MET  44           1HB      MET  44  -1.863  -6.445  -4.281
  341    HG2  MET  44           2HG      MET  44  -0.102  -5.841  -5.764
  342    HG3  MET  44           1HG      MET  44  -1.217  -6.902  -6.620
  343    HE1  MET  44           3HE      MET  44  -0.112  -3.153  -6.078
  344    HE2  MET  44           1HE      MET  44  -1.859  -3.114  -5.823
  345    HE3  MET  44           2HE      MET  44  -1.155  -2.326  -7.235
  346    H    GLU  45           H        GLU  45  -3.970  -8.205  -4.337
  347    HA   GLU  45           HA       GLU  45  -5.941  -7.148  -2.477
  348    HB2  GLU  45           2HB      GLU  45  -6.536  -9.163  -3.690
  349    HB3  GLU  45           1HB      GLU  45  -5.067  -9.965  -3.148
  350    HG2  GLU  45           2HG      GLU  45  -5.843 -10.137  -0.959
  351    HG3  GLU  45           1HG      GLU  45  -7.147  -8.982  -1.233
  352    H    THR  46           H        THR  46  -5.714  -7.355  -0.273
  353    HA   THR  46           HA       THR  46  -2.914  -7.633   0.652
  354    HB   THR  46           HB       THR  46  -3.497  -6.009   2.432
  355    HG1  THR  46           1HG      THR  46  -5.912  -5.811   0.925
  356   HG21  THR  46          3HG2      THR  46  -2.363  -5.248   0.411
  357   HG22  THR  46          1HG2      THR  46  -3.482  -4.018   0.997
  358   HG23  THR  46          2HG2      THR  46  -3.918  -5.019  -0.387
  359    H    ARG  47           H        ARG  47  -2.610  -8.346   2.861
  360    HA   ARG  47           HA       ARG  47  -3.821 -10.652   3.659
  361    HB2  ARG  47           2HB      ARG  47  -2.370  -8.497   5.132
  362    HB3  ARG  47           1HB      ARG  47  -3.095  -9.813   6.036
  363    HG2  ARG  47           2HG      ARG  47  -1.073 -10.110   3.828
  364    HG3  ARG  47           1HG      ARG  47  -0.722 -10.188   5.558
  365    HD2  ARG  47           2HD      ARG  47  -2.452 -12.063   3.956
  366    HD3  ARG  47           1HD      ARG  47  -0.894 -12.419   4.694
  367    HE   ARG  47           HE       ARG  47  -2.350 -11.731   6.835
  368   HH11  ARG  47          1HH1      ARG  47  -3.026 -13.902   4.174
  369   HH12  ARG  47          2HH1      ARG  47  -4.071 -14.935   5.099
  370   HH21  ARG  47          1HH2      ARG  47  -3.699 -13.100   8.075
  371   HH22  ARG  47          2HH2      ARG  47  -4.466 -14.471   7.325
  372    H    ASP  48           H        ASP  48  -5.008  -7.445   4.107
  373    HA   ASP  48           HA       ASP  48  -6.652  -8.068   6.383
  374    HB2  ASP  48           2HB      ASP  48  -5.588  -5.922   6.267
  375    HB3  ASP  48           1HB      ASP  48  -6.299  -5.591   4.692
  376    H    GLY  49           H        GLY  49  -6.970  -8.569   3.092
  377    HA2  GLY  49           2HA      GLY  49  -8.841  -9.537   2.061
  378    HA3  GLY  49           1HA      GLY  49  -9.843  -8.971   3.391
  379    H    THR  50           H        THR  50  -7.685  -6.699   2.120
  380    HA   THR  50           HA       THR  50  -9.898  -5.295   0.783
  381    HB   THR  50           HB       THR  50  -7.862  -3.462   1.342
  382    HG1  THR  50           1HG      THR  50  -8.395  -4.690   3.810
  383   HG21  THR  50          3HG2      THR  50 -10.345  -3.995   2.976
  384   HG22  THR  50          1HG2      THR  50 -10.298  -3.066   1.474
  385   HG23  THR  50          2HG2      THR  50  -9.433  -2.486   2.896
  386    H    LYS  51           H        LYS  51  -8.937  -3.582  -0.794
  387    HA   LYS  51           HA       LYS  51  -6.844  -4.885  -2.412
  388    HB2  LYS  51           2HB      LYS  51  -9.085  -3.140  -3.445
  389    HB3  LYS  51           1HB      LYS  51  -7.959  -4.100  -4.391
  390    HG2  LYS  51           2HG      LYS  51  -9.974  -5.281  -2.499
  391    HG3  LYS  51           1HG      LYS  51 -10.269  -5.025  -4.218
  392    HD2  LYS  51           2HD      LYS  51  -8.311  -6.470  -4.716
  393    HD3  LYS  51           1HD      LYS  51  -8.153  -6.789  -2.986
  394    HE2  LYS  51           2HE      LYS  51 -10.330  -7.802  -2.916
  395    HE3  LYS  51           1HE      LYS  51 -10.642  -7.347  -4.590
  396    HZ1  LYS  51           3HZ      LYS  51  -8.733  -8.803  -5.209
  397    HZ2  LYS  51           1HZ      LYS  51 -10.064  -9.624  -4.549
  398    HZ3  LYS  51           2HZ      LYS  51  -8.692  -9.353  -3.600
  399    H    ILE  52           H        ILE  52  -5.286  -3.562  -3.335
  400    HA   ILE  52           HA       ILE  52  -5.493  -0.663  -2.899
  401    HB   ILE  52           HB       ILE  52  -3.041  -0.590  -2.429
  402   HG12  ILE  52          2HG1      ILE  52  -3.338  -3.586  -2.095
  403   HG13  ILE  52          1HG1      ILE  52  -2.498  -2.798  -3.426
  404   HG21  ILE  52          1HG2      ILE  52  -4.650  -2.209  -0.453
  405   HG22  ILE  52          2HG2      ILE  52  -4.674  -0.452  -0.608
  406   HG23  ILE  52          3HG2      ILE  52  -3.201  -1.271  -0.091
  407   HD11  ILE  52          3HD1      ILE  52  -1.728  -2.696  -0.520
  408   HD12  ILE  52          1HD1      ILE  52  -0.897  -1.850  -1.824
  409   HD13  ILE  52          2HD1      ILE  52  -0.925  -3.613  -1.790
  410    H    ILE  53           H        ILE  53  -4.339   0.607  -4.396
  411    HA   ILE  53           HA       ILE  53  -2.835  -0.595  -6.515
  412    HB   ILE  53           HB       ILE  53  -4.770  -1.110  -7.697
  413   HG12  ILE  53          2HG1      ILE  53  -3.905   1.647  -8.563
  414   HG13  ILE  53          1HG1      ILE  53  -3.370   0.098  -9.196
  415   HG21  ILE  53          1HG2      ILE  53  -6.385  -0.079  -6.221
  416   HG22  ILE  53          2HG2      ILE  53  -6.739   0.328  -7.901
  417   HG23  ILE  53          3HG2      ILE  53  -5.972   1.517  -6.846
  418   HD11  ILE  53          3HD1      ILE  53  -6.150   1.207  -9.485
  419   HD12  ILE  53          1HD1      ILE  53  -5.522  -0.273 -10.209
  420   HD13  ILE  53          2HD1      ILE  53  -4.884   1.297 -10.711
  421    H    MET  54           H        MET  54  -1.798   0.986  -7.882
  422    HA   MET  54           HA       MET  54  -1.841   3.692  -6.719
  423    HB2  MET  54           2HB      MET  54   0.355   2.542  -6.545
  424    HB3  MET  54           1HB      MET  54   0.377   2.359  -8.295
  425    HG2  MET  54           2HG      MET  54   0.321   4.820  -8.514
  426    HG3  MET  54           1HG      MET  54   0.414   4.946  -6.759
  427    HE1  MET  54           3HE      MET  54   2.239   2.395  -9.158
  428    HE2  MET  54           1HE      MET  54   3.760   3.241  -9.438
  429    HE3  MET  54           2HE      MET  54   2.248   3.917 -10.047
  430    H    LYS  55           H        LYS  55  -3.130   4.912  -7.940
  431    HA   LYS  55           HA       LYS  55  -2.749   4.792 -10.857
  432    HB2  LYS  55           2HB      LYS  55  -4.936   3.779 -10.183
  433    HB3  LYS  55           1HB      LYS  55  -5.385   5.319  -9.464
  434    HG2  LYS  55           2HG      LYS  55  -6.405   5.086 -11.643
  435    HG3  LYS  55           1HG      LYS  55  -5.210   6.384 -11.671
  436    HD2  LYS  55           2HD      LYS  55  -3.573   4.768 -12.632
  437    HD3  LYS  55           1HD      LYS  55  -4.874   3.580 -12.738
  438    HE2  LYS  55           2HE      LYS  55  -6.102   5.005 -14.258
  439    HE3  LYS  55           1HE      LYS  55  -4.905   6.288 -14.071
  440    HZ1  LYS  55           3HZ      LYS  55  -4.456   3.622 -15.311
  441    HZ2  LYS  55           1HZ      LYS  55  -3.243   4.783 -15.045
  442    HZ3  LYS  55           2HZ      LYS  55  -4.515   5.115 -16.114
  443    H    GLY  56           H        GLY  56  -2.328   6.712 -11.787
  444    HA2  GLY  56           2HA      GLY  56  -1.982   8.977 -12.013
  445    HA3  GLY  56           1HA      GLY  56  -3.170   9.219 -10.738
  446    H    ASN  57           H        ASN  57  -0.331   7.252 -10.325
  447    HA   ASN  57           HA       ASN  57   1.372   7.303  -8.831
  448    HB2  ASN  57           2HB      ASN  57   1.759   9.465 -10.307
  449    HB3  ASN  57           1HB      ASN  57   1.378  10.298  -8.804
  450   HD21  ASN  57          1HD2      ASN  57   2.577   8.318  -7.079
  451   HD22  ASN  57          2HD2      ASN  57   4.295   8.442  -7.289
  452    H    GLU  58           H        GLU  58  -1.402   7.445  -7.958
  453    HA   GLU  58           HA       GLU  58  -0.966   8.474  -5.229
  454    HB2  GLU  58           2HB      GLU  58  -3.575   8.418  -6.767
  455    HB3  GLU  58           1HB      GLU  58  -3.399   8.888  -5.082
  456    HG2  GLU  58           2HG      GLU  58  -1.981  10.768  -5.764
  457    HG3  GLU  58           1HG      GLU  58  -2.198  10.304  -7.451
  458    H    ILE  59           H        ILE  59  -1.773   7.186  -3.549
  459    HA   ILE  59           HA       ILE  59  -2.119   4.417  -4.370
  460    HB   ILE  59           HB       ILE  59  -0.862   5.691  -2.111
  461   HG12  ILE  59          2HG1      ILE  59   0.209   4.099  -3.618
  462   HG13  ILE  59          1HG1      ILE  59   0.259   3.516  -1.957
  463   HG21  ILE  59          1HG2      ILE  59  -1.516   4.112  -0.362
  464   HG22  ILE  59          2HG2      ILE  59  -2.763   3.456  -1.425
  465   HG23  ILE  59          3HG2      ILE  59  -2.870   5.125  -0.867
  466   HD11  ILE  59          3HD1      ILE  59  -0.243   1.728  -3.533
  467   HD12  ILE  59          1HD1      ILE  59  -1.683   2.599  -4.065
  468   HD13  ILE  59          2HD1      ILE  59  -1.575   1.999  -2.408
  469    H    PHE  60           H        PHE  60  -4.027   3.691  -4.663
  470    HA   PHE  60           HA       PHE  60  -6.334   4.563  -3.149
  471    HB2  PHE  60           2HB      PHE  60  -7.001   3.973  -5.266
  472    HB3  PHE  60           1HB      PHE  60  -5.747   2.764  -5.447
  473    HD1  PHE  60           1HD      PHE  60  -6.091   0.570  -4.100
  474    HD2  PHE  60           2HD      PHE  60  -9.215   3.303  -5.001
  475    HE1  PHE  60           1HE      PHE  60  -7.702  -1.241  -3.886
  476    HE2  PHE  60           2HE      PHE  60 -10.863   1.482  -4.760
  477    HZ   PHE  60           HZ       PHE  60 -10.098  -0.803  -4.204
  478    H    ARG  61           H        ARG  61  -6.493   3.932  -1.124
  479    HA   ARG  61           HA       ARG  61  -5.955   1.100  -0.558
  480    HB2  ARG  61           2HB      ARG  61  -4.563   2.325   0.929
  481    HB3  ARG  61           1HB      ARG  61  -5.799   3.535   1.229
  482    HG2  ARG  61           2HG      ARG  61  -5.389   2.019   3.139
  483    HG3  ARG  61           1HG      ARG  61  -7.058   2.017   2.572
  484    HD2  ARG  61           2HD      ARG  61  -6.587  -0.051   1.305
  485    HD3  ARG  61           1HD      ARG  61  -4.959  -0.069   1.978
  486    HE   ARG  61           HE       ARG  61  -6.858   0.084   4.054
  487   HH11  ARG  61          1HH1      ARG  61  -5.500  -2.165   1.745
  488   HH12  ARG  61          2HH1      ARG  61  -5.915  -3.568   2.677
  489   HH21  ARG  61          1HH2      ARG  61  -7.392  -1.727   5.291
  490   HH22  ARG  61          2HH2      ARG  61  -7.006  -3.321   4.706
  491    H    LEU  62           H        LEU  62  -7.756   0.075  -0.711
  492    HA   LEU  62           HA       LEU  62  -9.933  -0.162  -1.485
  493    HB2  LEU  62           2HB      LEU  62 -11.542  -0.153   0.297
  494    HB3  LEU  62           1HB      LEU  62 -10.013  -0.778   0.876
  495    HG   LEU  62           HG       LEU  62 -10.272   2.075   1.383
  496   HD11  LEU  62          1HD1      LEU  62 -12.291   0.207   2.623
  497   HD12  LEU  62          2HD1      LEU  62 -12.647   1.543   1.526
  498   HD13  LEU  62          3HD1      LEU  62 -11.981   1.868   3.126
  499   HD21  LEU  62          3HD2      LEU  62  -9.832  -0.358   3.112
  500   HD22  LEU  62          1HD2      LEU  62  -9.654   1.315   3.645
  501   HD23  LEU  62          2HD2      LEU  62  -8.584   0.665   2.398
  502    H    ASP  63           H        ASP  63  -8.807   2.784  -1.553
  503    HA   ASP  63           HA       ASP  63  -9.399   4.913  -1.899
  504    HB2  ASP  63           2HB      ASP  63 -10.286   4.027  -3.961
  505    HB3  ASP  63           1HB      ASP  63 -11.794   3.624  -3.167
  506    H    GLU  64           H        GLU  64 -10.501   6.649  -1.121
  507    HA   GLU  64           HA       GLU  64 -11.966   7.904   0.077
  508    HB2  GLU  64           2HB      GLU  64 -13.772   6.271  -0.525
  509    HB3  GLU  64           1HB      GLU  64 -13.386   5.388   0.946
  510    HG2  GLU  64           2HG      GLU  64 -13.810   7.558   2.186
  511    HG3  GLU  64           1HG      GLU  64 -14.500   8.159   0.678
  512    H    ALA  65           H        ALA  65 -10.356   5.138   1.399
  513    HA   ALA  65           HA       ALA  65 -10.352   5.835   4.120
  514    HB1  ALA  65           1HB      ALA  65  -9.377   3.760   2.896
  515    HB2  ALA  65           2HB      ALA  65  -8.602   4.339   4.373
  516    HB3  ALA  65           3HB      ALA  65  -7.904   4.727   2.800
  517    H    LEU  66           H        LEU  66  -8.588   6.994   1.384
  518    HA   LEU  66           HA       LEU  66  -6.970   8.816   2.990
  519    HB2  LEU  66           2HB      LEU  66  -6.952   8.434   0.006
  520    HB3  LEU  66           1HB      LEU  66  -5.707   9.170   1.002
  521    HG   LEU  66           HG       LEU  66  -5.939   6.639   2.067
  522   HD11  LEU  66          1HD1      LEU  66  -6.123   6.424  -0.933
  523   HD12  LEU  66          2HD1      LEU  66  -7.363   5.926   0.216
  524   HD13  LEU  66          3HD1      LEU  66  -5.805   5.098   0.185
  525   HD21  LEU  66          3HD2      LEU  66  -4.035   7.627  -0.043
  526   HD22  LEU  66          1HD2      LEU  66  -3.761   6.278   1.061
  527   HD23  LEU  66          2HD2      LEU  66  -3.913   7.918   1.694
  528    H    ARG  67           H        ARG  67  -9.743   8.677   0.986
  529    HA   ARG  67           HA       ARG  67  -9.901  11.399   0.210
  530    HB2  ARG  67           2HB      ARG  67 -11.157   9.675  -0.967
  531    HB3  ARG  67           1HB      ARG  67 -12.066   9.305   0.488
  532    HG2  ARG  67           2HG      ARG  67 -13.047  11.527   0.425
  533    HG3  ARG  67           1HG      ARG  67 -12.140  11.890  -1.041
  534    HD2  ARG  67           2HD      ARG  67 -13.298  10.123  -2.228
  535    HD3  ARG  67           1HD      ARG  67 -14.150   9.662  -0.754
  536    HE   ARG  67           HE       ARG  67 -14.825  12.262  -1.041
  537   HH11  ARG  67          1HH1      ARG  67 -14.984   9.481  -3.188
  538   HH12  ARG  67          2HH1      ARG  67 -16.319  10.120  -4.099
  539   HH21  ARG  67          1HH2      ARG  67 -16.574  13.074  -2.231
  540   HH22  ARG  67          2HH2      ARG  67 -17.215  12.166  -3.567
  541    H    LYS  68           H        LYS  68 -11.518   9.554   2.811
  542    HA   LYS  68           HA       LYS  68 -11.445  11.960   4.436
  543    HB2  LYS  68           2HB      LYS  68 -13.820  11.662   5.152
  544    HB3  LYS  68           1HB      LYS  68 -13.617  12.212   3.500
  545    HG2  LYS  68           2HG      LYS  68 -14.063   9.938   2.694
  546    HG3  LYS  68           1HG      LYS  68 -14.286   9.405   4.363
  547    HD2  LYS  68           2HD      LYS  68 -16.172  10.880   4.636
  548    HD3  LYS  68           1HD      LYS  68 -15.902  11.584   3.043
  549    HE2  LYS  68           2HE      LYS  68 -17.710  10.060   2.827
  550    HE3  LYS  68           1HE      LYS  68 -16.308   9.303   2.074
  551    HZ1  LYS  68           3HZ      LYS  68 -17.435   8.693   4.755
  552    HZ2  LYS  68           1HZ      LYS  68 -15.988   8.044   4.163
  553    HZ3  LYS  68           2HZ      LYS  68 -17.449   7.690   3.389
  554    H    GLY  69           H        GLY  69 -10.783  11.539   6.391
  555    HA2  GLY  69           2HA      GLY  69 -11.471   9.709   8.227
  556    HA3  GLY  69           1HA      GLY  69 -10.387   8.779   7.199
  557    H    HIS  70           H        HIS  70  -8.545  10.719   6.525
  558    HA   HIS  70           HA       HIS  70  -7.635  12.173   8.818
  559    HB2  HIS  70           2HB      HIS  70  -5.506  11.047   9.135
  560    HB3  HIS  70           1HB      HIS  70  -6.809   9.894   9.376
  561    HD1  HIS  70           1HD      HIS  70  -3.834  10.593   7.286
  562    HD2  HIS  70           2HD      HIS  70  -6.995   7.889   7.357
  563    HE1  HIS  70           1HE      HIS  70  -3.156   8.717   5.751
  564    HE2  HIS  70           2HE      HIS  70  -4.983   6.994   5.990
  565    H    SER  71           H        SER  71  -8.460  12.904   6.336
  566    HA   SER  71           HA       SER  71  -6.322  13.027   4.429
  567    HB2  SER  71           2HB      SER  71  -8.846  14.651   4.302
  568    HB3  SER  71           1HB      SER  71  -7.933  13.909   2.985
  569    HG   SER  71           HG       SER  71  -9.696  12.628   3.296
  570    H    GLU  72           H        GLU  72  -5.121  14.800   3.826
  571    HA   GLU  72           HA       GLU  72  -5.023  17.026   5.687
  572    HB2  GLU  72           2HB      GLU  72  -3.081  15.718   4.246
  573    HB3  GLU  72           1HB      GLU  72  -3.342  17.159   3.276
  574    HG2  GLU  72           2HG      GLU  72  -2.527  17.022   6.162
  575    HG3  GLU  72           1HG      GLU  72  -1.562  17.583   4.799
  576    H    GLY  73           H        GLY  73  -6.882  18.194   5.315
  577    HA2  GLY  73           2HA      GLY  73  -7.026  19.585   2.743
  578    HA3  GLY  73           1HA      GLY  73  -8.432  18.662   3.250
  579    H    GLY  74           H        GLY  74  -6.429  21.432   3.902
  580    HA2  GLY  74           2HA      GLY  74  -8.428  23.171   4.556
  581    HA3  GLY  74           1HA      GLY  74  -8.015  22.407   6.086
  Start of MODEL   19
    1    H1   VAL   1           1HT      VAL   1  11.359  -2.261   3.895
    2    H2   VAL   1           2HT      VAL   1  11.278  -2.693   5.532
    3    H3   VAL   1           3HT      VAL   1  12.685  -1.978   4.919
    4    HA   VAL   1           HA       VAL   1  11.522   0.062   4.490
    5    HB   VAL   1           HB       VAL   1   9.320  -0.860   4.019
    6   HG11  VAL   1          2HG1      VAL   1   9.291  -2.645   5.687
    7   HG12  VAL   1          3HG1      VAL   1   7.835  -1.652   5.771
    8   HG13  VAL   1          1HG1      VAL   1   9.114  -1.445   6.968
    9   HG21  VAL   1          1HG2      VAL   1   9.427   1.479   4.655
   10   HG22  VAL   1          2HG2      VAL   1   9.259   1.043   6.356
   11   HG23  VAL   1          3HG2      VAL   1   7.928   0.750   5.234
   12    H    ASP   2           H        ASP   2  11.718   1.664   6.003
   13    HA   ASP   2           HA       ASP   2  12.541   0.876   8.678
   14    HB2  ASP   2           2HB      ASP   2  12.320   3.657   7.492
   15    HB3  ASP   2           1HB      ASP   2  13.158   3.210   8.975
   16    H    MET   3           H        MET   3  11.345   1.181  10.502
   17    HA   MET   3           HA       MET   3   8.512   1.435  10.053
   18    HB2  MET   3           2HB      MET   3  10.141   0.887  12.531
   19    HB3  MET   3           1HB      MET   3   8.383   0.955  12.521
   20    HG2  MET   3           2HG      MET   3  10.063  -0.921  10.881
   21    HG3  MET   3           1HG      MET   3   9.227  -1.332  12.379
   22    HE1  MET   3           3HE      MET   3   8.477  -3.334  10.498
   23    HE2  MET   3           1HE      MET   3   9.057  -2.399   9.119
   24    HE3  MET   3           2HE      MET   3   7.390  -2.973   9.154
   25    H    SER   4           H        SER   4  10.824   3.722  10.504
   26    HA   SER   4           HA       SER   4   9.434   5.320  12.476
   27    HB2  SER   4           2HB      SER   4  11.906   6.020  10.881
   28    HB3  SER   4           1HB      SER   4  11.349   6.776  12.375
   29    HG   SER   4           HG       SER   4  12.111   5.148  13.506
   30    H    ASN   5           H        ASN   5   9.879   5.215   8.997
   31    HA   ASN   5           HA       ASN   5   8.795   7.932   8.800
   32    HB2  ASN   5           2HB      ASN   5   9.803   7.906   6.490
   33    HB3  ASN   5           1HB      ASN   5  10.945   7.846   7.821
   34   HD21  ASN   5          1HD2      ASN   5   9.073   5.101   6.647
   35   HD22  ASN   5          2HD2      ASN   5  10.432   4.210   6.052
   36    H    VAL   6           H        VAL   6   7.702   4.932   8.693
   37    HA   VAL   6           HA       VAL   6   5.884   5.401   6.433
   38    HB   VAL   6           HB       VAL   6   7.146   3.318   6.335
   39   HG11  VAL   6          1HG1      VAL   6   5.746   2.572   8.894
   40   HG12  VAL   6          2HG1      VAL   6   7.469   2.898   8.699
   41   HG13  VAL   6          3HG1      VAL   6   6.743   1.499   7.909
   42   HG21  VAL   6          3HG2      VAL   6   4.978   3.346   5.293
   43   HG22  VAL   6          1HG2      VAL   6   4.199   2.935   6.822
   44   HG23  VAL   6          2HG2      VAL   6   5.250   1.765   6.025
   45    H    VAL   7           H        VAL   7   3.738   5.665   6.712
   46    HA   VAL   7           HA       VAL   7   2.724   5.638   9.466
   47    HB   VAL   7           HB       VAL   7   0.629   6.601   8.514
   48   HG11  VAL   7          1HG1      VAL   7   3.167   8.138   8.012
   49   HG12  VAL   7          2HG1      VAL   7   2.297   8.020   9.543
   50   HG13  VAL   7          3HG1      VAL   7   1.559   8.844   8.170
   51   HG21  VAL   7          3HG2      VAL   7   0.854   5.809   6.215
   52   HG22  VAL   7          1HG2      VAL   7   2.238   6.885   5.985
   53   HG23  VAL   7          2HG2      VAL   7   0.634   7.559   6.287
   54    H    LYS   8           H        LYS   8   2.409   3.888   6.505
   55    HA   LYS   8           HA       LYS   8   0.903   1.823   7.817
   56    HB2  LYS   8           2HB      LYS   8  -0.870   3.428   7.133
   57    HB3  LYS   8           1HB      LYS   8  -0.368   3.231   5.462
   58    HG2  LYS   8           2HG      LYS   8  -2.294   1.873   5.824
   59    HG3  LYS   8           1HG      LYS   8  -0.902   0.798   5.671
   60    HD2  LYS   8           2HD      LYS   8  -0.779   0.566   8.081
   61    HD3  LYS   8           1HD      LYS   8  -2.105   1.712   8.282
   62    HE2  LYS   8           2HE      LYS   8  -3.596   0.170   7.080
   63    HE3  LYS   8           1HE      LYS   8  -2.267  -0.981   6.925
   64    HZ1  LYS   8           3HZ      LYS   8  -3.392  -0.008   9.501
   65    HZ2  LYS   8           1HZ      LYS   8  -2.167  -1.169   9.314
   66    HZ3  LYS   8           2HZ      LYS   8  -3.743  -1.508   8.789
   67    H    THR   9           H        THR   9   1.249  -0.089   6.950
   68    HA   THR   9           HA       THR   9   2.518  -0.211   4.302
   69    HB   THR   9           HB       THR   9   3.208  -1.612   6.838
   70    HG1  THR   9           1HG      THR   9   4.581  -0.023   6.270
   71   HG21  THR   9          3HG2      THR   9   2.687  -3.482   5.358
   72   HG22  THR   9          1HG2      THR   9   4.426  -3.363   5.622
   73   HG23  THR   9          2HG2      THR   9   3.725  -2.790   4.110
   74    H    TYR  10           H        TYR  10   1.763  -1.682   2.873
   75    HA   TYR  10           HA       TYR  10  -0.695  -3.082   3.631
   76    HB2  TYR  10           2HB      TYR  10   0.149  -1.790   1.058
   77    HB3  TYR  10           1HB      TYR  10  -1.153  -2.986   1.116
   78    HD1  TYR  10           2HD      TYR  10  -2.603  -2.526   3.408
   79    HD2  TYR  10           1HD      TYR  10  -0.718   0.377   0.954
   80    HE1  TYR  10           2HE      TYR  10  -4.158  -0.858   4.233
   81    HE2  TYR  10           1HE      TYR  10  -2.283   2.093   1.775
   82    HH   TYR  10           HH       TYR  10  -4.357   2.347   2.809
   83    H    ASP  11           H        ASP  11  -0.804  -5.094   3.569
   84    HA   ASP  11           HA       ASP  11   1.524  -6.557   2.557
   85    HB2  ASP  11           2HB      ASP  11  -0.658  -7.339   4.493
   86    HB3  ASP  11           1HB      ASP  11   0.583  -8.442   3.921
   87    H    LEU  12           H        LEU  12   1.383  -7.468   0.693
   88    HA   LEU  12           HA       LEU  12  -1.214  -7.874  -0.584
   89    HB2  LEU  12           2HB      LEU  12   1.538  -8.525  -1.663
   90    HB3  LEU  12           1HB      LEU  12   0.038  -8.557  -2.571
   91    HG   LEU  12           HG       LEU  12   1.627  -6.197  -1.642
   92   HD11  LEU  12          1HD1      LEU  12   0.242  -6.816  -4.244
   93   HD12  LEU  12          2HD1      LEU  12   1.937  -7.151  -3.901
   94   HD13  LEU  12          3HD1      LEU  12   1.355  -5.486  -3.928
   95   HD21  LEU  12          3HD2      LEU  12  -0.264  -4.729  -2.180
   96   HD22  LEU  12          1HD2      LEU  12  -0.600  -5.757  -0.788
   97   HD23  LEU  12          2HD2      LEU  12  -1.302  -6.145  -2.358
   98    H    GLN  13           H        GLN  13  -1.960  -9.933  -1.312
   99    HA   GLN  13           HA       GLN  13  -1.786 -11.891   0.652
  100    HB2  GLN  13           2HB      GLN  13  -3.656 -11.480  -0.965
  101    HB3  GLN  13           1HB      GLN  13  -2.699 -12.296  -2.192
  102    HG2  GLN  13           2HG      GLN  13  -2.770 -14.348  -0.955
  103    HG3  GLN  13           1HG      GLN  13  -3.576 -13.548   0.396
  104   HE21  GLN  13          1HE2      GLN  13  -5.269 -11.933  -1.302
  105   HE22  GLN  13          2HE2      GLN  13  -6.468 -12.992  -1.966
  106    H    ASP  14           H        ASP  14   0.322 -11.372  -2.011
  107    HA   ASP  14           HA       ASP  14   1.270 -14.120  -2.086
  108    HB2  ASP  14           2HB      ASP  14   1.201 -13.012  -4.223
  109    HB3  ASP  14           1HB      ASP  14   2.092 -11.629  -3.597
  110    H    GLY  15           H        GLY  15   1.986 -11.084  -0.663
  111    HA2  GLY  15           2HA      GLY  15   3.363 -11.347   1.400
  112    HA3  GLY  15           1HA      GLY  15   4.526 -12.149   0.371
  113    H    SER  16           H        SER  16   3.649 -10.062  -1.752
  114    HA   SER  16           HA       SER  16   5.764  -8.275  -1.425
  115    HB2  SER  16           2HB      SER  16   3.355  -7.309  -2.864
  116    HB3  SER  16           1HB      SER  16   5.041  -7.311  -3.371
  117    HG   SER  16           HG       SER  16   4.841  -9.600  -3.668
  118    H    LYS  17           H        LYS  17   5.871  -6.205  -0.572
  119    HA   LYS  17           HA       LYS  17   3.642  -5.556   1.225
  120    HB2  LYS  17           2HB      LYS  17   5.488  -6.718   2.346
  121    HB3  LYS  17           1HB      LYS  17   6.617  -5.492   1.792
  122    HG2  LYS  17           2HG      LYS  17   5.401  -3.841   3.136
  123    HG3  LYS  17           1HG      LYS  17   4.315  -5.116   3.697
  124    HD2  LYS  17           2HD      LYS  17   7.305  -4.997   4.111
  125    HD3  LYS  17           1HD      LYS  17   6.070  -4.709   5.340
  126    HE2  LYS  17           2HE      LYS  17   6.377  -7.305   3.835
  127    HE3  LYS  17           1HE      LYS  17   7.110  -6.990   5.406
  128    HZ1  LYS  17           3HZ      LYS  17   4.909  -8.204   5.386
  129    HZ2  LYS  17           1HZ      LYS  17   4.185  -6.735   4.956
  130    HZ3  LYS  17           2HZ      LYS  17   5.018  -6.872   6.429
  131    H    VAL  18           H        VAL  18   2.919  -3.555   0.999
  132    HA   VAL  18           HA       VAL  18   4.591  -1.581  -0.430
  133    HB   VAL  18           HB       VAL  18   1.575  -1.649  -0.111
  134   HG11  VAL  18          1HG1      VAL  18   1.561   0.065  -1.866
  135   HG12  VAL  18          2HG1      VAL  18   3.324   0.070  -1.875
  136   HG13  VAL  18          3HG1      VAL  18   2.450   0.606  -0.441
  137   HG21  VAL  18          3HG2      VAL  18   2.366  -3.520  -1.477
  138   HG22  VAL  18          1HG2      VAL  18   3.243  -2.396  -2.516
  139   HG23  VAL  18          2HG2      VAL  18   1.481  -2.345  -2.450
  140    H    HIS  19           H        HIS  19   4.636   0.602   0.426
  141    HA   HIS  19           HA       HIS  19   3.343   0.936   3.026
  142    HB2  HIS  19           2HB      HIS  19   6.018   2.113   2.962
  143    HB3  HIS  19           1HB      HIS  19   5.207   1.228   4.238
  144    HD1  HIS  19           1HD      HIS  19   5.172  -1.542   3.661
  145    HD2  HIS  19           2HD      HIS  19   8.154   0.848   2.103
  146    HE1  HIS  19           1HE      HIS  19   7.009  -3.120   2.980
  147    HE2  HIS  19           2HE      HIS  19   8.887  -1.626   2.212
  148    H    VAL  20           H        VAL  20   2.550   2.877   3.393
  149    HA   VAL  20           HA       VAL  20   3.243   4.985   1.479
  150    HB   VAL  20           HB       VAL  20   0.855   4.575   1.539
  151   HG11  VAL  20          1HG1      VAL  20   1.014   5.129   4.485
  152   HG12  VAL  20          2HG1      VAL  20   0.630   3.588   3.720
  153   HG13  VAL  20          3HG1      VAL  20  -0.473   4.954   3.556
  154   HG21  VAL  20          3HG2      VAL  20   0.049   6.826   2.130
  155   HG22  VAL  20          1HG2      VAL  20   1.534   6.863   1.179
  156   HG23  VAL  20          2HG2      VAL  20   1.593   7.151   2.918
  157    H    PHE  21           H        PHE  21   4.344   6.664   2.140
  158    HA   PHE  21           HA       PHE  21   5.544   6.381   4.770
  159    HB2  PHE  21           2HB      PHE  21   6.318   7.710   2.198
  160    HB3  PHE  21           1HB      PHE  21   7.227   8.002   3.670
  161    HD1  PHE  21           1HD      PHE  21   6.290   5.460   1.140
  162    HD2  PHE  21           2HD      PHE  21   8.652   6.329   4.586
  163    HE1  PHE  21           1HE      PHE  21   7.609   3.428   0.756
  164    HE2  PHE  21           2HE      PHE  21   9.972   4.294   4.188
  165    HZ   PHE  21           HZ       PHE  21   9.452   2.841   2.276
  166    H    LYS  22           H        LYS  22   6.177   8.317   5.956
  167    HA   LYS  22           HA       LYS  22   3.949   9.978   6.512
  168    HB2  LYS  22           2HB      LYS  22   6.827   9.930   7.398
  169    HB3  LYS  22           1HB      LYS  22   5.743  11.216   7.914
  170    HG2  LYS  22           2HG      LYS  22   4.336   9.674   9.049
  171    HG3  LYS  22           1HG      LYS  22   5.183   8.296   8.347
  172    HD2  LYS  22           2HD      LYS  22   5.825   8.694  10.687
  173    HD3  LYS  22           1HD      LYS  22   7.186   8.860   9.580
  174    HE2  LYS  22           2HE      LYS  22   7.274  10.625  11.208
  175    HE3  LYS  22           1HE      LYS  22   6.883  11.312   9.634
  176    HZ1  LYS  22           3HZ      LYS  22   4.569  11.440  10.280
  177    HZ2  LYS  22           1HZ      LYS  22   5.538  12.258  11.404
  178    HZ3  LYS  22           2HZ      LYS  22   4.919  10.731  11.784
  179    H    ASP  23           H        ASP  23   6.567  10.229   4.332
  180    HA   ASP  23           HA       ASP  23   6.534  13.077   4.042
  181    HB2  ASP  23           2HB      ASP  23   8.622  11.847   3.789
  182    HB3  ASP  23           1HB      ASP  23   7.913  10.845   2.533
  183    H    GLY  24           H        GLY  24   4.617  10.579   3.153
  184    HA2  GLY  24           2HA      GLY  24   2.655  10.803   1.971
  185    HA3  GLY  24           1HA      GLY  24   3.332  12.201   1.165
  186    H    LYS  25           H        LYS  25   5.663   9.954   1.029
  187    HA   LYS  25           HA       LYS  25   4.977   9.168  -1.651
  188    HB2  LYS  25           2HB      LYS  25   7.261   8.412  -1.804
  189    HB3  LYS  25           1HB      LYS  25   7.147  10.066  -1.224
  190    HG2  LYS  25           2HG      LYS  25   7.266   9.044   1.097
  191    HG3  LYS  25           1HG      LYS  25   7.918   7.633   0.254
  192    HD2  LYS  25           2HD      LYS  25   9.666   8.903  -0.703
  193    HD3  LYS  25           1HD      LYS  25   8.925  10.413  -0.182
  194    HE2  LYS  25           2HE      LYS  25   9.272   9.599   2.193
  195    HE3  LYS  25           1HE      LYS  25  10.288   8.331   1.509
  196    HZ1  LYS  25           3HZ      LYS  25  11.757   9.973   0.610
  197    HZ2  LYS  25           1HZ      LYS  25  11.535  10.315   2.259
  198    HZ3  LYS  25           2HZ      LYS  25  10.731  11.235   1.087
  199    H    MET  26           H        MET  26   5.892   6.786  -2.143
  200    HA   MET  26           HA       MET  26   5.052   4.957  -0.034
  201    HB2  MET  26           2HB      MET  26   3.911   4.916  -2.832
  202    HB3  MET  26           1HB      MET  26   3.708   3.629  -1.656
  203    HG2  MET  26           2HG      MET  26   2.598   5.306  -0.155
  204    HG3  MET  26           1HG      MET  26   2.634   6.431  -1.513
  205    HE1  MET  26           3HE      MET  26   2.345   3.958  -3.751
  206    HE2  MET  26           1HE      MET  26   1.645   5.559  -4.000
  207    HE3  MET  26           2HE      MET  26   0.630   4.123  -4.137
  208    H    GLY  27           H        GLY  27   5.838   2.823  -0.302
  209    HA2  GLY  27           2HA      GLY  27   7.801   2.427  -2.447
  210    HA3  GLY  27           1HA      GLY  27   8.312   2.234  -0.777
  211    H    MET  28           H        MET  28   8.185   0.260  -2.994
  212    HA   MET  28           HA       MET  28   6.299  -1.630  -1.750
  213    HB2  MET  28           2HB      MET  28   5.657  -0.943  -4.052
  214    HB3  MET  28           1HB      MET  28   7.180  -1.597  -4.640
  215    HG2  MET  28           2HG      MET  28   6.526  -3.820  -3.889
  216    HG3  MET  28           1HG      MET  28   5.008  -3.170  -3.275
  217    HE1  MET  28           3HE      MET  28   3.791  -5.229  -6.342
  218    HE2  MET  28           1HE      MET  28   3.642  -4.949  -4.607
  219    HE3  MET  28           2HE      MET  28   5.120  -5.653  -5.263
  220    H    GLU  29           H        GLU  29   6.993  -3.598  -1.206
  221    HA   GLU  29           HA       GLU  29   9.714  -4.432  -1.980
  222    HB2  GLU  29           2HB      GLU  29   8.396  -4.544   0.745
  223    HB3  GLU  29           1HB      GLU  29   9.722  -5.617   0.313
  224    HG2  GLU  29           2HG      GLU  29  11.204  -3.783   0.002
  225    HG3  GLU  29           1HG      GLU  29   9.888  -2.621   0.177
  226    H    ASN  30           H        ASN  30   9.932  -6.766  -2.151
  227    HA   ASN  30           HA       ASN  30   7.409  -8.115  -2.694
  228    HB2  ASN  30           2HB      ASN  30   8.719  -9.845  -3.727
  229    HB3  ASN  30           1HB      ASN  30   9.392  -8.301  -4.240
  230   HD21  ASN  30          1HD2      ASN  30  10.739 -10.765  -4.319
  231   HD22  ASN  30          2HD2      ASN  30  12.094 -10.666  -3.243
  232    H    LYS  31           H        LYS  31   7.223 -10.444  -1.920
  233    HA   LYS  31           HA       LYS  31   7.149 -10.735   0.794
  234    HB2  LYS  31           2HB      LYS  31   6.989 -13.171   0.352
  235    HB3  LYS  31           1HB      LYS  31   5.926 -12.173  -0.621
  236    HG2  LYS  31           2HG      LYS  31   7.617 -12.331  -2.466
  237    HG3  LYS  31           1HG      LYS  31   8.449 -13.548  -1.489
  238    HD2  LYS  31           2HD      LYS  31   6.587 -15.012  -1.563
  239    HD3  LYS  31           1HD      LYS  31   5.536 -13.754  -2.218
  240    HE2  LYS  31           2HE      LYS  31   6.972 -13.734  -4.259
  241    HE3  LYS  31           1HE      LYS  31   7.838 -15.123  -3.602
  242    HZ1  LYS  31           3HZ      LYS  31   5.826 -16.403  -3.643
  243    HZ2  LYS  31           1HZ      LYS  31   6.078 -15.739  -5.183
  244    HZ3  LYS  31           2HZ      LYS  31   4.911 -15.062  -4.148
  245    H    PHE  32           H        PHE  32  10.023 -10.297  -0.622
  246    HA   PHE  32           HA       PHE  32  11.421 -12.067   1.272
  247    HB2  PHE  32           2HB      PHE  32  12.349 -11.032  -1.412
  248    HB3  PHE  32           1HB      PHE  32  13.399 -11.854  -0.262
  249    HD1  PHE  32           1HD      PHE  32  13.108 -14.237   0.205
  250    HD2  PHE  32           2HD      PHE  32  10.733 -12.233  -2.701
  251    HE1  PHE  32           1HE      PHE  32  12.426 -16.408  -0.726
  252    HE2  PHE  32           2HE      PHE  32  10.046 -14.400  -3.636
  253    HZ   PHE  32           HZ       PHE  32  10.893 -16.497  -2.642
  254    H    GLY  33           H        GLY  33  10.417  -9.004   0.857
  255    HA2  GLY  33           2HA      GLY  33  10.923  -7.164   2.170
  256    HA3  GLY  33           1HA      GLY  33  12.338  -8.019   2.767
  257    H    LYS  34           H        LYS  34  11.873  -7.889  -0.608
  258    HA   LYS  34           HA       LYS  34  14.156  -6.048  -0.801
  259    HB2  LYS  34           2HB      LYS  34  13.057  -7.954  -2.866
  260    HB3  LYS  34           1HB      LYS  34  14.500  -6.965  -3.043
  261    HG2  LYS  34           2HG      LYS  34  14.259  -8.834  -0.764
  262    HG3  LYS  34           1HG      LYS  34  14.716  -9.456  -2.350
  263    HD2  LYS  34           2HD      LYS  34  16.606  -7.903  -2.393
  264    HD3  LYS  34           1HD      LYS  34  16.126  -7.268  -0.818
  265    HE2  LYS  34           2HE      LYS  34  16.506  -9.424   0.208
  266    HE3  LYS  34           1HE      LYS  34  16.875 -10.138  -1.358
  267    HZ1  LYS  34           3HZ      LYS  34  18.818  -8.745  -1.526
  268    HZ2  LYS  34           1HZ      LYS  34  18.870  -9.622  -0.075
  269    HZ3  LYS  34           2HZ      LYS  34  18.446  -7.980  -0.057
  270    H    SER  35           H        SER  35  14.038  -4.218  -1.739
  271    HA   SER  35           HA       SER  35  11.512  -3.022  -2.208
  272    HB2  SER  35           2HB      SER  35  13.387  -1.732  -1.322
  273    HB3  SER  35           1HB      SER  35  14.282  -1.972  -2.821
  274    HG   SER  35           HG       SER  35  13.259  -0.334  -3.624
  275    H    MET  36           H        MET  36  10.409  -2.654  -4.022
  276    HA   MET  36           HA       MET  36  11.665  -3.123  -6.613
  277    HB2  MET  36           2HB      MET  36   9.739  -4.569  -7.311
  278    HB3  MET  36           1HB      MET  36  10.800  -5.307  -6.121
  279    HG2  MET  36           2HG      MET  36   9.219  -4.804  -4.358
  280    HG3  MET  36           1HG      MET  36   8.170  -3.979  -5.511
  281    HE1  MET  36           3HE      MET  36   6.881  -6.871  -7.750
  282    HE2  MET  36           1HE      MET  36   8.183  -5.715  -8.035
  283    HE3  MET  36           2HE      MET  36   6.674  -5.180  -7.295
  284    H    ASN  37           H        ASN  37  10.332  -2.367  -8.400
  285    HA   ASN  37           HA       ASN  37   9.022   0.101  -7.758
  286    HB2  ASN  37           2HB      ASN  37   8.812   0.401 -10.164
  287    HB3  ASN  37           1HB      ASN  37  10.431  -0.171  -9.780
  288   HD21  ASN  37          1HD2      ASN  37  11.013  -2.298 -10.310
  289   HD22  ASN  37          2HD2      ASN  37  10.118  -3.209 -11.486
  290    H    MET  38           H        MET  38   6.864   0.663  -8.188
  291    HA   MET  38           HA       MET  38   5.045  -1.644  -8.002
  292    HB2  MET  38           2HB      MET  38   5.171  -0.215  -5.976
  293    HB3  MET  38           1HB      MET  38   4.646   1.159  -6.939
  294    HG2  MET  38           2HG      MET  38   2.519   0.125  -7.348
  295    HG3  MET  38           1HG      MET  38   3.041  -1.350  -6.539
  296    HE1  MET  38           3HE      MET  38   0.881  -1.319  -5.018
  297    HE2  MET  38           1HE      MET  38   0.331   0.148  -5.831
  298    HE3  MET  38           2HE      MET  38   0.367   0.074  -4.069
  299    HA   PRO  39           HA       PRO  39   3.381  -0.171 -11.848
  300    HB2  PRO  39           2HB      PRO  39   1.418  -1.983 -12.120
  301    HB3  PRO  39           1HB      PRO  39   3.122  -2.417 -12.298
  302    HG2  PRO  39           2HG      PRO  39   1.305  -2.799  -9.953
  303    HG3  PRO  39           1HG      PRO  39   2.492  -3.920 -10.642
  304    HD2  PRO  39           2HD      PRO  39   2.956  -2.376  -8.430
  305    HD3  PRO  39           1HD      PRO  39   4.234  -2.952  -9.518
  306    H    GLU  40           H        GLU  40   1.441   0.760 -12.715
  307    HA   GLU  40           HA       GLU  40  -0.481   1.630 -10.647
  308    HB2  GLU  40           2HB      GLU  40   0.948   3.480 -11.420
  309    HB3  GLU  40           1HB      GLU  40   0.464   3.161 -13.081
  310    HG2  GLU  40           2HG      GLU  40  -1.889   3.632 -12.402
  311    HG3  GLU  40           1HG      GLU  40  -1.273   4.143 -10.833
  312    H    GLY  41           H        GLY  41  -2.671   1.654 -11.180
  313    HA2  GLY  41           2HA      GLY  41  -4.511   1.560 -12.633
  314    HA3  GLY  41           1HA      GLY  41  -3.441   1.043 -13.923
  315    H    LYS  42           H        LYS  42  -2.745  -0.755 -11.230
  316    HA   LYS  42           HA       LYS  42  -4.478  -2.945 -12.161
  317    HB2  LYS  42           2HB      LYS  42  -1.787  -3.012 -10.799
  318    HB3  LYS  42           1HB      LYS  42  -2.763  -4.435 -11.132
  319    HG2  LYS  42           2HG      LYS  42  -2.590  -4.027 -13.517
  320    HG3  LYS  42           1HG      LYS  42  -1.682  -2.546 -13.214
  321    HD2  LYS  42           2HD      LYS  42  -0.186  -4.371 -13.829
  322    HD3  LYS  42           1HD      LYS  42   0.104  -3.853 -12.171
  323    HE2  LYS  42           2HE      LYS  42   0.145  -6.280 -12.341
  324    HE3  LYS  42           1HE      LYS  42  -1.205  -5.742 -11.343
  325    HZ1  LYS  42           3HZ      LYS  42  -1.474  -6.416 -14.221
  326    HZ2  LYS  42           1HZ      LYS  42  -2.720  -6.168 -13.096
  327    HZ3  LYS  42           2HZ      LYS  42  -1.728  -7.540 -12.978
  328    H    VAL  43           H        VAL  43  -5.799  -3.948 -10.734
  329    HA   VAL  43           HA       VAL  43  -5.849  -2.990  -7.992
  330    HB   VAL  43           HB       VAL  43  -7.628  -5.035  -9.337
  331   HG11  VAL  43          1HG1      VAL  43  -9.113  -4.697  -7.405
  332   HG12  VAL  43          2HG1      VAL  43  -7.897  -3.654  -6.665
  333   HG13  VAL  43          3HG1      VAL  43  -7.551  -5.364  -6.929
  334   HG21  VAL  43          3HG2      VAL  43  -8.128  -2.127  -8.709
  335   HG22  VAL  43          1HG2      VAL  43  -9.302  -3.254  -9.389
  336   HG23  VAL  43          2HG2      VAL  43  -7.869  -2.809 -10.314
  337    H    MET  44           H        MET  44  -4.746  -3.913  -6.442
  338    HA   MET  44           HA       MET  44  -3.794  -6.678  -6.787
  339    HB2  MET  44           2HB      MET  44  -2.673  -4.331  -5.272
  340    HB3  MET  44           1HB      MET  44  -2.219  -5.975  -4.849
  341    HG2  MET  44           2HG      MET  44  -0.532  -5.198  -6.260
  342    HG3  MET  44           1HG      MET  44  -1.521  -6.263  -7.252
  343    HE1  MET  44           3HE      MET  44  -0.596  -2.544  -6.412
  344    HE2  MET  44           1HE      MET  44  -2.338  -2.578  -6.132
  345    HE3  MET  44           2HE      MET  44  -1.680  -1.658  -7.484
  346    H    GLU  45           H        GLU  45  -4.017  -8.141  -5.062
  347    HA   GLU  45           HA       GLU  45  -5.938  -7.255  -3.039
  348    HB2  GLU  45           2HB      GLU  45  -5.534  -9.893  -4.373
  349    HB3  GLU  45           1HB      GLU  45  -6.255  -9.833  -2.767
  350    HG2  GLU  45           2HG      GLU  45  -7.991  -8.359  -3.561
  351    HG3  GLU  45           1HG      GLU  45  -7.259  -8.319  -5.166
  352    H    THR  46           H        THR  46  -5.789  -7.916  -0.982
  353    HA   THR  46           HA       THR  46  -3.010  -8.064  -0.030
  354    HB   THR  46           HB       THR  46  -3.816  -7.184   2.077
  355    HG1  THR  46           1HG      THR  46  -6.292  -6.556   1.771
  356   HG21  THR  46          3HG2      THR  46  -4.654  -5.010   1.377
  357   HG22  THR  46          1HG2      THR  46  -5.107  -5.670  -0.197
  358   HG23  THR  46          2HG2      THR  46  -3.406  -5.562   0.259
  359    H    ARG  47           H        ARG  47  -2.626  -9.381   2.003
  360    HA   ARG  47           HA       ARG  47  -3.629 -11.977   1.979
  361    HB2  ARG  47           2HB      ARG  47  -2.963 -11.928   4.445
  362    HB3  ARG  47           1HB      ARG  47  -1.702 -11.676   3.247
  363    HG2  ARG  47           2HG      ARG  47  -1.549  -9.405   3.763
  364    HG3  ARG  47           1HG      ARG  47  -3.110  -9.401   4.594
  365    HD2  ARG  47           2HD      ARG  47  -2.196 -10.853   6.323
  366    HD3  ARG  47           1HD      ARG  47  -0.645 -10.878   5.491
  367    HE   ARG  47           HE       ARG  47  -0.460  -8.488   5.987
  368   HH11  ARG  47          1HH1      ARG  47  -2.814 -10.327   7.808
  369   HH12  ARG  47          2HH1      ARG  47  -2.762  -9.273   9.189
  370   HH21  ARG  47          1HH2      ARG  47  -0.380  -7.093   7.772
  371   HH22  ARG  47          2HH2      ARG  47  -1.373  -7.415   9.168
  372    H    ASP  48           H        ASP  48  -5.004  -9.109   3.015
  373    HA   ASP  48           HA       ASP  48  -6.691 -10.216   5.072
  374    HB2  ASP  48           2HB      ASP  48  -5.624  -8.086   5.379
  375    HB3  ASP  48           1HB      ASP  48  -6.346  -7.457   3.900
  376    H    GLY  49           H        GLY  49  -6.821  -9.767   1.715
  377    HA2  GLY  49           2HA      GLY  49  -8.524 -10.617   0.341
  378    HA3  GLY  49           1HA      GLY  49  -9.618 -10.592   1.718
  379    H    THR  50           H        THR  50  -7.780  -7.767   1.238
  380    HA   THR  50           HA       THR  50 -10.157  -6.400   0.219
  381    HB   THR  50           HB       THR  50  -8.491  -4.372   0.881
  382    HG1  THR  50           1HG      THR  50  -8.045  -6.001   3.097
  383   HG21  THR  50          3HG2      THR  50 -10.294  -5.869   2.783
  384   HG22  THR  50          1HG2      THR  50 -10.800  -4.636   1.630
  385   HG23  THR  50          2HG2      THR  50  -9.749  -4.203   2.977
  386    H    LYS  51           H        LYS  51  -9.860  -4.766  -1.413
  387    HA   LYS  51           HA       LYS  51  -7.778  -5.596  -3.330
  388    HB2  LYS  51           2HB      LYS  51 -10.532  -4.484  -3.922
  389    HB3  LYS  51           1HB      LYS  51  -9.368  -5.076  -5.104
  390    HG2  LYS  51           2HG      LYS  51  -9.601  -7.312  -4.340
  391    HG3  LYS  51           1HG      LYS  51 -10.528  -6.798  -2.929
  392    HD2  LYS  51           2HD      LYS  51 -12.278  -5.941  -4.513
  393    HD3  LYS  51           1HD      LYS  51 -11.378  -6.717  -5.820
  394    HE2  LYS  51           2HE      LYS  51 -12.415  -8.164  -3.385
  395    HE3  LYS  51           1HE      LYS  51 -13.288  -8.063  -4.913
  396    HZ1  LYS  51           3HZ      LYS  51 -12.028 -10.133  -4.671
  397    HZ2  LYS  51           1HZ      LYS  51 -10.582  -9.255  -4.586
  398    HZ3  LYS  51           2HZ      LYS  51 -11.512  -9.229  -6.006
  399    H    ILE  52           H        ILE  52  -6.462  -4.062  -4.131
  400    HA   ILE  52           HA       ILE  52  -6.980  -1.253  -3.358
  401    HB   ILE  52           HB       ILE  52  -4.878  -1.022  -2.382
  402   HG12  ILE  52          2HG1      ILE  52  -3.951  -3.539  -3.805
  403   HG13  ILE  52          1HG1      ILE  52  -3.564  -1.892  -4.291
  404   HG21  ILE  52          1HG2      ILE  52  -4.656  -2.700  -0.751
  405   HG22  ILE  52          2HG2      ILE  52  -5.239  -3.952  -1.842
  406   HG23  ILE  52          3HG2      ILE  52  -6.358  -2.746  -1.218
  407   HD11  ILE  52          3HD1      ILE  52  -2.730  -3.212  -1.712
  408   HD12  ILE  52          1HD1      ILE  52  -2.343  -1.563  -2.199
  409   HD13  ILE  52          2HD1      ILE  52  -1.703  -2.925  -3.117
  410    H    ILE  53           H        ILE  53  -5.593   0.278  -4.645
  411    HA   ILE  53           HA       ILE  53  -4.008  -0.689  -6.819
  412    HB   ILE  53           HB       ILE  53  -5.870  -1.082  -8.124
  413   HG12  ILE  53          2HG1      ILE  53  -4.223   0.786  -9.044
  414   HG13  ILE  53          1HG1      ILE  53  -5.634   0.268  -9.954
  415   HG21  ILE  53          1HG2      ILE  53  -7.136   1.408  -6.996
  416   HG22  ILE  53          2HG2      ILE  53  -7.589  -0.269  -6.682
  417   HG23  ILE  53          3HG2      ILE  53  -7.835   0.426  -8.286
  418   HD11  ILE  53          3HD1      ILE  53  -6.866   2.218  -9.141
  419   HD12  ILE  53          1HD1      ILE  53  -5.397   2.680 -10.000
  420   HD13  ILE  53          2HD1      ILE  53  -5.443   2.736  -8.238
  421    H    MET  54           H        MET  54  -2.719   0.863  -7.767
  422    HA   MET  54           HA       MET  54  -2.550   3.367  -6.222
  423    HB2  MET  54           2HB      MET  54  -0.566   1.953  -6.114
  424    HB3  MET  54           1HB      MET  54  -0.495   1.866  -7.869
  425    HG2  MET  54           2HG      MET  54  -0.119   4.326  -7.905
  426    HG3  MET  54           1HG      MET  54  -0.021   4.284  -6.145
  427    HE1  MET  54           3HE      MET  54   2.314   5.488  -7.964
  428    HE2  MET  54           1HE      MET  54   3.722   4.805  -7.151
  429    HE3  MET  54           2HE      MET  54   2.364   5.415  -6.202
  430    H    LYS  55           H        LYS  55  -2.791   5.289  -7.196
  431    HA   LYS  55           HA       LYS  55  -2.453   5.495 -10.081
  432    HB2  LYS  55           2HB      LYS  55  -4.928   5.046  -9.460
  433    HB3  LYS  55           1HB      LYS  55  -4.919   6.688  -8.829
  434    HG2  LYS  55           2HG      LYS  55  -5.777   6.811 -11.026
  435    HG3  LYS  55           1HG      LYS  55  -4.129   7.444 -11.094
  436    HD2  LYS  55           2HD      LYS  55  -3.371   5.184 -11.836
  437    HD3  LYS  55           1HD      LYS  55  -5.063   4.697 -11.927
  438    HE2  LYS  55           2HE      LYS  55  -4.408   5.307 -14.122
  439    HE3  LYS  55           1HE      LYS  55  -5.418   6.614 -13.513
  440    HZ1  LYS  55           3HZ      LYS  55  -2.448   6.600 -13.691
  441    HZ2  LYS  55           1HZ      LYS  55  -3.359   7.836 -12.963
  442    HZ3  LYS  55           2HZ      LYS  55  -3.523   7.527 -14.620
  443    H    GLY  56           H        GLY  56  -1.167   7.194 -10.436
  444    HA2  GLY  56           2HA      GLY  56  -0.160   9.239 -10.216
  445    HA3  GLY  56           1HA      GLY  56  -1.668   9.784  -9.508
  446    H    ASN  57           H        ASN  57   0.890   7.537  -8.429
  447    HA   ASN  57           HA       ASN  57   2.259   7.532  -6.615
  448    HB2  ASN  57           2HB      ASN  57   2.890   9.791  -7.172
  449    HB3  ASN  57           1HB      ASN  57   1.438  10.434  -6.419
  450   HD21  ASN  57          1HD2      ASN  57   1.374  10.724  -4.242
  451   HD22  ASN  57          2HD2      ASN  57   2.750  10.525  -3.213
  452    H    GLU  58           H        GLU  58  -1.020   8.184  -6.377
  453    HA   GLU  58           HA       GLU  58  -1.077   7.787  -3.470
  454    HB2  GLU  58           2HB      GLU  58  -3.270   8.507  -5.414
  455    HB3  GLU  58           1HB      GLU  58  -3.552   8.167  -3.713
  456    HG2  GLU  58           2HG      GLU  58  -1.952  10.016  -3.172
  457    HG3  GLU  58           1HG      GLU  58  -1.944  10.417  -4.887
  458    H    ILE  59           H        ILE  59  -2.215   6.082  -2.516
  459    HA   ILE  59           HA       ILE  59  -2.730   3.851  -4.357
  460    HB   ILE  59           HB       ILE  59  -0.792   3.851  -2.455
  461   HG12  ILE  59          2HG1      ILE  59  -1.174   2.191  -4.260
  462   HG13  ILE  59          1HG1      ILE  59  -0.672   1.462  -2.740
  463   HG21  ILE  59          1HG2      ILE  59  -1.519   2.379  -0.606
  464   HG22  ILE  59          2HG2      ILE  59  -3.190   2.609  -1.124
  465   HG23  ILE  59          3HG2      ILE  59  -2.246   3.985  -0.552
  466   HD11  ILE  59          3HD1      ILE  59  -3.486   1.568  -3.793
  467   HD12  ILE  59          1HD1      ILE  59  -2.965   0.804  -2.291
  468   HD13  ILE  59          2HD1      ILE  59  -2.411   0.171  -3.842
  469    H    PHE  60           H        PHE  60  -4.751   3.251  -4.469
  470    HA   PHE  60           HA       PHE  60  -6.640   3.989  -2.406
  471    HB2  PHE  60           2HB      PHE  60  -7.827   4.113  -4.347
  472    HB3  PHE  60           1HB      PHE  60  -6.811   2.932  -5.163
  473    HD1  PHE  60           2HD      PHE  60  -9.710   3.443  -3.057
  474    HD2  PHE  60           1HD      PHE  60  -7.371   0.533  -5.073
  475    HE1  PHE  60           2HE      PHE  60 -11.512   1.819  -2.758
  476    HE2  PHE  60           1HE      PHE  60  -9.190  -1.115  -4.788
  477    HZ   PHE  60           HZ       PHE  60 -11.071  -0.667  -3.656
  478    H    ARG  61           H        ARG  61  -7.162   2.808  -0.843
  479    HA   ARG  61           HA       ARG  61  -7.464  -0.019  -0.992
  480    HB2  ARG  61           2HB      ARG  61  -5.016   0.274  -0.275
  481    HB3  ARG  61           1HB      ARG  61  -5.620   1.072   1.169
  482    HG2  ARG  61           2HG      ARG  61  -6.347  -1.741   0.401
  483    HG3  ARG  61           1HG      ARG  61  -4.993  -1.341   1.446
  484    HD2  ARG  61           2HD      ARG  61  -7.889  -0.682   1.972
  485    HD3  ARG  61           1HD      ARG  61  -6.990  -2.010   2.703
  486    HE   ARG  61           HE       ARG  61  -5.784   0.568   3.122
  487   HH11  ARG  61          1HH1      ARG  61  -8.144  -1.718   4.315
  488   HH12  ARG  61          2HH1      ARG  61  -8.101  -1.120   5.945
  489   HH21  ARG  61          1HH2      ARG  61  -5.701   1.353   5.252
  490   HH22  ARG  61          2HH2      ARG  61  -6.707   0.633   6.480
  491    H    LEU  62           H        LEU  62  -9.709   0.338  -0.412
  492    HA   LEU  62           HA       LEU  62 -11.374   0.718   1.041
  493    HB2  LEU  62           2HB      LEU  62  -9.093   1.053   2.828
  494    HB3  LEU  62           1HB      LEU  62 -10.450   2.080   3.251
  495    HG   LEU  62           HG       LEU  62 -10.504  -0.027   4.469
  496   HD11  LEU  62          1HD1      LEU  62 -12.606   1.066   3.965
  497   HD12  LEU  62          2HD1      LEU  62 -12.810  -0.684   3.873
  498   HD13  LEU  62          3HD1      LEU  62 -12.678   0.270   2.393
  499   HD21  LEU  62          3HD2      LEU  62 -10.899  -2.137   3.281
  500   HD22  LEU  62          1HD2      LEU  62  -9.357  -1.421   2.806
  501   HD23  LEU  62          2HD2      LEU  62 -10.752  -1.298   1.734
  502    H    ASP  63           H        ASP  63  -8.935   3.274   1.154
  503    HA   ASP  63           HA       ASP  63  -8.974   5.449   0.573
  504    HB2  ASP  63           2HB      ASP  63 -10.175   4.889  -1.445
  505    HB3  ASP  63           1HB      ASP  63 -11.692   4.819  -0.555
  506    H    GLU  64           H        GLU  64 -12.066   4.428   1.864
  507    HA   GLU  64           HA       GLU  64 -12.557   6.810   3.325
  508    HB2  GLU  64           2HB      GLU  64 -14.343   5.254   2.679
  509    HB3  GLU  64           1HB      GLU  64 -13.653   4.016   3.720
  510    HG2  GLU  64           2HG      GLU  64 -14.146   5.310   5.676
  511    HG3  GLU  64           1HG      GLU  64 -14.683   6.668   4.688
  512    H    ALA  65           H        ALA  65 -10.668   3.974   3.934
  513    HA   ALA  65           HA       ALA  65 -10.478   3.973   6.715
  514    HB1  ALA  65           1HB      ALA  65  -9.546   2.195   5.275
  515    HB2  ALA  65           2HB      ALA  65  -8.354   2.813   6.429
  516    HB3  ALA  65           3HB      ALA  65  -8.284   3.317   4.742
  517    H    LEU  66           H        LEU  66  -8.123   5.376   4.468
  518    HA   LEU  66           HA       LEU  66  -7.081   7.043   6.596
  519    HB2  LEU  66           2HB      LEU  66  -5.158   7.405   5.229
  520    HB3  LEU  66           1HB      LEU  66  -5.508   5.697   5.293
  521    HG   LEU  66           HG       LEU  66  -4.776   6.161   3.101
  522   HD11  LEU  66          1HD1      LEU  66  -7.769   6.100   2.845
  523   HD12  LEU  66          2HD1      LEU  66  -6.758   4.692   3.182
  524   HD13  LEU  66          3HD1      LEU  66  -6.580   5.564   1.660
  525   HD21  LEU  66          3HD2      LEU  66  -5.926   7.893   1.687
  526   HD22  LEU  66          1HD2      LEU  66  -4.898   8.492   2.992
  527   HD23  LEU  66          2HD2      LEU  66  -6.649   8.481   3.191
  528    H    ARG  67           H        ARG  67  -9.166   7.254   3.984
  529    HA   ARG  67           HA       ARG  67 -10.178   8.920   2.841
  530    HB2  ARG  67           2HB      ARG  67 -11.106   8.873   5.216
  531    HB3  ARG  67           1HB      ARG  67 -10.198  10.351   5.478
  532    HG2  ARG  67           2HG      ARG  67 -11.426  11.477   3.783
  533    HG3  ARG  67           1HG      ARG  67 -12.225   9.984   3.293
  534    HD2  ARG  67           2HD      ARG  67 -13.181   9.857   5.602
  535    HD3  ARG  67           1HD      ARG  67 -12.539  11.475   5.886
  536    HE   ARG  67           HE       ARG  67 -14.174  11.311   3.531
  537   HH11  ARG  67          1HH1      ARG  67 -14.220  11.716   7.019
  538   HH12  ARG  67          2HH1      ARG  67 -15.777  12.489   7.025
  539   HH21  ARG  67          1HH2      ARG  67 -16.204  12.340   3.545
  540   HH22  ARG  67          2HH2      ARG  67 -16.910  12.835   5.058
  541    H    LYS  68           H        LYS  68  -8.409   9.504   1.543
  542    HA   LYS  68           HA       LYS  68  -6.829  10.855   0.648
  543    HB2  LYS  68           2HB      LYS  68  -7.569  13.136   0.256
  544    HB3  LYS  68           1HB      LYS  68  -8.858  11.980  -0.021
  545    HG2  LYS  68           2HG      LYS  68  -9.773  12.554   2.214
  546    HG3  LYS  68           1HG      LYS  68  -8.534  13.803   2.352
  547    HD2  LYS  68           2HD      LYS  68  -9.408  14.810   0.248
  548    HD3  LYS  68           1HD      LYS  68 -10.718  13.630   0.282
  549    HE2  LYS  68           2HE      LYS  68 -10.130  15.761   2.328
  550    HE3  LYS  68           1HE      LYS  68 -11.499  15.703   1.217
  551    HZ1  LYS  68           3HZ      LYS  68 -10.967  13.940   3.546
  552    HZ2  LYS  68           1HZ      LYS  68 -12.127  13.566   2.361
  553    HZ3  LYS  68           2HZ      LYS  68 -12.285  14.975   3.293
  554    H    GLY  69           H        GLY  69  -5.896  10.171   3.030
  555    HA2  GLY  69           2HA      GLY  69  -4.889  12.454   4.469
  556    HA3  GLY  69           1HA      GLY  69  -4.374  10.782   4.668
  557    H    HIS  70           H        HIS  70  -4.309  13.293   2.181
  558    HA   HIS  70           HA       HIS  70  -1.868  12.178   1.081
  559    HB2  HIS  70           2HB      HIS  70  -3.800  12.905  -0.351
  560    HB3  HIS  70           1HB      HIS  70  -3.473  14.563   0.140
  561    HD1  HIS  70           1HD      HIS  70  -1.931  15.823  -1.322
  562    HD2  HIS  70           2HD      HIS  70  -1.500  11.714  -1.773
  563    HE1  HIS  70           1HE      HIS  70  -0.318  15.518  -3.224
  564    HE2  HIS  70           2HE      HIS  70  -0.256  13.025  -3.622
  565    H    SER  71           H        SER  71   0.023  12.806   1.773
  566    HA   SER  71           HA       SER  71   1.773  14.051   2.488
  567    HB2  SER  71           2HB      SER  71  -0.019  16.470   2.168
  568    HB3  SER  71           1HB      SER  71   1.735  16.481   2.364
  569    HG   SER  71           HG       SER  71   0.415  16.379   0.119
  570    H    GLU  72           H        GLU  72   2.493  15.322   4.385
  571    HA   GLU  72           HA       GLU  72   0.587  15.024   6.620
  572    HB2  GLU  72           2HB      GLU  72   2.334  13.280   6.643
  573    HB3  GLU  72           1HB      GLU  72   3.572  14.527   6.645
  574    HG2  GLU  72           2HG      GLU  72   2.609  15.339   8.811
  575    HG3  GLU  72           1HG      GLU  72   1.600  13.892   8.819
  576    H    GLY  73           H        GLY  73   0.571  16.655   8.159
  577    HA2  GLY  73           2HA      GLY  73   1.911  18.447   9.225
  578    HA3  GLY  73           1HA      GLY  73   2.364  18.931   7.600
  579    H    GLY  74           H        GLY  74   1.572  20.994   7.773
  580    HA2  GLY  74           2HA      GLY  74  -0.927  21.609   6.903
  581    HA3  GLY  74           1HA      GLY  74  -1.116  21.511   8.651
  Start of MODEL   20
    1    H1   VAL   1           1HT      VAL   1  14.302  -0.047   4.148
    2    H2   VAL   1           2HT      VAL   1  14.667   1.396   3.341
    3    H3   VAL   1           3HT      VAL   1  14.367  -0.019   2.456
    4    HA   VAL   1           HA       VAL   1  12.502   1.542   2.424
    5    HB   VAL   1           HB       VAL   1  12.134  -0.890   2.139
    6   HG11  VAL   1          2HG1      VAL   1  11.223  -2.211   4.001
    7   HG12  VAL   1          3HG1      VAL   1  11.592  -0.881   5.098
    8   HG13  VAL   1          1HG1      VAL   1  12.897  -1.722   4.262
    9   HG21  VAL   1          1HG2      VAL   1  10.254   0.634   1.909
   10   HG22  VAL   1          2HG2      VAL   1   9.931   0.521   3.640
   11   HG23  VAL   1          3HG2      VAL   1   9.728  -0.897   2.609
   12    H    ASP   2           H        ASP   2  13.518   0.465   5.604
   13    HA   ASP   2           HA       ASP   2  13.359   1.376   7.656
   14    HB2  ASP   2           2HB      ASP   2  12.796   3.848   6.030
   15    HB3  ASP   2           1HB      ASP   2  13.011   3.866   7.779
   16    H    MET   3           H        MET   3  11.754   0.481   8.775
   17    HA   MET   3           HA       MET   3   9.008   0.867   8.110
   18    HB2  MET   3           2HB      MET   3  10.307  -0.333  10.557
   19    HB3  MET   3           1HB      MET   3   8.575  -0.365  10.239
   20    HG2  MET   3           2HG      MET   3  10.726  -1.603   8.537
   21    HG3  MET   3           1HG      MET   3   9.594  -2.457   9.588
   22    HE1  MET   3           3HE      MET   3   8.788  -2.995   5.632
   23    HE2  MET   3           1HE      MET   3   9.542  -3.763   7.031
   24    HE3  MET   3           2HE      MET   3  10.336  -2.405   6.233
   25    H    SER   4           H        SER   4  11.071   3.010   9.399
   26    HA   SER   4           HA       SER   4   9.336   4.080  11.465
   27    HB2  SER   4           2HB      SER   4  11.980   5.106  10.408
   28    HB3  SER   4           1HB      SER   4  11.139   5.692  11.845
   29    HG   SER   4           HG       SER   4  12.380   4.235  12.764
   30    H    ASN   5           H        ASN   5  10.315   4.811   8.155
   31    HA   ASN   5           HA       ASN   5   8.916   7.372   8.269
   32    HB2  ASN   5           2HB      ASN   5   9.975   7.966   6.271
   33    HB3  ASN   5           1HB      ASN   5  11.184   7.015   7.094
   34   HD21  ASN   5          1HD2      ASN   5   9.732   4.476   6.385
   35   HD22  ASN   5          2HD2      ASN   5  10.143   4.222   4.728
   36    H    VAL   6           H        VAL   6   7.877   4.543   8.224
   37    HA   VAL   6           HA       VAL   6   6.117   4.693   5.900
   38    HB   VAL   6           HB       VAL   6   7.039   2.322   7.534
   39   HG11  VAL   6          1HG1      VAL   6   4.705   2.026   7.026
   40   HG12  VAL   6          2HG1      VAL   6   5.662   0.980   5.977
   41   HG13  VAL   6          3HG1      VAL   6   4.982   2.480   5.348
   42   HG21  VAL   6          3HG2      VAL   6   7.386   3.034   4.624
   43   HG22  VAL   6          1HG2      VAL   6   7.916   1.531   5.378
   44   HG23  VAL   6          2HG2      VAL   6   8.638   3.065   5.866
   45    H    VAL   7           H        VAL   7   4.281   5.586   6.463
   46    HA   VAL   7           HA       VAL   7   3.468   5.479   9.230
   47    HB   VAL   7           HB       VAL   7   3.440   7.595   7.974
   48   HG11  VAL   7          1HG1      VAL   7   2.765   6.957   5.803
   49   HG12  VAL   7          2HG1      VAL   7   1.518   8.029   6.446
   50   HG13  VAL   7          3HG1      VAL   7   1.243   6.285   6.399
   51   HG21  VAL   7          3HG2      VAL   7   0.756   6.718   8.991
   52   HG22  VAL   7          1HG2      VAL   7   1.344   8.378   8.869
   53   HG23  VAL   7          2HG2      VAL   7   2.124   7.244   9.976
   54    H    LYS   8           H        LYS   8   2.808   3.763   6.390
   55    HA   LYS   8           HA       LYS   8   1.205   1.935   7.889
   56    HB2  LYS   8           2HB      LYS   8  -0.541   3.562   7.181
   57    HB3  LYS   8           1HB      LYS   8  -0.115   3.256   5.503
   58    HG2  LYS   8           2HG      LYS   8  -2.114   2.016   6.217
   59    HG3  LYS   8           1HG      LYS   8  -0.802   0.946   5.715
   60    HD2  LYS   8           2HD      LYS   8  -0.167   0.677   8.091
   61    HD3  LYS   8           1HD      LYS   8  -1.569   1.647   8.545
   62    HE2  LYS   8           2HE      LYS   8  -3.073   0.014   7.717
   63    HE3  LYS   8           1HE      LYS   8  -1.771  -0.878   6.924
   64    HZ1  LYS   8           3HZ      LYS   8  -2.503  -1.904   9.025
   65    HZ2  LYS   8           1HZ      LYS   8  -2.008  -0.510   9.862
   66    HZ3  LYS   8           2HZ      LYS   8  -0.867  -1.462   9.046
   67    H    THR   9           H        THR   9   1.311  -0.058   7.118
   68    HA   THR   9           HA       THR   9   2.659  -0.438   4.530
   69    HB   THR   9           HB       THR   9   2.914  -2.033   7.059
   70    HG1  THR   9           1HG      THR   9   4.650  -0.924   7.363
   71   HG21  THR   9          3HG2      THR   9   2.893  -3.568   5.177
   72   HG22  THR   9          1HG2      THR   9   4.521  -3.445   5.845
   73   HG23  THR   9          2HG2      THR   9   4.111  -2.594   4.355
   74    H    TYR  10           H        TYR  10   1.786  -1.863   3.157
   75    HA   TYR  10           HA       TYR  10  -0.683  -3.190   3.983
   76    HB2  TYR  10           2HB      TYR  10   0.187  -2.062   1.342
   77    HB3  TYR  10           1HB      TYR  10  -1.117  -3.250   1.454
   78    HD1  TYR  10           2HD      TYR  10  -2.578  -2.651   3.726
   79    HD2  TYR  10           1HD      TYR  10  -0.702   0.092   1.079
   80    HE1  TYR  10           2HE      TYR  10  -4.138  -0.935   4.438
   81    HE2  TYR  10           1HE      TYR  10  -2.271   1.852   1.789
   82    HH   TYR  10           HH       TYR  10  -4.409   2.111   2.819
   83    H    ASP  11           H        ASP  11  -0.761  -5.155   4.121
   84    HA   ASP  11           HA       ASP  11   1.500  -6.792   3.259
   85    HB2  ASP  11           2HB      ASP  11  -0.094  -8.544   4.565
   86    HB3  ASP  11           1HB      ASP  11   1.085  -7.512   5.372
   87    H    LEU  12           H        LEU  12   1.414  -7.702   1.372
   88    HA   LEU  12           HA       LEU  12  -1.141  -8.152   0.048
   89    HB2  LEU  12           2HB      LEU  12   1.667  -8.657  -0.964
   90    HB3  LEU  12           1HB      LEU  12   0.189  -8.760  -1.915
   91    HG   LEU  12           HG       LEU  12   1.416  -6.267  -0.737
   92   HD11  LEU  12          1HD1      LEU  12   1.309  -5.560  -3.157
   93   HD12  LEU  12          2HD1      LEU  12   0.977  -7.252  -3.540
   94   HD13  LEU  12          3HD1      LEU  12   2.489  -6.800  -2.756
   95   HD21  LEU  12          3HD2      LEU  12  -1.000  -6.177  -0.452
   96   HD22  LEU  12          1HD2      LEU  12  -1.223  -6.554  -2.161
   97   HD23  LEU  12          2HD2      LEU  12  -0.459  -5.037  -1.684
   98    H    GLN  13           H        GLN  13  -1.855 -10.226  -0.607
   99    HA   GLN  13           HA       GLN  13  -1.367 -12.105   1.469
  100    HB2  GLN  13           2HB      GLN  13  -3.535 -11.545   0.127
  101    HB3  GLN  13           1HB      GLN  13  -2.945 -12.794  -0.965
  102    HG2  GLN  13           2HG      GLN  13  -2.952 -14.417   0.783
  103    HG3  GLN  13           1HG      GLN  13  -3.315 -13.174   1.985
  104   HE21  GLN  13          1HE2      GLN  13  -4.579 -15.054  -0.677
  105   HE22  GLN  13          2HE2      GLN  13  -6.250 -14.752  -0.344
  106    H    ASP  14           H        ASP  14   0.409 -11.554  -1.213
  107    HA   ASP  14           HA       ASP  14   1.122 -14.364  -1.656
  108    HB2  ASP  14           2HB      ASP  14   2.237 -13.657  -3.630
  109    HB3  ASP  14           1HB      ASP  14   0.745 -12.721  -3.589
  110    H    GLY  15           H        GLY  15   2.018 -11.602   0.042
  111    HA2  GLY  15           2HA      GLY  15   3.730 -12.078   1.812
  112    HA3  GLY  15           1HA      GLY  15   4.740 -12.638   0.505
  113    H    SER  16           H        SER  16   3.530 -10.390  -1.150
  114    HA   SER  16           HA       SER  16   5.756  -8.670  -0.777
  115    HB2  SER  16           2HB      SER  16   3.309  -8.292  -2.503
  116    HB3  SER  16           1HB      SER  16   4.829  -7.422  -2.660
  117    HG   SER  16           HG       SER  16   4.202 -10.085  -3.310
  118    H    LYS  17           H        LYS  17   5.644  -6.365  -0.391
  119    HA   LYS  17           HA       LYS  17   3.391  -5.603   1.350
  120    HB2  LYS  17           2HB      LYS  17   6.230  -4.649   1.658
  121    HB3  LYS  17           1HB      LYS  17   4.905  -4.488   2.803
  122    HG2  LYS  17           2HG      LYS  17   4.947  -6.823   3.292
  123    HG3  LYS  17           1HG      LYS  17   6.130  -7.118   2.001
  124    HD2  LYS  17           2HD      LYS  17   7.600  -5.417   3.264
  125    HD3  LYS  17           1HD      LYS  17   6.513  -5.712   4.621
  126    HE2  LYS  17           2HE      LYS  17   7.081  -8.012   4.689
  127    HE3  LYS  17           1HE      LYS  17   7.924  -7.917   3.143
  128    HZ1  LYS  17           3HZ      LYS  17   8.753  -6.574   5.657
  129    HZ2  LYS  17           1HZ      LYS  17   9.564  -6.462   4.168
  130    HZ3  LYS  17           2HZ      LYS  17   9.479  -7.951   4.982
  131    H    VAL  18           H        VAL  18   2.704  -3.493   1.263
  132    HA   VAL  18           HA       VAL  18   4.037  -1.677  -0.646
  133    HB   VAL  18           HB       VAL  18   1.060  -2.090  -0.226
  134   HG11  VAL  18          1HG1      VAL  18   0.739  -0.260  -1.860
  135   HG12  VAL  18          2HG1      VAL  18   2.472   0.064  -1.812
  136   HG13  VAL  18          3HG1      VAL  18   1.490   0.298  -0.363
  137   HG21  VAL  18          3HG2      VAL  18   2.095  -3.673  -1.762
  138   HG22  VAL  18          1HG2      VAL  18   2.789  -2.344  -2.688
  139   HG23  VAL  18          2HG2      VAL  18   1.041  -2.560  -2.631
  140    H    HIS  19           H        HIS  19   4.638   0.193   0.329
  141    HA   HIS  19           HA       HIS  19   3.404   0.676   2.968
  142    HB2  HIS  19           2HB      HIS  19   6.088   1.742   2.098
  143    HB3  HIS  19           1HB      HIS  19   5.392   1.782   3.709
  144    HD1  HIS  19           1HD      HIS  19   5.480  -0.466   5.088
  145    HD2  HIS  19           2HD      HIS  19   7.319  -0.518   1.391
  146    HE1  HIS  19           1HE      HIS  19   6.901  -2.540   5.082
  147    HE2  HIS  19           2HE      HIS  19   8.184  -2.441   2.915
  148    H    VAL  20           H        VAL  20   2.313   2.446   3.245
  149    HA   VAL  20           HA       VAL  20   2.523   4.592   1.282
  150    HB   VAL  20           HB       VAL  20   0.721   4.331   3.707
  151   HG11  VAL  20          1HG1      VAL  20  -0.525   6.211   2.702
  152   HG12  VAL  20          2HG1      VAL  20   0.711   6.343   1.451
  153   HG13  VAL  20          3HG1      VAL  20   1.123   6.665   3.134
  154   HG21  VAL  20          3HG2      VAL  20   0.264   2.668   1.942
  155   HG22  VAL  20          1HG2      VAL  20   0.074   3.982   0.781
  156   HG23  VAL  20          2HG2      VAL  20  -1.054   3.828   2.129
  157    H    PHE  21           H        PHE  21   4.276   5.738   1.604
  158    HA   PHE  21           HA       PHE  21   5.631   5.736   4.124
  159    HB2  PHE  21           2HB      PHE  21   6.178   6.989   1.442
  160    HB3  PHE  21           1HB      PHE  21   7.194   7.324   2.836
  161    HD1  PHE  21           1HD      PHE  21   6.066   4.730   0.486
  162    HD2  PHE  21           2HD      PHE  21   8.805   5.659   3.636
  163    HE1  PHE  21           1HE      PHE  21   7.331   2.677   0.019
  164    HE2  PHE  21           2HE      PHE  21  10.052   3.615   3.149
  165    HZ   PHE  21           HZ       PHE  21   9.437   2.183   1.385
  166    H    LYS  22           H        LYS  22   6.293   7.616   5.250
  167    HA   LYS  22           HA       LYS  22   4.247   9.183   6.223
  168    HB2  LYS  22           2HB      LYS  22   6.049  10.497   7.271
  169    HB3  LYS  22           1HB      LYS  22   6.410   8.768   7.332
  170    HG2  LYS  22           2HG      LYS  22   7.841   8.971   5.401
  171    HG3  LYS  22           1HG      LYS  22   7.467  10.686   5.278
  172    HD2  LYS  22           2HD      LYS  22   8.391  10.774   7.719
  173    HD3  LYS  22           1HD      LYS  22   9.167   9.251   7.270
  174    HE2  LYS  22           2HE      LYS  22   9.490  11.945   5.963
  175    HE3  LYS  22           1HE      LYS  22  10.716  11.004   6.808
  176    HZ1  LYS  22           3HZ      LYS  22   9.396  10.120   4.294
  177    HZ2  LYS  22           1HZ      LYS  22  10.725   9.402   5.060
  178    HZ3  LYS  22           2HZ      LYS  22  10.885  10.927   4.347
  179    H    ASP  23           H        ASP  23   6.314   9.773   3.480
  180    HA   ASP  23           HA       ASP  23   5.614  12.591   3.372
  181    HB2  ASP  23           2HB      ASP  23   7.430  12.619   1.591
  182    HB3  ASP  23           1HB      ASP  23   7.962  12.245   3.226
  183    H    GLY  24           H        GLY  24   4.214   9.929   2.490
  184    HA2  GLY  24           2HA      GLY  24   2.315   9.901   1.210
  185    HA3  GLY  24           1HA      GLY  24   2.888  11.323   0.375
  186    H    LYS  25           H        LYS  25   5.418   9.152   0.282
  187    HA   LYS  25           HA       LYS  25   4.649   8.251  -2.353
  188    HB2  LYS  25           2HB      LYS  25   7.164   7.925  -0.746
  189    HB3  LYS  25           1HB      LYS  25   6.906   7.085  -2.268
  190    HG2  LYS  25           2HG      LYS  25   6.432   9.421  -3.224
  191    HG3  LYS  25           1HG      LYS  25   7.218   9.995  -1.759
  192    HD2  LYS  25           2HD      LYS  25   8.394   8.153  -3.825
  193    HD3  LYS  25           1HD      LYS  25   8.842   9.835  -3.544
  194    HE2  LYS  25           2HE      LYS  25   9.145   7.614  -1.524
  195    HE3  LYS  25           1HE      LYS  25  10.437   8.195  -2.570
  196    HZ1  LYS  25           3HZ      LYS  25   8.971   9.889  -0.621
  197    HZ2  LYS  25           1HZ      LYS  25  10.327  10.336  -1.541
  198    HZ3  LYS  25           2HZ      LYS  25  10.469   9.164  -0.319
  199    H    MET  26           H        MET  26   5.384   5.926  -2.800
  200    HA   MET  26           HA       MET  26   4.531   4.084  -0.738
  201    HB2  MET  26           2HB      MET  26   3.176   4.470  -3.381
  202    HB3  MET  26           1HB      MET  26   3.235   2.866  -2.657
  203    HG2  MET  26           2HG      MET  26   1.222   3.693  -1.909
  204    HG3  MET  26           1HG      MET  26   2.308   4.019  -0.566
  205    HE1  MET  26           3HE      MET  26   0.199   5.579  -3.493
  206    HE2  MET  26           1HE      MET  26   1.866   5.860  -3.993
  207    HE3  MET  26           2HE      MET  26   0.841   7.222  -3.535
  208    H    GLY  27           H        GLY  27   5.413   2.101  -0.877
  209    HA2  GLY  27           2HA      GLY  27   7.255   1.585  -3.110
  210    HA3  GLY  27           1HA      GLY  27   7.847   1.514  -1.456
  211    H    MET  28           H        MET  28   7.675  -0.582  -3.515
  212    HA   MET  28           HA       MET  28   5.782  -2.411  -2.197
  213    HB2  MET  28           2HB      MET  28   5.159  -1.973  -4.510
  214    HB3  MET  28           1HB      MET  28   6.774  -2.409  -5.052
  215    HG2  MET  28           2HG      MET  28   6.397  -4.700  -4.192
  216    HG3  MET  28           1HG      MET  28   4.744  -4.240  -3.789
  217    HE1  MET  28           3HE      MET  28   5.768  -6.700  -5.741
  218    HE2  MET  28           1HE      MET  28   4.457  -6.636  -6.921
  219    HE3  MET  28           2HE      MET  28   4.106  -6.447  -5.202
  220    H    GLU  29           H        GLU  29   6.567  -4.131  -1.249
  221    HA   GLU  29           HA       GLU  29   9.348  -4.948  -1.819
  222    HB2  GLU  29           2HB      GLU  29   7.678  -5.102   0.680
  223    HB3  GLU  29           1HB      GLU  29   8.997  -6.230   0.428
  224    HG2  GLU  29           2HG      GLU  29  10.566  -4.374   0.285
  225    HG3  GLU  29           1HG      GLU  29   9.240  -3.234   0.515
  226    H    ASN  30           H        ASN  30   9.683  -7.125  -2.304
  227    HA   ASN  30           HA       ASN  30   7.287  -8.717  -2.805
  228    HB2  ASN  30           2HB      ASN  30   9.173  -8.621  -4.475
  229    HB3  ASN  30           1HB      ASN  30  10.183  -9.456  -3.302
  230   HD21  ASN  30          1HD2      ASN  30  10.532 -11.152  -4.572
  231   HD22  ASN  30          2HD2      ASN  30   9.318 -12.327  -4.965
  232    H    LYS  31           H        LYS  31   7.247 -10.963  -1.936
  233    HA   LYS  31           HA       LYS  31   7.358 -11.081   0.776
  234    HB2  LYS  31           2HB      LYS  31   7.231 -13.523   0.584
  235    HB3  LYS  31           1HB      LYS  31   6.139 -12.683  -0.504
  236    HG2  LYS  31           2HG      LYS  31   7.644 -13.092  -2.359
  237    HG3  LYS  31           1HG      LYS  31   8.765 -13.918  -1.271
  238    HD2  LYS  31           2HD      LYS  31   5.906 -14.748  -1.723
  239    HD3  LYS  31           1HD      LYS  31   7.287 -15.454  -2.572
  240    HE2  LYS  31           2HE      LYS  31   8.231 -16.054  -0.326
  241    HE3  LYS  31           1HE      LYS  31   6.707 -15.528   0.386
  242    HZ1  LYS  31           3HZ      LYS  31   5.643 -17.177  -1.212
  243    HZ2  LYS  31           1HZ      LYS  31   6.484 -17.820   0.117
  244    HZ3  LYS  31           2HZ      LYS  31   7.202 -17.815  -1.418
  245    H    PHE  32           H        PHE  32  10.143 -11.374  -1.298
  246    HA   PHE  32           HA       PHE  32  11.717 -12.616   0.839
  247    HB2  PHE  32           2HB      PHE  32  12.707 -11.815  -1.897
  248    HB3  PHE  32           1HB      PHE  32  13.451 -12.943  -0.768
  249    HD1  PHE  32           1HD      PHE  32  12.521 -15.201  -0.482
  250    HD2  PHE  32           2HD      PHE  32  10.931 -12.442  -3.290
  251    HE1  PHE  32           1HE      PHE  32  11.336 -17.041  -1.616
  252    HE2  PHE  32           2HE      PHE  32   9.745 -14.244  -4.425
  253    HZ   PHE  32           HZ       PHE  32   9.943 -16.565  -3.596
  254    H    GLY  33           H        GLY  33  10.817  -9.558  -0.125
  255    HA2  GLY  33           2HA      GLY  33  11.515  -7.649   1.097
  256    HA3  GLY  33           1HA      GLY  33  13.081  -8.404   1.345
  257    H    LYS  34           H        LYS  34  11.384  -8.145  -1.709
  258    HA   LYS  34           HA       LYS  34  13.400  -7.319  -3.300
  259    HB2  LYS  34           2HB      LYS  34  10.506  -7.005  -3.453
  260    HB3  LYS  34           1HB      LYS  34  11.402  -5.832  -4.404
  261    HG2  LYS  34           2HG      LYS  34  11.680  -8.821  -4.590
  262    HG3  LYS  34           1HG      LYS  34  10.796  -7.791  -5.716
  263    HD2  LYS  34           2HD      LYS  34  12.907  -6.600  -6.217
  264    HD3  LYS  34           1HD      LYS  34  13.761  -7.736  -5.169
  265    HE2  LYS  34           2HE      LYS  34  12.991  -9.591  -6.589
  266    HE3  LYS  34           1HE      LYS  34  12.199  -8.429  -7.653
  267    HZ1  LYS  34           3HZ      LYS  34  14.387  -7.422  -8.061
  268    HZ2  LYS  34           1HZ      LYS  34  14.312  -9.043  -8.556
  269    HZ3  LYS  34           2HZ      LYS  34  15.111  -8.633  -7.119
  270    H    SER  35           H        SER  35  11.090  -4.799  -2.529
  271    HA   SER  35           HA       SER  35  11.322  -2.849  -1.386
  272    HB2  SER  35           2HB      SER  35  13.323  -3.591  -0.191
  273    HB3  SER  35           1HB      SER  35  14.306  -3.263  -1.616
  274    HG   SER  35           HG       SER  35  13.892  -1.090  -1.391
  275    H    MET  36           H        MET  36  10.308  -2.596  -3.456
  276    HA   MET  36           HA       MET  36  11.927  -1.070  -5.399
  277    HB2  MET  36           2HB      MET  36   9.411  -2.620  -6.042
  278    HB3  MET  36           1HB      MET  36  10.601  -1.977  -7.163
  279    HG2  MET  36           2HG      MET  36  12.219  -3.626  -6.443
  280    HG3  MET  36           1HG      MET  36  11.092  -4.235  -5.230
  281    HE1  MET  36           3HE      MET  36   8.237  -5.715  -7.508
  282    HE2  MET  36           1HE      MET  36   8.338  -4.088  -6.835
  283    HE3  MET  36           2HE      MET  36   8.788  -5.479  -5.850
  284    H    ASN  37           H        ASN  37   9.987   0.060  -6.900
  285    HA   ASN  37           HA       ASN  37   8.492   1.683  -4.975
  286    HB2  ASN  37           2HB      ASN  37   9.264   2.123  -7.855
  287    HB3  ASN  37           1HB      ASN  37   8.066   3.132  -7.051
  288   HD21  ASN  37          1HD2      ASN  37  11.421   2.205  -7.176
  289   HD22  ASN  37          2HD2      ASN  37  12.017   3.518  -6.209
  290    H    MET  38           H        MET  38   6.265   2.269  -5.465
  291    HA   MET  38           HA       MET  38   4.744  -0.078  -6.164
  292    HB2  MET  38           2HB      MET  38   4.063   1.224  -4.246
  293    HB3  MET  38           1HB      MET  38   3.930   2.675  -5.226
  294    HG2  MET  38           2HG      MET  38   1.740   1.869  -4.793
  295    HG3  MET  38           1HG      MET  38   2.098   1.584  -6.494
  296    HE1  MET  38           3HE      MET  38  -0.203  -1.440  -5.644
  297    HE2  MET  38           1HE      MET  38   0.071  -0.059  -6.706
  298    HE3  MET  38           2HE      MET  38  -0.346   0.201  -5.012
  299    HA   PRO  39           HA       PRO  39   4.091   1.250 -10.365
  300    HB2  PRO  39           2HB      PRO  39   2.613  -0.863 -11.147
  301    HB3  PRO  39           1HB      PRO  39   4.362  -0.969 -10.912
  302    HG2  PRO  39           2HG      PRO  39   2.146  -1.835  -9.099
  303    HG3  PRO  39           1HG      PRO  39   3.670  -2.656  -9.476
  304    HD2  PRO  39           2HD      PRO  39   3.249  -1.196  -7.198
  305    HD3  PRO  39           1HD      PRO  39   4.847  -1.437  -7.935
  306    H    GLU  40           H        GLU  40   2.371   2.008 -11.643
  307    HA   GLU  40           HA       GLU  40   0.036   2.788 -10.071
  308    HB2  GLU  40           2HB      GLU  40   1.199   4.598 -11.135
  309    HB3  GLU  40           1HB      GLU  40   1.171   3.777 -12.689
  310    HG2  GLU  40           2HG      GLU  40  -1.274   3.990 -12.734
  311    HG3  GLU  40           1HG      GLU  40  -1.207   4.859 -11.204
  312    H    GLY  41           H        GLY  41  -2.060   2.327 -10.617
  313    HA2  GLY  41           2HA      GLY  41  -3.813   1.759 -12.062
  314    HA3  GLY  41           1HA      GLY  41  -2.640   1.183 -13.233
  315    H    LYS  42           H        LYS  42  -1.452  -0.357 -10.769
  316    HA   LYS  42           HA       LYS  42  -3.010  -2.742 -11.333
  317    HB2  LYS  42           2HB      LYS  42  -0.479  -2.376  -9.739
  318    HB3  LYS  42           1HB      LYS  42  -1.207  -3.919 -10.153
  319    HG2  LYS  42           2HG      LYS  42  -0.846  -3.428 -12.537
  320    HG3  LYS  42           1HG      LYS  42  -0.062  -1.911 -12.083
  321    HD2  LYS  42           2HD      LYS  42   1.578  -3.684 -12.536
  322    HD3  LYS  42           1HD      LYS  42   1.647  -3.140 -10.860
  323    HE2  LYS  42           2HE      LYS  42   0.263  -5.067 -10.199
  324    HE3  LYS  42           1HE      LYS  42   0.268  -5.622 -11.872
  325    HZ1  LYS  42           3HZ      LYS  42   2.654  -5.330 -10.125
  326    HZ2  LYS  42           1HZ      LYS  42   2.682  -5.831 -11.746
  327    HZ3  LYS  42           2HZ      LYS  42   1.915  -6.786 -10.575
  328    H    VAL  43           H        VAL  43  -4.670  -3.276 -10.052
  329    HA   VAL  43           HA       VAL  43  -4.576  -2.537  -7.241
  330    HB   VAL  43           HB       VAL  43  -6.709  -2.215  -8.440
  331   HG11  VAL  43          1HG1      VAL  43  -8.096  -4.139  -9.051
  332   HG12  VAL  43          2HG1      VAL  43  -6.753  -5.218  -8.671
  333   HG13  VAL  43          3HG1      VAL  43  -6.608  -4.065  -9.996
  334   HG21  VAL  43          3HG2      VAL  43  -6.822  -4.260  -6.220
  335   HG22  VAL  43          1HG2      VAL  43  -8.176  -3.267  -6.763
  336   HG23  VAL  43          2HG2      VAL  43  -6.764  -2.506  -6.033
  337    H    MET  44           H        MET  44  -3.992  -3.863  -5.689
  338    HA   MET  44           HA       MET  44  -3.654  -6.720  -6.330
  339    HB2  MET  44           2HB      MET  44  -1.766  -4.953  -4.753
  340    HB3  MET  44           1HB      MET  44  -1.624  -6.700  -4.882
  341    HG2  MET  44           2HG      MET  44  -1.308  -6.504  -7.293
  342    HG3  MET  44           1HG      MET  44  -1.468  -4.754  -7.174
  343    HE1  MET  44           3HE      MET  44   0.284  -3.195  -5.941
  344    HE2  MET  44           1HE      MET  44   1.710  -3.797  -5.097
  345    HE3  MET  44           2HE      MET  44   0.099  -4.154  -4.473
  346    H    GLU  45           H        GLU  45  -3.772  -8.133  -4.457
  347    HA   GLU  45           HA       GLU  45  -5.658  -6.993  -2.542
  348    HB2  GLU  45           2HB      GLU  45  -5.313  -9.734  -3.664
  349    HB3  GLU  45           1HB      GLU  45  -6.083  -9.533  -2.092
  350    HG2  GLU  45           2HG      GLU  45  -7.746  -8.094  -3.029
  351    HG3  GLU  45           1HG      GLU  45  -6.946  -8.119  -4.601
  352    H    THR  46           H        THR  46  -5.637  -7.518  -0.432
  353    HA   THR  46           HA       THR  46  -2.928  -7.853   0.660
  354    HB   THR  46           HB       THR  46  -3.849  -6.737   2.684
  355    HG1  THR  46           1HG      THR  46  -6.119  -6.234   1.026
  356   HG21  THR  46          3HG2      THR  46  -2.691  -5.418   0.956
  357   HG22  THR  46          1HG2      THR  46  -3.976  -4.486   1.724
  358   HG23  THR  46          2HG2      THR  46  -4.227  -5.176   0.122
  359    H    ARG  47           H        ARG  47  -2.743  -9.009   2.739
  360    HA   ARG  47           HA       ARG  47  -3.967 -11.523   2.789
  361    HB2  ARG  47           2HB      ARG  47  -2.770  -9.980   5.082
  362    HB3  ARG  47           1HB      ARG  47  -3.087 -11.694   5.086
  363    HG2  ARG  47           2HG      ARG  47  -1.458 -11.999   3.283
  364    HG3  ARG  47           1HG      ARG  47  -1.114 -10.266   3.332
  365    HD2  ARG  47           2HD      ARG  47  -0.707 -12.246   5.575
  366    HD3  ARG  47           1HD      ARG  47   0.555 -11.470   4.618
  367    HE   ARG  47           HE       ARG  47  -0.857  -9.401   5.692
  368   HH11  ARG  47          1HH1      ARG  47   0.799 -12.165   7.038
  369   HH12  ARG  47          2HH1      ARG  47   1.263 -11.333   8.490
  370   HH21  ARG  47          1HH2      ARG  47  -0.289  -8.308   7.604
  371   HH22  ARG  47          2HH2      ARG  47   0.607  -9.154   8.841
  372    H    ASP  48           H        ASP  48  -5.152  -8.488   3.779
  373    HA   ASP  48           HA       ASP  48  -6.879  -9.439   5.867
  374    HB2  ASP  48           2HB      ASP  48  -6.034  -7.207   6.084
  375    HB3  ASP  48           1HB      ASP  48  -6.599  -6.771   4.476
  376    H    GLY  49           H        GLY  49  -7.049  -9.061   2.444
  377    HA2  GLY  49           2HA      GLY  49  -8.807 -10.026   1.149
  378    HA3  GLY  49           1HA      GLY  49  -9.896  -9.794   2.511
  379    H    THR  50           H        THR  50  -7.762  -7.247   1.714
  380    HA   THR  50           HA       THR  50  -9.974  -5.749   0.488
  381    HB   THR  50           HB       THR  50  -7.703  -4.693   2.207
  382    HG1  THR  50           1HG      THR  50  -9.071  -5.480   3.681
  383   HG21  THR  50          3HG2      THR  50  -8.933  -2.570   2.175
  384   HG22  THR  50          1HG2      THR  50 -10.108  -3.269   1.060
  385   HG23  THR  50          2HG2      THR  50  -8.436  -3.044   0.551
  386    H    LYS  51           H        LYS  51  -9.156  -3.968  -0.980
  387    HA   LYS  51           HA       LYS  51  -6.956  -5.057  -2.620
  388    HB2  LYS  51           2HB      LYS  51  -9.466  -3.638  -3.549
  389    HB3  LYS  51           1HB      LYS  51  -8.184  -4.243  -4.588
  390    HG2  LYS  51           2HG      LYS  51  -8.698  -6.511  -4.018
  391    HG3  LYS  51           1HG      LYS  51  -9.849  -5.986  -2.787
  392    HD2  LYS  51           2HD      LYS  51 -11.239  -4.967  -4.535
  393    HD3  LYS  51           1HD      LYS  51 -10.091  -5.510  -5.759
  394    HE2  LYS  51           2HE      LYS  51 -11.673  -7.302  -3.918
  395    HE3  LYS  51           1HE      LYS  51 -12.055  -6.978  -5.607
  396    HZ1  LYS  51           3HZ      LYS  51  -9.671  -7.838  -6.011
  397    HZ2  LYS  51           1HZ      LYS  51 -10.912  -8.957  -5.713
  398    HZ3  LYS  51           2HZ      LYS  51  -9.831  -8.547  -4.476
  399    H    ILE  52           H        ILE  52  -5.499  -3.584  -3.516
  400    HA   ILE  52           HA       ILE  52  -5.920  -0.730  -2.951
  401    HB   ILE  52           HB       ILE  52  -3.518  -0.507  -2.348
  402   HG12  ILE  52          2HG1      ILE  52  -3.582  -3.529  -2.146
  403   HG13  ILE  52          1HG1      ILE  52  -2.766  -2.625  -3.418
  404   HG21  ILE  52          1HG2      ILE  52  -5.110  -2.326  -0.544
  405   HG22  ILE  52          2HG2      ILE  52  -5.236  -0.569  -0.622
  406   HG23  ILE  52          3HG2      ILE  52  -3.744  -1.321  -0.060
  407   HD11  ILE  52          3HD1      ILE  52  -1.323  -1.590  -1.713
  408   HD12  ILE  52          1HD1      ILE  52  -1.170  -3.343  -1.771
  409   HD13  ILE  52          2HD1      ILE  52  -2.104  -2.585  -0.482
  410    H    ILE  53           H        ILE  53  -4.819   0.714  -4.336
  411    HA   ILE  53           HA       ILE  53  -3.102  -0.217  -6.415
  412    HB   ILE  53           HB       ILE  53  -4.987  -0.896  -7.640
  413   HG12  ILE  53          2HG1      ILE  53  -3.374   0.911  -8.742
  414   HG13  ILE  53          1HG1      ILE  53  -4.735   0.214  -9.608
  415   HG21  ILE  53          1HG2      ILE  53  -6.992   0.447  -8.001
  416   HG22  ILE  53          2HG2      ILE  53  -6.343   1.688  -6.930
  417   HG23  ILE  53          3HG2      ILE  53  -6.725   0.088  -6.295
  418   HD11  ILE  53          3HD1      ILE  53  -6.080   2.189  -9.077
  419   HD12  ILE  53          1HD1      ILE  53  -4.608   2.610  -9.955
  420   HD13  ILE  53          2HD1      ILE  53  -4.707   2.884  -8.214
  421    H    MET  54           H        MET  54  -2.127   1.547  -7.601
  422    HA   MET  54           HA       MET  54  -2.371   4.097  -6.128
  423    HB2  MET  54           2HB      MET  54  -0.228   3.061  -5.660
  424    HB3  MET  54           1HB      MET  54   0.068   2.806  -7.374
  425    HG2  MET  54           2HG      MET  54   0.143   5.238  -7.705
  426    HG3  MET  54           1HG      MET  54  -0.104   5.466  -5.975
  427    HE1  MET  54           3HE      MET  54   2.305   6.708  -7.719
  428    HE2  MET  54           1HE      MET  54   3.657   6.485  -6.609
  429    HE3  MET  54           2HE      MET  54   2.096   7.031  -5.997
  430    H    LYS  55           H        LYS  55  -2.747   5.896  -7.283
  431    HA   LYS  55           HA       LYS  55  -2.227   5.858 -10.159
  432    HB2  LYS  55           2HB      LYS  55  -4.616   5.166  -9.756
  433    HB3  LYS  55           1HB      LYS  55  -4.887   6.745  -9.026
  434    HG2  LYS  55           2HG      LYS  55  -5.667   6.841 -11.269
  435    HG3  LYS  55           1HG      LYS  55  -4.174   7.776 -11.188
  436    HD2  LYS  55           2HD      LYS  55  -2.966   5.726 -12.002
  437    HD3  LYS  55           1HD      LYS  55  -4.543   4.995 -12.292
  438    HE2  LYS  55           2HE      LYS  55  -3.721   5.934 -14.348
  439    HE3  LYS  55           1HE      LYS  55  -5.093   6.891 -13.791
  440    HZ1  LYS  55           3HZ      LYS  55  -2.238   7.612 -13.377
  441    HZ2  LYS  55           1HZ      LYS  55  -3.583   8.554 -12.947
  442    HZ3  LYS  55           2HZ      LYS  55  -3.238   8.265 -14.582
  443    H    GLY  56           H        GLY  56  -1.270   7.677 -10.798
  444    HA2  GLY  56           2HA      GLY  56  -0.768   9.902 -10.978
  445    HA3  GLY  56           1HA      GLY  56  -2.117  10.242  -9.918
  446    H    ASN  57           H        ASN  57  -0.653   8.421  -7.821
  447    HA   ASN  57           HA       ASN  57   1.380   9.350  -6.536
  448    HB2  ASN  57           2HB      ASN  57   0.826  11.705  -7.305
  449    HB3  ASN  57           1HB      ASN  57  -0.583  11.647  -6.251
  450   HD21  ASN  57          1HD2      ASN  57  -0.307  11.829  -4.037
  451   HD22  ASN  57          2HD2      ASN  57   1.205  12.260  -3.316
  452    H    GLU  58           H        GLU  58  -2.000   8.949  -6.534
  453    HA   GLU  58           HA       GLU  58  -2.215   8.888  -3.614
  454    HB2  GLU  58           2HB      GLU  58  -4.328   8.813  -5.766
  455    HB3  GLU  58           1HB      GLU  58  -4.640   8.896  -4.037
  456    HG2  GLU  58           2HG      GLU  58  -3.669  11.075  -3.891
  457    HG3  GLU  58           1HG      GLU  58  -3.097  10.985  -5.555
  458    H    ILE  59           H        ILE  59  -2.858   7.110  -2.465
  459    HA   ILE  59           HA       ILE  59  -2.966   4.585  -3.950
  460    HB   ILE  59           HB       ILE  59  -1.729   5.350  -1.484
  461   HG12  ILE  59          2HG1      ILE  59  -0.732   4.030  -3.316
  462   HG13  ILE  59          1HG1      ILE  59  -0.560   3.251  -1.749
  463   HG21  ILE  59          1HG2      ILE  59  -3.648   3.040  -1.192
  464   HG22  ILE  59          2HG2      ILE  59  -3.707   4.571  -0.319
  465   HG23  ILE  59          3HG2      ILE  59  -2.366   3.457  -0.057
  466   HD11  ILE  59          3HD1      ILE  59  -2.568   2.542  -3.869
  467   HD12  ILE  59          1HD1      ILE  59  -2.416   1.763  -2.296
  468   HD13  ILE  59          2HD1      ILE  59  -1.105   1.641  -3.469
  469    H    PHE  60           H        PHE  60  -4.793   3.673  -4.310
  470    HA   PHE  60           HA       PHE  60  -7.206   4.184  -2.761
  471    HB2  PHE  60           2HB      PHE  60  -7.853   3.915  -4.930
  472    HB3  PHE  60           1HB      PHE  60  -6.456   2.946  -5.350
  473    HD1  PHE  60           1HD      PHE  60  -6.635   0.491  -4.030
  474    HD2  PHE  60           2HD      PHE  60  -9.865   2.915  -5.365
  475    HE1  PHE  60           1HE      PHE  60  -8.114  -1.478  -4.055
  476    HE2  PHE  60           2HE      PHE  60 -11.333   0.967  -5.399
  477    HZ   PHE  60           HZ       PHE  60 -10.372  -1.296  -5.017
  478    H    ARG  61           H        ARG  61  -7.668   3.103  -1.013
  479    HA   ARG  61           HA       ARG  61  -7.105   0.226  -1.056
  480    HB2  ARG  61           2HB      ARG  61  -5.877   1.373   0.835
  481    HB3  ARG  61           1HB      ARG  61  -7.442   1.865   1.473
  482    HG2  ARG  61           2HG      ARG  61  -8.053  -0.601   1.479
  483    HG3  ARG  61           1HG      ARG  61  -6.342  -0.915   1.202
  484    HD2  ARG  61           2HD      ARG  61  -5.850   0.399   3.269
  485    HD3  ARG  61           1HD      ARG  61  -7.587   0.482   3.562
  486    HE   ARG  61           HE       ARG  61  -5.916  -1.933   3.669
  487   HH11  ARG  61          1HH1      ARG  61  -8.969  -0.338   4.273
  488   HH12  ARG  61          2HH1      ARG  61  -9.615  -1.649   5.202
  489   HH21  ARG  61          1HH2      ARG  61  -6.738  -3.640   4.917
  490   HH22  ARG  61          2HH2      ARG  61  -8.353  -3.533   5.562
  491    H    LEU  62           H        LEU  62  -8.830  -0.922  -1.051
  492    HA   LEU  62           HA       LEU  62 -11.017  -1.555  -1.341
  493    HB2  LEU  62           2HB      LEU  62 -12.493  -1.150   0.421
  494    HB3  LEU  62           1HB      LEU  62 -10.897  -1.061   1.141
  495    HG   LEU  62           HG       LEU  62 -11.731   1.601   0.377
  496   HD11  LEU  62          1HD1      LEU  62 -14.006   0.703   0.606
  497   HD12  LEU  62          2HD1      LEU  62 -13.609   1.847   1.886
  498   HD13  LEU  62          3HD1      LEU  62 -13.607   0.116   2.221
  499   HD21  LEU  62          3HD2      LEU  62 -10.004   0.982   1.981
  500   HD22  LEU  62          1HD2      LEU  62 -11.224   0.254   3.029
  501   HD23  LEU  62          2HD2      LEU  62 -11.248   1.992   2.726
  502    H    ASP  63           H        ASP  63 -10.190   1.624  -1.944
  503    HA   ASP  63           HA       ASP  63 -12.143   2.366  -3.786
  504    HB2  ASP  63           2HB      ASP  63 -13.388   2.231  -1.420
  505    HB3  ASP  63           1HB      ASP  63 -12.595   3.787  -1.195
  506    H    GLU  64           H        GLU  64 -12.162   5.052  -3.563
  507    HA   GLU  64           HA       GLU  64  -9.377   5.796  -3.068
  508    HB2  GLU  64           2HB      GLU  64  -9.985   7.951  -4.081
  509    HB3  GLU  64           1HB      GLU  64 -10.268   6.588  -5.143
  510    HG2  GLU  64           2HG      GLU  64 -12.670   6.710  -4.590
  511    HG3  GLU  64           1HG      GLU  64 -12.337   8.156  -3.632
  512    H    ALA  65           H        ALA  65 -11.644   5.114  -1.274
  513    HA   ALA  65           HA       ALA  65 -12.503   7.118   0.375
  514    HB1  ALA  65           1HB      ALA  65 -11.969   4.243   0.727
  515    HB2  ALA  65           2HB      ALA  65 -13.495   5.122   0.794
  516    HB3  ALA  65           3HB      ALA  65 -12.362   5.213   2.144
  517    H    LEU  66           H        LEU  66  -9.326   5.805   0.119
  518    HA   LEU  66           HA       LEU  66  -8.565   7.120   2.628
  519    HB2  LEU  66           2HB      LEU  66  -7.598   4.590   1.347
  520    HB3  LEU  66           1HB      LEU  66  -6.615   5.443   2.526
  521    HG   LEU  66           HG       LEU  66  -9.446   4.751   3.201
  522   HD11  LEU  66          1HD1      LEU  66  -8.629   2.639   4.201
  523   HD12  LEU  66          2HD1      LEU  66  -7.092   2.878   3.370
  524   HD13  LEU  66          3HD1      LEU  66  -8.573   2.641   2.437
  525   HD21  LEU  66          3HD2      LEU  66  -8.520   4.700   5.467
  526   HD22  LEU  66          1HD2      LEU  66  -8.210   6.242   4.669
  527   HD23  LEU  66          2HD2      LEU  66  -6.918   5.050   4.816
  528    H    ARG  67           H        ARG  67  -8.303   7.465  -0.663
  529    HA   ARG  67           HA       ARG  67  -5.703   8.786  -0.452
  530    HB2  ARG  67           2HB      ARG  67  -5.661   8.935  -2.812
  531    HB3  ARG  67           1HB      ARG  67  -6.263   7.327  -2.461
  532    HG2  ARG  67           2HG      ARG  67  -8.478   7.943  -3.030
  533    HG3  ARG  67           1HG      ARG  67  -8.053   9.654  -3.092
  534    HD2  ARG  67           2HD      ARG  67  -6.549   9.155  -5.004
  535    HD3  ARG  67           1HD      ARG  67  -7.122   7.486  -4.974
  536    HE   ARG  67           HE       ARG  67  -9.410   8.921  -5.160
  537   HH11  ARG  67          1HH1      ARG  67  -6.444   9.011  -7.017
  538   HH12  ARG  67          2HH1      ARG  67  -7.238   9.454  -8.498
  539   HH21  ARG  67          1HH2      ARG  67 -10.454   9.495  -7.071
  540   HH22  ARG  67          2HH2      ARG  67  -9.535   9.697  -8.540
  541    H    LYS  68           H        LYS  68  -9.108   9.357  -0.867
  542    HA   LYS  68           HA       LYS  68  -8.659  12.238  -0.469
  543    HB2  LYS  68           2HB      LYS  68 -10.870  10.956  -2.098
  544    HB3  LYS  68           1HB      LYS  68 -10.687  12.677  -1.794
  545    HG2  LYS  68           2HG      LYS  68  -8.472  12.543  -2.977
  546    HG3  LYS  68           1HG      LYS  68  -8.912  10.900  -3.449
  547    HD2  LYS  68           2HD      LYS  68 -11.000  11.849  -4.460
  548    HD3  LYS  68           1HD      LYS  68 -10.348  13.458  -4.147
  549    HE2  LYS  68           2HE      LYS  68  -9.165  11.326  -5.920
  550    HE3  LYS  68           1HE      LYS  68  -9.897  12.844  -6.434
  551    HZ1  LYS  68           3HZ      LYS  68  -7.334  12.463  -4.984
  552    HZ2  LYS  68           1HZ      LYS  68  -8.095  13.978  -5.136
  553    HZ3  LYS  68           2HZ      LYS  68  -7.582  13.145  -6.517
  554    H    GLY  69           H        GLY  69 -11.122  13.092   0.149
  555    HA2  GLY  69           2HA      GLY  69 -12.942  12.780   1.630
  556    HA3  GLY  69           1HA      GLY  69 -12.212  11.277   2.184
  557    H    HIS  70           H        HIS  70  -9.670  12.120   2.775
  558    HA   HIS  70           HA       HIS  70 -10.023  13.510   5.253
  559    HB2  HIS  70           2HB      HIS  70  -7.591  13.221   5.529
  560    HB3  HIS  70           1HB      HIS  70  -8.370  11.712   5.070
  561    HD1  HIS  70           1HD      HIS  70  -5.752  14.096   4.036
  562    HD2  HIS  70           2HD      HIS  70  -7.852  10.923   2.344
  563    HE1  HIS  70           1HE      HIS  70  -4.465  13.449   1.970
  564    HE2  HIS  70           2HE      HIS  70  -5.872  11.672   0.860
  565    H    SER  71           H        SER  71 -10.388  14.849   2.504
  566    HA   SER  71           HA       SER  71  -8.651  17.185   2.937
  567    HB2  SER  71           2HB      SER  71 -10.453  16.763   0.558
  568    HB3  SER  71           1HB      SER  71  -8.971  17.715   0.662
  569    HG   SER  71           HG       SER  71  -7.858  15.993   0.162
  570    H    GLU  72           H        GLU  72 -11.137  16.292   4.387
  571    HA   GLU  72           HA       GLU  72 -13.227  18.114   3.584
  572    HB2  GLU  72           2HB      GLU  72 -14.484  17.074   5.430
  573    HB3  GLU  72           1HB      GLU  72 -13.786  15.868   4.359
  574    HG2  GLU  72           2HG      GLU  72 -11.878  15.698   6.009
  575    HG3  GLU  72           1HG      GLU  72 -12.863  16.666   7.103
  576    H    GLY  73           H        GLY  73 -10.566  18.187   5.723
  577    HA2  GLY  73           2HA      GLY  73  -9.860  20.105   6.910
  578    HA3  GLY  73           1HA      GLY  73 -11.506  20.721   6.851
  579    H    GLY  74           H        GLY  74 -11.212  17.448   7.663
  580    HA2  GLY  74           2HA      GLY  74 -11.717  18.083  10.505
  581    HA3  GLY  74           1HA      GLY  74 -12.498  16.761   9.644
</PRE>