*HEADER    DE NOVO PROTEIN                         09-MAR-07   2JOF              
*TITLE     THE TRP-CAGE: OPTIMIZING THE STABILITY OF A GLOBULAR                  
*TITLE    2 MINIPROTEIN                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRP-CAGE;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DE NOVO PROTEIN, MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE             
*EXPDTA    NMR, 28 STRUCTURES                                                    
*AUTHOR    B.BARUA, N.H.ANDERSEN                                                 
*REVDAT   1   04-MAR-08 2JOF    0                                                


assign (resid   10 and name ha#  ) (resid   10 and name hn   )  2.82  0.38  0.50 
assign (resid   10 and name hn   ) (resid   11 and name hn   )  2.42  0.25  0.23 
assign (resid   10 and name ha#  ) (resid   11 and name hn   )  3.10  0.47  0.57 
assign (resid   10 and name hn   ) (resid    9 and name hn   )  2.96  0.42  0.33 
assign (resid   11 and name ha2  ) (resid   11 and name hn   )  2.53  0.32  0.16
assign (resid   11 and name ha1  ) (resid   11 and name hn   )  2.92  0.38  0.30
assign (resid   12 and name hd1  ) (resid   11 and name ha1  )  2.41  0.35  0.22
assign (resid   12 and name hd2  ) (resid   11 and name ha1  )  2.47  0.27  0.23
assign (resid   12 and name hd2  ) (resid   11 and name hn   )  3.90  0.72  0.77 
assign (resid   12 and name ha   ) (resid   12 and name hb1  )  2.73  0.35  0.28 
assign (resid   12 and name hd1  ) (resid   12 and name hg1  )  2.85  0.39  0.31 
assign (resid   12 and name hd2  ) (resid   12 and name hg2  )  2.94  0.51  0.33 
assign (resid   12 and name ha   ) (resid   12 and name hg1  )  3.29  0.52  0.53 
assign (resid   12 and name hd2  ) (resid   12 and name hb2  )  3.85  0.70  0.64 
assign (resid   12 and name hd2  ) (resid   13 and name hn   )  3.71  0.66  0.58 
assign (resid   12 and name hd1  ) (resid   13 and name hn   )  4.00  0.70  1.00 
assign (resid   12 and name hb2  ) (resid   13 and name hn   )  4.04  0.76  0.74 
assign (resid   12 and name ha   ) (resid    6 and name hz2  )  2.92  0.51  0.53 
assign (resid   12 and name hd1  ) (resid    6 and name hh2  )  2.92  0.41  0.53 
assign (resid   12 and name hg#  ) (resid    6 and name hh2  )  3.24  0.51  0.81 
assign (resid   12 and name hg#  ) (resid    6 and name hz2  )  3.44  0.57  0.87 
assign (resid   12 and name ha   ) (resid    6 and name hh2  )  3.51  0.59  0.80 
assign (resid   13 and name ha   ) (resid   13 and name hb#  )  2.69  0.31  0.26 
assign (resid   13 and name hb#  ) (resid   13 and name hn   )  3.13  0.45  0.36 
assign (resid   13 and name ha   ) (resid   13 and name hn   )  3.35  0.54  0.45 
assign (resid   13 and name hn   ) (resid   14 and name hn   )  2.72  0.34  0.28 
assign (resid   13 and name ha   ) (resid   14 and name hn   )  3.50  0.59  0.50 
assign (resid   13 and name ha   ) (resid   15 and name hn   )  3.81  0.69  0.62 
assign (resid   14 and name ha   ) (resid   14 and name hb2  )  3.00  0.20  0.20 
assign (resid   14 and name ha   ) (resid   14 and name hb1  )  2.50  0.20  0.20 
assign (resid   14 and name hb2  ) (resid   14 and name hn   )  2.76  0.36  0.29 
assign (resid   14 and name ha   ) (resid   14 and name hn   )  2.90  0.40  0.32 
assign (resid   14 and name hb1  ) (resid   14 and name hn   )  3.51  0.40  0.40 
assign (resid   14 and name ha   ) (resid   15 and name hn   )  3.80  0.73  0.68 
assign (resid   14 and name hb1  ) (resid    9 and name hb1  )  3.00  0.43  0.34 
assign (resid   14 and name hb2  ) (resid    9 and name hb1  )  3.57  0.61  0.52 
assign (resid   14 and name hb2  ) (resid    9 and name hb2  )  4.30  0.40  2.00 
assign (resid   14 and name hb1  ) (resid    9 and name hb2  )  4.30  0.40  2.00 
assign (resid   15 and name hn   ) (resid   14 and name hn   )  3.09  0.46  0.37 
assign (resid   15 and name ha2  ) (resid   15 and name hn   )  2.41  0.25  0.22 
assign (resid   15 and name ha1  ) (resid   15 and name hn   )  2.95  0.42  0.33 
assign (resid   15 and name hn   ) (resid   16 and name hn   )  2.83  0.38  0.30 
assign (resid   15 and name ha2  ) (resid   16 and name hn   )  3.79  0.68  0.62 
assign (resid   15 and name ha1  ) (resid   16 and name hn   )  3.98  0.74  0.70 
assign (resid   16 and name ha   ) (resid   16 and name hb#  )  2.74  0.35  0.48 
assign (resid   16 and name hb#  ) (resid   16 and name hn   )  2.96  0.42  0.54 
assign (resid   16 and name hd#  ) (resid   16 and name hg#  )  3.10  0.46  0.77 
assign (resid   16 and name hd#  ) (resid   16 and name he   )  3.15  0.48  0.59 
assign (resid   16 and name ha   ) (resid   17 and name hd1  )  2.51  0.38  0.24 
assign (resid   16 and name ha   ) (resid   17 and name hd2  )  3.01  0.44  0.35 
assign (resid   16 and name hg#  ) (resid    6 and name hd1  )  2.52  0.28  0.64 
assign (resid   16 and name hb#  ) (resid    6 and name hd1  )  2.94  0.41  0.73 
assign (resid   16 and name hb#  ) (resid    6 and name he1  )  3.50  0.59  0.90 
assign (resid   16 and name hg#  ) (resid    6 and name he1  )  3.68  0.65  0.97 
assign (resid   16 and name hn   ) (resid    6 and name he1  )  3.83  0.70  0.83 
assign (resid   17 and name hd2  ) (resid   16 and name hb#  )  3.29  0.53  0.63 
assign (resid   17 and name ha   ) (resid   17 and name hb1  )  2.52  0.28  0.24 
assign (resid   17 and name hd2  ) (resid   17 and name hg2  )  2.75  0.39  0.31 
assign (resid   17 and name hd2  ) (resid   17 and name hb2  )  3.22  0.50  0.50 
assign (resid   17 and name ha   ) (resid   17 and name hg1  )  3.57  0.61  0.52 
assign (resid   17 and name hd1  ) (resid   17 and name hb2  )  3.70  0.65  0.57 
assign (resid   17 and name ha   ) (resid   18 and name hd#  )  2.14  0.14  0.18 
assign (resid   18 and name hd#  ) (resid   17 and name hb1  )  3.31  0.51  0.41 
assign (resid   18 and name ha   ) (resid   18 and name hb1  )  2.40  0.40  0.40 
assign (resid   18 and name ha   ) (resid   18 and name hb2  )  3.00  0.20  0.20 
assign (resid   18 and name hd#  ) (resid   18 and name hb1  )  3.90  0.70  0.62 
assign (resid   18 and name hb2  ) (resid    3 and name he#  )  3.41  0.54  0.85 
assign (resid   18 and name hb1  ) (resid    3 and name he#  )  3.87  0.59  1.12 
assign (resid   18 and name hd1  ) (resid    6 and name hz2  )  2.76  0.34  0.49 
assign (resid   18 and name ha   ) (resid    6 and name hd1  )  3.33  0.54  0.64 
assign (resid   18 and name ha   ) (resid    6 and name he1  )  3.50  0.59  0.70 
assign (resid   18 and name hg1  ) (resid    6 and name hz2  )  3.65  0.64  0.75 
assign (resid   19 and name hd1  ) (resid   18 and name ha   )  2.55  0.29  0.20 
assign (resid   19 and name hd2  ) (resid   18 and name ha   )  2.84  0.25  0.29 
assign (resid   19 and name hd2  ) (resid   18 and name hb2  )  3.89  0.72  0.66 
assign (resid   19 and name ha   ) (resid   19 and name hb1  )  2.70  0.38  0.21 
assign (resid   19 and name hd1  ) (resid   19 and name hg1  )  2.70  0.44  0.35 
assign (resid   19 and name hd1  ) (resid   19 and name hg2  )  3.27  0.52  0.42 
assign (resid   19 and name ha   ) (resid   19 and name hb2  )  3.30  0.53  0.43 
assign (resid   19 and name hd2  ) (resid   19 and name hg2  )  3.00  0.54  0.20 
assign (resid   19 and name hd2  ) (resid   19 and name hg1  )  3.38  0.55  0.46 
assign (resid   19 and name ha   ) (resid   20 and name hn   )  2.42  0.25  0.23 
assign (resid   19 and name hb2  ) (resid   20 and name hn   )  3.91  0.72  0.67 
assign (resid   19 and name hd2  ) (resid    3 and name hd#  )  3.29  0.51  0.82 
assign (resid   19 and name hd2  ) (resid    6 and name hd1  )  3.58  0.62  0.73 
assign (resid    1 and name ha   ) (resid    1 and name hb#  )  2.65  0.30  0.26 
assign (resid   20 and name ha   ) (resid   20 and name hb#  )  2.60  0.29  0.25 
assign (resid   20 and name ha   ) (resid   20 and name hn   )  3.02  0.44  0.35 
assign (resid    2 and name ha   ) (resid    2 and name hb#  )  3.00  0.50  0.30 
assign (resid    2 and name ha   ) (resid    3 and name hn   )  3.46  0.58  0.48 
assign (resid    2 and name hb#  ) (resid    3 and name hn   )  3.80  0.60  0.57 
assign (resid    2 and name ha   ) (resid    5 and name hn   )  3.36  0.55  0.45 
assign (resid    2 and name ha   ) (resid    5 and name hb1  )  3.63  0.63  0.55 
assign (resid    2 and name ha   ) (resid    5 and name hb2  )  3.67  0.65  0.56 
assign (resid    2 and name hb#  ) (resid    5 and name hn   )  4.54  0.82  0.83 
assign (resid    3 and name ha   ) (resid   19 and name hg1  )  3.39  0.56  0.46 
assign (resid    3 and name ha   ) (resid   19 and name hg2  )  3.44  0.57  0.48 
assign (resid    3 and name ha   ) (resid   19 and name hd2  )  3.67  0.64  0.56 
assign (resid    3 and name ha   ) (resid   19 and name hb1  )  4.00  0.50  1.50 
assign (resid    3 and name ha   ) (resid   19 and name hb2  )  4.00  0.50  1.50 
assign (resid    3 and name hb#  ) (resid    3 and name hn   )  2.47  0.25  0.23 
assign (resid    3 and name hb#  ) (resid    3 and name hd#  )  2.51  0.24  0.66 
assign (resid    3 and name ha   ) (resid    3 and name hb#  )  2.53  0.27  0.24 
assign (resid    3 and name ha   ) (resid    3 and name hd#  )  2.84  0.36  0.71 
assign (resid    3 and name ha   ) (resid    3 and name hn   )  2.94  0.41  0.33 
assign (resid    3 and name hb#  ) (resid    4 and name hn   )  2.76  0.34  0.28 
assign (resid    3 and name ha   ) (resid    4 and name hn   )  3.91  0.72  0.67 
assign (resid    3 and name ha   ) (resid    6 and name hb1  )  2.56  0.30  0.25 
assign (resid    3 and name he#  ) (resid    6 and name hz3  )  3.11  0.45  0.98 
assign (resid    3 and name ha   ) (resid    6 and name hn   )  3.79  0.68  0.61 
assign (resid    3 and name ha   ) (resid    6 and name he3  )  4.00  0.80  0.60 
assign (resid    4 and name hn   ) (resid    3 and name hn   )  2.83  0.38  0.30 
assign (resid    4 and name ha   ) (resid    3 and name hd#  )  3.47  0.56  0.87 
assign (resid    4 and name hb#  ) (resid    4 and name hn   )  2.70  0.23  0.24 
assign (resid    4 and name ha   ) (resid    4 and name hn   )  2.74  0.35  0.28 
assign (resid    4 and name hb#  ) (resid    5 and name hn   )  3.28  0.42  0.34 
assign (resid    4 and name ha   ) (resid    5 and name hn   )  3.71  0.66  0.58 
assign (resid    4 and name hn   ) (resid    5 and name hn   )  2.80  0.30  0.30 
assign (resid    4 and name ha   ) (resid    7 and name hb2  )  3.41  0.56  0.47 
assign (resid    4 and name ha   ) (resid    7 and name hd1# )  3.62  0.53  0.42 
assign (resid    5 and name ha   ) (resid    5 and name hn   )  2.61  0.31  0.26 
assign (resid    5 and name hb2  ) (resid    5 and name hn   )  2.64  0.32  0.26 
assign (resid    5 and name hb1  ) (resid    5 and name hn   )  2.65  0.32  0.27 
assign (resid    5 and name ha   ) (resid    5 and name hb1  )  3.19  0.49  0.40 
assign (resid    5 and name ha   ) (resid    5 and name hb2  )  3.23  0.51  0.41 
assign (resid    5 and name hb1  ) (resid    6 and name hn   )  2.92  0.41  0.33 
assign (resid    5 and name hb2  ) (resid    6 and name hn   )  3.32  0.54  0.44 
assign (resid    6 and name hd1  ) (resid   16 and name he   )  3.51  0.60  0.70 
assign (resid    6 and name ha   ) (resid    6 and name hb1  )  3.00  0.20  0.20 
assign (resid    6 and name ha   ) (resid    6 and name hb2  )  2.40  0.40  0.40 
assign (resid    6 and name hb2  ) (resid    6 and name hn   )  2.41  0.25  0.22 
assign (resid    6 and name hb1  ) (resid    6 and name hn   )  2.43  0.25  0.23 
assign (resid    6 and name hz2  ) (resid    6 and name he1  )  2.66  0.32  0.67 
assign (resid    6 and name hb2  ) (resid    6 and name hd1  )  2.83  0.38  0.51 
assign (resid    6 and name ha   ) (resid    6 and name hn   )  2.94  0.41  0.33 
assign (resid    6 and name ha   ) (resid    6 and name hd1  )  2.98  0.43  0.54 
assign (resid    6 and name hb1  ) (resid    6 and name he3  )  3.07  0.45  0.56 
assign (resid    6 and name hb1  ) (resid    6 and name hd1  )  3.23  0.51  0.61 
assign (resid    6 and name hb2  ) (resid    6 and name he3  )  3.26  0.52  0.62 
assign (resid    6 and name hb1  ) (resid    7 and name hn   )  2.94  0.41  0.33 
assign (resid    6 and name he3  ) (resid    7 and name hn   )  3.16  0.48  0.59 
assign (resid    6 and name ha   ) (resid    7 and name hn   )  4.05  0.76  0.74 
assign (resid    6 and name ha   ) (resid    9 and name hb1  )  4.00  0.20  1.00 
assign (resid    6 and name ha   ) (resid    9 and name hb2  )  3.20  0.50  0.40 
assign (resid    6 and name ha   ) (resid    9 and name hn   )  3.81  0.69  0.62 
assign (resid    7 and name ha   ) (resid   11 and name hn   )  2.74  0.45  0.29 
assign (resid    7 and name hd1# ) (resid    3 and name he#  )  3.46  0.45  0.86 
assign (resid    7 and name hd2# ) (resid    3 and name he#  )  4.11  0.66  1.03 
assign (resid    7 and name hd1# ) (resid    3 and name hd#  )  4.12  0.66  1.04 
assign (resid    7 and name hn   ) (resid    6 and name hn   )  2.57  0.27  0.23 
assign (resid    7 and name hg   ) (resid    6 and name he3  )  2.73  0.45  0.48 
assign (resid    7 and name hd2# ) (resid    6 and name hz3  )  3.35  0.44  0.60 
assign (resid    7 and name hd2# ) (resid    6 and name he3  )  3.55  0.50  0.64 
assign (resid    7 and name ha   ) (resid    6 and name he3  )  3.66  0.64  0.76 
assign (resid    7 and name hb2  ) (resid    7 and name hn   )  2.66  0.33  0.27 
assign (resid    7 and name hg   ) (resid    7 and name hn   )  2.68  0.33  0.27 
assign (resid    7 and name ha   ) (resid    7 and name hb1  )  2.50  0.20  0.25 
assign (resid    7 and name ha   ) (resid    7 and name hd2# )  2.86  0.28  0.26 
assign (resid    7 and name ha   ) (resid    7 and name hn   )  2.88  0.40  0.32 
assign (resid    7 and name hb1  ) (resid    7 and name hn   )  3.49  0.46  0.46 
assign (resid    7 and name hb1  ) (resid    7 and name hd2# )  3.41  0.46  0.37 
assign (resid    7 and name hb2  ) (resid    7 and name hd1# )  3.43  0.47  0.37 
assign (resid    7 and name hb1  ) (resid    7 and name hd1# )  3.56  0.51  0.40 
assign (resid    7 and name ha   ) (resid    7 and name hb2  )  3.05  0.10  0.10 
assign (resid    7 and name ha   ) (resid    7 and name hd1# )  4.25  0.73  0.62 
assign (resid    7 and name hb2  ) (resid    7 and name hd2# )  4.33  0.75  0.65 
assign (resid    7 and name hd1# ) (resid    7 and name hn   )  4.33  0.75  0.64 
assign (resid    7 and name hd2# ) (resid    7 and name hn   )  4.74  0.88  0.83 
assign (resid    7 and name hn   ) (resid    8 and name hn   )  2.51  0.21  0.27 
assign (resid    7 and name ha   ) (resid    8 and name hn   )  3.41  0.56  0.46 
assign (resid    7 and name hb1  ) (resid    8 and name hn   )  3.47  0.58  0.49 
assign (resid    8 and name hn   ) (resid   10 and name hn   )  3.86  0.71  0.75 
assign (resid    8 and name ha   ) (resid   10 and name hn   )  3.93  0.73  0.68 
assign (resid    8 and name hb#  ) (resid    8 and name hn   )  2.29  0.21  0.40 
assign (resid    8 and name ha   ) (resid    8 and name hn   )  2.52  0.28  0.24 
assign (resid    8 and name ha   ) (resid    8 and name hb#  )  2.97  0.42  0.54 
assign (resid    8 and name hb#  ) (resid    9 and name hn   )  3.40  0.56  0.66 
assign (resid    8 and name ha   ) (resid    9 and name hn   )  3.41  0.56  0.47 
assign (resid    9 and name ha   ) (resid   10 and name hn   )  3.63  0.73  0.55 
assign (resid    9 and name hn   ) (resid   11 and name hn   )  3.87  0.71  0.65 
assign (resid    9 and name hn   ) (resid    8 and name hn   )  2.47  0.27  0.33 
assign (resid    9 and name ha   ) (resid    9 and name hb1  )  2.51  0.28  0.24 
assign (resid    9 and name hb2  ) (resid    9 and name hn   )  2.50  0.31  0.26 
assign (resid    9 and name ha   ) (resid    9 and name hn   )  2.78  0.36  0.29 
assign (resid    9 and name ha   ) (resid    9 and name hb2  )  3.01  0.20  0.20 
assign (resid    9 and name hb1  ) (resid    9 and name hn   )  3.25  0.48  0.39 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ASP   1           HA       ASP   1  23.277   7.619  -3.898
    2    H1   ASP   1           H1       ASP   1  21.615   6.396  -5.055
    3    H2   ASP   1           H2       ASP   1  20.971   5.826  -3.642
    4    H3   ASP   1           H3       ASP   1  20.915   7.447  -3.972
    5    HB2  ASP   1           HB2      ASP   1  21.647   6.764  -1.514
    6    HB3  ASP   1           HB3      ASP   1  23.371   7.165  -1.335
    7    H    ALA   2           H        ALA   2  25.180   6.726  -4.113
    8    HA   ALA   2           HA       ALA   2  25.629   3.894  -4.122
    9    HB1  ALA   2           HB3      ALA   2  27.997   4.599  -4.361
   10    HB2  ALA   2           HB1      ALA   2  26.931   5.464  -5.481
   11    HB3  ALA   2           HB2      ALA   2  27.531   6.282  -4.022
   12    H    TYR   3           H        TYR   3  26.223   6.454  -1.632
   13    HA   TYR   3           HA       TYR   3  27.654   4.808   0.166
   14    HD1  TYR   3           HD1      TYR   3  26.607   5.414   3.289
   15    HD2  TYR   3           HD2      TYR   3  29.300   7.875   0.982
   16    HE1  TYR   3           HE1      TYR   3  28.356   5.178   5.045
   17    HE2  TYR   3           HE2      TYR   3  31.031   7.626   2.712
   18    HH   TYR   3           HH       TYR   3  31.635   6.447   4.622
   19    HB2  TYR   3           HB2      TYR   3  27.192   7.417   0.116
   20    HB3  TYR   3           HB3      TYR   3  25.880   7.012   1.210
   21    H    ALA   4           H        ALA   4  24.147   5.314  -0.157
   22    HA   ALA   4           HA       ALA   4  23.253   3.836   2.096
   23    HB1  ALA   4           HB3      ALA   4  21.158   3.598   0.797
   24    HB2  ALA   4           HB1      ALA   4  21.791   5.252   0.691
   25    HB3  ALA   4           HB2      ALA   4  21.992   4.132  -0.673
   26    H    GLN   5           H        GLN   5  24.011   2.736  -1.242
   27    HA   GLN   5           HA       GLN   5  23.534  -0.029  -0.673
   28    HB2  GLN   5           HB2      GLN   5  23.626   1.313  -2.927
   29    HB3  GLN   5           HB3      GLN   5  25.335   0.889  -2.923
   30    HG2  GLN   5           HG2      GLN   5  24.897  -1.383  -3.247
   31    HG3  GLN   5           HG3      GLN   5  23.368  -1.342  -2.374
   32   HE21  GLN   5          HE22      GLN   5  21.493  -0.087  -3.479
   33   HE22  GLN   5          HE21      GLN   5  21.487  -0.274  -5.238
   34    H    TRP   6           H        TRP   6  26.531   1.932  -0.742
   35    HA   TRP   6           HA       TRP   6  28.488   0.036  -0.224
   36    HD1  TRP   6           HD1      TRP   6  31.132   1.354  -0.957
   37    HE1  TRP   6           HE1      TRP   6  33.220   0.985   0.488
   38    HE3  TRP   6           HE3      TRP   6  29.219   2.809   3.550
   39    HZ2  TRP   6           HZ2      TRP   6  33.993   1.416   3.234
   40    HZ3  TRP   6           HZ3      TRP   6  30.691   2.941   5.549
   41    HH2  TRP   6           HH2      TRP   6  33.070   2.254   5.404
   42    HB2  TRP   6           HB2      TRP   6  28.799   2.512  -0.558
   43    HB3  TRP   6           HB3      TRP   6  28.292   2.767   1.107
   44    H    LEU   7           H        LEU   7  26.478   1.639   2.274
   45    HA   LEU   7           HA       LEU   7  27.424  -0.004   4.450
   46    HG   LEU   7           HG       LEU   7  27.003   2.932   4.210
   47    HB2  LEU   7           HB2      LEU   7  24.848   1.570   4.079
   48    HB3  LEU   7           HB3      LEU   7  25.319   0.797   5.593
   49   HD11  LEU   7          HD11      LEU   7  24.850   3.874   4.866
   50   HD12  LEU   7          HD12      LEU   7  25.016   3.188   6.501
   51   HD13  LEU   7          HD13      LEU   7  26.124   4.461   5.946
   52   HD21  LEU   7          HD23      LEU   7  28.098   3.127   6.420
   53   HD22  LEU   7          HD21      LEU   7  27.097   1.803   7.047
   54   HD23  LEU   7          HD22      LEU   7  28.299   1.498   5.774
   55    H    LYS   8           H        LYS   8  24.570  -0.418   2.287
   56    HA   LYS   8           HA       LYS   8  23.474  -2.725   3.581
   57    HB2  LYS   8           HB2      LYS   8  23.228  -1.511   0.847
   58    HB3  LYS   8           HB3      LYS   8  22.887  -3.225   0.955
   59    HG2  LYS   8           HG2      LYS   8  20.809  -2.185   1.237
   60    HG3  LYS   8           HG3      LYS   8  21.284  -2.758   2.840
   61    HD2  LYS   8           HD2      LYS   8  22.137  -0.401   3.312
   62    HD3  LYS   8           HD3      LYS   8  21.414   0.088   1.760
   63    HE2  LYS   8           HE2      LYS   8  19.204  -0.487   2.504
   64    HE3  LYS   8           HE3      LYS   8  19.831  -1.297   3.949
   65    HZ1  LYS   8           HZ3      LYS   8  19.004   0.932   4.446
   66    HZ2  LYS   8           HZ1      LYS   8  20.616   0.821   4.756
   67    HZ3  LYS   8           HZ2      LYS   8  20.096   1.600   3.408
   68    H    ASP   9           H        ASP   9  25.939  -2.622   0.983
   69    HA   ASP   9           HA       ASP   9  26.281  -5.473   0.871
   70    HB2  ASP   9           HB2      ASP   9  28.103  -3.148   0.151
   71    HB3  ASP   9           HB3      ASP   9  28.552  -4.825  -0.108
   72    H    GLY  10           H        GLY  10  27.248  -3.323   3.417
   73    HA2  GLY  10           HA2      GLY  10  28.056  -4.353   5.464
   74    HA3  GLY  10           HA3      GLY  10  29.134  -5.379   4.525
   75    H    GLY  11           H        GLY  11  29.114  -2.158   3.334
   76    HA2  GLY  11           HA2      GLY  11  30.684  -0.573   3.173
   77    HA3  GLY  11           HA3      GLY  11  30.615  -0.558   4.924
   78    HA   PRO  12           HA       PRO  12  35.055  -1.394   4.547
   79    HB2  PRO  12           HB2      PRO  12  34.733  -2.496   7.334
   80    HB3  PRO  12           HB3      PRO  12  35.943  -1.334   6.711
   81    HG2  PRO  12           HG2      PRO  12  33.840  -0.481   8.201
   82    HG3  PRO  12           HG3      PRO  12  34.368   0.450   6.761
   83    HD2  PRO  12           HD2      PRO  12  32.072  -1.512   6.993
   84    HD3  PRO  12           HD3      PRO  12  32.115   0.098   6.221
   85    H    SER  13           H        SER  13  32.738  -3.832   5.644
   86    HA   SER  13           HA       SER  13  34.370  -6.153   5.663
   87    HG   SER  13           HG       SER  13  31.283  -4.896   6.477
   88    HB2  SER  13           HB2      SER  13  31.469  -6.180   4.781
   89    HB3  SER  13           HB3      SER  13  32.358  -7.392   5.711
   90    H    SER  14           H        SER  14  32.569  -4.568   3.045
   91    HA   SER  14           HA       SER  14  32.935  -6.603   1.064
   92    HG   SER  14           HG       SER  14  30.149  -4.105   1.234
   93    HB2  SER  14           HB2      SER  14  32.268  -3.718   0.518
   94    HB3  SER  14           HB3      SER  14  31.601  -5.175  -0.246
   95    H    GLY  15           H        GLY  15  34.917  -3.979   2.125
   96    HA2  GLY  15           HA2      GLY  15  36.941  -3.157   1.454
   97    HA3  GLY  15           HA3      GLY  15  37.037  -4.455   0.267
   98    H    ARG  16           H        ARG  16  34.379  -3.184  -0.852
   99    HA   ARG  16           HA       ARG  16  35.379  -1.630  -2.962
  100    HE   ARG  16           HE       ARG  16  29.949  -0.927  -2.761
  101    HB2  ARG  16           HB2      ARG  16  33.058  -0.882  -3.354
  102    HB3  ARG  16           HB3      ARG  16  33.246  -2.616  -3.134
  103    HG2  ARG  16           HG2      ARG  16  32.615  -1.943  -0.576
  104    HG3  ARG  16           HG3      ARG  16  31.847  -0.606  -1.396
  105    HD2  ARG  16           HD2      ARG  16  31.392  -3.480  -2.253
  106    HD3  ARG  16           HD3      ARG  16  30.485  -2.756  -0.926
  107   HH11  ARG  16          HH11      ARG  16  29.943  -4.362  -3.261
  108   HH12  ARG  16          HH12      ARG  16  28.218  -4.410  -3.326
  109   HH21  ARG  16          HH21      ARG  16  27.838  -0.987  -3.615
  110   HH22  ARG  16          HH22      ARG  16  27.179  -2.551  -3.974
  111    HA   PRO  17           HA       PRO  17  36.660   2.124  -0.916
  112    HB2  PRO  17           HB2      PRO  17  36.131   3.335  -3.635
  113    HB3  PRO  17           HB3      PRO  17  37.533   3.573  -2.546
  114    HG2  PRO  17           HG2      PRO  17  37.714   1.891  -4.664
  115    HG3  PRO  17           HG3      PRO  17  38.407   1.416  -3.079
  116    HD2  PRO  17           HD2      PRO  17  35.783   0.566  -4.313
  117    HD3  PRO  17           HD3      PRO  17  37.004  -0.405  -3.429
  118    HA   PRO  18           HA       PRO  18  32.559   3.848  -0.067
  119    HB2  PRO  18           HB2      PRO  18  33.308   5.919   1.654
  120    HB3  PRO  18           HB3      PRO  18  33.012   4.228   2.123
  121    HG2  PRO  18           HG2      PRO  18  35.638   5.591   1.540
  122    HG3  PRO  18           HG3      PRO  18  35.257   4.404   2.829
  123    HD2  PRO  18           HD2      PRO  18  36.555   3.713   0.535
  124    HD3  PRO  18           HD3      PRO  18  35.402   2.595   1.328
  125    HA   PRO  19           HA       PRO  19  32.656   7.318  -2.940
  126    HB2  PRO  19           HB2      PRO  19  30.013   7.964  -3.009
  127    HB3  PRO  19           HB3      PRO  19  30.654   6.452  -3.722
  128    HG2  PRO  19           HG2      PRO  19  29.290   6.824  -1.053
  129    HG3  PRO  19           HG3      PRO  19  29.051   5.523  -2.254
  130    HD2  PRO  19           HD2      PRO  19  30.670   5.290  -0.023
  131    HD3  PRO  19           HD3      PRO  19  30.916   4.365  -1.536
  132    H    SER  20           H        SER  20  33.612   9.143  -2.241
  133    HA   SER  20           HA       SER  20  32.672  10.738   0.059
  134    HG   SER  20           HG       SER  20  36.049  11.058   0.092
  135    HB2  SER  20           HB2      SER  20  34.868  11.123  -2.011
  136    HB3  SER  20           HB3      SER  20  34.445  12.332  -0.780
  Start of MODEL    2
    1    HA   ASP   1           HA       ASP   1  23.639   7.619  -4.423
    2    H1   ASP   1           H1       ASP   1  21.892   6.256  -5.262
    3    H2   ASP   1           H2       ASP   1  21.291   6.000  -3.749
    4    H3   ASP   1           H3       ASP   1  21.248   7.516  -4.410
    5    HB2  ASP   1           HB2      ASP   1  21.930   7.989  -2.244
    6    HB3  ASP   1           HB3      ASP   1  23.236   6.989  -1.581
    7    H    ALA   2           H        ALA   2  25.588   6.558  -4.370
    8    HA   ALA   2           HA       ALA   2  25.570   3.661  -4.251
    9    HB1  ALA   2           HB3      ALA   2  28.010   3.926  -4.610
   10    HB2  ALA   2           HB1      ALA   2  27.056   4.872  -5.766
   11    HB3  ALA   2           HB2      ALA   2  27.847   5.685  -4.398
   12    H    TYR   3           H        TYR   3  26.365   6.237  -1.903
   13    HA   TYR   3           HA       TYR   3  27.808   4.617  -0.065
   14    HD1  TYR   3           HD1      TYR   3  26.867   5.354   3.005
   15    HD2  TYR   3           HD2      TYR   3  29.495   7.781   0.591
   16    HE1  TYR   3           HE1      TYR   3  28.571   5.338   4.818
   17    HE2  TYR   3           HE2      TYR   3  31.170   7.784   2.407
   18    HH   TYR   3           HH       TYR   3  31.495   7.296   4.671
   19    HB2  TYR   3           HB2      TYR   3  27.403   7.236  -0.249
   20    HB3  TYR   3           HB3      TYR   3  26.105   6.917   0.882
   21    H    ALA   4           H        ALA   4  24.318   5.190  -0.414
   22    HA   ALA   4           HA       ALA   4  23.376   3.899   1.933
   23    HB1  ALA   4           HB3      ALA   4  21.268   3.692   0.678
   24    HB2  ALA   4           HB1      ALA   4  21.991   5.289   0.407
   25    HB3  ALA   4           HB2      ALA   4  22.110   4.035  -0.846
   26    H    GLN   5           H        GLN   5  24.115   2.555  -1.315
   27    HA   GLN   5           HA       GLN   5  23.555  -0.152  -0.516
   28    HB2  GLN   5           HB2      GLN   5  23.764   1.021  -2.948
   29    HB3  GLN   5           HB3      GLN   5  25.401   0.380  -2.818
   30    HG2  GLN   5           HG2      GLN   5  24.185  -1.350  -3.866
   31    HG3  GLN   5           HG3      GLN   5  24.249  -1.889  -2.187
   32   HE21  GLN   5          HE22      GLN   5  22.172  -1.703  -0.882
   33   HE22  GLN   5          HE21      GLN   5  20.686  -1.455  -1.814
   34    H    TRP   6           H        TRP   6  26.553   1.780  -0.674
   35    HA   TRP   6           HA       TRP   6  28.465  -0.188  -0.051
   36    HD1  TRP   6           HD1      TRP   6  31.149   0.983  -1.069
   37    HE1  TRP   6           HE1      TRP   6  33.328   0.812   0.297
   38    HE3  TRP   6           HE3      TRP   6  29.411   2.650   3.451
   39    HZ2  TRP   6           HZ2      TRP   6  34.173   1.257   2.996
   40    HZ3  TRP   6           HZ3      TRP   6  30.948   2.816   5.396
   41    HH2  TRP   6           HH2      TRP   6  33.323   2.133   5.180
   42    HB2  TRP   6           HB2      TRP   6  28.852   2.237  -0.636
   43    HB3  TRP   6           HB3      TRP   6  28.444   2.647   1.024
   44    H    LEU   7           H        LEU   7  26.570   1.745   2.332
   45    HA   LEU   7           HA       LEU   7  27.466   0.210   4.604
   46    HG   LEU   7           HG       LEU   7  27.189   3.134   4.183
   47    HB2  LEU   7           HB2      LEU   7  24.966   1.881   4.159
   48    HB3  LEU   7           HB3      LEU   7  25.412   1.184   5.717
   49   HD11  LEU   7          HD11      LEU   7  25.090   4.224   4.814
   50   HD12  LEU   7          HD12      LEU   7  25.258   3.637   6.484
   51   HD13  LEU   7          HD13      LEU   7  26.414   4.815   5.831
   52   HD21  LEU   7          HD23      LEU   7  28.323   3.413   6.366
   53   HD22  LEU   7          HD21      LEU   7  27.269   2.181   7.084
   54   HD23  LEU   7          HD22      LEU   7  28.436   1.740   5.819
   55    H    LYS   8           H        LYS   8  24.551  -0.224   2.542
   56    HA   LYS   8           HA       LYS   8  23.353  -2.349   3.970
   57    HB2  LYS   8           HB2      LYS   8  22.224  -1.104   2.236
   58    HB3  LYS   8           HB3      LYS   8  23.337  -1.684   1.003
   59    HG2  LYS   8           HG2      LYS   8  21.735  -3.703   2.568
   60    HG3  LYS   8           HG3      LYS   8  20.920  -2.758   1.330
   61    HD2  LYS   8           HD2      LYS   8  22.025  -3.734  -0.430
   62    HD3  LYS   8           HD3      LYS   8  23.500  -4.008   0.458
   63    HE2  LYS   8           HE2      LYS   8  21.238  -5.583   1.516
   64    HE3  LYS   8           HE3      LYS   8  21.541  -5.889  -0.202
   65    HZ1  LYS   8           HZ3      LYS   8  22.929  -7.347   1.108
   66    HZ2  LYS   8           HZ1      LYS   8  23.919  -6.223   0.391
   67    HZ3  LYS   8           HZ2      LYS   8  23.551  -6.052   1.968
   68    H    ASP   9           H        ASP   9  26.127  -2.558   1.823
   69    HA   ASP   9           HA       ASP   9  26.123  -5.530   2.036
   70    HB2  ASP   9           HB2      ASP   9  27.743  -3.600   0.361
   71    HB3  ASP   9           HB3      ASP   9  27.987  -5.356   0.380
   72    H    GLY  10           H        GLY  10  26.804  -3.481   4.281
   73    HA2  GLY  10           HA2      GLY  10  27.850  -4.067   6.288
   74    HA3  GLY  10           HA3      GLY  10  28.870  -5.239   5.454
   75    H    GLY  11           H        GLY  11  28.627  -2.055   4.073
   76    HA2  GLY  11           HA2      GLY  11  30.102  -0.378   3.710
   77    HA3  GLY  11           HA3      GLY  11  30.477  -0.481   5.419
   78    HA   PRO  12           HA       PRO  12  34.642  -1.450   3.886
   79    HB2  PRO  12           HB2      PRO  12  34.930  -2.666   6.628
   80    HB3  PRO  12           HB3      PRO  12  36.024  -1.536   5.774
   81    HG2  PRO  12           HG2      PRO  12  34.383  -0.661   7.754
   82    HG3  PRO  12           HG3      PRO  12  34.616   0.317   6.267
   83    HD2  PRO  12           HD2      PRO  12  32.325  -1.530   6.969
   84    HD3  PRO  12           HD3      PRO  12  32.287   0.107   6.251
   85    H    SER  13           H        SER  13  32.534  -3.844   5.421
   86    HA   SER  13           HA       SER  13  33.906  -6.256   4.972
   87    HG   SER  13           HG       SER  13  31.210  -4.906   6.464
   88    HB2  SER  13           HB2      SER  13  30.914  -5.927   4.577
   89    HB3  SER  13           HB3      SER  13  31.795  -7.348   5.153
   90    H    SER  14           H        SER  14  32.186  -4.217   2.719
   91    HA   SER  14           HA       SER  14  31.941  -6.025   0.506
   92    HG   SER  14           HG       SER  14  30.926  -2.956   1.863
   93    HB2  SER  14           HB2      SER  14  32.251  -3.048   0.194
   94    HB3  SER  14           HB3      SER  14  31.187  -4.163  -0.687
   95    H    GLY  15           H        GLY  15  34.721  -4.301   1.757
   96    HA2  GLY  15           HA2      GLY  15  36.843  -3.982   1.002
   97    HA3  GLY  15           HA3      GLY  15  36.542  -5.238  -0.197
   98    H    ARG  16           H        ARG  16  34.541  -2.393  -0.376
   99    HA   ARG  16           HA       ARG  16  36.026  -1.500  -2.798
  100    HE   ARG  16           HE       ARG  16  30.018  -1.967  -1.723
  101    HB2  ARG  16           HB2      ARG  16  33.642  -0.456  -3.351
  102    HB3  ARG  16           HB3      ARG  16  34.146  -2.072  -3.830
  103    HG2  ARG  16           HG2      ARG  16  32.959  -3.029  -1.893
  104    HG3  ARG  16           HG3      ARG  16  32.389  -1.408  -1.435
  105    HD2  ARG  16           HD2      ARG  16  31.735  -1.808  -4.183
  106    HD3  ARG  16           HD3      ARG  16  31.402  -3.347  -3.398
  107   HH11  ARG  16          HH11      ARG  16  30.244  -1.133  -5.112
  108   HH12  ARG  16          HH12      ARG  16  28.669  -0.395  -5.162
  109   HH21  ARG  16          HH21      ARG  16  27.909  -1.148  -1.877
  110   HH22  ARG  16          HH22      ARG  16  27.446  -0.302  -3.318
  111    HA   PRO  17           HA       PRO  17  36.932   2.348  -0.831
  112    HB2  PRO  17           HB2      PRO  17  36.429   3.546  -3.560
  113    HB3  PRO  17           HB3      PRO  17  37.786   3.840  -2.430
  114    HG2  PRO  17           HG2      PRO  17  38.105   2.182  -4.548
  115    HG3  PRO  17           HG3      PRO  17  38.772   1.729  -2.946
  116    HD2  PRO  17           HD2      PRO  17  36.222   0.774  -4.258
  117    HD3  PRO  17           HD3      PRO  17  37.465  -0.148  -3.356
  118    HA   PRO  18           HA       PRO  18  32.734   3.847  -0.081
  119    HB2  PRO  18           HB2      PRO  18  33.281   5.873   1.739
  120    HB3  PRO  18           HB3      PRO  18  33.157   4.139   2.131
  121    HG2  PRO  18           HG2      PRO  18  35.645   5.771   1.596
  122    HG3  PRO  18           HG3      PRO  18  35.369   4.548   2.879
  123    HD2  PRO  18           HD2      PRO  18  36.726   3.972   0.593
  124    HD3  PRO  18           HD3      PRO  18  35.648   2.764   1.360
  125    HA   PRO  19           HA       PRO  19  32.835   7.285  -2.986
  126    HB2  PRO  19           HB2      PRO  19  30.181   7.646  -3.423
  127    HB3  PRO  19           HB3      PRO  19  31.042   6.165  -3.937
  128    HG2  PRO  19           HG2      PRO  19  29.379   6.568  -1.437
  129    HG3  PRO  19           HG3      PRO  19  29.315   5.209  -2.599
  130    HD2  PRO  19           HD2      PRO  19  30.737   5.110  -0.249
  131    HD3  PRO  19           HD3      PRO  19  31.234   4.228  -1.727
  132    H    SER  20           H        SER  20  33.847   8.642  -1.415
  133    HA   SER  20           HA       SER  20  32.195  10.626   0.090
  134    HG   SER  20           HG       SER  20  33.782   8.852   0.954
  135    HB2  SER  20           HB2      SER  20  35.211  10.368  -0.283
  136    HB3  SER  20           HB3      SER  20  34.392  11.568   0.747
  Start of MODEL    3
    1    HA   ASP   1           HA       ASP   1  25.902   8.432  -4.329
    2    H1   ASP   1           H1       ASP   1  24.279   8.610  -6.047
    3    H2   ASP   1           H2       ASP   1  23.061   8.780  -4.948
    4    H3   ASP   1           H3       ASP   1  24.225   9.954  -5.067
    5    HB2  ASP   1           HB2      ASP   1  23.551   9.255  -2.656
    6    HB3  ASP   1           HB3      ASP   1  24.798   8.215  -1.925
    7    H    ALA   2           H        ALA   2  26.582   6.480  -3.748
    8    HA   ALA   2           HA       ALA   2  24.680   4.189  -3.898
    9    HB1  ALA   2           HB3      ALA   2  26.615   2.880  -4.622
   10    HB2  ALA   2           HB1      ALA   2  26.379   4.284  -5.671
   11    HB3  ALA   2           HB2      ALA   2  27.672   4.303  -4.458
   12    H    TYR   3           H        TYR   3  25.627   6.011  -1.541
   13    HA   TYR   3           HA       TYR   3  27.182   4.486   0.259
   14    HD1  TYR   3           HD2      TYR   3  25.746   5.226   3.416
   15    HD2  TYR   3           HD1      TYR   3  28.647   7.388   1.053
   16    HE1  TYR   3           HE2      TYR   3  27.367   5.165   5.316
   17    HE2  TYR   3           HE1      TYR   3  30.249   7.300   2.930
   18    HH   TYR   3           HH       TYR   3  30.711   6.185   4.947
   19    HB2  TYR   3           HB2      TYR   3  26.479   7.036   0.200
   20    HB3  TYR   3           HB3      TYR   3  25.149   6.505   1.217
   21    H    ALA   4           H        ALA   4  23.637   4.690  -0.130
   22    HA   ALA   4           HA       ALA   4  22.813   3.091   2.048
   23    HB1  ALA   4           HB3      ALA   4  20.802   2.664   0.663
   24    HB2  ALA   4           HB1      ALA   4  21.271   4.372   0.612
   25    HB3  ALA   4           HB2      ALA   4  21.635   3.309  -0.766
   26    H    GLN   5           H        GLN   5  23.790   2.080  -1.258
   27    HA   GLN   5           HA       GLN   5  23.581  -0.739  -0.736
   28    HB2  GLN   5           HB2      GLN   5  23.712   0.560  -3.032
   29    HB3  GLN   5           HB3      GLN   5  25.458   0.434  -2.796
   30    HG2  GLN   5           HG2      GLN   5  24.737  -2.161  -2.269
   31    HG3  GLN   5           HG3      GLN   5  23.408  -1.695  -3.330
   32   HE21  GLN   5          HE22      GLN   5  26.711  -2.824  -3.215
   33   HE22  GLN   5          HE21      GLN   5  26.935  -2.585  -4.963
   34    H    TRP   6           H        TRP   6  26.324   1.582  -0.576
   35    HA   TRP   6           HA       TRP   6  28.425  -0.229  -0.009
   36    HD1  TRP   6           HD1      TRP   6  31.001   0.883  -0.716
   37    HE1  TRP   6           HE1      TRP   6  33.102   0.902   0.768
   38    HE3  TRP   6           HE3      TRP   6  28.962   2.872   3.546
   39    HZ2  TRP   6           HZ2      TRP   6  33.827   1.809   3.376
   40    HZ3  TRP   6           HZ3      TRP   6  30.393   3.280   5.532
   41    HH2  TRP   6           HH2      TRP   6  32.825   2.779   5.456
   42    HB2  TRP   6           HB2      TRP   6  28.616   2.257  -0.479
   43    HB3  TRP   6           HB3      TRP   6  28.083   2.555   1.162
   44    H    LEU   7           H        LEU   7  26.229   1.381   2.345
   45    HA   LEU   7           HA       LEU   7  27.219  -0.084   4.628
   46    HG   LEU   7           HG       LEU   7  26.424   2.817   4.322
   47    HB2  LEU   7           HB2      LEU   7  24.521   1.200   4.042
   48    HB3  LEU   7           HB3      LEU   7  24.936   0.474   5.595
   49   HD11  LEU   7          HD11      LEU   7  24.144   3.409   5.037
   50   HD12  LEU   7          HD12      LEU   7  24.450   2.707   6.643
   51   HD13  LEU   7          HD13      LEU   7  25.344   4.144   6.111
   52   HD21  LEU   7          HD23      LEU   7  27.418   3.044   6.629
   53   HD22  LEU   7          HD21      LEU   7  26.711   1.470   7.046
   54   HD23  LEU   7          HD22      LEU   7  27.952   1.598   5.777
   55    H    LYS   8           H        LYS   8  24.550  -0.829   2.358
   56    HA   LYS   8           HA       LYS   8  23.642  -3.180   3.624
   57    HB2  LYS   8           HB2      LYS   8  22.811  -1.704   1.538
   58    HB3  LYS   8           HB3      LYS   8  23.562  -2.997   0.608
   59    HG2  LYS   8           HG2      LYS   8  22.060  -4.631   1.533
   60    HG3  LYS   8           HG3      LYS   8  21.598  -3.555   2.864
   61    HD2  LYS   8           HD2      LYS   8  20.624  -1.965   1.074
   62    HD3  LYS   8           HD3      LYS   8  20.851  -3.292  -0.071
   63    HE2  LYS   8           HE2      LYS   8  18.615  -3.517   0.645
   64    HE3  LYS   8           HE3      LYS   8  19.495  -4.739   1.578
   65    HZ1  LYS   8           HZ3      LYS   8  18.013  -3.480   3.001
   66    HZ2  LYS   8           HZ1      LYS   8  19.564  -3.127   3.420
   67    HZ3  LYS   8           HZ2      LYS   8  18.686  -2.052   2.542
   68    H    ASP   9           H        ASP   9  26.223  -2.881   1.205
   69    HA   ASP   9           HA       ASP   9  26.854  -5.689   1.015
   70    HB2  ASP   9           HB2      ASP   9  28.501  -3.169   0.532
   71    HB3  ASP   9           HB3      ASP   9  29.079  -4.798   0.192
   72    H    GLY  10           H        GLY  10  27.406  -3.505   3.641
   73    HA2  GLY  10           HA2      GLY  10  28.162  -4.484   5.744
   74    HA3  GLY  10           HA3      GLY  10  29.434  -5.344   4.882
   75    H    GLY  11           H        GLY  11  28.853  -1.984   3.963
   76    HA2  GLY  11           HA2      GLY  11  30.025  -0.064   4.268
   77    HA3  GLY  11           HA3      GLY  11  30.545  -0.653   5.848
   78    HA   PRO  12           HA       PRO  12  34.383  -0.761   3.368
   79    HB2  PRO  12           HB2      PRO  12  36.229  -0.790   5.371
   80    HB3  PRO  12           HB3      PRO  12  35.295   0.669   4.934
   81    HG2  PRO  12           HG2      PRO  12  34.796  -1.249   7.215
   82    HG3  PRO  12           HG3      PRO  12  34.732   0.541   7.220
   83    HD2  PRO  12           HD2      PRO  12  32.517  -1.126   6.959
   84    HD3  PRO  12           HD3      PRO  12  32.576   0.551   6.352
   85    H    SER  13           H        SER  13  33.036  -3.190   5.387
   86    HA   SER  13           HA       SER  13  35.084  -5.082   5.646
   87    HG   SER  13           HG       SER  13  31.875  -4.348   6.682
   88    HB2  SER  13           HB2      SER  13  32.181  -5.848   5.213
   89    HB3  SER  13           HB3      SER  13  33.406  -6.657   6.202
   90    H    SER  14           H        SER  14  32.870  -4.576   2.899
   91    HA   SER  14           HA       SER  14  33.581  -6.902   1.416
   92    HG   SER  14           HG       SER  14  30.694  -5.996   1.556
   93    HB2  SER  14           HB2      SER  14  32.530  -4.357   0.189
   94    HB3  SER  14           HB3      SER  14  32.095  -6.031  -0.192
   95    H    GLY  15           H        GLY  15  35.557  -4.230   2.050
   96    HA2  GLY  15           HA2      GLY  15  37.584  -3.620   1.137
   97    HA3  GLY  15           HA3      GLY  15  37.385  -4.838  -0.122
   98    H    ARG  16           H        ARG  16  34.738  -2.681   0.042
   99    HA   ARG  16           HA       ARG  16  35.563  -1.372  -2.488
  100    HE   ARG  16           HE       ARG  16  31.079   1.168  -3.634
  101    HB2  ARG  16           HB2      ARG  16  33.431  -2.586  -2.445
  102    HB3  ARG  16           HB3      ARG  16  32.871  -1.609  -1.079
  103    HG2  ARG  16           HG2      ARG  16  32.934   0.419  -2.493
  104    HG3  ARG  16           HG3      ARG  16  33.495  -0.538  -3.872
  105    HD2  ARG  16           HD2      ARG  16  31.424  -1.388  -4.297
  106    HD3  ARG  16           HD3      ARG  16  31.041  -1.591  -2.582
  107   HH11  ARG  16          HH11      ARG  16  28.960  -1.548  -2.603
  108   HH12  ARG  16          HH12      ARG  16  27.620  -0.529  -2.455
  109   HH21  ARG  16          HH21      ARG  16  29.275   2.412  -3.336
  110   HH22  ARG  16          HH22      ARG  16  27.792   1.734  -2.735
  111    HA   PRO  17           HA       PRO  17  36.258   2.387  -0.134
  112    HB2  PRO  17           HB2      PRO  17  36.427   4.248  -2.163
  113    HB3  PRO  17           HB3      PRO  17  37.726   3.092  -1.743
  114    HG2  PRO  17           HG2      PRO  17  35.664   2.870  -3.943
  115    HG3  PRO  17           HG3      PRO  17  37.420   2.520  -4.018
  116    HD2  PRO  17           HD2      PRO  17  35.514   0.578  -3.693
  117    HD3  PRO  17           HD3      PRO  17  37.145   0.437  -2.976
  118    HA   PRO  18           HA       PRO  18  32.087   3.940   0.235
  119    HB2  PRO  18           HB2      PRO  18  32.495   6.275   1.670
  120    HB3  PRO  18           HB3      PRO  18  32.509   4.633   2.368
  121    HG2  PRO  18           HG2      PRO  18  34.862   6.325   1.502
  122    HG3  PRO  18           HG3      PRO  18  34.685   5.343   2.992
  123    HD2  PRO  18           HD2      PRO  18  36.069   4.456   0.818
  124    HD3  PRO  18           HD3      PRO  18  35.101   3.338   1.827
  125    HA   PRO  19           HA       PRO  19  31.977   6.980  -3.120
  126    HB2  PRO  19           HB2      PRO  19  29.296   7.208  -3.474
  127    HB3  PRO  19           HB3      PRO  19  30.180   5.706  -3.890
  128    HG2  PRO  19           HG2      PRO  19  28.581   6.297  -1.385
  129    HG3  PRO  19           HG3      PRO  19  28.570   4.817  -2.396
  130    HD2  PRO  19           HD2      PRO  19  30.048   5.090  -0.077
  131    HD3  PRO  19           HD3      PRO  19  30.505   4.003  -1.424
  132    H    SER  20           H        SER  20  32.065   9.178  -3.119
  133    HA   SER  20           HA       SER  20  30.434  10.936  -1.486
  134    HG   SER  20           HG       SER  20  32.619  11.125   1.116
  135    HB2  SER  20           HB2      SER  20  33.359  10.401  -0.973
  136    HB3  SER  20           HB3      SER  20  32.800  12.086  -0.952
  Start of MODEL    4
    1    HA   ASP   1           HA       ASP   1  22.723   7.589  -3.551
    2    H1   ASP   1           H1       ASP   1  24.609   8.733  -4.415
    3    H2   ASP   1           H2       ASP   1  24.160   8.422  -5.973
    4    H3   ASP   1           H3       ASP   1  23.240   9.413  -5.030
    5    HB2  ASP   1           HB2      ASP   1  21.317   8.335  -5.535
    6    HB3  ASP   1           HB3      ASP   1  21.934   6.926  -6.401
    7    H    ALA   2           H        ALA   2  24.741   6.617  -2.862
    8    HA   ALA   2           HA       ALA   2  25.145   3.941  -4.014
    9    HB1  ALA   2           HB3      ALA   2  27.603   4.274  -4.290
   10    HB2  ALA   2           HB1      ALA   2  26.639   5.237  -5.418
   11    HB3  ALA   2           HB2      ALA   2  27.378   6.018  -4.008
   12    H    TYR   3           H        TYR   3  26.154   6.304  -1.480
   13    HA   TYR   3           HA       TYR   3  27.444   4.557   0.230
   14    HD1  TYR   3           HD2      TYR   3  26.472   5.095   3.378
   15    HD2  TYR   3           HD1      TYR   3  29.142   7.618   1.098
   16    HE1  TYR   3           HE2      TYR   3  28.163   4.982   5.198
   17    HE2  TYR   3           HE1      TYR   3  30.797   7.518   2.921
   18    HH   TYR   3           HH       TYR   3  31.001   7.006   5.248
   19    HB2  TYR   3           HB2      TYR   3  27.003   7.170   0.259
   20    HB3  TYR   3           HB3      TYR   3  25.715   6.742   1.367
   21    H    ALA   4           H        ALA   4  23.942   5.018  -0.106
   22    HA   ALA   4           HA       ALA   4  22.986   3.486   2.071
   23    HB1  ALA   4           HB3      ALA   4  20.978   3.206   0.617
   24    HB2  ALA   4           HB1      ALA   4  21.557   4.881   0.643
   25    HB3  ALA   4           HB2      ALA   4  21.892   3.848  -0.763
   26    H    GLN   5           H        GLN   5  23.971   2.413  -1.225
   27    HA   GLN   5           HA       GLN   5  23.507  -0.387  -0.677
   28    HB2  GLN   5           HB2      GLN   5  23.694   0.874  -2.995
   29    HB3  GLN   5           HB3      GLN   5  25.425   0.574  -2.791
   30    HG2  GLN   5           HG2      GLN   5  24.597  -1.920  -2.270
   31    HG3  GLN   5           HG3      GLN   5  23.143  -1.395  -3.120
   32   HE21  GLN   5          HE22      GLN   5  24.098   0.111  -5.333
   33   HE22  GLN   5          HE21      GLN   5  25.200  -0.980  -6.191
   34    H    TRP   6           H        TRP   6  26.387   1.757  -0.662
   35    HA   TRP   6           HA       TRP   6  28.420  -0.044  -0.090
   36    HD1  TRP   6           HD1      TRP   6  30.978   1.338  -0.887
   37    HE1  TRP   6           HE1      TRP   6  33.103   1.068   0.520
   38    HE3  TRP   6           HE3      TRP   6  29.082   2.697   3.663
   39    HZ2  TRP   6           HZ2      TRP   6  33.913   1.551   3.249
   40    HZ3  TRP   6           HZ3      TRP   6  30.580   2.888   5.636
   41    HH2  TRP   6           HH2      TRP   6  32.990   2.331   5.440
   42    HB2  TRP   6           HB2      TRP   6  28.616   2.446  -0.444
   43    HB3  TRP   6           HB3      TRP   6  28.135   2.674   1.236
   44    H    LEU   7           H        LEU   7  26.329   1.504   2.384
   45    HA   LEU   7           HA       LEU   7  27.304  -0.118   4.571
   46    HG   LEU   7           HG       LEU   7  26.878   2.796   4.389
   47    HB2  LEU   7           HB2      LEU   7  24.724   1.441   4.171
   48    HB3  LEU   7           HB3      LEU   7  25.151   0.644   5.685
   49   HD11  LEU   7          HD11      LEU   7  24.699   3.725   4.996
   50   HD12  LEU   7          HD12      LEU   7  24.821   3.016   6.623
   51   HD13  LEU   7          HD13      LEU   7  25.941   4.300   6.121
   52   HD21  LEU   7          HD23      LEU   7  27.894   2.955   6.647
   53   HD22  LEU   7          HD21      LEU   7  26.881   1.610   7.205
   54   HD23  LEU   7          HD22      LEU   7  28.129   1.344   5.968
   55    H    LYS   8           H        LYS   8  24.543  -0.637   2.315
   56    HA   LYS   8           HA       LYS   8  23.431  -2.901   3.645
   57    HB2  LYS   8           HB2      LYS   8  23.447  -1.979   0.760
   58    HB3  LYS   8           HB3      LYS   8  22.770  -3.529   1.144
   59    HG2  LYS   8           HG2      LYS   8  21.775  -1.289   2.857
   60    HG3  LYS   8           HG3      LYS   8  21.393  -1.172   1.140
   61    HD2  LYS   8           HD2      LYS   8  19.590  -2.298   2.263
   62    HD3  LYS   8           HD3      LYS   8  20.373  -3.419   1.158
   63    HE2  LYS   8           HE2      LYS   8  21.496  -3.466   3.912
   64    HE3  LYS   8           HE3      LYS   8  19.774  -3.832   3.865
   65    HZ1  LYS   8           HZ3      LYS   8  21.062  -5.836   3.639
   66    HZ2  LYS   8           HZ1      LYS   8  20.258  -5.569   2.233
   67    HZ3  LYS   8           HZ2      LYS   8  21.879  -5.263   2.343
   68    H    ASP   9           H        ASP   9  26.181  -2.810   1.411
   69    HA   ASP   9           HA       ASP   9  26.524  -5.717   1.399
   70    HB2  ASP   9           HB2      ASP   9  28.501  -3.502   0.748
   71    HB3  ASP   9           HB3      ASP   9  28.687  -5.216   0.358
   72    H    GLY  10           H        GLY  10  27.125  -3.400   3.843
   73    HA2  GLY  10           HA2      GLY  10  27.937  -4.014   5.996
   74    HA3  GLY  10           HA3      GLY  10  29.034  -5.184   5.281
   75    H    GLY  11           H        GLY  11  29.088  -2.209   3.526
   76    HA2  GLY  11           HA2      GLY  11  30.616  -0.570   3.289
   77    HA3  GLY  11           HA3      GLY  11  30.628  -0.483   5.042
   78    HA   PRO  12           HA       PRO  12  35.002  -1.307   4.447
   79    HB2  PRO  12           HB2      PRO  12  34.924  -2.330   7.279
   80    HB3  PRO  12           HB3      PRO  12  36.048  -1.155   6.530
   81    HG2  PRO  12           HG2      PRO  12  34.033  -0.313   8.141
   82    HG3  PRO  12           HG3      PRO  12  34.429   0.583   6.638
   83    HD2  PRO  12           HD2      PRO  12  32.219  -1.429   7.103
   84    HD3  PRO  12           HD3      PRO  12  32.156   0.149   6.273
   85    H    SER  13           H        SER  13  32.859  -3.878   5.699
   86    HA   SER  13           HA       SER  13  34.662  -6.062   5.731
   87    HG   SER  13           HG       SER  13  31.139  -6.529   4.239
   88    HB2  SER  13           HB2      SER  13  32.626  -7.453   5.511
   89    HB3  SER  13           HB3      SER  13  32.407  -6.145   6.688
   90    H    SER  14           H        SER  14  32.784  -4.702   3.089
   91    HA   SER  14           HA       SER  14  33.465  -6.766   1.157
   92    HG   SER  14           HG       SER  14  30.984  -4.296   1.905
   93    HB2  SER  14           HB2      SER  14  32.445  -4.049   0.385
   94    HB3  SER  14           HB3      SER  14  32.049  -5.631  -0.303
   95    H    GLY  15           H        GLY  15  35.110  -3.939   2.221
   96    HA2  GLY  15           HA2      GLY  15  36.986  -2.835   1.533
   97    HA3  GLY  15           HA3      GLY  15  37.268  -4.130   0.372
   98    H    ARG  16           H        ARG  16  34.377  -3.105  -0.634
   99    HA   ARG  16           HA       ARG  16  35.171  -1.647  -2.888
  100    HE   ARG  16           HE       ARG  16  28.813  -2.214  -1.195
  101    HB2  ARG  16           HB2      ARG  16  32.805  -1.058  -3.197
  102    HB3  ARG  16           HB3      ARG  16  33.102  -2.758  -2.859
  103    HG2  ARG  16           HG2      ARG  16  32.512  -1.987  -0.342
  104    HG3  ARG  16           HG3      ARG  16  31.691  -0.692  -1.181
  105    HD2  ARG  16           HD2      ARG  16  31.094  -3.379  -2.326
  106    HD3  ARG  16           HD3      ARG  16  30.704  -3.240  -0.624
  107   HH11  ARG  16          HH11      ARG  16  30.824  -1.680  -3.995
  108   HH12  ARG  16          HH12      ARG  16  29.438  -1.110  -4.907
  109   HH21  ARG  16          HH21      ARG  16  27.332  -1.831  -2.325
  110   HH22  ARG  16          HH22      ARG  16  27.367  -1.297  -3.953
  111    HA   PRO  17           HA       PRO  17  36.450   2.235  -1.126
  112    HB2  PRO  17           HB2      PRO  17  35.729   3.298  -3.863
  113    HB3  PRO  17           HB3      PRO  17  37.180   3.633  -2.867
  114    HG2  PRO  17           HG2      PRO  17  37.302   1.849  -4.902
  115    HG3  PRO  17           HG3      PRO  17  38.090   1.477  -3.334
  116    HD2  PRO  17           HD2      PRO  17  35.437   0.485  -4.386
  117    HD3  PRO  17           HD3      PRO  17  36.729  -0.399  -3.512
  118    HA   PRO  18           HA       PRO  18  32.363   3.876  -0.096
  119    HB2  PRO  18           HB2      PRO  18  33.114   5.970   1.568
  120    HB3  PRO  18           HB3      PRO  18  32.964   4.266   2.063
  121    HG2  PRO  18           HG2      PRO  18  35.453   5.777   1.261
  122    HG3  PRO  18           HG3      PRO  18  35.238   4.620   2.614
  123    HD2  PRO  18           HD2      PRO  18  36.397   3.906   0.255
  124    HD3  PRO  18           HD3      PRO  18  35.358   2.764   1.163
  125    HA   PRO  19           HA       PRO  19  32.276   7.245  -3.090
  126    HB2  PRO  19           HB2      PRO  19  29.618   7.854  -3.049
  127    HB3  PRO  19           HB3      PRO  19  30.255   6.345  -3.773
  128    HG2  PRO  19           HG2      PRO  19  29.012   6.724  -1.047
  129    HG3  PRO  19           HG3      PRO  19  28.738   5.403  -2.222
  130    HD2  PRO  19           HD2      PRO  19  30.452   5.210  -0.073
  131    HD3  PRO  19           HD3      PRO  19  30.661   4.288  -1.593
  132    H    SER  20           H        SER  20  33.011   9.276  -2.677
  133    HA   SER  20           HA       SER  20  31.787  10.992  -0.609
  134    HG   SER  20           HG       SER  20  33.000   9.164   0.379
  135    HB2  SER  20           HB2      SER  20  34.778  10.439  -0.868
  136    HB3  SER  20           HB3      SER  20  34.042  11.708   0.142
  Start of MODEL    5
    1    HA   ASP   1           HA       ASP   1  24.654   8.218  -4.665
    2    H1   ASP   1           H1       ASP   1  26.457   9.093  -3.397
    3    H2   ASP   1           H2       ASP   1  27.542   8.756  -4.587
    4    H3   ASP   1           H3       ASP   1  26.372   9.897  -4.857
    5    HB2  ASP   1           HB2      ASP   1  26.764   8.100  -6.835
    6    HB3  ASP   1           HB3      ASP   1  25.243   7.189  -6.935
    7    H    ALA   2           H        ALA   2  24.188   5.887  -4.949
    8    HA   ALA   2           HA       ALA   2  24.215   3.783  -4.204
    9    HB1  ALA   2           HB3      ALA   2  26.079   2.430  -4.893
   10    HB2  ALA   2           HB1      ALA   2  25.804   3.704  -6.094
   11    HB3  ALA   2           HB2      ALA   2  27.153   3.843  -4.944
   12    H    TYR   3           H        TYR   3  25.693   5.922  -2.193
   13    HA   TYR   3           HA       TYR   3  27.170   4.495  -0.368
   14    HD1  TYR   3           HD2      TYR   3  26.557   5.158   2.714
   15    HD2  TYR   3           HD1      TYR   3  28.442   7.970   0.036
   16    HE1  TYR   3           HE2      TYR   3  28.454   5.419   4.301
   17    HE2  TYR   3           HE1      TYR   3  30.309   8.238   1.612
   18    HH   TYR   3           HH       TYR   3  31.097   7.720   3.719
   19    HB2  TYR   3           HB2      TYR   3  26.425   7.053  -0.581
   20    HB3  TYR   3           HB3      TYR   3  25.310   6.608   0.695
   21    H    ALA   4           H        ALA   4  23.598   4.700  -0.390
   22    HA   ALA   4           HA       ALA   4  23.073   3.352   2.050
   23    HB1  ALA   4           HB3      ALA   4  20.886   2.818   1.008
   24    HB2  ALA   4           HB1      ALA   4  21.343   4.512   0.753
   25    HB3  ALA   4           HB2      ALA   4  21.508   3.336  -0.573
   26    H    GLN   5           H        GLN   5  23.720   2.012  -1.217
   27    HA   GLN   5           HA       GLN   5  23.448  -0.744  -0.425
   28    HB2  GLN   5           HB2      GLN   5  23.474   0.447  -2.842
   29    HB3  GLN   5           HB3      GLN   5  25.197   0.091  -2.736
   30    HG2  GLN   5           HG2      GLN   5  24.239  -1.782  -3.829
   31    HG3  GLN   5           HG3      GLN   5  24.497  -2.344  -2.174
   32   HE21  GLN   5          HE22      GLN   5  22.615  -3.054  -0.988
   33   HE22  GLN   5          HE21      GLN   5  21.002  -2.837  -1.707
   34    H    TRP   6           H        TRP   6  26.230   1.498  -0.746
   35    HA   TRP   6           HA       TRP   6  28.335  -0.242  -0.075
   36    HD1  TRP   6           HD1      TRP   6  30.931   1.060  -1.070
   37    HE1  TRP   6           HE1      TRP   6  33.073   0.987   0.368
   38    HE3  TRP   6           HE3      TRP   6  28.986   2.767   3.333
   39    HZ2  TRP   6           HZ2      TRP   6  33.826   1.620   3.067
   40    HZ3  TRP   6           HZ3      TRP   6  30.458   3.109   5.308
   41    HH2  TRP   6           HH2      TRP   6  32.872   2.559   5.181
   42    HB2  TRP   6           HB2      TRP   6  28.559   2.144  -0.759
   43    HB3  TRP   6           HB3      TRP   6  28.089   2.626   0.867
   44    H    LEU   7           H        LEU   7  26.311   1.599   2.241
   45    HA   LEU   7           HA       LEU   7  27.326   0.305   4.605
   46    HG   LEU   7           HG       LEU   7  26.761   3.126   3.951
   47    HB2  LEU   7           HB2      LEU   7  24.658   1.653   4.029
   48    HB3  LEU   7           HB3      LEU   7  25.172   1.143   5.635
   49   HD11  LEU   7          HD11      LEU   7  24.536   4.044   4.376
   50   HD12  LEU   7          HD12      LEU   7  24.685   3.667   6.108
   51   HD13  LEU   7          HD13      LEU   7  25.747   4.880   5.361
   52   HD21  LEU   7          HD23      LEU   7  27.780   3.740   6.105
   53   HD22  LEU   7          HD21      LEU   7  26.802   2.518   6.940
   54   HD23  LEU   7          HD22      LEU   7  28.049   2.026   5.776
   55    H    LYS   8           H        LYS   8  24.472  -0.505   2.579
   56    HA   LYS   8           HA       LYS   8  23.371  -2.569   4.101
   57    HB2  LYS   8           HB2      LYS   8  22.606  -1.452   1.850
   58    HB3  LYS   8           HB3      LYS   8  23.566  -2.704   1.075
   59    HG2  LYS   8           HG2      LYS   8  21.357  -3.469   1.059
   60    HG3  LYS   8           HG3      LYS   8  22.137  -4.419   2.326
   61    HD2  LYS   8           HD2      LYS   8  21.047  -3.187   4.061
   62    HD3  LYS   8           HD3      LYS   8  20.585  -1.868   2.962
   63    HE2  LYS   8           HE2      LYS   8  18.970  -3.170   1.834
   64    HE3  LYS   8           HE3      LYS   8  19.601  -4.690   2.479
   65    HZ1  LYS   8           HZ3      LYS   8  17.557  -3.984   3.587
   66    HZ2  LYS   8           HZ1      LYS   8  18.809  -4.069   4.648
   67    HZ3  LYS   8           HZ2      LYS   8  18.282  -2.605   4.115
   68    H    ASP   9           H        ASP   9  26.001  -2.895   1.743
   69    HA   ASP   9           HA       ASP   9  26.418  -5.743   2.181
   70    HB2  ASP   9           HB2      ASP   9  27.993  -3.561   0.778
   71    HB3  ASP   9           HB3      ASP   9  28.527  -5.234   0.844
   72    H    GLY  10           H        GLY  10  26.892  -3.485   4.496
   73    HA2  GLY  10           HA2      GLY  10  27.987  -3.840   6.533
   74    HA3  GLY  10           HA3      GLY  10  29.031  -5.055   5.799
   75    H    GLY  11           H        GLY  11  28.745  -2.054   4.072
   76    HA2  GLY  11           HA2      GLY  11  30.179  -0.374   3.568
   77    HA3  GLY  11           HA3      GLY  11  30.462  -0.274   5.292
   78    HA   PRO  12           HA       PRO  12  34.738  -1.136   4.073
   79    HB2  PRO  12           HB2      PRO  12  34.990  -2.033   6.937
   80    HB3  PRO  12           HB3      PRO  12  36.034  -0.916   6.006
   81    HG2  PRO  12           HG2      PRO  12  34.258   0.034   7.828
   82    HG3  PRO  12           HG3      PRO  12  34.476   0.867   6.253
   83    HD2  PRO  12           HD2      PRO  12  32.308  -1.086   7.063
   84    HD3  PRO  12           HD3      PRO  12  32.163   0.474   6.207
   85    H    SER  13           H        SER  13  32.682  -3.467   5.768
   86    HA   SER  13           HA       SER  13  34.214  -5.817   5.633
   87    HG   SER  13           HG       SER  13  31.382  -4.490   6.883
   88    HB2  SER  13           HB2      SER  13  31.221  -5.753   5.134
   89    HB3  SER  13           HB3      SER  13  32.185  -7.022   5.903
   90    H    SER  14           H        SER  14  32.192  -4.316   3.138
   91    HA   SER  14           HA       SER  14  32.640  -6.390   1.152
   92    HG   SER  14           HG       SER  14  31.624  -3.030   1.832
   93    HB2  SER  14           HB2      SER  14  31.816  -4.536  -0.454
   94    HB3  SER  14           HB3      SER  14  30.719  -5.340   0.635
   95    H    GLY  15           H        GLY  15  34.872  -4.077   2.285
   96    HA2  GLY  15           HA2      GLY  15  36.936  -3.484   1.528
   97    HA3  GLY  15           HA3      GLY  15  36.824  -4.867   0.440
   98    H    ARG  16           H        ARG  16  34.490  -2.357  -0.024
   99    HA   ARG  16           HA       ARG  16  35.836  -1.566  -2.551
  100    HE   ARG  16           HE       ARG  16  30.057  -2.450  -0.752
  101    HB2  ARG  16           HB2      ARG  16  33.578  -1.013  -3.388
  102    HB3  ARG  16           HB3      ARG  16  33.853  -2.709  -3.002
  103    HG2  ARG  16           HG2      ARG  16  32.632  -2.261  -0.768
  104    HG3  ARG  16           HG3      ARG  16  32.174  -0.702  -1.470
  105    HD2  ARG  16           HD2      ARG  16  31.248  -1.950  -3.446
  106    HD3  ARG  16           HD3      ARG  16  31.584  -3.469  -2.600
  107   HH11  ARG  16          HH11      ARG  16  29.493  -2.332  -4.229
  108   HH12  ARG  16          HH12      ARG  16  27.758  -2.224  -4.034
  109   HH21  ARG  16          HH21      ARG  16  27.771  -2.299  -0.612
  110   HH22  ARG  16          HH22      ARG  16  26.873  -2.688  -1.960
  111    HA   PRO  17           HA       PRO  17  36.594   2.492  -0.958
  112    HB2  PRO  17           HB2      PRO  17  36.033   3.390  -3.789
  113    HB3  PRO  17           HB3      PRO  17  37.372   3.861  -2.698
  114    HG2  PRO  17           HG2      PRO  17  37.774   2.014  -4.636
  115    HG3  PRO  17           HG3      PRO  17  38.454   1.755  -2.996
  116    HD2  PRO  17           HD2      PRO  17  35.957   0.556  -4.208
  117    HD3  PRO  17           HD3      PRO  17  37.235  -0.212  -3.213
  118    HA   PRO  18           HA       PRO  18  32.325   3.824  -0.329
  119    HB2  PRO  18           HB2      PRO  18  32.776   5.999   1.361
  120    HB3  PRO  18           HB3      PRO  18  32.642   4.298   1.860
  121    HG2  PRO  18           HG2      PRO  18  35.135   5.912   1.327
  122    HG3  PRO  18           HG3      PRO  18  34.827   4.738   2.648
  123    HD2  PRO  18           HD2      PRO  18  36.277   4.096   0.436
  124    HD3  PRO  18           HD3      PRO  18  35.194   2.900   1.216
  125    HA   PRO  19           HA       PRO  19  32.236   7.026  -3.453
  126    HB2  PRO  19           HB2      PRO  19  29.553   7.384  -3.708
  127    HB3  PRO  19           HB3      PRO  19  30.387   5.893  -4.236
  128    HG2  PRO  19           HG2      PRO  19  28.858   6.357  -1.665
  129    HG3  PRO  19           HG3      PRO  19  28.800   4.935  -2.750
  130    HD2  PRO  19           HD2      PRO  19  30.314   5.029  -0.465
  131    HD3  PRO  19           HD3      PRO  19  30.764   4.065  -1.907
  132    H    SER  20           H        SER  20  33.198   8.791  -2.584
  133    HA   SER  20           HA       SER  20  31.746  10.643  -0.747
  134    HG   SER  20           HG       SER  20  33.815   9.028  -0.294
  135    HB2  SER  20           HB2      SER  20  34.600  10.710  -1.811
  136    HB3  SER  20           HB3      SER  20  33.898  11.827  -0.617
  Start of MODEL    6
    1    HA   ASP   1           HA       ASP   1  21.656   6.674  -3.534
    2    H1   ASP   1           H1       ASP   1  22.818   7.995  -2.005
    3    H2   ASP   1           H2       ASP   1  23.945   8.466  -3.131
    4    H3   ASP   1           H3       ASP   1  22.391   8.952  -3.301
    5    HB2  ASP   1           HB2      ASP   1  23.552   7.771  -5.633
    6    HB3  ASP   1           HB3      ASP   1  22.354   6.487  -5.887
    7    H    ALA   2           H        ALA   2  24.884   6.292  -4.982
    8    HA   ALA   2           HA       ALA   2  25.026   3.626  -4.489
    9    HB1  ALA   2           HB3      ALA   2  27.362   3.784  -5.120
   10    HB2  ALA   2           HB1      ALA   2  26.446   4.987  -6.042
   11    HB3  ALA   2           HB2      ALA   2  27.429   5.494  -4.650
   12    H    TYR   3           H        TYR   3  26.110   6.079  -2.176
   13    HA   TYR   3           HA       TYR   3  27.581   4.449  -0.399
   14    HD1  TYR   3           HD1      TYR   3  26.352   5.656   2.839
   15    HD2  TYR   3           HD2      TYR   3  29.470   7.076   0.215
   16    HE1  TYR   3           HE1      TYR   3  27.988   5.669   4.735
   17    HE2  TYR   3           HE2      TYR   3  31.077   7.044   2.068
   18    HH   TYR   3           HH       TYR   3  31.328   6.770   4.345
   19    HB2  TYR   3           HB2      TYR   3  27.240   7.041  -0.542
   20    HB3  TYR   3           HB3      TYR   3  25.879   6.769   0.534
   21    H    ALA   4           H        ALA   4  24.048   4.794  -0.750
   22    HA   ALA   4           HA       ALA   4  23.297   3.637   1.780
   23    HB1  ALA   4           HB3      ALA   4  21.114   3.343   0.695
   24    HB2  ALA   4           HB1      ALA   4  21.762   4.950   0.318
   25    HB3  ALA   4           HB2      ALA   4  21.824   3.656  -0.899
   26    H    GLN   5           H        GLN   5  23.984   2.297  -1.444
   27    HA   GLN   5           HA       GLN   5  23.502  -0.463  -0.716
   28    HB2  GLN   5           HB2      GLN   5  23.383   0.627  -3.023
   29    HB3  GLN   5           HB3      GLN   5  25.142   0.576  -3.068
   30    HG2  GLN   5           HG2      GLN   5  23.725  -1.998  -2.392
   31    HG3  GLN   5           HG3      GLN   5  23.478  -1.364  -4.010
   32   HE21  GLN   5          HE22      GLN   5  24.968  -1.996  -5.565
   33   HE22  GLN   5          HE21      GLN   5  26.444  -2.815  -5.068
   34    H    TRP   6           H        TRP   6  26.444   1.587  -0.979
   35    HA   TRP   6           HA       TRP   6  28.403  -0.319  -0.350
   36    HD1  TRP   6           HD1      TRP   6  31.089   0.664  -1.236
   37    HE1  TRP   6           HE1      TRP   6  33.260   0.677   0.173
   38    HE3  TRP   6           HE3      TRP   6  29.301   2.915   3.009
   39    HZ2  TRP   6           HZ2      TRP   6  34.044   1.398   2.816
   40    HZ3  TRP   6           HZ3      TRP   6  30.804   3.282   4.950
   41    HH2  TRP   6           HH2      TRP   6  33.168   2.531   4.870
   42    HB2  TRP   6           HB2      TRP   6  28.789   2.073  -0.994
   43    HB3  TRP   6           HB3      TRP   6  28.333   2.555   0.634
   44    H    LEU   7           H        LEU   7  26.543   1.631   2.060
   45    HA   LEU   7           HA       LEU   7  27.570   0.220   4.357
   46    HG   LEU   7           HG       LEU   7  27.041   3.165   3.894
   47    HB2  LEU   7           HB2      LEU   7  24.961   1.722   3.907
   48    HB3  LEU   7           HB3      LEU   7  25.464   1.088   5.471
   49   HD11  LEU   7          HD11      LEU   7  24.882   4.058   4.614
   50   HD12  LEU   7          HD12      LEU   7  25.131   3.429   6.259
   51   HD13  LEU   7          HD13      LEU   7  26.157   4.731   5.642
   52   HD21  LEU   7          HD23      LEU   7  28.232   3.518   6.037
   53   HD22  LEU   7          HD21      LEU   7  27.319   2.187   6.775
   54   HD23  LEU   7          HD22      LEU   7  28.470   1.870   5.459
   55    H    LYS   8           H        LYS   8  24.844  -0.529   2.200
   56    HA   LYS   8           HA       LYS   8  23.558  -2.442   3.838
   57    HB2  LYS   8           HB2      LYS   8  22.838  -1.247   1.642
   58    HB3  LYS   8           HB3      LYS   8  23.593  -2.600   0.798
   59    HG2  LYS   8           HG2      LYS   8  22.009  -4.143   1.635
   60    HG3  LYS   8           HG3      LYS   8  21.597  -3.110   3.016
   61    HD2  LYS   8           HD2      LYS   8  20.596  -1.434   1.381
   62    HD3  LYS   8           HD3      LYS   8  20.864  -2.621   0.098
   63    HE2  LYS   8           HE2      LYS   8  18.583  -2.836   0.803
   64    HE3  LYS   8           HE3      LYS   8  19.455  -4.255   1.405
   65    HZ1  LYS   8           HZ3      LYS   8  18.046  -3.321   3.123
   66    HZ2  LYS   8           HZ1      LYS   8  19.620  -3.119   3.558
   67    HZ3  LYS   8           HZ2      LYS   8  18.758  -1.844   2.986
   68    H    ASP   9           H        ASP   9  26.258  -2.889   1.619
   69    HA   ASP   9           HA       ASP   9  26.461  -5.775   2.141
   70    HB2  ASP   9           HB2      ASP   9  27.971  -3.739   0.504
   71    HB3  ASP   9           HB3      ASP   9  28.747  -5.267   0.901
   72    H    GLY  10           H        GLY  10  27.028  -3.338   4.264
   73    HA2  GLY  10           HA2      GLY  10  28.008  -3.670   6.376
   74    HA3  GLY  10           HA3      GLY  10  29.089  -4.895   5.726
   75    H    GLY  11           H        GLY  11  28.903  -2.000   3.840
   76    HA2  GLY  11           HA2      GLY  11  30.253  -0.247   3.423
   77    HA3  GLY  11           HA3      GLY  11  30.431  -0.098   5.160
   78    HA   PRO  12           HA       PRO  12  34.809  -0.935   4.280
   79    HB2  PRO  12           HB2      PRO  12  34.836  -1.875   7.144
   80    HB3  PRO  12           HB3      PRO  12  35.963  -0.762   6.310
   81    HG2  PRO  12           HG2      PRO  12  34.070   0.207   7.996
   82    HG3  PRO  12           HG3      PRO  12  34.403   1.036   6.440
   83    HD2  PRO  12           HD2      PRO  12  32.167  -0.900   7.093
   84    HD3  PRO  12           HD3      PRO  12  32.093   0.665   6.230
   85    H    SER  13           H        SER  13  32.626  -3.272   5.788
   86    HA   SER  13           HA       SER  13  34.205  -5.602   5.817
   87    HG   SER  13           HG       SER  13  31.332  -4.282   6.902
   88    HB2  SER  13           HB2      SER  13  31.238  -5.594   5.173
   89    HB3  SER  13           HB3      SER  13  32.180  -6.836   6.012
   90    H    SER  14           H        SER  14  32.307  -4.194   3.111
   91    HA   SER  14           HA       SER  14  32.637  -6.340   1.286
   92    HG   SER  14           HG       SER  14  30.322  -3.229   1.129
   93    HB2  SER  14           HB2      SER  14  32.305  -3.634   0.151
   94    HB3  SER  14           HB3      SER  14  31.280  -5.066  -0.005
   95    H    GLY  15           H        GLY  15  34.945  -4.004   2.368
   96    HA2  GLY  15           HA2      GLY  15  37.018  -3.377   1.664
   97    HA3  GLY  15           HA3      GLY  15  37.014  -4.784   0.603
   98    H    ARG  16           H        ARG  16  34.451  -2.787  -0.241
   99    HA   ARG  16           HA       ARG  16  35.722  -1.934  -2.727
  100    HE   ARG  16           HE       ARG  16  31.399   0.763  -4.626
  101    HB2  ARG  16           HB2      ARG  16  33.523  -2.820  -2.851
  102    HB3  ARG  16           HB3      ARG  16  32.916  -1.750  -1.581
  103    HG2  ARG  16           HG2      ARG  16  32.993   0.171  -3.003
  104    HG3  ARG  16           HG3      ARG  16  33.880  -0.696  -4.273
  105    HD2  ARG  16           HD2      ARG  16  32.035  -1.848  -5.011
  106    HD3  ARG  16           HD3      ARG  16  31.288  -1.896  -3.405
  107   HH11  ARG  16          HH11      ARG  16  29.424  -2.101  -4.241
  108   HH12  ARG  16          HH12      ARG  16  27.916  -1.250  -4.280
  109   HH21  ARG  16          HH21      ARG  16  29.442   1.841  -4.895
  110   HH22  ARG  16          HH22      ARG  16  27.953   0.937  -4.835
  111    HA   PRO  17           HA       PRO  17  37.056   2.151  -1.443
  112    HB2  PRO  17           HB2      PRO  17  36.046   2.821  -4.218
  113    HB3  PRO  17           HB3      PRO  17  37.509   3.425  -3.378
  114    HG2  PRO  17           HG2      PRO  17  37.708   1.388  -5.143
  115    HG3  PRO  17           HG3      PRO  17  38.589   1.299  -3.583
  116    HD2  PRO  17           HD2      PRO  17  36.019  -0.053  -4.380
  117    HD3  PRO  17           HD3      PRO  17  37.378  -0.682  -3.402
  118    HA   PRO  18           HA       PRO  18  32.968   3.715  -0.171
  119    HB2  PRO  18           HB2      PRO  18  33.826   5.778   1.461
  120    HB3  PRO  18           HB3      PRO  18  33.730   4.070   1.951
  121    HG2  PRO  18           HG2      PRO  18  36.148   5.607   1.003
  122    HG3  PRO  18           HG3      PRO  18  36.027   4.449   2.365
  123    HD2  PRO  18           HD2      PRO  18  37.030   3.757  -0.070
  124    HD3  PRO  18           HD3      PRO  18  36.082   2.597   0.912
  125    HA   PRO  19           HA       PRO  19  33.063   7.141  -3.184
  126    HB2  PRO  19           HB2      PRO  19  30.376   7.491  -3.535
  127    HB3  PRO  19           HB3      PRO  19  31.278   6.116  -4.240
  128    HG2  PRO  19           HG2      PRO  19  29.542   6.144  -1.777
  129    HG3  PRO  19           HG3      PRO  19  29.661   4.893  -3.043
  130    HD2  PRO  19           HD2      PRO  19  30.988   4.814  -0.582
  131    HD3  PRO  19           HD3      PRO  19  31.522   3.930  -2.043
  132    H    SER  20           H        SER  20  32.576   9.457  -3.105
  133    HA   SER  20           HA       SER  20  31.314  10.598  -0.741
  134    HG   SER  20           HG       SER  20  35.269  11.451  -1.195
  135    HB2  SER  20           HB2      SER  20  33.253  12.113  -0.379
  136    HB3  SER  20           HB3      SER  20  33.570  10.423   0.060
  Start of MODEL    7
    1    HA   ASP   1           HA       ASP   1  22.254   7.744  -2.444
    2    H1   ASP   1           H1       ASP   1  23.314   8.437  -4.440
    3    H2   ASP   1           H2       ASP   1  22.325   7.481  -5.368
    4    H3   ASP   1           H3       ASP   1  21.708   8.747  -4.526
    5    HB2  ASP   1           HB2      ASP   1  20.070   7.454  -3.923
    6    HB3  ASP   1           HB3      ASP   1  20.537   5.752  -3.889
    7    H    ALA   2           H        ALA   2  24.721   6.935  -4.005
    8    HA   ALA   2           HA       ALA   2  24.814   4.075  -4.089
    9    HB1  ALA   2           HB3      ALA   2  27.439   4.966  -4.098
   10    HB2  ALA   2           HB1      ALA   2  26.393   4.800  -5.509
   11    HB3  ALA   2           HB2      ALA   2  26.567   6.377  -4.718
   12    H    TYR   3           H        TYR   3  25.642   6.389  -1.529
   13    HA   TYR   3           HA       TYR   3  27.281   4.692   0.028
   14    HD1  TYR   3           HD2      TYR   3  26.367   5.213   3.296
   15    HD2  TYR   3           HD1      TYR   3  28.905   7.715   0.859
   16    HE1  TYR   3           HE2      TYR   3  28.134   5.160   5.052
   17    HE2  TYR   3           HE1      TYR   3  30.648   7.660   2.597
   18    HH   TYR   3           HH       TYR   3  31.081   7.100   4.815
   19    HB2  TYR   3           HB2      TYR   3  26.727   7.269   0.149
   20    HB3  TYR   3           HB3      TYR   3  25.499   6.768   1.296
   21    H    ALA   4           H        ALA   4  23.728   4.901  -0.123
   22    HA   ALA   4           HA       ALA   4  23.080   3.336   2.170
   23    HB1  ALA   4           HB3      ALA   4  20.943   2.977   0.958
   24    HB2  ALA   4           HB1      ALA   4  21.441   4.678   0.889
   25    HB3  ALA   4           HB2      ALA   4  21.662   3.632  -0.525
   26    H    GLN   5           H        GLN   5  23.824   2.409  -1.209
   27    HA   GLN   5           HA       GLN   5  23.532  -0.423  -0.733
   28    HB2  GLN   5           HB2      GLN   5  23.400   0.830  -2.960
   29    HB3  GLN   5           HB3      GLN   5  25.170   0.849  -2.963
   30    HG2  GLN   5           HG2      GLN   5  25.286  -1.537  -3.100
   31    HG3  GLN   5           HG3      GLN   5  23.623  -1.745  -2.551
   32   HE21  GLN   5          HE22      GLN   5  21.853  -1.460  -4.066
   33   HE22  GLN   5          HE21      GLN   5  22.242  -1.324  -5.784
   34    H    TRP   6           H        TRP   6  26.384   1.776  -0.827
   35    HA   TRP   6           HA       TRP   6  28.419  -0.055  -0.247
   36    HD1  TRP   6           HD1      TRP   6  31.091   1.216  -0.930
   37    HE1  TRP   6           HE1      TRP   6  33.112   0.976   0.610
   38    HE3  TRP   6           HE3      TRP   6  28.919   2.739   3.449
   39    HZ2  TRP   6           HZ2      TRP   6  33.769   1.612   3.355
   40    HZ3  TRP   6           HZ3      TRP   6  30.291   2.966   5.511
   41    HH2  TRP   6           HH2      TRP   6  32.713   2.431   5.471
   42    HB2  TRP   6           HB2      TRP   6  28.719   2.379  -0.696
   43    HB3  TRP   6           HB3      TRP   6  28.149   2.732   0.932
   44    H    LEU   7           H        LEU   7  26.339   1.562   2.210
   45    HA   LEU   7           HA       LEU   7  27.360   0.122   4.464
   46    HG   LEU   7           HG       LEU   7  26.634   2.925   4.169
   47    HB2  LEU   7           HB2      LEU   7  24.633   1.343   3.900
   48    HB3  LEU   7           HB3      LEU   7  25.066   0.650   5.459
   49   HD11  LEU   7          HD11      LEU   7  24.330   3.647   4.593
   50   HD12  LEU   7          HD12      LEU   7  24.422   3.033   6.260
   51   HD13  LEU   7          HD13      LEU   7  25.438   4.401   5.752
   52   HD21  LEU   7          HD23      LEU   7  27.456   3.279   6.488
   53   HD22  LEU   7          HD21      LEU   7  26.566   1.840   7.020
   54   HD23  LEU   7          HD22      LEU   7  27.918   1.689   5.877
   55    H    LYS   8           H        LYS   8  24.663  -0.740   2.266
   56    HA   LYS   8           HA       LYS   8  23.787  -3.064   3.616
   57    HB2  LYS   8           HB2      LYS   8  22.700  -1.796   1.680
   58    HB3  LYS   8           HB3      LYS   8  23.745  -2.718   0.586
   59    HG2  LYS   8           HG2      LYS   8  22.754  -4.826   1.315
   60    HG3  LYS   8           HG3      LYS   8  21.926  -4.017   2.647
   61    HD2  LYS   8           HD2      LYS   8  20.162  -4.149   1.257
   62    HD3  LYS   8           HD3      LYS   8  20.794  -2.610   0.668
   63    HE2  LYS   8           HE2      LYS   8  21.970  -3.831  -1.174
   64    HE3  LYS   8           HE3      LYS   8  21.350  -5.361  -0.537
   65    HZ1  LYS   8           HZ3      LYS   8  19.946  -4.571  -2.322
   66    HZ2  LYS   8           HZ1      LYS   8  19.100  -4.537  -0.914
   67    HZ3  LYS   8           HZ2      LYS   8  19.676  -3.139  -1.551
   68    H    ASP   9           H        ASP   9  26.514  -2.732   1.418
   69    HA   ASP   9           HA       ASP   9  27.067  -5.605   1.297
   70    HB2  ASP   9           HB2      ASP   9  28.803  -3.259   0.479
   71    HB3  ASP   9           HB3      ASP   9  28.995  -4.949  -0.015
   72    H    GLY  10           H        GLY  10  27.162  -4.035   3.980
   73    HA2  GLY  10           HA2      GLY  10  28.205  -4.553   5.998
   74    HA3  GLY  10           HA3      GLY  10  29.467  -5.448   5.147
   75    H    GLY  11           H        GLY  11  28.564  -2.160   4.260
   76    HA2  GLY  11           HA2      GLY  11  29.776  -0.237   4.053
   77    HA3  GLY  11           HA3      GLY  11  30.399  -0.554   5.667
   78    HA   PRO  12           HA       PRO  12  34.171  -0.931   3.200
   79    HB2  PRO  12           HB2      PRO  12  36.048  -1.128   5.162
   80    HB3  PRO  12           HB3      PRO  12  35.147   0.380   4.841
   81    HG2  PRO  12           HG2      PRO  12  34.628  -1.681   6.992
   82    HG3  PRO  12           HG3      PRO  12  34.626   0.106   7.127
   83    HD2  PRO  12           HD2      PRO  12  32.348  -1.453   6.795
   84    HD3  PRO  12           HD3      PRO  12  32.463   0.253   6.292
   85    H    SER  13           H        SER  13  32.778  -3.445   5.052
   86    HA   SER  13           HA       SER  13  34.758  -5.377   5.336
   87    HG   SER  13           HG       SER  13  31.777  -4.653   6.401
   88    HB2  SER  13           HB2      SER  13  31.844  -5.915   4.637
   89    HB3  SER  13           HB3      SER  13  32.969  -7.032   5.431
   90    H    SER  14           H        SER  14  32.841  -4.723   2.419
   91    HA   SER  14           HA       SER  14  33.834  -6.985   0.893
   92    HG   SER  14           HG       SER  14  30.869  -5.095   1.398
   93    HB2  SER  14           HB2      SER  14  32.581  -5.245  -0.854
   94    HB3  SER  14           HB3      SER  14  31.795  -6.556   0.023
   95    H    GLY  15           H        GLY  15  35.358  -4.087   1.734
   96    HA2  GLY  15           HA2      GLY  15  37.357  -3.240   1.023
   97    HA3  GLY  15           HA3      GLY  15  37.402  -4.421  -0.284
   98    H    ARG  16           H        ARG  16  34.586  -3.102  -0.924
   99    HA   ARG  16           HA       ARG  16  35.326  -1.335  -3.027
  100    HE   ARG  16           HE       ARG  16  29.133  -1.893  -1.467
  101    HB2  ARG  16           HB2      ARG  16  32.918  -0.764  -3.137
  102    HB3  ARG  16           HB3      ARG  16  33.292  -2.483  -3.152
  103    HG2  ARG  16           HG2      ARG  16  32.775  -2.365  -0.563
  104    HG3  ARG  16           HG3      ARG  16  31.948  -0.875  -0.961
  105    HD2  ARG  16           HD2      ARG  16  31.345  -3.390  -2.564
  106    HD3  ARG  16           HD3      ARG  16  30.772  -3.254  -0.921
  107   HH11  ARG  16          HH11      ARG  16  30.988  -2.209  -4.399
  108   HH12  ARG  16          HH12      ARG  16  29.595  -1.771  -5.367
  109   HH21  ARG  16          HH21      ARG  16  27.577  -1.720  -2.663
  110   HH22  ARG  16          HH22      ARG  16  27.637  -1.193  -4.341
  111    HA   PRO  17           HA       PRO  17  36.476   2.189  -0.474
  112    HB2  PRO  17           HB2      PRO  17  36.234   3.621  -3.124
  113    HB3  PRO  17           HB3      PRO  17  37.521   3.748  -1.886
  114    HG2  PRO  17           HG2      PRO  17  37.913   2.262  -4.118
  115    HG3  PRO  17           HG3      PRO  17  38.445   1.640  -2.521
  116    HD2  PRO  17           HD2      PRO  17  35.939   0.945  -4.068
  117    HD3  PRO  17           HD3      PRO  17  37.078  -0.129  -3.196
  118    HA   PRO  18           HA       PRO  18  32.356   3.896   0.120
  119    HB2  PRO  18           HB2      PRO  18  32.953   6.020   1.840
  120    HB3  PRO  18           HB3      PRO  18  32.690   4.328   2.314
  121    HG2  PRO  18           HG2      PRO  18  35.293   5.774   1.840
  122    HG3  PRO  18           HG3      PRO  18  34.896   4.576   3.114
  123    HD2  PRO  18           HD2      PRO  18  36.321   3.928   0.880
  124    HD3  PRO  18           HD3      PRO  18  35.180   2.772   1.631
  125    HA   PRO  19           HA       PRO  19  32.423   7.230  -2.897
  126    HB2  PRO  19           HB2      PRO  19  29.757   7.745  -3.117
  127    HB3  PRO  19           HB3      PRO  19  30.513   6.251  -3.750
  128    HG2  PRO  19           HG2      PRO  19  29.014   6.621  -1.149
  129    HG3  PRO  19           HG3      PRO  19  28.870   5.289  -2.329
  130    HD2  PRO  19           HD2      PRO  19  30.405   5.135  -0.048
  131    HD3  PRO  19           HD3      PRO  19  30.800   4.245  -1.550
  132    H    SER  20           H        SER  20  33.433   8.986  -2.038
  133    HA   SER  20           HA       SER  20  31.932  11.032  -0.634
  134    HG   SER  20           HG       SER  20  34.395   8.812  -0.073
  135    HB2  SER  20           HB2      SER  20  33.763  11.262   1.112
  136    HB3  SER  20           HB3      SER  20  32.648   9.899   1.331
  Start of MODEL    8
    1    HA   ASP   1           HA       ASP   1  23.139   7.691  -2.965
    2    H1   ASP   1           H1       ASP   1  23.997   7.810  -5.273
    3    H2   ASP   1           H2       ASP   1  22.682   6.880  -5.743
    4    H3   ASP   1           H3       ASP   1  22.441   8.346  -5.124
    5    HB2  ASP   1           HB2      ASP   1  21.309   6.036  -2.534
    6    HB3  ASP   1           HB3      ASP   1  20.830   7.444  -3.466
    7    H    ALA   2           H        ALA   2  25.424   6.547  -4.562
    8    HA   ALA   2           HA       ALA   2  25.613   3.777  -4.256
    9    HB1  ALA   2           HB3      ALA   2  28.027   4.192  -4.611
   10    HB2  ALA   2           HB1      ALA   2  27.028   5.146  -5.722
   11    HB3  ALA   2           HB2      ALA   2  27.778   5.926  -4.312
   12    H    TYR   3           H        TYR   3  26.296   6.296  -1.843
   13    HA   TYR   3           HA       TYR   3  27.775   4.710  -0.008
   14    HD1  TYR   3           HD2      TYR   3  26.849   5.346   3.054
   15    HD2  TYR   3           HD1      TYR   3  29.342   7.983   0.700
   16    HE1  TYR   3           HE2      TYR   3  28.642   5.218   4.772
   17    HE2  TYR   3           HE1      TYR   3  31.101   7.845   2.394
   18    HH   TYR   3           HH       TYR   3  31.809   6.752   4.305
   19    HB2  TYR   3           HB2      TYR   3  27.266   7.323  -0.160
   20    HB3  TYR   3           HB3      TYR   3  25.990   6.930   0.977
   21    H    ALA   4           H        ALA   4  24.248   5.076  -0.449
   22    HA   ALA   4           HA       ALA   4  23.398   3.782   1.959
   23    HB1  ALA   4           HB3      ALA   4  21.284   3.441   0.701
   24    HB2  ALA   4           HB1      ALA   4  21.883   5.103   0.543
   25    HB3  ALA   4           HB2      ALA   4  22.082   3.952  -0.795
   26    H    GLN   5           H        GLN   5  24.098   2.517  -1.322
   27    HA   GLN   5           HA       GLN   5  23.713  -0.233  -0.597
   28    HB2  GLN   5           HB2      GLN   5  23.835   0.970  -2.975
   29    HB3  GLN   5           HB3      GLN   5  25.543   0.557  -2.848
   30    HG2  GLN   5           HG2      GLN   5  24.624  -1.289  -3.954
   31    HG3  GLN   5           HG3      GLN   5  24.693  -1.868  -2.288
   32   HE21  GLN   5          HE22      GLN   5  22.791  -2.300  -4.848
   33   HE22  GLN   5          HE21      GLN   5  21.221  -2.152  -4.057
   34    H    TRP   6           H        TRP   6  26.643   1.838  -0.645
   35    HA   TRP   6           HA       TRP   6  28.602  -0.097  -0.030
   36    HD1  TRP   6           HD1      TRP   6  31.448   1.486  -0.857
   37    HE1  TRP   6           HE1      TRP   6  33.446   1.040   0.643
   38    HE3  TRP   6           HE3      TRP   6  29.255   2.522   3.641
   39    HZ2  TRP   6           HZ2      TRP   6  34.098   1.375   3.447
   40    HZ3  TRP   6           HZ3      TRP   6  30.643   2.621   5.701
   41    HH2  TRP   6           HH2      TRP   6  33.056   2.058   5.615
   42    HB2  TRP   6           HB2      TRP   6  29.002   2.338  -0.546
   43    HB3  TRP   6           HB3      TRP   6  28.478   2.735   1.082
   44    H    LEU   7           H        LEU   7  26.587   1.743   2.314
   45    HA   LEU   7           HA       LEU   7  27.462   0.250   4.620
   46    HG   LEU   7           HG       LEU   7  27.085   3.123   4.210
   47    HB2  LEU   7           HB2      LEU   7  24.899   1.788   4.045
   48    HB3  LEU   7           HB3      LEU   7  25.287   1.107   5.623
   49   HD11  LEU   7          HD11      LEU   7  24.907   4.148   4.623
   50   HD12  LEU   7          HD12      LEU   7  24.940   3.600   6.314
   51   HD13  LEU   7          HD13      LEU   7  26.115   4.803   5.740
   52   HD21  LEU   7          HD23      LEU   7  28.026   3.467   6.465
   53   HD22  LEU   7          HD21      LEU   7  26.931   2.239   7.128
   54   HD23  LEU   7          HD22      LEU   7  28.207   1.777   5.985
   55    H    LYS   8           H        LYS   8  24.664  -0.281   2.435
   56    HA   LYS   8           HA       LYS   8  23.488  -2.428   3.810
   57    HB2  LYS   8           HB2      LYS   8  23.120  -1.114   1.322
   58    HB3  LYS   8           HB3      LYS   8  23.309  -2.813   0.908
   59    HG2  LYS   8           HG2      LYS   8  21.520  -3.345   2.628
   60    HG3  LYS   8           HG3      LYS   8  21.341  -1.596   2.893
   61    HD2  LYS   8           HD2      LYS   8  20.965  -1.450   0.318
   62    HD3  LYS   8           HD3      LYS   8  20.741  -3.211   0.389
   63    HE2  LYS   8           HE2      LYS   8  18.968  -2.777   2.188
   64    HE3  LYS   8           HE3      LYS   8  19.173  -1.048   1.858
   65    HZ1  LYS   8           HZ3      LYS   8  17.382  -1.774   0.529
   66    HZ2  LYS   8           HZ1      LYS   8  18.649  -1.626  -0.514
   67    HZ3  LYS   8           HZ2      LYS   8  18.179  -3.114   0.000
   68    H    ASP   9           H        ASP   9  26.158  -2.651   1.468
   69    HA   ASP   9           HA       ASP   9  26.359  -5.557   1.640
   70    HB2  ASP   9           HB2      ASP   9  28.117  -3.359   0.513
   71    HB3  ASP   9           HB3      ASP   9  28.651  -5.041   0.550
   72    H    GLY  10           H        GLY  10  26.833  -3.540   4.176
   73    HA2  GLY  10           HA2      GLY  10  27.777  -4.158   6.238
   74    HA3  GLY  10           HA3      GLY  10  28.788  -5.368   5.448
   75    H    GLY  11           H        GLY  11  28.697  -2.176   4.046
   76    HA2  GLY  11           HA2      GLY  11  30.203  -0.504   3.790
   77    HA3  GLY  11           HA3      GLY  11  30.482  -0.657   5.511
   78    HA   PRO  12           HA       PRO  12  34.712  -1.573   4.165
   79    HB2  PRO  12           HB2      PRO  12  34.911  -2.820   6.900
   80    HB3  PRO  12           HB3      PRO  12  36.014  -1.655   6.106
   81    HG2  PRO  12           HG2      PRO  12  34.281  -0.843   8.035
   82    HG3  PRO  12           HG3      PRO  12  34.551   0.163   6.573
   83    HD2  PRO  12           HD2      PRO  12  32.273  -1.745   7.148
   84    HD3  PRO  12           HD3      PRO  12  32.228  -0.092   6.472
   85    H    SER  13           H        SER  13  32.544  -4.002   5.553
   86    HA   SER  13           HA       SER  13  33.969  -6.389   5.277
   87    HG   SER  13           HG       SER  13  31.148  -5.088   6.505
   88    HB2  SER  13           HB2      SER  13  31.021  -6.075   4.586
   89    HB3  SER  13           HB3      SER  13  31.844  -7.510   5.216
   90    H    SER  14           H        SER  14  32.169  -4.611   2.836
   91    HA   SER  14           HA       SER  14  32.390  -6.366   0.630
   92    HG   SER  14           HG       SER  14  31.370  -3.088   1.957
   93    HB2  SER  14           HB2      SER  14  32.351  -3.502   0.025
   94    HB3  SER  14           HB3      SER  14  31.168  -4.747  -0.386
   95    H    GLY  15           H        GLY  15  34.800  -4.207   1.993
   96    HA2  GLY  15           HA2      GLY  15  36.828  -3.452   1.317
   97    HA3  GLY  15           HA3      GLY  15  36.838  -4.718   0.097
   98    H    ARG  16           H        ARG  16  34.210  -2.977  -0.823
   99    HA   ARG  16           HA       ARG  16  35.527  -1.566  -2.940
  100    HE   ARG  16           HE       ARG  16  29.828  -2.676  -2.446
  101    HB2  ARG  16           HB2      ARG  16  33.264  -0.375  -3.220
  102    HB3  ARG  16           HB3      ARG  16  33.385  -2.088  -3.569
  103    HG2  ARG  16           HG2      ARG  16  32.024  -2.728  -1.879
  104    HG3  ARG  16           HG3      ARG  16  32.546  -1.428  -0.789
  105    HD2  ARG  16           HD2      ARG  16  30.638  -0.449  -1.113
  106    HD3  ARG  16           HD3      ARG  16  31.146  -0.059  -2.766
  107   HH11  ARG  16          HH11      ARG  16  29.222   0.744  -2.880
  108   HH12  ARG  16          HH12      ARG  16  27.572   0.498  -3.375
  109   HH21  ARG  16          HH21      ARG  16  27.517  -2.814  -2.722
  110   HH22  ARG  16          HH22      ARG  16  26.778  -1.547  -3.618
  111    HA   PRO  17           HA       PRO  17  36.847   2.207  -0.886
  112    HB2  PRO  17           HB2      PRO  17  36.328   3.349  -3.637
  113    HB3  PRO  17           HB3      PRO  17  37.713   3.634  -2.540
  114    HG2  PRO  17           HG2      PRO  17  37.948   1.911  -4.616
  115    HG3  PRO  17           HG3      PRO  17  38.625   1.477  -3.012
  116    HD2  PRO  17           HD2      PRO  17  36.022   0.576  -4.261
  117    HD3  PRO  17           HD3      PRO  17  37.242  -0.372  -3.352
  118    HA   PRO  18           HA       PRO  18  32.668   3.821  -0.147
  119    HB2  PRO  18           HB2      PRO  18  33.314   5.866   1.635
  120    HB3  PRO  18           HB3      PRO  18  33.053   4.158   2.068
  121    HG2  PRO  18           HG2      PRO  18  35.660   5.597   1.577
  122    HG3  PRO  18           HG3      PRO  18  35.271   4.393   2.848
  123    HD2  PRO  18           HD2      PRO  18  36.648   3.745   0.590
  124    HD3  PRO  18           HD3      PRO  18  35.493   2.598   1.337
  125    HA   PRO  19           HA       PRO  19  32.861   7.279  -3.011
  126    HB2  PRO  19           HB2      PRO  19  30.227   7.990  -3.119
  127    HB3  PRO  19           HB3      PRO  19  30.852   6.479  -3.850
  128    HG2  PRO  19           HG2      PRO  19  29.453   6.834  -1.202
  129    HG3  PRO  19           HG3      PRO  19  29.201   5.559  -2.427
  130    HD2  PRO  19           HD2      PRO  19  30.772   5.247  -0.171
  131    HD3  PRO  19           HD3      PRO  19  31.040   4.347  -1.696
  132    H    SER  20           H        SER  20  32.796   9.536  -2.956
  133    HA   SER  20           HA       SER  20  32.849  10.817  -0.300
  134    HG   SER  20           HG       SER  20  33.930  12.614  -0.312
  135    HB2  SER  20           HB2      SER  20  34.613  11.132  -2.177
  136    HB3  SER  20           HB3      SER  20  33.381  12.100  -3.015
  Start of MODEL    9
    1    HA   ASP   1           HA       ASP   1  23.864   7.999  -3.676
    2    H1   ASP   1           H1       ASP   1  24.562   8.246  -5.934
    3    H2   ASP   1           H2       ASP   1  23.274   7.383  -6.480
    4    H3   ASP   1           H3       ASP   1  23.035   8.861  -5.771
    5    HB2  ASP   1           HB2      ASP   1  21.413   7.972  -4.335
    6    HB3  ASP   1           HB3      ASP   1  21.609   6.262  -4.736
    7    H    ALA   2           H        ALA   2  25.246   6.613  -2.806
    8    HA   ALA   2           HA       ALA   2  25.532   3.868  -3.819
    9    HB1  ALA   2           HB3      ALA   2  27.979   4.043  -4.114
   10    HB2  ALA   2           HB1      ALA   2  27.111   5.100  -5.241
   11    HB3  ALA   2           HB2      ALA   2  27.900   5.795  -3.808
   12    H    TYR   3           H        TYR   3  26.480   6.319  -1.361
   13    HA   TYR   3           HA       TYR   3  27.742   4.641   0.454
   14    HD1  TYR   3           HD1      TYR   3  26.658   5.300   3.558
   15    HD2  TYR   3           HD2      TYR   3  29.425   7.720   1.286
   16    HE1  TYR   3           HE1      TYR   3  28.368   5.077   5.355
   17    HE2  TYR   3           HE2      TYR   3  31.107   7.477   3.051
   18    HH   TYR   3           HH       TYR   3  31.666   6.296   4.976
   19    HB2  TYR   3           HB2      TYR   3  27.317   7.254   0.379
   20    HB3  TYR   3           HB3      TYR   3  25.984   6.874   1.454
   21    H    ALA   4           H        ALA   4  24.215   5.076  -0.006
   22    HA   ALA   4           HA       ALA   4  23.294   3.710   2.295
   23    HB1  ALA   4           HB3      ALA   4  21.228   3.469   1.023
   24    HB2  ALA   4           HB1      ALA   4  21.922   5.064   0.674
   25    HB3  ALA   4           HB2      ALA   4  22.079   3.754  -0.508
   26    H    GLN   5           H        GLN   5  24.110   2.453  -0.961
   27    HA   GLN   5           HA       GLN   5  23.702  -0.313  -0.239
   28    HB2  GLN   5           HB2      GLN   5  23.698   0.896  -2.613
   29    HB3  GLN   5           HB3      GLN   5  25.429   0.555  -2.564
   30    HG2  GLN   5           HG2      GLN   5  24.425  -1.286  -3.695
   31    HG3  GLN   5           HG3      GLN   5  24.786  -1.901  -2.083
   32   HE21  GLN   5          HE22      GLN   5  22.190  -1.123  -4.390
   33   HE22  GLN   5          HE21      GLN   5  20.929  -1.691  -3.284
   34    H    TRP   6           H        TRP   6  26.553   1.830  -0.313
   35    HA   TRP   6           HA       TRP   6  28.590  -0.043   0.235
   36    HD1  TRP   6           HD1      TRP   6  31.249   1.436  -0.634
   37    HE1  TRP   6           HE1      TRP   6  33.335   1.011   0.753
   38    HE3  TRP   6           HE3      TRP   6  29.304   2.514   3.960
   39    HZ2  TRP   6           HZ2      TRP   6  34.151   1.482   3.498
   40    HZ3  TRP   6           HZ3      TRP   6  30.793   2.623   5.948
   41    HH2  TRP   6           HH2      TRP   6  33.214   2.124   5.728
   42    HB2  TRP   6           HB2      TRP   6  28.861   2.436  -0.180
   43    HB3  TRP   6           HB3      TRP   6  28.396   2.708   1.495
   44    H    LEU   7           H        LEU   7  26.570   1.671   2.680
   45    HA   LEU   7           HA       LEU   7  27.482   0.052   4.884
   46    HG   LEU   7           HG       LEU   7  27.089   2.956   4.629
   47    HB2  LEU   7           HB2      LEU   7  24.913   1.623   4.466
   48    HB3  LEU   7           HB3      LEU   7  25.351   0.854   5.992
   49   HD11  LEU   7          HD11      LEU   7  24.927   3.930   5.221
   50   HD12  LEU   7          HD12      LEU   7  25.047   3.266   6.866
   51   HD13  LEU   7          HD13      LEU   7  26.181   4.520   6.323
   52   HD21  LEU   7          HD23      LEU   7  28.139   3.157   6.858
   53   HD22  LEU   7          HD21      LEU   7  27.089   1.871   7.485
   54   HD23  LEU   7          HD22      LEU   7  28.313   1.510   6.251
   55    H    LYS   8           H        LYS   8  24.590  -0.342   2.771
   56    HA   LYS   8           HA       LYS   8  23.513  -2.582   4.087
   57    HB2  LYS   8           HB2      LYS   8  22.552  -1.144   2.119
   58    HB3  LYS   8           HB3      LYS   8  23.435  -2.253   1.067
   59    HG2  LYS   8           HG2      LYS   8  21.219  -3.099   1.200
   60    HG3  LYS   8           HG3      LYS   8  22.190  -4.164   2.210
   61    HD2  LYS   8           HD2      LYS   8  21.296  -2.125   3.979
   62    HD3  LYS   8           HD3      LYS   8  19.925  -2.392   2.916
   63    HE2  LYS   8           HE2      LYS   8  21.419  -4.548   4.482
   64    HE3  LYS   8           HE3      LYS   8  19.907  -3.784   4.996
   65    HZ1  LYS   8           HZ3      LYS   8  19.487  -5.887   3.904
   66    HZ2  LYS   8           HZ1      LYS   8  18.860  -4.666   2.993
   67    HZ3  LYS   8           HZ2      LYS   8  20.265  -5.392   2.541
   68    H    ASP   9           H        ASP   9  25.993  -2.583   1.553
   69    HA   ASP   9           HA       ASP   9  26.331  -5.479   1.598
   70    HB2  ASP   9           HB2      ASP   9  27.894  -3.260   0.245
   71    HB3  ASP   9           HB3      ASP   9  28.145  -4.983  -0.023
   72    H    GLY  10           H        GLY  10  26.798  -4.145   4.191
   73    HA2  GLY  10           HA2      GLY  10  28.117  -4.757   6.001
   74    HA3  GLY  10           HA3      GLY  10  29.209  -5.617   4.917
   75    H    GLY  11           H        GLY  11  28.477  -2.209   4.377
   76    HA2  GLY  11           HA2      GLY  11  29.777  -0.324   4.420
   77    HA3  GLY  11           HA3      GLY  11  30.534  -0.945   5.881
   78    HA   PRO  12           HA       PRO  12  33.987  -1.166   2.949
   79    HB2  PRO  12           HB2      PRO  12  36.036  -1.781   4.645
   80    HB3  PRO  12           HB3      PRO  12  35.272  -0.171   4.589
   81    HG2  PRO  12           HG2      PRO  12  34.771  -2.403   6.561
   82    HG3  PRO  12           HG3      PRO  12  34.952  -0.647   6.874
   83    HD2  PRO  12           HD2      PRO  12  32.515  -1.959   6.656
   84    HD3  PRO  12           HD3      PRO  12  32.739  -0.226   6.296
   85    H    SER  13           H        SER  13  32.719  -3.879   4.796
   86    HA   SER  13           HA       SER  13  34.630  -5.862   4.191
   87    HG   SER  13           HG       SER  13  33.829  -6.576   6.364
   88    HB2  SER  13           HB2      SER  13  31.628  -6.096   4.621
   89    HB3  SER  13           HB3      SER  13  32.750  -7.467   4.594
   90    H    SER  14           H        SER  14  32.203  -4.502   2.021
   91    HA   SER  14           HA       SER  14  32.293  -6.683   0.110
   92    HG   SER  14           HG       SER  14  30.096  -4.345   1.279
   93    HB2  SER  14           HB2      SER  14  31.336  -4.477  -1.256
   94    HB3  SER  14           HB3      SER  14  30.379  -5.678  -0.402
   95    H    GLY  15           H        GLY  15  34.715  -4.460   0.885
   96    HA2  GLY  15           HA2      GLY  15  36.773  -4.250  -0.156
   97    HA3  GLY  15           HA3      GLY  15  36.193  -5.243  -1.491
   98    H    ARG  16           H        ARG  16  34.155  -2.605  -0.955
   99    HA   ARG  16           HA       ARG  16  35.277  -1.089  -3.256
  100    HE   ARG  16           HE       ARG  16  30.489  -1.331  -4.163
  101    HB2  ARG  16           HB2      ARG  16  33.024   0.074  -3.211
  102    HB3  ARG  16           HB3      ARG  16  33.074  -1.594  -3.775
  103    HG2  ARG  16           HG2      ARG  16  31.987  -2.442  -1.875
  104    HG3  ARG  16           HG3      ARG  16  32.411  -1.060  -0.875
  105    HD2  ARG  16           HD2      ARG  16  30.167  -0.779  -1.227
  106    HD3  ARG  16           HD3      ARG  16  30.897   0.361  -2.355
  107   HH11  ARG  16          HH11      ARG  16  28.485  -1.572  -1.266
  108   HH12  ARG  16          HH12      ARG  16  27.367  -2.576  -2.131
  109   HH21  ARG  16          HH21      ARG  16  28.658  -2.257  -5.212
  110   HH22  ARG  16          HH22      ARG  16  27.320  -2.730  -4.181
  111    HA   PRO  17           HA       PRO  17  36.755   2.019  -0.337
  112    HB2  PRO  17           HB2      PRO  17  36.488   3.752  -2.802
  113    HB3  PRO  17           HB3      PRO  17  37.823   3.691  -1.609
  114    HG2  PRO  17           HG2      PRO  17  38.073   2.442  -4.000
  115    HG3  PRO  17           HG3      PRO  17  38.624   1.624  -2.501
  116    HD2  PRO  17           HD2      PRO  17  36.045   1.211  -4.028
  117    HD3  PRO  17           HD3      PRO  17  37.147  -0.003  -3.305
  118    HA   PRO  18           HA       PRO  18  32.777   3.915   0.646
  119    HB2  PRO  18           HB2      PRO  18  33.620   5.926   2.386
  120    HB3  PRO  18           HB3      PRO  18  33.312   4.230   2.825
  121    HG2  PRO  18           HG2      PRO  18  35.940   5.568   2.194
  122    HG3  PRO  18           HG3      PRO  18  35.584   4.349   3.459
  123    HD2  PRO  18           HD2      PRO  18  36.795   3.711   1.100
  124    HD3  PRO  18           HD3      PRO  18  35.662   2.584   1.904
  125    HA   PRO  19           HA       PRO  19  33.019   7.412  -2.224
  126    HB2  PRO  19           HB2      PRO  19  30.361   7.976  -2.485
  127    HB3  PRO  19           HB3      PRO  19  31.122   6.533  -3.222
  128    HG2  PRO  19           HG2      PRO  19  29.515   6.701  -0.677
  129    HG3  PRO  19           HG3      PRO  19  29.437   5.460  -1.958
  130    HD2  PRO  19           HD2      PRO  19  30.866   5.182   0.407
  131    HD3  PRO  19           HD3      PRO  19  31.278   4.327  -1.110
  132    H    SER  20           H        SER  20  32.655   9.734  -2.126
  133    HA   SER  20           HA       SER  20  31.901  10.938   0.468
  134    HG   SER  20           HG       SER  20  33.723  13.137   0.405
  135    HB2  SER  20           HB2      SER  20  34.394  10.379   0.397
  136    HB3  SER  20           HB3      SER  20  34.528  11.504  -0.969
  Start of MODEL   10
    1    HA   ASP   1           HA       ASP   1  23.791   8.033  -4.316
    2    H1   ASP   1           H1       ASP   1  21.657   7.178  -4.819
    3    H2   ASP   1           H2       ASP   1  21.292   6.954  -3.220
    4    H3   ASP   1           H3       ASP   1  21.487   8.490  -3.807
    5    HB2  ASP   1           HB2      ASP   1  22.738   7.973  -1.478
    6    HB3  ASP   1           HB3      ASP   1  24.470   8.095  -1.851
    7    H    ALA   2           H        ALA   2  25.520   6.714  -4.324
    8    HA   ALA   2           HA       ALA   2  25.207   3.882  -4.191
    9    HB1  ALA   2           HB3      ALA   2  27.662   3.928  -4.562
   10    HB2  ALA   2           HB1      ALA   2  26.809   5.035  -5.653
   11    HB3  ALA   2           HB2      ALA   2  27.675   5.678  -4.245
   12    H    TYR   3           H        TYR   3  26.138   6.249  -1.721
   13    HA   TYR   3           HA       TYR   3  27.503   4.573   0.073
   14    HD1  TYR   3           HD2      TYR   3  26.435   5.164   3.197
   15    HD2  TYR   3           HD1      TYR   3  29.072   7.674   0.889
   16    HE1  TYR   3           HE2      TYR   3  28.104   5.145   5.051
   17    HE2  TYR   3           HE1      TYR   3  30.720   7.658   2.723
   18    HH   TYR   3           HH       TYR   3  31.038   7.109   4.967
   19    HB2  TYR   3           HB2      TYR   3  26.988   7.178   0.032
   20    HB3  TYR   3           HB3      TYR   3  25.682   6.735   1.113
   21    H    ALA   4           H        ALA   4  24.008   4.962  -0.413
   22    HA   ALA   4           HA       ALA   4  23.087   3.504   1.875
   23    HB1  ALA   4           HB3      ALA   4  20.990   3.339   0.573
   24    HB2  ALA   4           HB1      ALA   4  21.653   4.985   0.507
   25    HB3  ALA   4           HB2      ALA   4  21.839   3.891  -0.886
   26    H    GLN   5           H        GLN   5  24.328   2.452  -1.274
   27    HA   GLN   5           HA       GLN   5  23.622  -0.366  -0.807
   28    HB2  GLN   5           HB2      GLN   5  23.795   0.932  -3.096
   29    HB3  GLN   5           HB3      GLN   5  25.521   0.631  -2.948
   30    HG2  GLN   5           HG2      GLN   5  25.246  -1.489  -3.684
   31    HG3  GLN   5           HG3      GLN   5  24.107  -1.858  -2.397
   32   HE21  GLN   5          HE22      GLN   5  21.738  -1.465  -2.821
   33   HE22  GLN   5          HE21      GLN   5  21.269  -1.336  -4.526
   34    H    TRP   6           H        TRP   6  26.536   1.732  -0.816
   35    HA   TRP   6           HA       TRP   6  28.528  -0.086  -0.162
   36    HD1  TRP   6           HD1      TRP   6  31.156   1.265  -0.907
   37    HE1  TRP   6           HE1      TRP   6  33.213   0.996   0.588
   38    HE3  TRP   6           HE3      TRP   6  29.085   2.740   3.529
   39    HZ2  TRP   6           HZ2      TRP   6  33.933   1.627   3.315
   40    HZ3  TRP   6           HZ3      TRP   6  30.506   2.983   5.553
   41    HH2  TRP   6           HH2      TRP   6  32.928   2.447   5.456
   42    HB2  TRP   6           HB2      TRP   6  28.779   2.381  -0.591
   43    HB3  TRP   6           HB3      TRP   6  28.236   2.684   1.057
   44    H    LEU   7           H        LEU   7  26.465   1.586   2.278
   45    HA   LEU   7           HA       LEU   7  27.422   0.062   4.521
   46    HG   LEU   7           HG       LEU   7  26.871   2.934   4.241
   47    HB2  LEU   7           HB2      LEU   7  24.788   1.488   4.009
   48    HB3  LEU   7           HB3      LEU   7  25.199   0.753   5.558
   49   HD11  LEU   7          HD11      LEU   7  24.643   3.786   4.801
   50   HD12  LEU   7          HD12      LEU   7  24.780   3.126   6.447
   51   HD13  LEU   7          HD13      LEU   7  25.850   4.441   5.919
   52   HD21  LEU   7          HD23      LEU   7  27.833   3.183   6.524
   53   HD22  LEU   7          HD21      LEU   7  26.879   1.792   7.074
   54   HD23  LEU   7          HD22      LEU   7  28.162   1.582   5.864
   55    H    LYS   8           H        LYS   8  24.874  -0.670   2.191
   56    HA   LYS   8           HA       LYS   8  23.666  -2.887   3.535
   57    HB2  LYS   8           HB2      LYS   8  23.064  -1.387   1.378
   58    HB3  LYS   8           HB3      LYS   8  23.764  -2.745   0.518
   59    HG2  LYS   8           HG2      LYS   8  22.093  -4.229   1.273
   60    HG3  LYS   8           HG3      LYS   8  21.619  -3.191   2.624
   61    HD2  LYS   8           HD2      LYS   8  21.234  -2.337  -0.276
   62    HD3  LYS   8           HD3      LYS   8  20.025  -3.263   0.631
   63    HE2  LYS   8           HE2      LYS   8  20.096  -1.473   2.422
   64    HE3  LYS   8           HE3      LYS   8  21.111  -0.498   1.351
   65    HZ1  LYS   8           HZ3      LYS   8  18.749   0.061   1.188
   66    HZ2  LYS   8           HZ1      LYS   8  19.309  -0.492  -0.254
   67    HZ3  LYS   8           HZ2      LYS   8  18.384  -1.463   0.699
   68    H    ASP   9           H        ASP   9  26.327  -2.725   1.192
   69    HA   ASP   9           HA       ASP   9  26.998  -5.561   1.306
   70    HB2  ASP   9           HB2      ASP   9  28.431  -3.106   0.230
   71    HB3  ASP   9           HB3      ASP   9  29.029  -4.748   0.049
   72    H    GLY  10           H        GLY  10  26.906  -4.236   3.959
   73    HA2  GLY  10           HA2      GLY  10  27.983  -4.496   5.975
   74    HA3  GLY  10           HA3      GLY  10  29.250  -5.416   5.161
   75    H    GLY  11           H        GLY  11  28.432  -2.132   4.207
   76    HA2  GLY  11           HA2      GLY  11  29.670  -0.205   4.074
   77    HA3  GLY  11           HA3      GLY  11  30.209  -0.542   5.712
   78    HA   PRO  12           HA       PRO  12  34.079  -0.925   3.409
   79    HB2  PRO  12           HB2      PRO  12  35.865  -1.107   5.456
   80    HB3  PRO  12           HB3      PRO  12  34.992   0.403   5.069
   81    HG2  PRO  12           HG2      PRO  12  34.357  -1.615   7.228
   82    HG3  PRO  12           HG3      PRO  12  34.364   0.174   7.333
   83    HD2  PRO  12           HD2      PRO  12  32.089  -1.368   6.924
   84    HD3  PRO  12           HD3      PRO  12  32.245   0.326   6.388
   85    H    SER  13           H        SER  13  32.607  -3.428   5.282
   86    HA   SER  13           HA       SER  13  34.614  -5.353   5.553
   87    HG   SER  13           HG       SER  13  33.609  -7.346   6.391
   88    HB2  SER  13           HB2      SER  13  32.305  -5.441   6.515
   89    HB3  SER  13           HB3      SER  13  31.681  -5.863   4.909
   90    H    SER  14           H        SER  14  32.592  -4.754   2.699
   91    HA   SER  14           HA       SER  14  33.611  -6.982   1.146
   92    HG   SER  14           HG       SER  14  30.629  -5.649   1.468
   93    HB2  SER  14           HB2      SER  14  32.131  -4.458   0.337
   94    HB3  SER  14           HB3      SER  14  32.437  -5.854  -0.717
   95    H    GLY  15           H        GLY  15  35.192  -4.034   1.930
   96    HA2  GLY  15           HA2      GLY  15  37.218  -3.243   1.208
   97    HA3  GLY  15           HA3      GLY  15  37.268  -4.486  -0.037
   98    H    ARG  16           H        ARG  16  34.471  -3.141  -0.823
   99    HA   ARG  16           HA       ARG  16  35.363  -1.503  -2.972
  100    HE   ARG  16           HE       ARG  16  30.187  -1.668  -3.069
  101    HB2  ARG  16           HB2      ARG  16  33.010  -0.794  -3.205
  102    HB3  ARG  16           HB3      ARG  16  33.263  -2.528  -3.145
  103    HG2  ARG  16           HG2      ARG  16  32.718  -1.888  -0.458
  104    HG3  ARG  16           HG3      ARG  16  31.685  -0.784  -1.354
  105    HD2  ARG  16           HD2      ARG  16  31.822  -3.776  -1.839
  106    HD3  ARG  16           HD3      ARG  16  30.660  -2.998  -0.749
  107   HH11  ARG  16          HH11      ARG  16  30.333  -5.069  -2.370
  108   HH12  ARG  16          HH12      ARG  16  28.678  -5.251  -2.793
  109   HH21  ARG  16          HH21      ARG  16  28.352  -2.209  -4.314
  110   HH22  ARG  16          HH22      ARG  16  27.894  -3.888  -4.379
  111    HA   PRO  17           HA       PRO  17  36.599   2.118  -0.646
  112    HB2  PRO  17           HB2      PRO  17  36.194   3.474  -3.318
  113    HB3  PRO  17           HB3      PRO  17  37.551   3.644  -2.161
  114    HG2  PRO  17           HG2      PRO  17  37.820   2.083  -4.359
  115    HG3  PRO  17           HG3      PRO  17  38.440   1.514  -2.775
  116    HD2  PRO  17           HD2      PRO  17  35.860   0.762  -4.162
  117    HD3  PRO  17           HD3      PRO  17  37.044  -0.275  -3.304
  118    HA   PRO  18           HA       PRO  18  32.530   3.888   0.158
  119    HB2  PRO  18           HB2      PRO  18  33.243   6.021   1.796
  120    HB3  PRO  18           HB3      PRO  18  33.032   4.335   2.320
  121    HG2  PRO  18           HG2      PRO  18  35.587   5.779   1.616
  122    HG3  PRO  18           HG3      PRO  18  35.286   4.637   2.965
  123    HD2  PRO  18           HD2      PRO  18  36.543   3.886   0.667
  124    HD3  PRO  18           HD3      PRO  18  35.447   2.770   1.538
  125    HA   PRO  19           HA       PRO  19  32.625   7.183  -2.943
  126    HB2  PRO  19           HB2      PRO  19  29.953   7.619  -3.229
  127    HB3  PRO  19           HB3      PRO  19  30.755   6.139  -3.837
  128    HG2  PRO  19           HG2      PRO  19  29.184   6.486  -1.274
  129    HG3  PRO  19           HG3      PRO  19  29.106   5.143  -2.454
  130    HD2  PRO  19           HD2      PRO  19  30.587   5.062  -0.127
  131    HD3  PRO  19           HD3      PRO  19  31.017   4.140  -1.600
  132    H    SER  20           H        SER  20  33.097   9.315  -2.530
  133    HA   SER  20           HA       SER  20  31.517  10.916  -0.707
  134    HG   SER  20           HG       SER  20  34.600   9.571  -0.862
  135    HB2  SER  20           HB2      SER  20  33.563  11.802   0.468
  136    HB3  SER  20           HB3      SER  20  33.069  10.166   0.945
  Start of MODEL   11
    1    HA   ASP   1           HA       ASP   1  23.694   8.797  -3.506
    2    H1   ASP   1           H1       ASP   1  26.061   8.978  -3.726
    3    H2   ASP   1           H2       ASP   1  25.979   8.572  -5.348
    4    H3   ASP   1           H3       ASP   1  25.363   9.965  -4.853
    5    HB2  ASP   1           HB2      ASP   1  22.335   8.171  -5.566
    6    HB3  ASP   1           HB3      ASP   1  23.007   9.793  -5.499
    7    H    ALA   2           H        ALA   2  26.199   6.785  -3.635
    8    HA   ALA   2           HA       ALA   2  24.574   4.300  -3.858
    9    HB1  ALA   2           HB3      ALA   2  26.681   3.253  -4.569
   10    HB2  ALA   2           HB1      ALA   2  26.191   4.583  -5.630
   11    HB3  ALA   2           HB2      ALA   2  27.501   4.829  -4.464
   12    H    TYR   3           H        TYR   3  25.415   6.160  -1.414
   13    HA   TYR   3           HA       TYR   3  27.107   4.620   0.258
   14    HD1  TYR   3           HD2      TYR   3  28.718   6.396   1.362
   15    HD2  TYR   3           HD1      TYR   3  25.026   6.103   3.586
   16    HE1  TYR   3           HE2      TYR   3  30.005   6.232   3.493
   17    HE2  TYR   3           HE1      TYR   3  26.329   6.025   5.713
   18    HH   TYR   3           HH       TYR   3  28.899   6.864   6.381
   19    HB2  TYR   3           HB2      TYR   3  26.461   7.092   0.415
   20    HB3  TYR   3           HB3      TYR   3  24.981   6.567   1.210
   21    H    ALA   4           H        ALA   4  23.534   4.578  -0.015
   22    HA   ALA   4           HA       ALA   4  22.990   2.860   2.183
   23    HB1  ALA   4           HB3      ALA   4  20.857   2.502   1.115
   24    HB2  ALA   4           HB1      ALA   4  21.320   4.185   0.812
   25    HB3  ALA   4           HB2      ALA   4  21.492   2.971  -0.475
   26    H    GLN   5           H        GLN   5  23.768   2.091  -1.227
   27    HA   GLN   5           HA       GLN   5  23.705  -0.765  -0.913
   28    HB2  GLN   5           HB2      GLN   5  23.646   0.694  -3.100
   29    HB3  GLN   5           HB3      GLN   5  25.408   0.666  -2.956
   30    HG2  GLN   5           HG2      GLN   5  25.010  -1.977  -2.666
   31    HG3  GLN   5           HG3      GLN   5  23.469  -1.610  -3.439
   32   HE21  GLN   5          HE22      GLN   5  26.742  -2.431  -4.025
   33   HE22  GLN   5          HE21      GLN   5  26.738  -1.852  -5.705
   34    H    TRP   6           H        TRP   6  26.297   1.698  -0.536
   35    HA   TRP   6           HA       TRP   6  28.474  -0.124  -0.113
   36    HD1  TRP   6           HD1      TRP   6  31.064   1.006  -0.677
   37    HE1  TRP   6           HE1      TRP   6  33.098   1.009   0.863
   38    HE3  TRP   6           HE3      TRP   6  28.824   2.840   3.547
   39    HZ2  TRP   6           HZ2      TRP   6  33.707   1.862   3.559
   40    HZ3  TRP   6           HZ3      TRP   6  30.163   3.246   5.594
   41    HH2  TRP   6           HH2      TRP   6  32.603   2.779   5.612
   42    HB2  TRP   6           HB2      TRP   6  28.679   2.318  -0.511
   43    HB3  TRP   6           HB3      TRP   6  28.074   2.613   1.114
   44    H    LEU   7           H        LEU   7  26.281   1.365   2.306
   45    HA   LEU   7           HA       LEU   7  27.250  -0.131   4.537
   46    HG   LEU   7           HG       LEU   7  26.402   2.717   4.117
   47    HB2  LEU   7           HB2      LEU   7  24.491   1.012   3.978
   48    HB3  LEU   7           HB3      LEU   7  25.016   0.402   5.546
   49   HD11  LEU   7          HD11      LEU   7  24.145   3.392   4.547
   50   HD12  LEU   7          HD12      LEU   7  24.159   2.665   6.173
   51   HD13  LEU   7          HD13      LEU   7  25.141   4.096   5.830
   52   HD21  LEU   7          HD23      LEU   7  27.362   3.209   6.292
   53   HD22  LEU   7          HD21      LEU   7  26.501   1.840   7.032
   54   HD23  LEU   7          HD22      LEU   7  27.790   1.559   5.839
   55    H    LYS   8           H        LYS   8  24.563  -0.952   2.293
   56    HA   LYS   8           HA       LYS   8  23.709  -3.373   3.451
   57    HB2  LYS   8           HB2      LYS   8  23.815  -2.289   0.646
   58    HB3  LYS   8           HB3      LYS   8  23.448  -3.980   0.825
   59    HG2  LYS   8           HG2      LYS   8  21.819  -2.275   2.642
   60    HG3  LYS   8           HG3      LYS   8  21.637  -1.873   0.936
   61    HD2  LYS   8           HD2      LYS   8  19.964  -3.510   1.356
   62    HD3  LYS   8           HD3      LYS   8  21.226  -4.312   0.439
   63    HE2  LYS   8           HE2      LYS   8  20.883  -5.909   2.050
   64    HE3  LYS   8           HE3      LYS   8  22.167  -4.983   2.833
   65    HZ1  LYS   8           HZ3      LYS   8  20.342  -5.380   4.352
   66    HZ2  LYS   8           HZ1      LYS   8  20.398  -3.766   4.028
   67    HZ3  LYS   8           HZ2      LYS   8  19.254  -4.709   3.319
   68    H    ASP   9           H        ASP   9  26.556  -2.934   1.389
   69    HA   ASP   9           HA       ASP   9  27.256  -5.791   1.437
   70    HB2  ASP   9           HB2      ASP   9  28.425  -3.281   0.216
   71    HB3  ASP   9           HB3      ASP   9  29.300  -4.799   0.176
   72    H    GLY  10           H        GLY  10  27.133  -4.295   4.050
   73    HA2  GLY  10           HA2      GLY  10  28.243  -4.570   6.067
   74    HA3  GLY  10           HA3      GLY  10  29.548  -5.421   5.237
   75    H    GLY  11           H        GLY  11  28.541  -2.237   4.170
   76    HA2  GLY  11           HA2      GLY  11  29.660  -0.249   3.958
   77    HA3  GLY  11           HA3      GLY  11  30.175  -0.473   5.622
   78    HA   PRO  12           HA       PRO  12  34.142  -0.723   3.477
   79    HB2  PRO  12           HB2      PRO  12  35.854  -0.762   5.600
   80    HB3  PRO  12           HB3      PRO  12  34.929   0.685   5.121
   81    HG2  PRO  12           HG2      PRO  12  34.327  -1.249   7.354
   82    HG3  PRO  12           HG3      PRO  12  34.196   0.538   7.342
   83    HD2  PRO  12           HD2      PRO  12  32.077  -1.234   6.927
   84    HD3  PRO  12           HD3      PRO  12  32.095   0.461   6.376
   85    H    SER  13           H        SER  13  32.704  -3.270   5.308
   86    HA   SER  13           HA       SER  13  34.840  -5.113   5.553
   87    HG   SER  13           HG       SER  13  33.470  -7.523   5.194
   88    HB2  SER  13           HB2      SER  13  32.588  -5.246   6.659
   89    HB3  SER  13           HB3      SER  13  31.905  -5.771   5.107
   90    H    SER  14           H        SER  14  32.703  -4.522   2.763
   91    HA   SER  14           HA       SER  14  33.674  -6.835   1.273
   92    HG   SER  14           HG       SER  14  30.695  -5.828   1.616
   93    HB2  SER  14           HB2      SER  14  31.963  -4.454   0.499
   94    HB3  SER  14           HB3      SER  14  32.407  -5.762  -0.620
   95    H    GLY  15           H        GLY  15  35.391  -4.069   2.015
   96    HA2  GLY  15           HA2      GLY  15  37.444  -3.399   1.218
   97    HA3  GLY  15           HA3      GLY  15  37.366  -4.683   0.012
   98    H    ARG  16           H        ARG  16  34.758  -2.476  -0.066
   99    HA   ARG  16           HA       ARG  16  35.762  -1.212  -2.559
  100    HE   ARG  16           HE       ARG  16  31.111  -0.489  -3.134
  101    HB2  ARG  16           HB2      ARG  16  33.331  -0.590  -2.897
  102    HB3  ARG  16           HB3      ARG  16  33.797  -2.278  -3.074
  103    HG2  ARG  16           HG2      ARG  16  32.916  -2.767  -0.794
  104    HG3  ARG  16           HG3      ARG  16  32.357  -1.100  -0.652
  105    HD2  ARG  16           HD2      ARG  16  31.504  -3.050  -2.844
  106    HD3  ARG  16           HD3      ARG  16  30.643  -2.818  -1.321
  107   HH11  ARG  16          HH11      ARG  16  28.666  -2.734  -1.852
  108   HH12  ARG  16          HH12      ARG  16  27.454  -1.594  -1.742
  109   HH21  ARG  16          HH21      ARG  16  29.327   0.887  -3.470
  110   HH22  ARG  16          HH22      ARG  16  27.756   0.327  -2.973
  111    HA   PRO  17           HA       PRO  17  36.451   2.519  -0.151
  112    HB2  PRO  17           HB2      PRO  17  36.230   3.784  -2.887
  113    HB3  PRO  17           HB3      PRO  17  37.431   4.094  -1.596
  114    HG2  PRO  17           HG2      PRO  17  38.071   2.533  -3.719
  115    HG3  PRO  17           HG3      PRO  17  38.579   2.057  -2.066
  116    HD2  PRO  17           HD2      PRO  17  36.245   1.025  -3.687
  117    HD3  PRO  17           HD3      PRO  17  37.419   0.126  -2.674
  118    HA   PRO  18           HA       PRO  18  32.183   3.882   0.174
  119    HB2  PRO  18           HB2      PRO  18  32.514   6.208   1.682
  120    HB3  PRO  18           HB3      PRO  18  32.433   4.549   2.325
  121    HG2  PRO  18           HG2      PRO  18  34.878   6.209   1.705
  122    HG3  PRO  18           HG3      PRO  18  34.577   5.150   3.122
  123    HD2  PRO  18           HD2      PRO  18  36.106   4.353   1.022
  124    HD3  PRO  18           HD3      PRO  18  35.027   3.201   1.868
  125    HA   PRO  19           HA       PRO  19  32.083   6.968  -3.114
  126    HB2  PRO  19           HB2      PRO  19  29.419   7.058  -3.610
  127    HB3  PRO  19           HB3      PRO  19  30.410   5.616  -3.986
  128    HG2  PRO  19           HG2      PRO  19  28.631   6.075  -1.574
  129    HG3  PRO  19           HG3      PRO  19  28.771   4.609  -2.591
  130    HD2  PRO  19           HD2      PRO  19  30.099   4.950  -0.192
  131    HD3  PRO  19           HD3      PRO  19  30.698   3.913  -1.523
  132    H    SER  20           H        SER  20  32.553   9.005  -2.608
  133    HA   SER  20           HA       SER  20  30.962  10.668  -0.730
  134    HG   SER  20           HG       SER  20  32.781  11.295   0.477
  135    HB2  SER  20           HB2      SER  20  33.587  11.008  -2.237
  136    HB3  SER  20           HB3      SER  20  32.743  12.398  -1.536
  Start of MODEL   12
    1    HA   ASP   1           HA       ASP   1  22.099   7.915  -2.806
    2    H1   ASP   1           H1       ASP   1  21.516   7.750  -5.100
    3    H2   ASP   1           H2       ASP   1  20.276   6.717  -4.771
    4    H3   ASP   1           H3       ASP   1  20.203   8.286  -4.255
    5    HB2  ASP   1           HB2      ASP   1  19.650   7.603  -2.119
    6    HB3  ASP   1           HB3      ASP   1  19.946   5.869  -2.205
    7    H    ALA   2           H        ALA   2  24.025   6.970  -3.137
    8    HA   ALA   2           HA       ALA   2  24.139   4.090  -3.931
    9    HB1  ALA   2           HB3      ALA   2  26.392   4.625  -4.725
   10    HB2  ALA   2           HB1      ALA   2  25.201   5.708  -5.469
   11    HB3  ALA   2           HB2      ALA   2  26.232   6.297  -4.143
   12    H    TYR   3           H        TYR   3  25.091   6.402  -1.411
   13    HA   TYR   3           HA       TYR   3  27.049   4.773  -0.126
   14    HD1  TYR   3           HD2      TYR   3  28.992   6.825   0.640
   15    HD2  TYR   3           HD1      TYR   3  25.821   6.031   3.457
   16    HE1  TYR   3           HE2      TYR   3  30.675   6.509   2.442
   17    HE2  TYR   3           HE1      TYR   3  27.502   5.807   5.270
   18    HH   TYR   3           HH       TYR   3  29.722   5.809   5.809
   19    HB2  TYR   3           HB2      TYR   3  26.638   7.292   0.096
   20    HB3  TYR   3           HB3      TYR   3  25.324   6.893   1.197
   21    H    ALA   4           H        ALA   4  23.458   4.998   0.263
   22    HA   ALA   4           HA       ALA   4  23.167   3.229   2.437
   23    HB1  ALA   4           HB3      ALA   4  20.946   2.764   1.427
   24    HB2  ALA   4           HB1      ALA   4  21.326   4.497   1.434
   25    HB3  ALA   4           HB2      ALA   4  21.465   3.568  -0.073
   26    H    GLN   5           H        GLN   5  23.666   2.409  -1.053
   27    HA   GLN   5           HA       GLN   5  23.421  -0.431  -0.603
   28    HB2  GLN   5           HB2      GLN   5  23.250   0.900  -2.875
   29    HB3  GLN   5           HB3      GLN   5  25.009   0.710  -2.905
   30    HG2  GLN   5           HG2      GLN   5  24.260  -1.863  -2.253
   31    HG3  GLN   5           HG3      GLN   5  22.830  -1.342  -3.136
   32   HE21  GLN   5          HE22      GLN   5  25.993  -2.757  -3.469
   33   HE22  GLN   5          HE21      GLN   5  25.983  -2.497  -5.229
   34    H    TRP   6           H        TRP   6  26.230   1.792  -0.824
   35    HA   TRP   6           HA       TRP   6  28.297  -0.126  -0.573
   36    HD1  TRP   6           HD1      TRP   6  30.963   0.863  -1.385
   37    HE1  TRP   6           HE1      TRP   6  33.167   0.841  -0.005
   38    HE3  TRP   6           HE3      TRP   6  29.244   2.987   2.942
   39    HZ2  TRP   6           HZ2      TRP   6  33.995   1.511   2.627
   40    HZ3  TRP   6           HZ3      TRP   6  30.780   3.306   4.869
   41    HH2  TRP   6           HH2      TRP   6  33.148   2.588   4.724
   42    HB2  TRP   6           HB2      TRP   6  28.658   2.274  -1.060
   43    HB3  TRP   6           HB3      TRP   6  28.221   2.681   0.594
   44    H    LEU   7           H        LEU   7  26.509   1.513   2.098
   45    HA   LEU   7           HA       LEU   7  27.714  -0.113   4.171
   46    HG   LEU   7           HG       LEU   7  27.142   2.884   4.147
   47    HB2  LEU   7           HB2      LEU   7  25.099   1.437   4.047
   48    HB3  LEU   7           HB3      LEU   7  25.652   0.581   5.486
   49   HD11  LEU   7          HD11      LEU   7  25.087   3.619   5.235
   50   HD12  LEU   7          HD12      LEU   7  25.482   2.689   6.700
   51   HD13  LEU   7          HD13      LEU   7  26.466   4.086   6.245
   52   HD21  LEU   7          HD23      LEU   7  28.503   2.863   6.255
   53   HD22  LEU   7          HD21      LEU   7  27.720   1.337   6.717
   54   HD23  LEU   7          HD22      LEU   7  28.757   1.422   5.275
   55    H    LYS   8           H        LYS   8  24.708  -0.600   2.260
   56    HA   LYS   8           HA       LYS   8  23.749  -2.905   3.555
   57    HB2  LYS   8           HB2      LYS   8  22.839  -1.469   1.502
   58    HB3  LYS   8           HB3      LYS   8  23.652  -2.706   0.542
   59    HG2  LYS   8           HG2      LYS   8  22.271  -4.404   1.986
   60    HG3  LYS   8           HG3      LYS   8  21.356  -2.973   2.501
   61    HD2  LYS   8           HD2      LYS   8  21.226  -2.502  -0.124
   62    HD3  LYS   8           HD3      LYS   8  21.594  -4.235  -0.240
   63    HE2  LYS   8           HE2      LYS   8  19.622  -4.680   1.273
   64    HE3  LYS   8           HE3      LYS   8  19.274  -2.944   1.265
   65    HZ1  LYS   8           HZ3      LYS   8  17.946  -4.067  -0.389
   66    HZ2  LYS   8           HZ1      LYS   8  19.023  -3.088  -1.154
   67    HZ3  LYS   8           HZ2      LYS   8  19.278  -4.710  -1.110
   68    H    ASP   9           H        ASP   9  26.165  -2.747   0.947
   69    HA   ASP   9           HA       ASP   9  26.728  -5.595   0.843
   70    HB2  ASP   9           HB2      ASP   9  28.182  -3.096  -0.108
   71    HB3  ASP   9           HB3      ASP   9  28.876  -4.698  -0.298
   72    H    GLY  10           H        GLY  10  27.418  -3.451   3.398
   73    HA2  GLY  10           HA2      GLY  10  28.491  -4.239   5.364
   74    HA3  GLY  10           HA3      GLY  10  29.626  -5.183   4.409
   75    H    GLY  11           H        GLY  11  29.389  -2.118   2.973
   76    HA2  GLY  11           HA2      GLY  11  30.886  -0.476   2.691
   77    HA3  GLY  11           HA3      GLY  11  30.707  -0.232   4.419
   78    HA   PRO  12           HA       PRO  12  35.184  -0.892   4.448
   79    HB2  PRO  12           HB2      PRO  12  34.748  -1.723   7.309
   80    HB3  PRO  12           HB3      PRO  12  35.930  -0.559   6.634
   81    HG2  PRO  12           HG2      PRO  12  33.700   0.321   7.908
   82    HG3  PRO  12           HG3      PRO  12  34.263   1.123   6.405
   83    HD2  PRO  12           HD2      PRO  12  32.075  -0.952   6.719
   84    HD3  PRO  12           HD3      PRO  12  32.055   0.580   5.800
   85    H    SER  13           H        SER  13  32.933  -3.386   5.750
   86    HA   SER  13           HA       SER  13  34.835  -5.548   5.799
   87    HG   SER  13           HG       SER  13  33.433  -5.838   7.820
   88    HB2  SER  13           HB2      SER  13  31.803  -5.608   5.497
   89    HB3  SER  13           HB3      SER  13  32.835  -6.978   5.936
   90    H    SER  14           H        SER  14  32.832  -4.150   3.187
   91    HA   SER  14           HA       SER  14  33.115  -6.410   1.406
   92    HG   SER  14           HG       SER  14  30.437  -4.980   1.751
   93    HB2  SER  14           HB2      SER  14  32.540  -3.651   0.392
   94    HB3  SER  14           HB3      SER  14  31.772  -5.186  -0.034
   95    H    GLY  15           H        GLY  15  35.190  -3.779   2.254
   96    HA2  GLY  15           HA2      GLY  15  37.255  -3.112   1.493
   97    HA3  GLY  15           HA3      GLY  15  37.281  -4.525   0.439
   98    H    ARG  16           H        ARG  16  34.565  -2.631  -0.254
   99    HA   ARG  16           HA       ARG  16  35.660  -1.738  -2.817
  100    HE   ARG  16           HE       ARG  16  30.726  -1.877  -3.572
  101    HB2  ARG  16           HB2      ARG  16  33.448  -2.696  -2.731
  102    HB3  ARG  16           HB3      ARG  16  32.909  -1.530  -1.529
  103    HG2  ARG  16           HG2      ARG  16  32.296  -0.042  -3.105
  104    HG3  ARG  16           HG3      ARG  16  33.864  -0.091  -3.882
  105    HD2  ARG  16           HD2      ARG  16  32.261  -0.715  -5.508
  106    HD3  ARG  16           HD3      ARG  16  33.224  -2.144  -5.100
  107   HH11  ARG  16          HH11      ARG  16  32.072  -3.199  -6.504
  108   HH12  ARG  16          HH12      ARG  16  30.800  -4.372  -6.708
  109   HH21  ARG  16          HH21      ARG  16  29.052  -3.392  -3.848
  110   HH22  ARG  16          HH22      ARG  16  29.142  -4.471  -5.192
  111    HA   PRO  17           HA       PRO  17  36.989   2.383  -1.552
  112    HB2  PRO  17           HB2      PRO  17  35.844   2.968  -4.294
  113    HB3  PRO  17           HB3      PRO  17  37.305   3.659  -3.519
  114    HG2  PRO  17           HG2      PRO  17  37.536   1.598  -5.254
  115    HG3  PRO  17           HG3      PRO  17  38.484   1.587  -3.731
  116    HD2  PRO  17           HD2      PRO  17  35.984   0.067  -4.413
  117    HD3  PRO  17           HD3      PRO  17  37.388  -0.441  -3.433
  118    HA   PRO  18           HA       PRO  18  32.929   3.804  -0.091
  119    HB2  PRO  18           HB2      PRO  18  33.784   5.923   1.487
  120    HB3  PRO  18           HB3      PRO  18  33.763   4.214   1.983
  121    HG2  PRO  18           HG2      PRO  18  36.083   5.823   0.922
  122    HG3  PRO  18           HG3      PRO  18  36.061   4.658   2.285
  123    HD2  PRO  18           HD2      PRO  18  36.977   3.995  -0.185
  124    HD3  PRO  18           HD3      PRO  18  36.091   2.810   0.825
  125    HA   PRO  19           HA       PRO  19  32.548   7.264  -3.014
  126    HB2  PRO  19           HB2      PRO  19  29.857   7.349  -3.294
  127    HB3  PRO  19           HB3      PRO  19  30.847   6.015  -3.955
  128    HG2  PRO  19           HG2      PRO  19  29.224   6.039  -1.407
  129    HG3  PRO  19           HG3      PRO  19  29.342   4.752  -2.636
  130    HD2  PRO  19           HD2      PRO  19  30.823   4.818  -0.272
  131    HD3  PRO  19           HD3      PRO  19  31.338   3.957  -1.753
  132    H    SER  20           H        SER  20  33.478   8.716  -1.501
  133    HA   SER  20           HA       SER  20  31.578  10.734  -0.441
  134    HG   SER  20           HG       SER  20  34.646  10.109   0.344
  135    HB2  SER  20           HB2      SER  20  32.768  10.892   1.676
  136    HB3  SER  20           HB3      SER  20  32.251   9.195   1.481
  Start of MODEL   13
    1    HA   ASP   1           HA       ASP   1  24.017   8.131  -4.572
    2    H1   ASP   1           H1       ASP   1  24.869   8.806  -2.455
    3    H2   ASP   1           H2       ASP   1  26.366   9.064  -3.079
    4    H3   ASP   1           H3       ASP   1  25.106  10.039  -3.532
    5    HB2  ASP   1           HB2      ASP   1  25.590   9.770  -5.751
    6    HB3  ASP   1           HB3      ASP   1  26.834   8.515  -5.640
    7    H    ALA   2           H        ALA   2  24.049   5.876  -4.932
    8    HA   ALA   2           HA       ALA   2  24.130   3.768  -4.175
    9    HB1  ALA   2           HB3      ALA   2  26.151   2.651  -4.861
   10    HB2  ALA   2           HB1      ALA   2  25.794   3.984  -5.975
   11    HB3  ALA   2           HB2      ALA   2  27.074   4.170  -4.760
   12    H    TYR   3           H        TYR   3  25.670   5.836  -2.044
   13    HA   TYR   3           HA       TYR   3  27.058   4.361  -0.289
   14    HD1  TYR   3           HD1      TYR   3  26.161   5.431   2.983
   15    HD2  TYR   3           HD2      TYR   3  28.740   7.256   0.039
   16    HE1  TYR   3           HE1      TYR   3  28.062   5.415   4.603
   17    HE2  TYR   3           HE2      TYR   3  30.623   7.167   1.614
   18    HH   TYR   3           HH       TYR   3  31.337   6.420   3.664
   19    HB2  TYR   3           HB2      TYR   3  26.461   6.928  -0.450
   20    HB3  TYR   3           HB3      TYR   3  25.280   6.552   0.796
   21    H    ALA   4           H        ALA   4  23.510   4.539  -0.247
   22    HA   ALA   4           HA       ALA   4  23.045   3.272   2.262
   23    HB1  ALA   4           HB3      ALA   4  20.821   2.821   1.387
   24    HB2  ALA   4           HB1      ALA   4  21.321   4.436   0.856
   25    HB3  ALA   4           HB2      ALA   4  21.368   3.072  -0.284
   26    H    GLN   5           H        GLN   5  23.579   1.891  -1.007
   27    HA   GLN   5           HA       GLN   5  23.327  -0.857  -0.199
   28    HB2  GLN   5           HB2      GLN   5  23.301   0.313  -2.621
   29    HB3  GLN   5           HB3      GLN   5  25.026  -0.032  -2.546
   30    HG2  GLN   5           HG2      GLN   5  24.279  -1.986  -3.511
   31    HG3  GLN   5           HG3      GLN   5  24.170  -2.480  -1.823
   32   HE21  GLN   5          HE22      GLN   5  21.862  -2.312  -0.788
   33   HE22  GLN   5          HE21      GLN   5  20.540  -2.385  -1.969
   34    H    TRP   6           H        TRP   6  26.121   1.334  -0.674
   35    HA   TRP   6           HA       TRP   6  28.229  -0.400  -0.040
   36    HD1  TRP   6           HD1      TRP   6  30.868   0.914  -1.093
   37    HE1  TRP   6           HE1      TRP   6  33.015   0.976   0.300
   38    HE3  TRP   6           HE3      TRP   6  28.936   2.866   3.223
   39    HZ2  TRP   6           HZ2      TRP   6  33.804   1.876   2.916
   40    HZ3  TRP   6           HZ3      TRP   6  30.433   3.386   5.136
   41    HH2  TRP   6           HH2      TRP   6  32.861   2.904   4.996
   42    HB2  TRP   6           HB2      TRP   6  28.450   1.970  -0.807
   43    HB3  TRP   6           HB3      TRP   6  27.995   2.514   0.801
   44    H    LEU   7           H        LEU   7  26.277   1.493   2.323
   45    HA   LEU   7           HA       LEU   7  27.433   0.249   4.653
   46    HG   LEU   7           HG       LEU   7  26.753   3.070   4.077
   47    HB2  LEU   7           HB2      LEU   7  24.714   1.537   4.207
   48    HB3  LEU   7           HB3      LEU   7  25.300   1.002   5.781
   49   HD11  LEU   7          HD11      LEU   7  24.537   3.902   4.703
   50   HD12  LEU   7          HD12      LEU   7  24.828   3.463   6.402
   51   HD13  LEU   7          HD13      LEU   7  25.795   4.737   5.629
   52   HD21  LEU   7          HD23      LEU   7  27.888   3.632   6.205
   53   HD22  LEU   7          HD21      LEU   7  27.024   2.318   7.024
   54   HD23  LEU   7          HD22      LEU   7  28.211   1.959   5.751
   55    H    LYS   8           H        LYS   8  24.374  -0.592   2.906
   56    HA   LYS   8           HA       LYS   8  23.641  -2.796   4.524
   57    HB2  LYS   8           HB2      LYS   8  23.207  -2.324   1.543
   58    HB3  LYS   8           HB3      LYS   8  22.550  -3.697   2.402
   59    HG2  LYS   8           HG2      LYS   8  21.742  -1.511   3.995
   60    HG3  LYS   8           HG3      LYS   8  21.614  -0.914   2.339
   61    HD2  LYS   8           HD2      LYS   8  19.492  -1.874   2.805
   62    HD3  LYS   8           HD3      LYS   8  20.322  -3.022   1.758
   63    HE2  LYS   8           HE2      LYS   8  19.391  -4.392   3.429
   64    HE3  LYS   8           HE3      LYS   8  21.080  -4.224   3.920
   65    HZ1  LYS   8           HZ3      LYS   8  19.633  -3.874   5.795
   66    HZ2  LYS   8           HZ1      LYS   8  20.349  -2.438   5.432
   67    HZ3  LYS   8           HZ2      LYS   8  18.783  -2.706   5.010
   68    H    ASP   9           H        ASP   9  25.920  -2.845   1.799
   69    HA   ASP   9           HA       ASP   9  26.288  -5.702   1.807
   70    HB2  ASP   9           HB2      ASP   9  28.086  -3.450   0.841
   71    HB3  ASP   9           HB3      ASP   9  28.305  -5.165   0.466
   72    H    GLY  10           H        GLY  10  27.334  -3.442   4.142
   73    HA2  GLY  10           HA2      GLY  10  28.452  -4.371   6.134
   74    HA3  GLY  10           HA3      GLY  10  29.563  -5.240   5.076
   75    H    GLY  11           H        GLY  11  28.720  -1.920   4.225
   76    HA2  GLY  11           HA2      GLY  11  29.993  -0.041   4.036
   77    HA3  GLY  11           HA3      GLY  11  30.668  -0.436   5.612
   78    HA   PRO  12           HA       PRO  12  34.249  -0.679   2.828
   79    HB2  PRO  12           HB2      PRO  12  36.267  -0.712   4.662
   80    HB3  PRO  12           HB3      PRO  12  35.311   0.755   4.311
   81    HG2  PRO  12           HG2      PRO  12  34.962  -1.191   6.601
   82    HG3  PRO  12           HG3      PRO  12  34.967   0.601   6.652
   83    HD2  PRO  12           HD2      PRO  12  32.670  -0.925   6.572
   84    HD3  PRO  12           HD3      PRO  12  32.762   0.716   5.882
   85    H    SER  13           H        SER  13  33.188  -3.088   5.120
   86    HA   SER  13           HA       SER  13  35.251  -5.042   4.806
   87    HG   SER  13           HG       SER  13  33.992  -7.254   4.843
   88    HB2  SER  13           HB2      SER  13  33.411  -5.070   6.553
   89    HB3  SER  13           HB3      SER  13  32.296  -5.589   5.266
   90    H    SER  14           H        SER  14  32.881  -3.967   2.586
   91    HA   SER  14           HA       SER  14  32.632  -6.363   0.960
   92    HG   SER  14           HG       SER  14  30.872  -3.551   1.843
   93    HB2  SER  14           HB2      SER  14  32.153  -3.491   0.138
   94    HB3  SER  14           HB3      SER  14  31.414  -4.958  -0.542
   95    H    GLY  15           H        GLY  15  35.229  -4.113   1.299
   96    HA2  GLY  15           HA2      GLY  15  37.201  -3.939   0.092
   97    HA3  GLY  15           HA3      GLY  15  36.611  -5.146  -1.048
   98    H    ARG  16           H        ARG  16  34.494  -2.478  -0.651
   99    HA   ARG  16           HA       ARG  16  35.405  -1.238  -3.207
  100    HE   ARG  16           HE       ARG  16  29.713  -3.187  -1.332
  101    HB2  ARG  16           HB2      ARG  16  32.968  -0.296  -3.200
  102    HB3  ARG  16           HB3      ARG  16  33.347  -1.896  -3.829
  103    HG2  ARG  16           HG2      ARG  16  32.508  -3.001  -1.929
  104    HG3  ARG  16           HG3      ARG  16  32.320  -1.496  -0.997
  105    HD2  ARG  16           HD2      ARG  16  30.348  -0.953  -2.023
  106    HD3  ARG  16           HD3      ARG  16  30.858  -1.569  -3.587
  107   HH11  ARG  16          HH11      ARG  16  30.239  -2.913  -4.780
  108   HH12  ARG  16          HH12      ARG  16  29.409  -4.414  -5.104
  109   HH21  ARG  16          HH21      ARG  16  28.313  -4.676  -2.001
  110   HH22  ARG  16          HH22      ARG  16  28.568  -5.611  -3.431
  111    HA   PRO  17           HA       PRO  17  36.515   2.313  -0.703
  112    HB2  PRO  17           HB2      PRO  17  36.089   3.713  -3.353
  113    HB3  PRO  17           HB3      PRO  17  37.416   3.928  -2.169
  114    HG2  PRO  17           HG2      PRO  17  37.802   2.426  -4.388
  115    HG3  PRO  17           HG3      PRO  17  38.417   1.852  -2.803
  116    HD2  PRO  17           HD2      PRO  17  35.908   1.010  -4.264
  117    HD3  PRO  17           HD3      PRO  17  37.111   0.012  -3.388
  118    HA   PRO  18           HA       PRO  18  32.422   3.984   0.181
  119    HB2  PRO  18           HB2      PRO  18  33.146   6.244   1.661
  120    HB3  PRO  18           HB3      PRO  18  32.988   4.589   2.287
  121    HG2  PRO  18           HG2      PRO  18  35.478   6.054   1.431
  122    HG3  PRO  18           HG3      PRO  18  35.256   4.946   2.823
  123    HD2  PRO  18           HD2      PRO  18  36.454   4.172   0.500
  124    HD3  PRO  18           HD3      PRO  18  35.442   3.046   1.453
  125    HA   PRO  19           HA       PRO  19  32.316   7.209  -3.021
  126    HB2  PRO  19           HB2      PRO  19  29.683   7.152  -3.670
  127    HB3  PRO  19           HB3      PRO  19  30.798   5.814  -4.055
  128    HG2  PRO  19           HG2      PRO  19  28.865   5.995  -1.741
  129    HG3  PRO  19           HG3      PRO  19  29.143   4.624  -2.847
  130    HD2  PRO  19           HD2      PRO  19  30.340   4.863  -0.351
  131    HD3  PRO  19           HD3      PRO  19  31.067   3.965  -1.715
  132    H    SER  20           H        SER  20  32.968   8.393  -0.891
  133    HA   SER  20           HA       SER  20  31.329  10.831  -0.731
  134    HG   SER  20           HG       SER  20  29.796  10.353   0.601
  135    HB2  SER  20           HB2      SER  20  32.087   9.139   1.692
  136    HB3  SER  20           HB3      SER  20  31.855  10.892   1.807
  Start of MODEL   14
    1    HA   ASP   1           HA       ASP   1  23.457   8.375  -4.239
    2    H1   ASP   1           H1       ASP   1  21.554   7.200  -5.268
    3    H2   ASP   1           H2       ASP   1  20.915   6.998  -3.753
    4    H3   ASP   1           H3       ASP   1  21.085   8.518  -4.364
    5    HB2  ASP   1           HB2      ASP   1  23.715   8.188  -1.818
    6    HB3  ASP   1           HB3      ASP   1  22.176   8.989  -2.169
    7    H    ALA   2           H        ALA   2  25.315   7.039  -3.326
    8    HA   ALA   2           HA       ALA   2  24.937   4.113  -3.838
    9    HB1  ALA   2           HB3      ALA   2  27.615   4.441  -3.948
   10    HB2  ALA   2           HB1      ALA   2  26.548   4.626  -5.346
   11    HB3  ALA   2           HB2      ALA   2  27.118   6.061  -4.470
   12    H    TYR   3           H        TYR   3  25.539   6.379  -1.285
   13    HA   TYR   3           HA       TYR   3  27.251   4.781   0.348
   14    HD1  TYR   3           HD1      TYR   3  28.973   6.334   1.702
   15    HD2  TYR   3           HD2      TYR   3  25.075   6.528   3.548
   16    HE1  TYR   3           HE1      TYR   3  30.030   6.163   3.940
   17    HE2  TYR   3           HE2      TYR   3  26.151   6.417   5.797
   18    HH   TYR   3           HH       TYR   3  29.616   6.563   6.247
   19    HB2  TYR   3           HB2      TYR   3  26.893   7.254   0.516
   20    HB3  TYR   3           HB3      TYR   3  25.301   6.946   1.199
   21    H    ALA   4           H        ALA   4  23.612   5.007   0.207
   22    HA   ALA   4           HA       ALA   4  23.092   3.234   2.351
   23    HB1  ALA   4           HB3      ALA   4  20.942   2.858   1.178
   24    HB2  ALA   4           HB1      ALA   4  21.382   4.578   1.195
   25    HB3  ALA   4           HB2      ALA   4  21.601   3.627  -0.285
   26    H    GLN   5           H        GLN   5  23.846   2.474  -1.082
   27    HA   GLN   5           HA       GLN   5  23.520  -0.376  -0.717
   28    HB2  GLN   5           HB2      GLN   5  23.530   1.024  -2.960
   29    HB3  GLN   5           HB3      GLN   5  25.284   0.792  -2.874
   30    HG2  GLN   5           HG2      GLN   5  24.471  -1.771  -2.344
   31    HG3  GLN   5           HG3      GLN   5  23.069  -1.213  -3.255
   32   HE21  GLN   5          HE22      GLN   5  26.403  -2.382  -3.446
   33   HE22  GLN   5          HE21      GLN   5  26.312  -2.239  -5.241
   34    H    TRP   6           H        TRP   6  26.376   1.808  -0.725
   35    HA   TRP   6           HA       TRP   6  28.405  -0.086  -0.276
   36    HD1  TRP   6           HD1      TRP   6  31.081   1.230  -0.986
   37    HE1  TRP   6           HE1      TRP   6  33.131   0.935   0.520
   38    HE3  TRP   6           HE3      TRP   6  28.979   2.686   3.436
   39    HZ2  TRP   6           HZ2      TRP   6  33.815   1.501   3.279
   40    HZ3  TRP   6           HZ3      TRP   6  30.371   2.875   5.485
   41    HH2  TRP   6           HH2      TRP   6  32.790   2.309   5.414
   42    HB2  TRP   6           HB2      TRP   6  28.717   2.355  -0.693
   43    HB3  TRP   6           HB3      TRP   6  28.165   2.693   0.944
   44    H    LEU   7           H        LEU   7  26.353   1.518   2.217
   45    HA   LEU   7           HA       LEU   7  27.344  -0.027   4.416
   46    HG   LEU   7           HG       LEU   7  26.759   2.822   4.255
   47    HB2  LEU   7           HB2      LEU   7  24.683   1.349   3.940
   48    HB3  LEU   7           HB3      LEU   7  25.098   0.564   5.462
   49   HD11  LEU   7          HD11      LEU   7  24.583   3.711   4.722
   50   HD12  LEU   7          HD12      LEU   7  24.484   2.850   6.279
   51   HD13  LEU   7          HD13      LEU   7  25.632   4.181   6.071
   52   HD21  LEU   7          HD23      LEU   7  27.688   3.032   6.507
   53   HD22  LEU   7          HD21      LEU   7  26.675   1.693   7.088
   54   HD23  LEU   7          HD22      LEU   7  27.976   1.395   5.915
   55    H    LYS   8           H        LYS   8  24.518  -0.747   2.258
   56    HA   LYS   8           HA       LYS   8  23.761  -3.201   3.499
   57    HB2  LYS   8           HB2      LYS   8  23.673  -2.409   0.556
   58    HB3  LYS   8           HB3      LYS   8  23.130  -3.966   1.154
   59    HG2  LYS   8           HG2      LYS   8  21.551  -2.646   2.726
   60    HG3  LYS   8           HG3      LYS   8  21.914  -1.255   1.684
   61    HD2  LYS   8           HD2      LYS   8  21.398  -3.165  -0.222
   62    HD3  LYS   8           HD3      LYS   8  20.408  -3.792   1.103
   63    HE2  LYS   8           HE2      LYS   8  19.283  -1.545   1.240
   64    HE3  LYS   8           HE3      LYS   8  20.287  -0.999  -0.115
   65    HZ1  LYS   8           HZ3      LYS   8  18.160  -1.744  -0.931
   66    HZ2  LYS   8           HZ1      LYS   8  19.310  -2.802  -1.445
   67    HZ3  LYS   8           HZ2      LYS   8  18.320  -3.210  -0.200
   68    H    ASP   9           H        ASP   9  26.337  -2.672   1.106
   69    HA   ASP   9           HA       ASP   9  27.052  -5.469   0.909
   70    HB2  ASP   9           HB2      ASP   9  28.594  -2.976   0.098
   71    HB3  ASP   9           HB3      ASP   9  28.973  -4.633  -0.382
   72    H    GLY  10           H        GLY  10  27.099  -4.193   3.684
   73    HA2  GLY  10           HA2      GLY  10  28.162  -4.756   5.649
   74    HA3  GLY  10           HA3      GLY  10  29.461  -5.544   4.753
   75    H    GLY  11           H        GLY  11  28.495  -2.230   4.067
   76    HA2  GLY  11           HA2      GLY  11  29.702  -0.289   3.983
   77    HA3  GLY  11           HA3      GLY  11  30.254  -0.665   5.611
   78    HA   PRO  12           HA       PRO  12  34.124  -0.977   3.286
   79    HB2  PRO  12           HB2      PRO  12  35.917  -1.205   5.325
   80    HB3  PRO  12           HB3      PRO  12  35.039   0.308   4.966
   81    HG2  PRO  12           HG2      PRO  12  34.424  -1.736   7.103
   82    HG3  PRO  12           HG3      PRO  12  34.410   0.052   7.219
   83    HD2  PRO  12           HD2      PRO  12  32.157  -1.532   6.794
   84    HD3  PRO  12           HD3      PRO  12  32.280   0.180   6.310
   85    H    SER  13           H        SER  13  32.628  -3.546   5.030
   86    HA   SER  13           HA       SER  13  34.655  -5.480   5.223
   87    HG   SER  13           HG       SER  13  33.444  -7.720   4.657
   88    HB2  SER  13           HB2      SER  13  32.368  -5.631   6.237
   89    HB3  SER  13           HB3      SER  13  31.720  -5.988   4.621
   90    H    SER  14           H        SER  14  32.823  -4.591   2.309
   91    HA   SER  14           HA       SER  14  33.721  -6.942   0.801
   92    HG   SER  14           HG       SER  14  30.824  -4.837   1.162
   93    HB2  SER  14           HB2      SER  14  32.543  -5.320  -1.019
   94    HB3  SER  14           HB3      SER  14  31.660  -6.466  -0.013
   95    H    GLY  15           H        GLY  15  35.234  -4.026   1.628
   96    HA2  GLY  15           HA2      GLY  15  37.301  -3.272   0.963
   97    HA3  GLY  15           HA3      GLY  15  37.322  -4.453  -0.343
   98    H    ARG  16           H        ARG  16  34.577  -3.060  -1.084
   99    HA   ARG  16           HA       ARG  16  35.463  -1.289  -3.134
  100    HE   ARG  16           HE       ARG  16  29.833  -1.423  -2.817
  101    HB2  ARG  16           HB2      ARG  16  33.085  -0.658  -3.353
  102    HB3  ARG  16           HB3      ARG  16  33.391  -2.387  -3.360
  103    HG2  ARG  16           HG2      ARG  16  32.816  -2.012  -0.688
  104    HG3  ARG  16           HG3      ARG  16  31.860  -0.730  -1.406
  105    HD2  ARG  16           HD2      ARG  16  31.760  -3.648  -2.236
  106    HD3  ARG  16           HD3      ARG  16  30.678  -2.906  -1.055
  107   HH11  ARG  16          HH11      ARG  16  30.989  -4.599  -3.696
  108   HH12  ARG  16          HH12      ARG  16  29.913  -4.722  -5.061
  109   HH21  ARG  16          HH21      ARG  16  28.436  -1.681  -4.479
  110   HH22  ARG  16          HH22      ARG  16  28.615  -3.020  -5.582
  111    HA   PRO  17           HA       PRO  17  36.614   2.187  -0.527
  112    HB2  PRO  17           HB2      PRO  17  36.324   3.673  -3.144
  113    HB3  PRO  17           HB3      PRO  17  37.620   3.797  -1.915
  114    HG2  PRO  17           HG2      PRO  17  38.010   2.350  -4.172
  115    HG3  PRO  17           HG3      PRO  17  38.563   1.710  -2.590
  116    HD2  PRO  17           HD2      PRO  17  36.062   1.000  -4.136
  117    HD3  PRO  17           HD3      PRO  17  37.210  -0.067  -3.268
  118    HA   PRO  18           HA       PRO  18  32.484   3.818   0.188
  119    HB2  PRO  18           HB2      PRO  18  33.131   5.936   1.924
  120    HB3  PRO  18           HB3      PRO  18  32.812   4.250   2.378
  121    HG2  PRO  18           HG2      PRO  18  35.453   5.628   1.953
  122    HG3  PRO  18           HG3      PRO  18  35.022   4.389   3.175
  123    HD2  PRO  18           HD2      PRO  18  36.446   3.809   0.922
  124    HD3  PRO  18           HD3      PRO  18  35.286   2.642   1.625
  125    HA   PRO  19           HA       PRO  19  32.420   7.315  -2.650
  126    HB2  PRO  19           HB2      PRO  19  29.748   7.753  -2.828
  127    HB3  PRO  19           HB3      PRO  19  30.523   6.285  -3.498
  128    HG2  PRO  19           HG2      PRO  19  29.077   6.576  -0.846
  129    HG3  PRO  19           HG3      PRO  19  28.896   5.286  -2.071
  130    HD2  PRO  19           HD2      PRO  19  30.511   5.045   0.148
  131    HD3  PRO  19           HD3      PRO  19  30.869   4.233  -1.406
  132    H    SER  20           H        SER  20  33.375   9.049  -1.696
  133    HA   SER  20           HA       SER  20  31.674  10.998  -0.263
  134    HG   SER  20           HG       SER  20  34.880  10.660  -0.270
  135    HB2  SER  20           HB2      SER  20  33.322  11.363   1.474
  136    HB3  SER  20           HB3      SER  20  32.951   9.618   1.475
  Start of MODEL   15
    1    HA   ASP   1           HA       ASP   1  22.221   7.226  -3.247
    2    H1   ASP   1           H1       ASP   1  23.968   8.527  -2.375
    3    H2   ASP   1           H2       ASP   1  24.816   8.493  -3.803
    4    H3   ASP   1           H3       ASP   1  23.385   9.277  -3.744
    5    HB2  ASP   1           HB2      ASP   1  23.684   7.435  -5.898
    6    HB3  ASP   1           HB3      ASP   1  22.259   6.425  -5.579
    7    H    ALA   2           H        ALA   2  25.198   6.176  -4.984
    8    HA   ALA   2           HA       ALA   2  25.149   3.562  -4.354
    9    HB1  ALA   2           HB3      ALA   2  27.608   3.630  -4.820
   10    HB2  ALA   2           HB1      ALA   2  26.655   4.580  -5.969
   11    HB3  ALA   2           HB2      ALA   2  27.567   5.392  -4.674
   12    H    TYR   3           H        TYR   3  26.223   5.995  -2.054
   13    HA   TYR   3           HA       TYR   3  27.611   4.389  -0.187
   14    HD1  TYR   3           HD2      TYR   3  26.173   5.710   2.978
   15    HD2  TYR   3           HD1      TYR   3  29.466   6.923   0.475
   16    HE1  TYR   3           HE2      TYR   3  27.708   5.756   4.960
   17    HE2  TYR   3           HE1      TYR   3  30.977   6.918   2.415
   18    HH   TYR   3           HH       TYR   3  31.090   6.757   4.709
   19    HB2  TYR   3           HB2      TYR   3  27.262   6.978  -0.377
   20    HB3  TYR   3           HB3      TYR   3  25.844   6.705   0.622
   21    H    ALA   4           H        ALA   4  24.097   4.755  -0.727
   22    HA   ALA   4           HA       ALA   4  23.194   3.605   1.745
   23    HB1  ALA   4           HB3      ALA   4  21.084   3.291   0.512
   24    HB2  ALA   4           HB1      ALA   4  21.757   4.899   0.183
   25    HB3  ALA   4           HB2      ALA   4  21.907   3.609  -1.029
   26    H    GLN   5           H        GLN   5  24.016   2.182  -1.435
   27    HA   GLN   5           HA       GLN   5  23.491  -0.546  -0.604
   28    HB2  GLN   5           HB2      GLN   5  23.608   0.417  -3.035
   29    HB3  GLN   5           HB3      GLN   5  25.361   0.217  -2.856
   30    HG2  GLN   5           HG2      GLN   5  24.667  -2.230  -2.012
   31    HG3  GLN   5           HG3      GLN   5  23.161  -1.870  -2.847
   32   HE21  GLN   5          HE22      GLN   5  26.400  -2.986  -3.178
   33   HE22  GLN   5          HE21      GLN   5  26.289  -3.109  -4.956
   34    H    TRP   6           H        TRP   6  26.448   1.488  -0.851
   35    HA   TRP   6           HA       TRP   6  28.377  -0.393  -0.088
   36    HD1  TRP   6           HD1      TRP   6  31.059   0.615  -1.030
   37    HE1  TRP   6           HE1      TRP   6  33.226   0.717   0.345
   38    HE3  TRP   6           HE3      TRP   6  29.201   2.880   3.169
   39    HZ2  TRP   6           HZ2      TRP   6  34.001   1.568   2.988
   40    HZ3  TRP   6           HZ3      TRP   6  30.682   3.329   5.108
   41    HH2  TRP   6           HH2      TRP   6  33.078   2.676   5.034
   42    HB2  TRP   6           HB2      TRP   6  28.742   1.989  -0.820
   43    HB3  TRP   6           HB3      TRP   6  28.280   2.509   0.795
   44    H    LEU   7           H        LEU   7  26.415   1.631   2.187
   45    HA   LEU   7           HA       LEU   7  27.335   0.288   4.554
   46    HG   LEU   7           HG       LEU   7  26.795   3.206   4.008
   47    HB2  LEU   7           HB2      LEU   7  24.738   1.743   3.962
   48    HB3  LEU   7           HB3      LEU   7  25.177   1.134   5.558
   49   HD11  LEU   7          HD11      LEU   7  24.612   4.078   4.681
   50   HD12  LEU   7          HD12      LEU   7  24.838   3.463   6.335
   51   HD13  LEU   7          HD13      LEU   7  25.860   4.773   5.727
   52   HD21  LEU   7          HD23      LEU   7  27.922   3.591   6.190
   53   HD22  LEU   7          HD21      LEU   7  27.039   2.217   6.887
   54   HD23  LEU   7          HD22      LEU   7  28.228   1.966   5.588
   55    H    LYS   8           H        LYS   8  24.456  -0.471   2.512
   56    HA   LYS   8           HA       LYS   8  23.510  -2.692   4.038
   57    HB2  LYS   8           HB2      LYS   8  23.398  -2.095   1.061
   58    HB3  LYS   8           HB3      LYS   8  22.668  -3.532   1.762
   59    HG2  LYS   8           HG2      LYS   8  21.153  -2.225   3.123
   60    HG3  LYS   8           HG3      LYS   8  21.976  -0.722   2.698
   61    HD2  LYS   8           HD2      LYS   8  19.976  -0.825   1.384
   62    HD3  LYS   8           HD3      LYS   8  21.344  -1.087   0.294
   63    HE2  LYS   8           HE2      LYS   8  20.931  -3.590   0.518
   64    HE3  LYS   8           HE3      LYS   8  19.485  -3.210   1.465
   65    HZ1  LYS   8           HZ3      LYS   8  18.915  -3.562  -0.835
   66    HZ2  LYS   8           HZ1      LYS   8  18.661  -1.976  -0.481
   67    HZ3  LYS   8           HZ2      LYS   8  19.985  -2.427  -1.347
   68    H    ASP   9           H        ASP   9  26.059  -2.632   1.564
   69    HA   ASP   9           HA       ASP   9  26.582  -5.488   1.709
   70    HB2  ASP   9           HB2      ASP   9  28.219  -3.233   0.494
   71    HB3  ASP   9           HB3      ASP   9  28.467  -4.962   0.224
   72    H    GLY  10           H        GLY  10  26.887  -3.746   4.247
   73    HA2  GLY  10           HA2      GLY  10  28.020  -4.250   6.214
   74    HA3  GLY  10           HA3      GLY  10  29.244  -5.147   5.318
   75    H    GLY  11           H        GLY  11  28.416  -1.899   4.294
   76    HA2  GLY  11           HA2      GLY  11  29.629   0.026   4.119
   77    HA3  GLY  11           HA3      GLY  11  30.228  -0.272   5.747
   78    HA   PRO  12           HA       PRO  12  34.006  -0.842   3.305
   79    HB2  PRO  12           HB2      PRO  12  35.861  -1.009   5.295
   80    HB3  PRO  12           HB3      PRO  12  35.036   0.517   4.866
   81    HG2  PRO  12           HG2      PRO  12  34.390  -1.374   7.135
   82    HG3  PRO  12           HG3      PRO  12  34.485   0.416   7.161
   83    HD2  PRO  12           HD2      PRO  12  32.125  -1.017   6.907
   84    HD3  PRO  12           HD3      PRO  12  32.348   0.632   6.258
   85    H    SER  13           H        SER  13  32.506  -3.219   5.304
   86    HA   SER  13           HA       SER  13  34.451  -5.238   5.499
   87    HG   SER  13           HG       SER  13  33.424  -7.155   6.433
   88    HB2  SER  13           HB2      SER  13  32.207  -5.186   6.618
   89    HB3  SER  13           HB3      SER  13  31.463  -5.613   5.063
   90    H    SER  14           H        SER  14  32.334  -4.495   2.707
   91    HA   SER  14           HA       SER  14  33.072  -6.799   1.151
   92    HG   SER  14           HG       SER  14  30.376  -4.733   1.642
   93    HB2  SER  14           HB2      SER  14  32.152  -4.783  -0.579
   94    HB3  SER  14           HB3      SER  14  31.217  -6.109   0.105
   95    H    GLY  15           H        GLY  15  34.987  -4.095   1.956
   96    HA2  GLY  15           HA2      GLY  15  37.040  -3.440   1.190
   97    HA3  GLY  15           HA3      GLY  15  37.017  -4.783   0.050
   98    H    ARG  16           H        ARG  16  34.308  -2.903  -0.521
   99    HA   ARG  16           HA       ARG  16  35.330  -1.862  -3.027
  100    HE   ARG  16           HE       ARG  16  30.883   1.003  -4.037
  101    HB2  ARG  16           HB2      ARG  16  33.119  -2.715  -2.971
  102    HB3  ARG  16           HB3      ARG  16  32.658  -1.702  -1.596
  103    HG2  ARG  16           HG2      ARG  16  32.634   0.285  -2.915
  104    HG3  ARG  16           HG3      ARG  16  33.427  -0.505  -4.291
  105    HD2  ARG  16           HD2      ARG  16  31.543  -1.622  -4.966
  106    HD3  ARG  16           HD3      ARG  16  30.859  -1.710  -3.330
  107   HH11  ARG  16          HH11      ARG  16  29.295  -1.872  -5.229
  108   HH12  ARG  16          HH12      ARG  16  27.779  -1.067  -5.535
  109   HH21  ARG  16          HH21      ARG  16  28.907   2.005  -4.404
  110   HH22  ARG  16          HH22      ARG  16  27.608   1.110  -5.145
  111    HA   PRO  17           HA       PRO  17  36.912   2.098  -1.665
  112    HB2  PRO  17           HB2      PRO  17  35.686   2.941  -4.304
  113    HB3  PRO  17           HB3      PRO  17  37.238   3.454  -3.569
  114    HG2  PRO  17           HG2      PRO  17  37.205   1.504  -5.441
  115    HG3  PRO  17           HG3      PRO  17  38.220   1.310  -3.973
  116    HD2  PRO  17           HD2      PRO  17  35.544   0.080  -4.596
  117    HD3  PRO  17           HD3      PRO  17  36.961  -0.638  -3.775
  118    HA   PRO  18           HA       PRO  18  33.011   3.749   0.044
  119    HB2  PRO  18           HB2      PRO  18  34.111   5.693   1.680
  120    HB3  PRO  18           HB3      PRO  18  33.975   3.972   2.099
  121    HG2  PRO  18           HG2      PRO  18  36.375   5.438   1.019
  122    HG3  PRO  18           HG3      PRO  18  36.308   4.211   2.325
  123    HD2  PRO  18           HD2      PRO  18  37.065   3.615  -0.220
  124    HD3  PRO  18           HD3      PRO  18  36.151   2.444   0.781
  125    HA   PRO  19           HA       PRO  19  33.067   7.317  -2.824
  126    HB2  PRO  19           HB2      PRO  19  30.365   7.654  -3.120
  127    HB3  PRO  19           HB3      PRO  19  31.297   6.383  -3.964
  128    HG2  PRO  19           HG2      PRO  19  29.529   6.110  -1.551
  129    HG3  PRO  19           HG3      PRO  19  29.760   4.976  -2.906
  130    HD2  PRO  19           HD2      PRO  19  31.016   4.808  -0.392
  131    HD3  PRO  19           HD3      PRO  19  31.577   3.991  -1.879
  132    H    SER  20           H        SER  20  32.789   9.599  -2.450
  133    HA   SER  20           HA       SER  20  31.121  10.727  -0.407
  134    HG   SER  20           HG       SER  20  32.250   9.091   0.883
  135    HB2  SER  20           HB2      SER  20  34.126  10.538   0.075
  136    HB3  SER  20           HB3      SER  20  33.090  11.768   0.837
  Start of MODEL   16
    1    HA   ASP   1           HA       ASP   1  25.120   8.835  -3.911
    2    H1   ASP   1           H1       ASP   1  24.101   8.686  -6.048
    3    H2   ASP   1           H2       ASP   1  22.607   8.554  -5.391
    4    H3   ASP   1           H3       ASP   1  23.442   9.979  -5.244
    5    HB2  ASP   1           HB2      ASP   1  23.029  10.041  -2.997
    6    HB3  ASP   1           HB3      ASP   1  22.354   8.432  -2.724
    7    H    ALA   2           H        ALA   2  25.617   6.871  -2.711
    8    HA   ALA   2           HA       ALA   2  24.174   4.416  -3.453
    9    HB1  ALA   2           HB3      ALA   2  26.215   3.236  -4.166
   10    HB2  ALA   2           HB1      ALA   2  25.854   4.610  -5.224
   11    HB3  ALA   2           HB2      ALA   2  27.150   4.740  -4.022
   12    H    TYR   3           H        TYR   3  25.115   6.240  -0.941
   13    HA   TYR   3           HA       TYR   3  26.910   4.657   0.581
   14    HD1  TYR   3           HD1      TYR   3  28.555   6.526   1.755
   15    HD2  TYR   3           HD2      TYR   3  24.893   5.985   3.970
   16    HE1  TYR   3           HE1      TYR   3  29.867   6.282   3.850
   17    HE2  TYR   3           HE2      TYR   3  26.216   5.813   6.085
   18    HH   TYR   3           HH       TYR   3  29.755   5.659   6.081
   19    HB2  TYR   3           HB2      TYR   3  26.305   7.120   0.815
   20    HB3  TYR   3           HB3      TYR   3  24.831   6.612   1.625
   21    H    ALA   4           H        ALA   4  23.350   4.714   0.524
   22    HA   ALA   4           HA       ALA   4  22.804   2.891   2.621
   23    HB1  ALA   4           HB3      ALA   4  20.666   2.546   1.470
   24    HB2  ALA   4           HB1      ALA   4  21.110   4.261   1.402
   25    HB3  ALA   4           HB2      ALA   4  21.323   3.230  -0.031
   26    H    GLN   5           H        GLN   5  23.600   2.236  -0.809
   27    HA   GLN   5           HA       GLN   5  23.366  -0.645  -0.529
   28    HB2  GLN   5           HB2      GLN   5  23.089   0.808  -2.666
   29    HB3  GLN   5           HB3      GLN   5  24.858   0.791  -2.747
   30    HG2  GLN   5           HG2      GLN   5  24.807  -1.712  -2.737
   31    HG3  GLN   5           HG3      GLN   5  23.041  -1.670  -2.635
   32   HE21  GLN   5          HE22      GLN   5  21.820  -0.761  -4.519
   33   HE22  GLN   5          HE21      GLN   5  22.644  -0.787  -6.077
   34    H    TRP   6           H        TRP   6  26.092   1.700  -0.579
   35    HA   TRP   6           HA       TRP   6  28.248  -0.081  -0.322
   36    HD1  TRP   6           HD1      TRP   6  30.801   1.052  -0.922
   37    HE1  TRP   6           HE1      TRP   6  32.920   1.007   0.545
   38    HE3  TRP   6           HE3      TRP   6  28.832   2.859   3.462
   39    HZ2  TRP   6           HZ2      TRP   6  33.711   1.912   3.116
   40    HZ3  TRP   6           HZ3      TRP   6  30.315   3.243   5.419
   41    HH2  TRP   6           HH2      TRP   6  32.760   2.821   5.249
   42    HB2  TRP   6           HB2      TRP   6  28.419   2.384  -0.599
   43    HB3  TRP   6           HB3      TRP   6  27.900   2.603   1.067
   44    H    LEU   7           H        LEU   7  26.241   1.243   2.365
   45    HA   LEU   7           HA       LEU   7  27.442  -0.339   4.430
   46    HG   LEU   7           HG       LEU   7  26.456   2.516   4.284
   47    HB2  LEU   7           HB2      LEU   7  24.617   0.747   4.163
   48    HB3  LEU   7           HB3      LEU   7  25.276   0.046   5.639
   49   HD11  LEU   7          HD11      LEU   7  24.185   2.983   5.014
   50   HD12  LEU   7          HD12      LEU   7  24.496   2.237   6.601
   51   HD13  LEU   7          HD13      LEU   7  25.319   3.736   6.144
   52   HD21  LEU   7          HD23      LEU   7  27.574   2.882   6.427
   53   HD22  LEU   7          HD21      LEU   7  26.885   1.377   7.075
   54   HD23  LEU   7          HD22      LEU   7  28.067   1.329   5.745
   55    H    LYS   8           H        LYS   8  24.684  -1.156   2.262
   56    HA   LYS   8           HA       LYS   8  24.051  -3.678   3.459
   57    HB2  LYS   8           HB2      LYS   8  23.733  -2.761   0.568
   58    HB3  LYS   8           HB3      LYS   8  23.146  -4.286   1.190
   59    HG2  LYS   8           HG2      LYS   8  22.212  -2.253   2.998
   60    HG3  LYS   8           HG3      LYS   8  21.922  -1.659   1.365
   61    HD2  LYS   8           HD2      LYS   8  21.067  -4.425   2.324
   62    HD3  LYS   8           HD3      LYS   8  20.043  -2.982   2.421
   63    HE2  LYS   8           HE2      LYS   8  20.272  -2.662  -0.042
   64    HE3  LYS   8           HE3      LYS   8  21.213  -4.158  -0.142
   65    HZ1  LYS   8           HZ3      LYS   8  18.844  -4.484  -0.642
   66    HZ2  LYS   8           HZ1      LYS   8  19.300  -5.367   0.669
   67    HZ3  LYS   8           HZ2      LYS   8  18.435  -3.984   0.870
   68    H    ASP   9           H        ASP   9  26.551  -2.940   1.031
   69    HA   ASP   9           HA       ASP   9  27.445  -5.703   0.819
   70    HB2  ASP   9           HB2      ASP   9  28.776  -3.067   0.102
   71    HB3  ASP   9           HB3      ASP   9  29.464  -4.650  -0.261
   72    H    GLY  10           H        GLY  10  27.408  -4.223   3.685
   73    HA2  GLY  10           HA2      GLY  10  28.635  -4.765   5.612
   74    HA3  GLY  10           HA3      GLY  10  29.879  -5.540   4.629
   75    H    GLY  11           H        GLY  11  28.874  -2.343   3.690
   76    HA2  GLY  11           HA2      GLY  11  29.934  -0.326   3.597
   77    HA3  GLY  11           HA3      GLY  11  30.411  -0.618   5.261
   78    HA   PRO  12           HA       PRO  12  34.408  -0.529   3.139
   79    HB2  PRO  12           HB2      PRO  12  36.080  -0.388   5.288
   80    HB3  PRO  12           HB3      PRO  12  35.033   0.969   4.792
   81    HG2  PRO  12           HG2      PRO  12  34.564  -1.032   7.007
   82    HG3  PRO  12           HG3      PRO  12  34.305   0.742   7.022
   83    HD2  PRO  12           HD2      PRO  12  32.314  -1.150   6.565
   84    HD3  PRO  12           HD3      PRO  12  32.240   0.534   5.987
   85    H    SER  13           H        SER  13  33.160  -3.148   5.006
   86    HA   SER  13           HA       SER  13  35.582  -4.682   5.260
   87    HG   SER  13           HG       SER  13  35.156  -6.242   6.870
   88    HB2  SER  13           HB2      SER  13  33.409  -4.759   6.649
   89    HB3  SER  13           HB3      SER  13  32.768  -5.805   5.371
   90    H    SER  14           H        SER  14  33.385  -4.337   2.598
   91    HA   SER  14           HA       SER  14  34.265  -6.843   1.282
   92    HG   SER  14           HG       SER  14  30.995  -6.131   1.612
   93    HB2  SER  14           HB2      SER  14  32.194  -4.750   0.569
   94    HB3  SER  14           HB3      SER  14  32.627  -6.102  -0.502
   95    H    GLY  15           H        GLY  15  36.060  -4.284   1.653
   96    HA2  GLY  15           HA2      GLY  15  37.865  -3.456   0.430
   97    HA3  GLY  15           HA3      GLY  15  37.493  -4.640  -0.823
   98    H    ARG  16           H        ARG  16  34.903  -2.518  -0.052
   99    HA   ARG  16           HA       ARG  16  35.176  -1.271  -2.721
  100    HE   ARG  16           HE       ARG  16  29.944  -1.744  -2.392
  101    HB2  ARG  16           HB2      ARG  16  33.250  -2.822  -2.067
  102    HB3  ARG  16           HB3      ARG  16  32.618  -1.509  -1.068
  103    HG2  ARG  16           HG2      ARG  16  32.161  -0.143  -2.988
  104    HG3  ARG  16           HG3      ARG  16  33.344  -1.012  -3.959
  105    HD2  ARG  16           HD2      ARG  16  31.545  -1.829  -4.928
  106    HD3  ARG  16           HD3      ARG  16  31.761  -3.081  -3.721
  107   HH11  ARG  16          HH11      ARG  16  29.942  -2.052  -5.886
  108   HH12  ARG  16          HH12      ARG  16  28.213  -1.809  -5.988
  109   HH21  ARG  16          HH21      ARG  16  27.624  -1.971  -2.753
  110   HH22  ARG  16          HH22      ARG  16  27.017  -1.405  -4.257
  111    HA   PRO  17           HA       PRO  17  36.000   2.478  -0.477
  112    HB2  PRO  17           HB2      PRO  17  36.017   4.350  -2.485
  113    HB3  PRO  17           HB3      PRO  17  37.304   3.127  -2.259
  114    HG2  PRO  17           HG2      PRO  17  34.943   3.020  -4.154
  115    HG3  PRO  17           HG3      PRO  17  36.663   2.653  -4.500
  116    HD2  PRO  17           HD2      PRO  17  34.813   0.717  -3.945
  117    HD3  PRO  17           HD3      PRO  17  36.525   0.555  -3.446
  118    HA   PRO  18           HA       PRO  18  31.908   4.066   0.298
  119    HB2  PRO  18           HB2      PRO  18  32.457   6.365   1.747
  120    HB3  PRO  18           HB3      PRO  18  32.509   4.708   2.397
  121    HG2  PRO  18           HG2      PRO  18  34.801   6.401   1.390
  122    HG3  PRO  18           HG3      PRO  18  34.738   5.367   2.854
  123    HD2  PRO  18           HD2      PRO  18  35.924   4.553   0.532
  124    HD3  PRO  18           HD3      PRO  18  35.048   3.405   1.591
  125    HA   PRO  19           HA       PRO  19  31.503   7.163  -2.972
  126    HB2  PRO  19           HB2      PRO  19  28.812   7.243  -3.227
  127    HB3  PRO  19           HB3      PRO  19  29.743   5.767  -3.616
  128    HG2  PRO  19           HG2      PRO  19  28.285   6.397  -1.021
  129    HG3  PRO  19           HG3      PRO  19  28.185   4.906  -2.011
  130    HD2  PRO  19           HD2      PRO  19  29.842   5.128   0.154
  131    HD3  PRO  19           HD3      PRO  19  30.250   4.136  -1.279
  132    H    SER  20           H        SER  20  32.547   8.601  -1.241
  133    HA   SER  20           HA       SER  20  30.830  10.952  -0.802
  134    HG   SER  20           HG       SER  20  29.702  10.837   0.959
  135    HB2  SER  20           HB2      SER  20  31.268   9.110   1.313
  136    HB3  SER  20           HB3      SER  20  32.431  10.414   1.607
  Start of MODEL   17
    1    HA   ASP   1           HA       ASP   1  25.439   8.237  -4.767
    2    H1   ASP   1           H1       ASP   1  23.353   8.348  -5.840
    3    H2   ASP   1           H2       ASP   1  22.539   8.460  -4.406
    4    H3   ASP   1           H3       ASP   1  23.527   9.702  -4.880
    5    HB2  ASP   1           HB2      ASP   1  23.803   8.966  -2.329
    6    HB3  ASP   1           HB3      ASP   1  25.439   8.274  -2.206
    7    H    ALA   2           H        ALA   2  26.374   6.356  -4.071
    8    HA   ALA   2           HA       ALA   2  24.594   3.999  -3.897
    9    HB1  ALA   2           HB3      ALA   2  26.670   2.767  -4.438
   10    HB2  ALA   2           HB1      ALA   2  26.311   4.030  -5.628
   11    HB3  ALA   2           HB2      ALA   2  27.582   4.290  -4.425
   12    H    TYR   3           H        TYR   3  25.865   6.059  -1.649
   13    HA   TYR   3           HA       TYR   3  27.337   4.559   0.164
   14    HD1  TYR   3           HD1      TYR   3  29.031   6.119   1.333
   15    HD2  TYR   3           HD2      TYR   3  25.199   6.701   3.235
   16    HE1  TYR   3           HE1      TYR   3  30.130   6.083   3.571
   17    HE2  TYR   3           HE2      TYR   3  26.316   6.728   5.460
   18    HH   TYR   3           HH       TYR   3  28.772   5.515   6.317
   19    HB2  TYR   3           HB2      TYR   3  26.948   7.048   0.121
   20    HB3  TYR   3           HB3      TYR   3  25.369   6.776   0.845
   21    H    ALA   4           H        ALA   4  23.777   4.856   0.064
   22    HA   ALA   4           HA       ALA   4  23.119   3.353   2.369
   23    HB1  ALA   4           HB3      ALA   4  20.948   3.000   1.197
   24    HB2  ALA   4           HB1      ALA   4  21.489   4.686   1.109
   25    HB3  ALA   4           HB2      ALA   4  21.661   3.622  -0.305
   26    H    GLN   5           H        GLN   5  23.681   2.209  -0.998
   27    HA   GLN   5           HA       GLN   5  23.280  -0.570  -0.334
   28    HB2  GLN   5           HB2      GLN   5  23.164   0.613  -2.677
   29    HB3  GLN   5           HB3      GLN   5  24.915   0.380  -2.695
   30    HG2  GLN   5           HG2      GLN   5  23.979  -2.138  -1.893
   31    HG3  GLN   5           HG3      GLN   5  22.695  -1.585  -2.962
   32   HE21  GLN   5          HE22      GLN   5  25.805  -3.084  -2.813
   33   HE22  GLN   5          HE21      GLN   5  26.072  -2.989  -4.567
   34    H    TRP   6           H        TRP   6  26.193   1.503  -0.712
   35    HA   TRP   6           HA       TRP   6  28.207  -0.395  -0.313
   36    HD1  TRP   6           HD1      TRP   6  30.827   0.733  -1.346
   37    HE1  TRP   6           HE1      TRP   6  33.091   0.727  -0.067
   38    HE3  TRP   6           HE3      TRP   6  29.263   2.652   3.138
   39    HZ2  TRP   6           HZ2      TRP   6  34.018   1.280   2.552
   40    HZ3  TRP   6           HZ3      TRP   6  30.883   2.937   5.004
   41    HH2  TRP   6           HH2      TRP   6  33.255   2.267   4.721
   42    HB2  TRP   6           HB2      TRP   6  28.519   2.022  -0.882
   43    HB3  TRP   6           HB3      TRP   6  28.160   2.441   0.786
   44    H    LEU   7           H        LEU   7  26.485   1.414   2.282
   45    HA   LEU   7           HA       LEU   7  27.647  -0.066   4.463
   46    HG   LEU   7           HG       LEU   7  27.077   2.865   4.101
   47    HB2  LEU   7           HB2      LEU   7  24.993   1.402   4.199
   48    HB3  LEU   7           HB3      LEU   7  25.598   0.737   5.715
   49   HD11  LEU   7          HD11      LEU   7  24.994   3.795   4.868
   50   HD12  LEU   7          HD12      LEU   7  25.182   3.062   6.479
   51   HD13  LEU   7          HD13      LEU   7  26.263   4.366   5.966
   52   HD21  LEU   7          HD23      LEU   7  28.364   3.201   6.157
   53   HD22  LEU   7          HD21      LEU   7  27.458   1.910   6.975
   54   HD23  LEU   7          HD22      LEU   7  28.546   1.533   5.622
   55    H    LYS   8           H        LYS   8  24.642  -0.664   2.593
   56    HA   LYS   8           HA       LYS   8  23.681  -2.863   4.105
   57    HB2  LYS   8           HB2      LYS   8  22.435  -1.550   2.396
   58    HB3  LYS   8           HB3      LYS   8  23.378  -2.337   1.122
   59    HG2  LYS   8           HG2      LYS   8  22.445  -4.484   1.612
   60    HG3  LYS   8           HG3      LYS   8  21.659  -3.890   3.088
   61    HD2  LYS   8           HD2      LYS   8  20.035  -2.689   1.940
   62    HD3  LYS   8           HD3      LYS   8  20.997  -2.518   0.470
   63    HE2  LYS   8           HE2      LYS   8  19.946  -5.210   1.417
   64    HE3  LYS   8           HE3      LYS   8  18.990  -4.126   0.394
   65    HZ1  LYS   8           HZ3      LYS   8  20.249  -5.725  -0.927
   66    HZ2  LYS   8           HZ1      LYS   8  20.744  -4.191  -1.253
   67    HZ3  LYS   8           HZ2      LYS   8  21.671  -5.166  -0.313
   68    H    ASP   9           H        ASP   9  26.078  -2.893   1.462
   69    HA   ASP   9           HA       ASP   9  26.445  -5.788   1.535
   70    HB2  ASP   9           HB2      ASP   9  28.071  -3.497   0.377
   71    HB3  ASP   9           HB3      ASP   9  28.557  -5.187   0.244
   72    H    GLY  10           H        GLY  10  27.262  -3.550   3.933
   73    HA2  GLY  10           HA2      GLY  10  28.365  -4.258   5.930
   74    HA3  GLY  10           HA3      GLY  10  29.432  -5.306   5.003
   75    H    GLY  11           H        GLY  11  29.056  -2.228   3.515
   76    HA2  GLY  11           HA2      GLY  11  30.420  -0.484   3.156
   77    HA3  GLY  11           HA3      GLY  11  30.551  -0.396   4.902
   78    HA   PRO  12           HA       PRO  12  34.958  -0.990   4.067
   79    HB2  PRO  12           HB2      PRO  12  35.024  -2.036   6.891
   80    HB3  PRO  12           HB3      PRO  12  36.080  -0.820   6.109
   81    HG2  PRO  12           HG2      PRO  12  34.113  -0.052   7.817
   82    HG3  PRO  12           HG3      PRO  12  34.418   0.868   6.308
   83    HD2  PRO  12           HD2      PRO  12  32.285  -1.217   6.838
   84    HD3  PRO  12           HD3      PRO  12  32.140   0.375   6.036
   85    H    SER  13           H        SER  13  32.917  -3.554   5.466
   86    HA   SER  13           HA       SER  13  34.694  -5.769   5.303
   87    HG   SER  13           HG       SER  13  31.880  -7.849   5.656
   88    HB2  SER  13           HB2      SER  13  32.433  -5.670   6.439
   89    HB3  SER  13           HB3      SER  13  31.691  -5.795   4.829
   90    H    SER  14           H        SER  14  32.567  -4.303   2.804
   91    HA   SER  14           HA       SER  14  32.936  -6.270   0.804
   92    HG   SER  14           HG       SER  14  30.288  -3.605   0.908
   93    HB2  SER  14           HB2      SER  14  32.408  -3.373   0.162
   94    HB3  SER  14           HB3      SER  14  31.676  -4.834  -0.525
   95    H    GLY  15           H        GLY  15  35.144  -3.833   1.908
   96    HA2  GLY  15           HA2      GLY  15  37.132  -3.019   1.137
   97    HA3  GLY  15           HA3      GLY  15  37.184  -4.388   0.030
   98    H    ARG  16           H        ARG  16  34.446  -2.572  -0.667
   99    HA   ARG  16           HA       ARG  16  35.525  -1.481  -3.148
  100    HE   ARG  16           HE       ARG  16  30.758  -1.381  -4.857
  101    HB2  ARG  16           HB2      ARG  16  33.252  -2.448  -3.020
  102    HB3  ARG  16           HB3      ARG  16  32.806  -1.278  -1.791
  103    HG2  ARG  16           HG2      ARG  16  31.892  -0.118  -3.470
  104    HG3  ARG  16           HG3      ARG  16  33.496   0.458  -3.797
  105    HD2  ARG  16           HD2      ARG  16  33.290  -0.308  -5.866
  106    HD3  ARG  16           HD3      ARG  16  33.384  -1.961  -5.243
  107   HH11  ARG  16          HH11      ARG  16  32.681  -1.082  -7.763
  108   HH12  ARG  16          HH12      ARG  16  31.292  -1.098  -8.817
  109   HH21  ARG  16          HH21      ARG  16  29.001  -1.381  -6.229
  110   HH22  ARG  16          HH22      ARG  16  29.247  -1.297  -7.943
  111    HA   PRO  17           HA       PRO  17  36.659   2.661  -1.619
  112    HB2  PRO  17           HB2      PRO  17  35.575   3.346  -4.361
  113    HB3  PRO  17           HB3      PRO  17  37.006   4.013  -3.516
  114    HG2  PRO  17           HG2      PRO  17  37.307   2.079  -5.382
  115    HG3  PRO  17           HG3      PRO  17  38.232   1.985  -3.847
  116    HD2  PRO  17           HD2      PRO  17  35.731   0.492  -4.638
  117    HD3  PRO  17           HD3      PRO  17  37.169  -0.092  -3.747
  118    HA   PRO  18           HA       PRO  18  32.415   3.752  -0.369
  119    HB2  PRO  18           HB2      PRO  18  33.023   5.766   1.439
  120    HB3  PRO  18           HB3      PRO  18  33.061   4.028   1.799
  121    HG2  PRO  18           HG2      PRO  18  35.359   5.840   1.067
  122    HG3  PRO  18           HG3      PRO  18  35.303   4.561   2.323
  123    HD2  PRO  18           HD2      PRO  18  36.442   4.181  -0.128
  124    HD3  PRO  18           HD3      PRO  18  35.592   2.857   0.729
  125    HA   PRO  19           HA       PRO  19  32.041   7.515  -2.933
  126    HB2  PRO  19           HB2      PRO  19  29.359   7.611  -3.220
  127    HB3  PRO  19           HB3      PRO  19  30.328   6.309  -3.975
  128    HG2  PRO  19           HG2      PRO  19  28.780   6.187  -1.365
  129    HG3  PRO  19           HG3      PRO  19  28.774   5.009  -2.707
  130    HD2  PRO  19           HD2      PRO  19  30.350   4.755  -0.458
  131    HD3  PRO  19           HD3      PRO  19  30.813   4.095  -2.056
  132    H    SER  20           H        SER  20  32.996   8.612  -1.084
  133    HA   SER  20           HA       SER  20  31.170   9.887   0.879
  134    HG   SER  20           HG       SER  20  32.467  11.720   1.529
  135    HB2  SER  20           HB2      SER  20  33.414   9.080   1.652
  136    HB3  SER  20           HB3      SER  20  34.167  10.273   0.547
  Start of MODEL   18
    1    HA   ASP   1           HA       ASP   1  24.395   8.667  -3.564
    2    H1   ASP   1           H1       ASP   1  24.124   8.607  -5.914
    3    H2   ASP   1           H2       ASP   1  22.530   8.238  -5.785
    4    H3   ASP   1           H3       ASP   1  23.072   9.729  -5.306
    5    HB2  ASP   1           HB2      ASP   1  22.016   9.548  -3.258
    6    HB3  ASP   1           HB3      ASP   1  21.474   7.873  -3.343
    7    H    ALA   2           H        ALA   2  25.241   6.823  -2.775
    8    HA   ALA   2           HA       ALA   2  24.135   4.200  -3.450
    9    HB1  ALA   2           HB3      ALA   2  26.269   3.326  -4.336
   10    HB2  ALA   2           HB1      ALA   2  25.643   4.644  -5.341
   11    HB3  ALA   2           HB2      ALA   2  26.989   4.950  -4.221
   12    H    TYR   3           H        TYR   3  24.983   6.151  -1.016
   13    HA   TYR   3           HA       TYR   3  27.134   4.643   0.271
   14    HD1  TYR   3           HD1      TYR   3  26.386   5.229   3.698
   15    HD2  TYR   3           HD2      TYR   3  28.771   7.525   0.937
   16    HE1  TYR   3           HE1      TYR   3  28.297   5.205   5.304
   17    HE2  TYR   3           HE2      TYR   3  30.668   7.489   2.521
   18    HH   TYR   3           HH       TYR   3  31.291   6.994   4.696
   19    HB2  TYR   3           HB2      TYR   3  26.515   7.180   0.463
   20    HB3  TYR   3           HB3      TYR   3  25.384   6.652   1.697
   21    H    ALA   4           H        ALA   4  23.610   4.794   0.589
   22    HA   ALA   4           HA       ALA   4  23.229   3.176   2.877
   23    HB1  ALA   4           HB3      ALA   4  21.023   2.685   1.886
   24    HB2  ALA   4           HB1      ALA   4  21.428   4.402   1.697
   25    HB3  ALA   4           HB2      ALA   4  21.570   3.299   0.311
   26    H    GLN   5           H        GLN   5  23.652   2.190  -0.540
   27    HA   GLN   5           HA       GLN   5  23.578  -0.627  -0.021
   28    HB2  GLN   5           HB2      GLN   5  23.311   0.802  -2.272
   29    HB3  GLN   5           HB3      GLN   5  25.050   0.534  -2.394
   30    HG2  GLN   5           HG2      GLN   5  23.902  -1.224  -3.607
   31    HG3  GLN   5           HG3      GLN   5  24.615  -1.943  -2.168
   32   HE21  GLN   5          HE22      GLN   5  21.469  -0.683  -3.525
   33   HE22  GLN   5          HE21      GLN   5  20.548  -1.716  -2.418
   34    H    TRP   6           H        TRP   6  26.305   1.704  -0.280
   35    HA   TRP   6           HA       TRP   6  28.460  -0.106   0.007
   36    HD1  TRP   6           HD1      TRP   6  31.077   1.379  -0.866
   37    HE1  TRP   6           HE1      TRP   6  33.227   1.124   0.450
   38    HE3  TRP   6           HE3      TRP   6  29.263   2.692   3.715
   39    HZ2  TRP   6           HZ2      TRP   6  34.111   1.749   3.132
   40    HZ3  TRP   6           HZ3      TRP   6  30.823   2.978   5.630
   41    HH2  TRP   6           HH2      TRP   6  33.242   2.504   5.357
   42    HB2  TRP   6           HB2      TRP   6  28.666   2.369  -0.373
   43    HB3  TRP   6           HB3      TRP   6  28.238   2.637   1.310
   44    H    LEU   7           H        LEU   7  26.556   1.401   2.665
   45    HA   LEU   7           HA       LEU   7  27.758  -0.222   4.734
   46    HG   LEU   7           HG       LEU   7  27.122   2.693   4.576
   47    HB2  LEU   7           HB2      LEU   7  25.069   1.189   4.606
   48    HB3  LEU   7           HB3      LEU   7  25.718   0.422   6.054
   49   HD11  LEU   7          HD11      LEU   7  24.986   3.467   5.474
   50   HD12  LEU   7          HD12      LEU   7  25.378   2.776   7.067
   51   HD13  LEU   7          HD13      LEU   7  26.330   4.128   6.418
   52   HD21  LEU   7          HD23      LEU   7  28.416   2.916   6.675
   53   HD22  LEU   7          HD21      LEU   7  27.577   1.506   7.354
   54   HD23  LEU   7          HD22      LEU   7  28.663   1.321   5.961
   55    H    LYS   8           H        LYS   8  24.702  -0.699   2.888
   56    HA   LYS   8           HA       LYS   8  23.853  -2.991   4.246
   57    HB2  LYS   8           HB2      LYS   8  22.777  -1.460   2.278
   58    HB3  LYS   8           HB3      LYS   8  23.311  -2.808   1.291
   59    HG2  LYS   8           HG2      LYS   8  21.031  -3.175   1.889
   60    HG3  LYS   8           HG3      LYS   8  21.979  -4.338   2.830
   61    HD2  LYS   8           HD2      LYS   8  21.754  -2.942   4.848
   62    HD3  LYS   8           HD3      LYS   8  21.061  -1.624   3.901
   63    HE2  LYS   8           HE2      LYS   8  19.312  -2.743   5.134
   64    HE3  LYS   8           HE3      LYS   8  19.074  -2.975   3.398
   65    HZ1  LYS   8           HZ3      LYS   8  18.763  -5.030   4.669
   66    HZ2  LYS   8           HZ1      LYS   8  20.017  -5.177   3.611
   67    HZ3  LYS   8           HZ2      LYS   8  20.317  -4.963   5.210
   68    H    ASP   9           H        ASP   9  26.060  -2.947   1.445
   69    HA   ASP   9           HA       ASP   9  26.313  -5.817   1.257
   70    HB2  ASP   9           HB2      ASP   9  27.891  -3.442   0.229
   71    HB3  ASP   9           HB3      ASP   9  28.498  -5.081   0.028
   72    H    GLY  10           H        GLY  10  27.389  -3.880   3.814
   73    HA2  GLY  10           HA2      GLY  10  28.583  -5.033   5.644
   74    HA3  GLY  10           HA3      GLY  10  29.665  -5.751   4.454
   75    H    GLY  11           H        GLY  11  28.750  -2.376   4.065
   76    HA2  GLY  11           HA2      GLY  11  29.986  -0.440   4.100
   77    HA3  GLY  11           HA3      GLY  11  30.715  -1.048   5.572
   78    HA   PRO  12           HA       PRO  12  34.226  -0.687   2.740
   79    HB2  PRO  12           HB2      PRO  12  36.282  -1.056   4.511
   80    HB3  PRO  12           HB3      PRO  12  35.302   0.434   4.470
   81    HG2  PRO  12           HG2      PRO  12  34.998  -1.937   6.321
   82    HG3  PRO  12           HG3      PRO  12  34.986  -0.191   6.732
   83    HD2  PRO  12           HD2      PRO  12  32.702  -1.673   6.388
   84    HD3  PRO  12           HD3      PRO  12  32.781   0.063   5.976
   85    H    SER  13           H        SER  13  33.325  -3.579   4.480
   86    HA   SER  13           HA       SER  13  35.461  -5.293   3.594
   87    HG   SER  13           HG       SER  13  35.127  -5.762   5.886
   88    HB2  SER  13           HB2      SER  13  32.632  -5.937   4.522
   89    HB3  SER  13           HB3      SER  13  33.969  -7.095   4.379
   90    H    SER  14           H        SER  14  33.188  -3.811   1.740
   91    HA   SER  14           HA       SER  14  32.382  -6.040   0.047
   92    HG   SER  14           HG       SER  14  31.118  -3.121   1.596
   93    HB2  SER  14           HB2      SER  14  31.760  -3.142  -0.479
   94    HB3  SER  14           HB3      SER  14  30.794  -4.580  -0.826
   95    H    GLY  15           H        GLY  15  35.258  -4.561   0.019
   96    HA2  GLY  15           HA2      GLY  15  36.950  -4.397  -1.565
   97    HA3  GLY  15           HA3      GLY  15  35.874  -5.144  -2.743
   98    H    ARG  16           H        ARG  16  34.623  -2.300  -1.323
   99    HA   ARG  16           HA       ARG  16  35.342  -0.617  -3.676
  100    HE   ARG  16           HE       ARG  16  30.290  -2.189  -3.845
  101    HB2  ARG  16           HB2      ARG  16  32.987   0.310  -3.485
  102    HB3  ARG  16           HB3      ARG  16  33.201  -1.265  -4.243
  103    HG2  ARG  16           HG2      ARG  16  32.196  -2.436  -2.518
  104    HG3  ARG  16           HG3      ARG  16  32.611  -1.231  -1.300
  105    HD2  ARG  16           HD2      ARG  16  30.397  -0.890  -1.382
  106    HD3  ARG  16           HD3      ARG  16  30.939   0.307  -2.583
  107   HH11  ARG  16          HH11      ARG  16  28.746   0.558  -2.327
  108   HH12  ARG  16          HH12      ARG  16  27.260   0.388  -3.211
  109   HH21  ARG  16          HH21      ARG  16  28.323  -2.427  -4.942
  110   HH22  ARG  16          HH22      ARG  16  27.034  -1.303  -4.656
  111    HA   PRO  17           HA       PRO  17  36.746   2.130  -0.414
  112    HB2  PRO  17           HB2      PRO  17  36.439   4.163  -2.637
  113    HB3  PRO  17           HB3      PRO  17  37.790   3.966  -1.477
  114    HG2  PRO  17           HG2      PRO  17  38.014   3.030  -4.009
  115    HG3  PRO  17           HG3      PRO  17  38.599   2.040  -2.632
  116    HD2  PRO  17           HD2      PRO  17  36.014   1.778  -4.175
  117    HD3  PRO  17           HD3      PRO  17  37.135   0.506  -3.595
  118    HA   PRO  18           HA       PRO  18  32.971   4.065   1.065
  119    HB2  PRO  18           HB2      PRO  18  33.999   6.122   2.642
  120    HB3  PRO  18           HB3      PRO  18  33.824   4.424   3.127
  121    HG2  PRO  18           HG2      PRO  18  36.276   5.833   2.089
  122    HG3  PRO  18           HG3      PRO  18  36.153   4.629   3.412
  123    HD2  PRO  18           HD2      PRO  18  37.016   3.963   0.924
  124    HD3  PRO  18           HD3      PRO  18  36.018   2.838   1.891
  125    HA   PRO  19           HA       PRO  19  32.820   7.474  -1.966
  126    HB2  PRO  19           HB2      PRO  19  30.205   7.367  -2.646
  127    HB3  PRO  19           HB3      PRO  19  31.349   6.076  -3.107
  128    HG2  PRO  19           HG2      PRO  19  29.407   6.080  -0.779
  129    HG3  PRO  19           HG3      PRO  19  29.702   4.786  -1.977
  130    HD2  PRO  19           HD2      PRO  19  30.899   4.895   0.526
  131    HD3  PRO  19           HD3      PRO  19  31.629   4.088  -0.890
  132    H    SER  20           H        SER  20  33.399   8.515   0.206
  133    HA   SER  20           HA       SER  20  31.389   9.828   1.815
  134    HG   SER  20           HG       SER  20  32.392  11.854   2.407
  135    HB2  SER  20           HB2      SER  20  33.731   9.396   2.629
  136    HB3  SER  20           HB3      SER  20  34.299  10.648   1.481
  Start of MODEL   19
    1    HA   ASP   1           HA       ASP   1  24.139   8.406  -5.018
    2    H1   ASP   1           H1       ASP   1  25.045   9.130  -2.960
    3    H2   ASP   1           H2       ASP   1  26.590   8.755  -3.438
    4    H3   ASP   1           H3       ASP   1  25.757   9.923  -4.241
    5    HB2  ASP   1           HB2      ASP   1  27.038   8.015  -5.748
    6    HB3  ASP   1           HB3      ASP   1  25.723   7.199  -6.622
    7    H    ALA   2           H        ALA   2  26.792   6.043  -4.495
    8    HA   ALA   2           HA       ALA   2  24.672   4.112  -4.034
    9    HB1  ALA   2           HB3      ALA   2  26.327   2.487  -4.583
   10    HB2  ALA   2           HB1      ALA   2  26.539   3.860  -5.679
   11    HB3  ALA   2           HB2      ALA   2  27.658   3.629  -4.323
   12    H    TYR   3           H        TYR   3  25.665   5.998  -1.754
   13    HA   TYR   3           HA       TYR   3  27.139   4.584   0.159
   14    HD1  TYR   3           HD2      TYR   3  28.746   6.381   1.233
   15    HD2  TYR   3           HD1      TYR   3  24.896   6.511   3.189
   16    HE1  TYR   3           HE2      TYR   3  29.870   6.439   3.456
   17    HE2  TYR   3           HE1      TYR   3  26.037   6.639   5.401
   18    HH   TYR   3           HH       TYR   3  28.638   5.699   6.208
   19    HB2  TYR   3           HB2      TYR   3  26.594   7.066   0.049
   20    HB3  TYR   3           HB3      TYR   3  25.041   6.691   0.784
   21    H    ALA   4           H        ALA   4  23.577   4.742  -0.127
   22    HA   ALA   4           HA       ALA   4  22.872   3.185   2.135
   23    HB1  ALA   4           HB3      ALA   4  20.780   2.747   0.817
   24    HB2  ALA   4           HB1      ALA   4  21.238   4.459   0.853
   25    HB3  ALA   4           HB2      ALA   4  21.548   3.488  -0.603
   26    H    GLN   5           H        GLN   5  23.773   2.144  -1.171
   27    HA   GLN   5           HA       GLN   5  23.366  -0.671  -0.633
   28    HB2  GLN   5           HB2      GLN   5  23.420   0.763  -2.900
   29    HB3  GLN   5           HB3      GLN   5  25.120   0.332  -2.887
   30    HG2  GLN   5           HG2      GLN   5  24.684  -1.815  -3.508
   31    HG3  GLN   5           HG3      GLN   5  23.398  -2.015  -2.325
   32   HE21  GLN   5          HE22      GLN   5  21.244  -0.638  -2.937
   33   HE22  GLN   5          HE21      GLN   5  20.873  -0.826  -4.658
   34    H    TRP   6           H        TRP   6  26.210   1.481  -0.803
   35    HA   TRP   6           HA       TRP   6  28.294  -0.306  -0.280
   36    HD1  TRP   6           HD1      TRP   6  30.879   0.943  -1.044
   37    HE1  TRP   6           HE1      TRP   6  32.983   0.885   0.439
   38    HE3  TRP   6           HE3      TRP   6  28.883   2.931   3.219
   39    HZ2  TRP   6           HZ2      TRP   6  33.702   1.666   3.110
   40    HZ3  TRP   6           HZ3      TRP   6  30.326   3.342   5.202
   41    HH2  TRP   6           HH2      TRP   6  32.729   2.726   5.157
   42    HB2  TRP   6           HB2      TRP   6  28.508   2.126  -0.815
   43    HB3  TRP   6           HB3      TRP   6  27.967   2.521   0.811
   44    H    LEU   7           H        LEU   7  26.286   1.388   2.178
   45    HA   LEU   7           HA       LEU   7  27.375  -0.018   4.439
   46    HG   LEU   7           HG       LEU   7  26.679   2.855   3.986
   47    HB2  LEU   7           HB2      LEU   7  24.661   1.282   3.981
   48    HB3  LEU   7           HB3      LEU   7  25.210   0.679   5.544
   49   HD11  LEU   7          HD11      LEU   7  24.511   3.710   4.519
   50   HD12  LEU   7          HD12      LEU   7  24.556   3.014   6.158
   51   HD13  LEU   7          HD13      LEU   7  25.629   4.357   5.733
   52   HD21  LEU   7          HD23      LEU   7  27.772   3.331   6.112
   53   HD22  LEU   7          HD21      LEU   7  26.868   2.027   6.912
   54   HD23  LEU   7          HD22      LEU   7  28.080   1.653   5.665
   55    H    LYS   8           H        LYS   8  24.542  -0.789   2.367
   56    HA   LYS   8           HA       LYS   8  23.609  -3.052   3.780
   57    HB2  LYS   8           HB2      LYS   8  22.609  -1.757   1.736
   58    HB3  LYS   8           HB3      LYS   8  23.570  -2.871   0.752
   59    HG2  LYS   8           HG2      LYS   8  22.386  -4.782   1.979
   60    HG3  LYS   8           HG3      LYS   8  21.367  -3.548   2.734
   61    HD2  LYS   8           HD2      LYS   8  21.312  -2.941  -0.041
   62    HD3  LYS   8           HD3      LYS   8  21.257  -4.698   0.014
   63    HE2  LYS   8           HE2      LYS   8  19.418  -2.838   1.591
   64    HE3  LYS   8           HE3      LYS   8  19.019  -3.506   0.003
   65    HZ1  LYS   8           HZ3      LYS   8  18.078  -4.830   1.795
   66    HZ2  LYS   8           HZ1      LYS   8  19.166  -5.718   0.939
   67    HZ3  LYS   8           HZ2      LYS   8  19.575  -5.124   2.416
   68    H    ASP   9           H        ASP   9  26.108  -2.924   1.238
   69    HA   ASP   9           HA       ASP   9  26.730  -5.754   1.259
   70    HB2  ASP   9           HB2      ASP   9  28.293  -3.291   0.376
   71    HB3  ASP   9           HB3      ASP   9  28.896  -4.933   0.186
   72    H    GLY  10           H        GLY  10  27.288  -3.503   3.775
   73    HA2  GLY  10           HA2      GLY  10  28.323  -4.161   5.809
   74    HA3  GLY  10           HA3      GLY  10  29.454  -5.191   4.942
   75    H    GLY  11           H        GLY  11  29.202  -2.136   3.392
   76    HA2  GLY  11           HA2      GLY  11  30.639  -0.444   3.097
   77    HA3  GLY  11           HA3      GLY  11  30.539  -0.256   4.838
   78    HA   PRO  12           HA       PRO  12  35.026  -0.843   4.622
   79    HB2  PRO  12           HB2      PRO  12  34.770  -1.703   7.491
   80    HB3  PRO  12           HB3      PRO  12  35.869  -0.492   6.765
   81    HG2  PRO  12           HG2      PRO  12  33.679   0.273   8.189
   82    HG3  PRO  12           HG3      PRO  12  34.154   1.146   6.696
   83    HD2  PRO  12           HD2      PRO  12  32.016  -0.971   7.037
   84    HD3  PRO  12           HD3      PRO  12  31.948   0.577   6.148
   85    H    SER  13           H        SER  13  32.813  -3.348   5.838
   86    HA   SER  13           HA       SER  13  34.748  -5.507   5.948
   87    HG   SER  13           HG       SER  13  33.044  -7.598   5.355
   88    HB2  SER  13           HB2      SER  13  32.535  -5.450   7.152
   89    HB3  SER  13           HB3      SER  13  31.728  -5.651   5.584
   90    H    SER  14           H        SER  14  32.714  -4.145   3.345
   91    HA   SER  14           HA       SER  14  32.959  -6.425   1.585
   92    HG   SER  14           HG       SER  14  30.320  -5.051   2.117
   93    HB2  SER  14           HB2      SER  14  32.306  -3.670   0.629
   94    HB3  SER  14           HB3      SER  14  31.533  -5.207   0.204
   95    H    GLY  15           H        GLY  15  34.884  -3.615   2.226
   96    HA2  GLY  15           HA2      GLY  15  37.013  -3.071   1.525
   97    HA3  GLY  15           HA3      GLY  15  36.984  -4.418   0.390
   98    H    ARG  16           H        ARG  16  34.349  -3.007  -0.650
   99    HA   ARG  16           HA       ARG  16  35.505  -1.522  -2.818
  100    HE   ARG  16           HE       ARG  16  29.610  -2.588  -2.941
  101    HB2  ARG  16           HB2      ARG  16  33.166  -0.773  -3.297
  102    HB3  ARG  16           HB3      ARG  16  33.457  -2.498  -3.270
  103    HG2  ARG  16           HG2      ARG  16  32.567  -1.784  -0.629
  104    HG3  ARG  16           HG3      ARG  16  31.540  -0.931  -1.763
  105    HD2  ARG  16           HD2      ARG  16  32.048  -3.925  -1.925
  106    HD3  ARG  16           HD3      ARG  16  30.721  -3.194  -1.027
  107   HH11  ARG  16          HH11      ARG  16  32.472  -4.398  -3.831
  108   HH12  ARG  16          HH12      ARG  16  31.961  -4.605  -5.484
  109   HH21  ARG  16          HH21      ARG  16  29.023  -2.818  -5.052
  110   HH22  ARG  16          HH22      ARG  16  30.033  -3.696  -6.164
  111    HA   PRO  17           HA       PRO  17  36.411   2.317  -0.713
  112    HB2  PRO  17           HB2      PRO  17  35.976   3.503  -3.457
  113    HB3  PRO  17           HB3      PRO  17  37.301   3.807  -2.293
  114    HG2  PRO  17           HG2      PRO  17  37.680   2.162  -4.418
  115    HG3  PRO  17           HG3      PRO  17  38.338   1.726  -2.808
  116    HD2  PRO  17           HD2      PRO  17  35.833   0.704  -4.157
  117    HD3  PRO  17           HD3      PRO  17  37.077  -0.185  -3.220
  118    HA   PRO  18           HA       PRO  18  32.197   3.782  -0.078
  119    HB2  PRO  18           HB2      PRO  18  32.722   6.077   1.436
  120    HB3  PRO  18           HB3      PRO  18  32.576   4.417   2.057
  121    HG2  PRO  18           HG2      PRO  18  35.073   5.957   1.364
  122    HG3  PRO  18           HG3      PRO  18  34.787   4.861   2.754
  123    HD2  PRO  18           HD2      PRO  18  36.174   4.084   0.545
  124    HD3  PRO  18           HD3      PRO  18  35.104   2.945   1.419
  125    HA   PRO  19           HA       PRO  19  32.006   6.940  -3.299
  126    HB2  PRO  19           HB2      PRO  19  29.328   7.068  -3.683
  127    HB3  PRO  19           HB3      PRO  19  30.278   5.613  -4.120
  128    HG2  PRO  19           HG2      PRO  19  28.631   6.074  -1.611
  129    HG3  PRO  19           HG3      PRO  19  28.669   4.631  -2.661
  130    HD2  PRO  19           HD2      PRO  19  30.135   4.860  -0.341
  131    HD3  PRO  19           HD3      PRO  19  30.649   3.864  -1.737
  132    H    SER  20           H        SER  20  32.582   8.940  -2.682
  133    HA   SER  20           HA       SER  20  30.838  10.573  -0.887
  134    HG   SER  20           HG       SER  20  33.854   9.791   0.860
  135    HB2  SER  20           HB2      SER  20  33.861  10.607  -1.202
  136    HB3  SER  20           HB3      SER  20  32.911  11.742  -0.222
  Start of MODEL   20
    1    HA   ASP   1           HA       ASP   1  23.344   8.177  -4.943
    2    H1   ASP   1           H1       ASP   1  24.559   8.742  -2.962
    3    H2   ASP   1           H2       ASP   1  26.000   8.569  -3.754
    4    H3   ASP   1           H3       ASP   1  24.948   9.746  -4.214
    5    HB2  ASP   1           HB2      ASP   1  25.161   9.008  -6.457
    6    HB3  ASP   1           HB3      ASP   1  26.052   7.514  -6.152
    7    H    ALA   2           H        ALA   2  26.023   5.867  -5.113
    8    HA   ALA   2           HA       ALA   2  24.351   3.790  -4.150
    9    HB1  ALA   2           HB3      ALA   2  26.294   2.394  -4.704
   10    HB2  ALA   2           HB1      ALA   2  25.978   3.597  -5.964
   11    HB3  ALA   2           HB2      ALA   2  27.321   3.847  -4.823
   12    H    TYR   3           H        TYR   3  25.565   5.914  -2.057
   13    HA   TYR   3           HA       TYR   3  27.233   4.474  -0.276
   14    HD1  TYR   3           HD2      TYR   3  26.234   5.615   2.975
   15    HD2  TYR   3           HD1      TYR   3  28.932   7.290   0.050
   16    HE1  TYR   3           HE2      TYR   3  28.013   5.788   4.701
   17    HE2  TYR   3           HE1      TYR   3  30.705   7.428   1.765
   18    HH   TYR   3           HH       TYR   3  30.087   6.845   5.173
   19    HB2  TYR   3           HB2      TYR   3  26.661   7.040  -0.487
   20    HB3  TYR   3           HB3      TYR   3  25.436   6.683   0.718
   21    H    ALA   4           H        ALA   4  23.676   4.775  -0.298
   22    HA   ALA   4           HA       ALA   4  23.125   3.492   2.185
   23    HB1  ALA   4           HB3      ALA   4  20.906   3.069   1.191
   24    HB2  ALA   4           HB1      ALA   4  21.449   4.718   0.830
   25    HB3  ALA   4           HB2      ALA   4  21.532   3.462  -0.426
   26    H    GLN   5           H        GLN   5  23.678   2.132  -1.083
   27    HA   GLN   5           HA       GLN   5  23.352  -0.610  -0.241
   28    HB2  GLN   5           HB2      GLN   5  23.209   0.484  -2.655
   29    HB3  GLN   5           HB3      GLN   5  24.947   0.131  -2.688
   30    HG2  GLN   5           HG2      GLN   5  24.387  -2.252  -2.013
   31    HG3  GLN   5           HG3      GLN   5  22.671  -1.835  -2.131
   32   HE21  GLN   5          HE22      GLN   5  24.452  -3.795  -3.700
   33   HE22  GLN   5          HE21      GLN   5  24.056  -3.314  -5.361
   34    H    TRP   6           H        TRP   6  26.191   1.516  -0.731
   35    HA   TRP   6           HA       TRP   6  28.244  -0.300  -0.123
   36    HD1  TRP   6           HD1      TRP   6  30.867   0.850  -1.153
   37    HE1  TRP   6           HE1      TRP   6  33.026   0.829   0.272
   38    HE3  TRP   6           HE3      TRP   6  29.043   2.858   3.200
   39    HZ2  TRP   6           HZ2      TRP   6  33.881   1.755   2.795
   40    HZ3  TRP   6           HZ3      TRP   6  30.580   3.282   5.111
   41    HH2  TRP   6           HH2      TRP   6  32.999   2.759   4.916
   42    HB2  TRP   6           HB2      TRP   6  28.508   2.085  -0.847
   43    HB3  TRP   6           HB3      TRP   6  28.082   2.597   0.781
   44    H    LEU   7           H        LEU   7  26.299   1.559   2.281
   45    HA   LEU   7           HA       LEU   7  27.487   0.280   4.570
   46    HG   LEU   7           HG       LEU   7  26.834   3.113   4.047
   47    HB2  LEU   7           HB2      LEU   7  24.779   1.600   4.179
   48    HB3  LEU   7           HB3      LEU   7  25.371   1.038   5.741
   49   HD11  LEU   7          HD11      LEU   7  24.645   3.967   4.721
   50   HD12  LEU   7          HD12      LEU   7  24.939   3.470   6.403
   51   HD13  LEU   7          HD13      LEU   7  25.920   4.755   5.668
   52   HD21  LEU   7          HD23      LEU   7  28.011   3.620   6.164
   53   HD22  LEU   7          HD21      LEU   7  27.142   2.302   6.976
   54   HD23  LEU   7          HD22      LEU   7  28.303   1.950   5.680
   55    H    LYS   8           H        LYS   8  24.562  -0.650   2.705
   56    HA   LYS   8           HA       LYS   8  23.687  -2.819   4.326
   57    HB2  LYS   8           HB2      LYS   8  23.574  -2.333   1.343
   58    HB3  LYS   8           HB3      LYS   8  22.852  -3.759   2.055
   59    HG2  LYS   8           HG2      LYS   8  21.162  -2.612   3.128
   60    HG3  LYS   8           HG3      LYS   8  22.054  -1.091   3.210
   61    HD2  LYS   8           HD2      LYS   8  21.196  -0.360   1.261
   62    HD3  LYS   8           HD3      LYS   8  21.683  -1.831   0.420
   63    HE2  LYS   8           HE2      LYS   8  19.569  -2.880   1.580
   64    HE3  LYS   8           HE3      LYS   8  19.058  -1.189   1.730
   65    HZ1  LYS   8           HZ3      LYS   8  18.299  -2.141  -0.361
   66    HZ2  LYS   8           HZ1      LYS   8  19.425  -0.984  -0.688
   67    HZ3  LYS   8           HZ2      LYS   8  19.828  -2.572  -0.778
   68    H    ASP   9           H        ASP   9  26.203  -2.859   1.794
   69    HA   ASP   9           HA       ASP   9  26.772  -5.696   2.128
   70    HB2  ASP   9           HB2      ASP   9  28.250  -3.452   0.708
   71    HB3  ASP   9           HB3      ASP   9  28.720  -5.156   0.664
   72    H    GLY  10           H        GLY  10  27.065  -3.750   4.589
   73    HA2  GLY  10           HA2      GLY  10  28.302  -4.031   6.550
   74    HA3  GLY  10           HA3      GLY  10  29.422  -5.107   5.711
   75    H    GLY  11           H        GLY  11  28.618  -1.946   4.430
   76    HA2  GLY  11           HA2      GLY  11  29.835  -0.060   3.986
   77    HA3  GLY  11           HA3      GLY  11  30.589  -0.271   5.555
   78    HA   PRO  12           HA       PRO  12  34.118  -0.870   2.795
   79    HB2  PRO  12           HB2      PRO  12  36.154  -0.903   4.610
   80    HB3  PRO  12           HB3      PRO  12  35.245   0.576   4.204
   81    HG2  PRO  12           HG2      PRO  12  34.905  -1.221   6.605
   82    HG3  PRO  12           HG3      PRO  12  34.890   0.570   6.528
   83    HD2  PRO  12           HD2      PRO  12  32.619  -1.045   6.563
   84    HD3  PRO  12           HD3      PRO  12  32.660   0.607   5.896
   85    H    SER  13           H        SER  13  32.855  -3.192   4.955
   86    HA   SER  13           HA       SER  13  34.836  -5.148   5.169
   87    HG   SER  13           HG       SER  13  31.983  -4.278   6.520
   88    HB2  SER  13           HB2      SER  13  31.854  -5.672   4.867
   89    HB3  SER  13           HB3      SER  13  33.061  -6.733   5.618
   90    H    SER  14           H        SER  14  32.577  -4.675   2.434
   91    HA   SER  14           HA       SER  14  33.335  -6.927   0.902
   92    HG   SER  14           HG       SER  14  31.428  -3.672   0.803
   93    HB2  SER  14           HB2      SER  14  32.586  -4.653  -0.765
   94    HB3  SER  14           HB3      SER  14  31.745  -6.171  -0.460
   95    H    GLY  15           H        GLY  15  35.378  -4.304   1.661
   96    HA2  GLY  15           HA2      GLY  15  37.470  -3.776   0.828
   97    HA3  GLY  15           HA3      GLY  15  37.249  -4.912  -0.503
   98    H    ARG  16           H        ARG  16  34.585  -2.853  -0.391
   99    HA   ARG  16           HA       ARG  16  35.549  -1.375  -2.757
  100    HE   ARG  16           HE       ARG  16  30.311  -1.394  -3.049
  101    HB2  ARG  16           HB2      ARG  16  33.342  -2.653  -2.646
  102    HB3  ARG  16           HB3      ARG  16  32.720  -1.374  -1.594
  103    HG2  ARG  16           HG2      ARG  16  32.937   0.278  -3.366
  104    HG3  ARG  16           HG3      ARG  16  33.969  -0.807  -4.308
  105    HD2  ARG  16           HD2      ARG  16  32.013  -0.958  -5.467
  106    HD3  ARG  16           HD3      ARG  16  31.977  -2.398  -4.476
  107   HH11  ARG  16          HH11      ARG  16  30.865   0.472  -5.964
  108   HH12  ARG  16          HH12      ARG  16  29.278   1.182  -5.951
  109   HH21  ARG  16          HH21      ARG  16  28.275  -0.455  -3.061
  110   HH22  ARG  16          HH22      ARG  16  27.865   0.688  -4.299
  111    HA   PRO  17           HA       PRO  17  36.200   2.194  -0.156
  112    HB2  PRO  17           HB2      PRO  17  36.605   4.190  -2.004
  113    HB3  PRO  17           HB3      PRO  17  37.790   2.894  -1.658
  114    HG2  PRO  17           HG2      PRO  17  35.780   3.036  -3.917
  115    HG3  PRO  17           HG3      PRO  17  37.511   2.575  -3.991
  116    HD2  PRO  17           HD2      PRO  17  35.469   0.753  -3.884
  117    HD3  PRO  17           HD3      PRO  17  37.071   0.427  -3.160
  118    HA   PRO  18           HA       PRO  18  32.211   4.102   0.254
  119    HB2  PRO  18           HB2      PRO  18  32.780   6.389   1.689
  120    HB3  PRO  18           HB3      PRO  18  32.769   4.739   2.364
  121    HG2  PRO  18           HG2      PRO  18  35.134   6.365   1.408
  122    HG3  PRO  18           HG3      PRO  18  34.990   5.378   2.898
  123    HD2  PRO  18           HD2      PRO  18  36.238   4.466   0.647
  124    HD3  PRO  18           HD3      PRO  18  35.301   3.376   1.711
  125    HA   PRO  19           HA       PRO  19  32.344   7.024  -3.214
  126    HB2  PRO  19           HB2      PRO  19  29.771   6.907  -4.041
  127    HB3  PRO  19           HB3      PRO  19  30.883   5.516  -4.197
  128    HG2  PRO  19           HG2      PRO  19  28.820   6.000  -2.022
  129    HG3  PRO  19           HG3      PRO  19  29.099   4.508  -2.970
  130    HD2  PRO  19           HD2      PRO  19  30.177   4.937  -0.465
  131    HD3  PRO  19           HD3      PRO  19  30.985   3.942  -1.712
  132    H    SER  20           H        SER  20  32.915   8.824  -1.898
  133    HA   SER  20           HA       SER  20  30.697  10.725  -1.241
  134    HG   SER  20           HG       SER  20  31.854   9.832   1.954
  135    HB2  SER  20           HB2      SER  20  33.326  10.284   0.223
  136    HB3  SER  20           HB3      SER  20  32.183  11.605   0.536
  Start of MODEL   21
    1    HA   ASP   1           HA       ASP   1  24.341   8.578  -4.150
    2    H1   ASP   1           H1       ASP   1  23.294   8.080  -6.227
    3    H2   ASP   1           H2       ASP   1  21.890   7.673  -5.479
    4    H3   ASP   1           H3       ASP   1  22.409   9.246  -5.453
    5    HB2  ASP   1           HB2      ASP   1  22.103   9.358  -3.168
    6    HB3  ASP   1           HB3      ASP   1  21.763   7.657  -2.830
    7    H    ALA   2           H        ALA   2  25.622   6.896  -3.408
    8    HA   ALA   2           HA       ALA   2  24.684   4.097  -3.876
    9    HB1  ALA   2           HB3      ALA   2  27.038   3.569  -4.480
   10    HB2  ALA   2           HB1      ALA   2  26.269   4.706  -5.602
   11    HB3  ALA   2           HB2      ALA   2  27.429   5.302  -4.401
   12    H    TYR   3           H        TYR   3  25.234   6.217  -1.390
   13    HA   TYR   3           HA       TYR   3  27.187   4.805   0.204
   14    HD1  TYR   3           HD2      TYR   3  26.235   5.317   3.383
   15    HD2  TYR   3           HD1      TYR   3  28.413   8.036   0.829
   16    HE1  TYR   3           HE2      TYR   3  28.056   5.474   5.081
   17    HE2  TYR   3           HE1      TYR   3  30.219   8.182   2.515
   18    HH   TYR   3           HH       TYR   3  31.096   6.609   4.435
   19    HB2  TYR   3           HB2      TYR   3  26.282   7.325   0.194
   20    HB3  TYR   3           HB3      TYR   3  25.150   6.694   1.374
   21    H    ALA   4           H        ALA   4  23.625   4.885   0.091
   22    HA   ALA   4           HA       ALA   4  23.078   3.171   2.294
   23    HB1  ALA   4           HB3      ALA   4  20.931   2.738   1.130
   24    HB2  ALA   4           HB1      ALA   4  21.345   4.463   1.120
   25    HB3  ALA   4           HB2      ALA   4  21.575   3.485  -0.348
   26    H    GLN   5           H        GLN   5  23.824   2.334  -1.114
   27    HA   GLN   5           HA       GLN   5  23.571  -0.511  -0.759
   28    HB2  GLN   5           HB2      GLN   5  23.539   0.846  -2.957
   29    HB3  GLN   5           HB3      GLN   5  25.299   0.860  -2.841
   30    HG2  GLN   5           HG2      GLN   5  24.487  -1.866  -2.402
   31    HG3  GLN   5           HG3      GLN   5  23.487  -1.263  -3.717
   32   HE21  GLN   5          HE22      GLN   5  24.570  -0.634  -5.781
   33   HE22  GLN   5          HE21      GLN   5  26.249  -1.183  -5.956
   34    H    TRP   6           H        TRP   6  26.410   1.724  -0.704
   35    HA   TRP   6           HA       TRP   6  28.424  -0.148  -0.158
   36    HD1  TRP   6           HD1      TRP   6  31.069   1.018  -0.869
   37    HE1  TRP   6           HE1      TRP   6  33.169   0.914   0.645
   38    HE3  TRP   6           HE3      TRP   6  29.010   2.702   3.505
   39    HZ2  TRP   6           HZ2      TRP   6  33.874   1.653   3.298
   40    HZ3  TRP   6           HZ3      TRP   6  30.430   2.981   5.529
   41    HH2  TRP   6           HH2      TRP   6  32.863   2.488   5.432
   42    HB2  TRP   6           HB2      TRP   6  28.717   2.296  -0.607
   43    HB3  TRP   6           HB3      TRP   6  28.177   2.641   1.030
   44    H    LEU   7           H        LEU   7  26.297   1.447   2.275
   45    HA   LEU   7           HA       LEU   7  27.340  -0.022   4.520
   46    HG   LEU   7           HG       LEU   7  26.620   2.830   4.158
   47    HB2  LEU   7           HB2      LEU   7  24.612   1.235   4.053
   48    HB3  LEU   7           HB3      LEU   7  25.144   0.584   5.602
   49   HD11  LEU   7          HD11      LEU   7  24.355   3.564   4.694
   50   HD12  LEU   7          HD12      LEU   7  24.522   2.966   6.361
   51   HD13  LEU   7          HD13      LEU   7  25.512   4.330   5.796
   52   HD21  LEU   7          HD23      LEU   7  27.627   3.249   6.356
   53   HD22  LEU   7          HD21      LEU   7  26.729   1.887   7.056
   54   HD23  LEU   7          HD22      LEU   7  27.989   1.602   5.835
   55    H    LYS   8           H        LYS   8  24.699  -0.866   2.254
   56    HA   LYS   8           HA       LYS   8  23.724  -3.177   3.614
   57    HB2  LYS   8           HB2      LYS   8  23.553  -2.099   0.835
   58    HB3  LYS   8           HB3      LYS   8  23.468  -3.846   0.935
   59    HG2  LYS   8           HG2      LYS   8  21.240  -3.135   1.052
   60    HG3  LYS   8           HG3      LYS   8  21.667  -3.590   2.703
   61    HD2  LYS   8           HD2      LYS   8  22.149  -1.063   3.083
   62    HD3  LYS   8           HD3      LYS   8  21.378  -0.804   1.509
   63    HE2  LYS   8           HE2      LYS   8  19.669  -2.553   2.995
   64    HE3  LYS   8           HE3      LYS   8  20.209  -1.324   4.142
   65    HZ1  LYS   8           HZ3      LYS   8  18.207  -0.624   3.015
   66    HZ2  LYS   8           HZ1      LYS   8  19.443   0.365   2.565
   67    HZ3  LYS   8           HZ2      LYS   8  18.905  -0.802   1.537
   68    H    ASP   9           H        ASP   9  26.451  -2.949   1.357
   69    HA   ASP   9           HA       ASP   9  27.093  -5.779   1.572
   70    HB2  ASP   9           HB2      ASP   9  28.404  -3.392   0.237
   71    HB3  ASP   9           HB3      ASP   9  29.109  -5.011   0.212
   72    H    GLY  10           H        GLY  10  27.123  -4.210   4.102
   73    HA2  GLY  10           HA2      GLY  10  28.205  -4.500   6.121
   74    HA3  GLY  10           HA3      GLY  10  29.463  -5.443   5.316
   75    H    GLY  11           H        GLY  11  28.619  -2.211   4.223
   76    HA2  GLY  11           HA2      GLY  11  29.791  -0.260   4.050
   77    HA3  GLY  11           HA3      GLY  11  30.415  -0.564   5.665
   78    HA   PRO  12           HA       PRO  12  34.185  -0.996   3.195
   79    HB2  PRO  12           HB2      PRO  12  36.059  -1.114   5.168
   80    HB3  PRO  12           HB3      PRO  12  35.159   0.376   4.776
   81    HG2  PRO  12           HG2      PRO  12  34.658  -1.564   7.034
   82    HG3  PRO  12           HG3      PRO  12  34.615   0.228   7.057
   83    HD2  PRO  12           HD2      PRO  12  32.383  -1.431   6.802
   84    HD3  PRO  12           HD3      PRO  12  32.441   0.268   6.266
   85    H    SER  13           H        SER  13  32.741  -3.454   5.056
   86    HA   SER  13           HA       SER  13  34.727  -5.408   5.370
   87    HG   SER  13           HG       SER  13  31.784  -4.632   6.489
   88    HB2  SER  13           HB2      SER  13  31.794  -5.917   4.734
   89    HB3  SER  13           HB3      SER  13  32.924  -7.037   5.516
   90    H    SER  14           H        SER  14  32.823  -4.695   2.455
   91    HA   SER  14           HA       SER  14  33.714  -6.977   0.918
   92    HG   SER  14           HG       SER  14  30.933  -4.924   1.346
   93    HB2  SER  14           HB2      SER  14  32.738  -5.049  -0.841
   94    HB3  SER  14           HB3      SER  14  31.811  -6.353  -0.106
   95    H    GLY  15           H        GLY  15  35.475  -4.253   1.899
   96    HA2  GLY  15           HA2      GLY  15  37.535  -3.492   1.213
   97    HA3  GLY  15           HA3      GLY  15  37.530  -4.658  -0.110
   98    H    ARG  16           H        ARG  16  34.749  -2.728  -0.148
   99    HA   ARG  16           HA       ARG  16  35.568  -1.302  -2.576
  100    HE   ARG  16           HE       ARG  16  31.927   0.899  -4.852
  101    HB2  ARG  16           HB2      ARG  16  33.372  -2.481  -2.346
  102    HB3  ARG  16           HB3      ARG  16  32.953  -1.422  -1.010
  103    HG2  ARG  16           HG2      ARG  16  31.776  -0.461  -2.716
  104    HG3  ARG  16           HG3      ARG  16  33.228   0.533  -2.760
  105    HD2  ARG  16           HD2      ARG  16  34.086  -0.790  -4.668
  106    HD3  ARG  16           HD3      ARG  16  32.692  -1.884  -4.530
  107   HH11  ARG  16          HH11      ARG  16  32.811  -1.933  -6.692
  108   HH12  ARG  16          HH12      ARG  16  31.889  -1.464  -8.096
  109   HH21  ARG  16          HH21      ARG  16  30.727   1.472  -6.659
  110   HH22  ARG  16          HH22      ARG  16  30.739   0.451  -8.063
  111    HA   PRO  17           HA       PRO  17  36.373   2.444  -0.154
  112    HB2  PRO  17           HB2      PRO  17  36.618   4.292  -2.185
  113    HB3  PRO  17           HB3      PRO  17  37.894   3.128  -1.720
  114    HG2  PRO  17           HG2      PRO  17  35.917   2.933  -3.995
  115    HG3  PRO  17           HG3      PRO  17  37.663   2.530  -3.990
  116    HD2  PRO  17           HD2      PRO  17  35.652   0.663  -3.729
  117    HD3  PRO  17           HD3      PRO  17  37.273   0.446  -3.002
  118    HA   PRO  18           HA       PRO  18  32.155   3.919   0.046
  119    HB2  PRO  18           HB2      PRO  18  32.455   6.168   1.649
  120    HB3  PRO  18           HB3      PRO  18  32.418   4.486   2.241
  121    HG2  PRO  18           HG2      PRO  18  34.826   6.218   1.651
  122    HG3  PRO  18           HG3      PRO  18  34.545   5.143   3.059
  123    HD2  PRO  18           HD2      PRO  18  36.081   4.389   0.941
  124    HD3  PRO  18           HD3      PRO  18  35.035   3.214   1.794
  125    HA   PRO  19           HA       PRO  19  32.106   7.148  -3.085
  126    HB2  PRO  19           HB2      PRO  19  29.436   7.532  -3.391
  127    HB3  PRO  19           HB3      PRO  19  30.252   6.016  -3.881
  128    HG2  PRO  19           HG2      PRO  19  28.688   6.547  -1.341
  129    HG3  PRO  19           HG3      PRO  19  28.618   5.119  -2.418
  130    HD2  PRO  19           HD2      PRO  19  30.119   5.222  -0.102
  131    HD3  PRO  19           HD3      PRO  19  30.535   4.198  -1.510
  132    H    SER  20           H        SER  20  32.900   9.070  -2.501
  133    HA   SER  20           HA       SER  20  31.319  10.980  -0.862
  134    HG   SER  20           HG       SER  20  32.236  11.269   1.142
  135    HB2  SER  20           HB2      SER  20  34.172  10.057  -0.551
  136    HB3  SER  20           HB3      SER  20  33.862  11.792  -0.391
  Start of MODEL   22
    1    HA   ASP   1           HA       ASP   1  22.968   7.973  -4.138
    2    H1   ASP   1           H1       ASP   1  20.963   6.649  -4.081
    3    H2   ASP   1           H2       ASP   1  20.956   6.674  -2.439
    4    H3   ASP   1           H3       ASP   1  20.736   8.085  -3.266
    5    HB2  ASP   1           HB2      ASP   1  22.494   7.931  -1.149
    6    HB3  ASP   1           HB3      ASP   1  24.124   8.167  -1.812
    7    H    ALA   2           H        ALA   2  25.049   7.002  -4.124
    8    HA   ALA   2           HA       ALA   2  25.084   4.148  -4.220
    9    HB1  ALA   2           HB3      ALA   2  27.510   4.495  -4.571
   10    HB2  ALA   2           HB1      ALA   2  26.546   5.586  -5.575
   11    HB3  ALA   2           HB2      ALA   2  27.329   6.206  -4.108
   12    H    TYR   3           H        TYR   3  25.826   6.421  -1.598
   13    HA   TYR   3           HA       TYR   3  27.272   4.720   0.117
   14    HD1  TYR   3           HD2      TYR   3  28.966   6.455   1.326
   15    HD2  TYR   3           HD1      TYR   3  25.189   6.145   3.393
   16    HE1  TYR   3           HE2      TYR   3  30.170   6.169   3.493
   17    HE2  TYR   3           HE1      TYR   3  26.410   5.923   5.562
   18    HH   TYR   3           HH       TYR   3  29.106   4.945   6.083
   19    HB2  TYR   3           HB2      TYR   3  26.792   7.240   0.315
   20    HB3  TYR   3           HB3      TYR   3  25.258   6.791   1.051
   21    H    ALA   4           H        ALA   4  23.761   4.905  -0.438
   22    HA   ALA   4           HA       ALA   4  22.899   3.333   1.783
   23    HB1  ALA   4           HB3      ALA   4  20.823   3.199   0.619
   24    HB2  ALA   4           HB1      ALA   4  21.497   4.775   0.158
   25    HB3  ALA   4           HB2      ALA   4  21.591   3.403  -0.968
   26    H    GLN   5           H        GLN   5  24.059   2.456  -1.471
   27    HA   GLN   5           HA       GLN   5  23.564  -0.386  -1.116
   28    HB2  GLN   5           HB2      GLN   5  23.826   1.051  -3.347
   29    HB3  GLN   5           HB3      GLN   5  25.540   0.701  -3.126
   30    HG2  GLN   5           HG2      GLN   5  24.105  -1.779  -2.695
   31    HG3  GLN   5           HG3      GLN   5  23.397  -1.004  -4.106
   32   HE21  GLN   5          HE22      GLN   5  26.439  -2.606  -2.807
   33   HE22  GLN   5          HE21      GLN   5  27.068  -2.649  -4.426
   34    H    TRP   6           H        TRP   6  26.404   1.786  -0.871
   35    HA   TRP   6           HA       TRP   6  28.402  -0.121  -0.334
   36    HD1  TRP   6           HD1      TRP   6  31.040   0.960  -0.914
   37    HE1  TRP   6           HE1      TRP   6  33.130   0.919   0.629
   38    HE3  TRP   6           HE3      TRP   6  28.914   2.810   3.353
   39    HZ2  TRP   6           HZ2      TRP   6  33.762   1.668   3.295
   40    HZ3  TRP   6           HZ3      TRP   6  30.287   3.088   5.413
   41    HH2  TRP   6           HH2      TRP   6  32.706   2.547   5.392
   42    HB2  TRP   6           HB2      TRP   6  28.692   2.361  -0.708
   43    HB3  TRP   6           HB3      TRP   6  28.121   2.635   0.931
   44    H    LEU   7           H        LEU   7  26.182   1.428   2.023
   45    HA   LEU   7           HA       LEU   7  27.156   0.030   4.336
   46    HG   LEU   7           HG       LEU   7  26.304   2.827   3.885
   47    HB2  LEU   7           HB2      LEU   7  24.387   1.111   3.668
   48    HB3  LEU   7           HB3      LEU   7  24.856   0.528   5.265
   49   HD11  LEU   7          HD11      LEU   7  24.054   3.562   4.124
   50   HD12  LEU   7          HD12      LEU   7  23.876   2.787   5.716
   51   HD13  LEU   7          HD13      LEU   7  24.905   4.215   5.534
   52   HD21  LEU   7          HD23      LEU   7  27.198   3.325   6.032
   53   HD22  LEU   7          HD21      LEU   7  26.151   2.136   6.838
   54   HD23  LEU   7          HD22      LEU   7  27.478   1.600   5.787
   55    H    LYS   8           H        LYS   8  24.767  -0.917   1.905
   56    HA   LYS   8           HA       LYS   8  23.712  -3.257   3.168
   57    HB2  LYS   8           HB2      LYS   8  23.432  -1.880   0.689
   58    HB3  LYS   8           HB3      LYS   8  23.966  -3.497   0.251
   59    HG2  LYS   8           HG2      LYS   8  22.093  -4.510   1.375
   60    HG3  LYS   8           HG3      LYS   8  21.632  -2.981   2.146
   61    HD2  LYS   8           HD2      LYS   8  21.787  -3.174  -0.879
   62    HD3  LYS   8           HD3      LYS   8  20.358  -3.774  -0.040
   63    HE2  LYS   8           HE2      LYS   8  21.372  -1.049   0.744
   64    HE3  LYS   8           HE3      LYS   8  20.640  -1.184  -0.857
   65    HZ1  LYS   8           HZ3      LYS   8  19.234  -0.804   1.377
   66    HZ2  LYS   8           HZ1      LYS   8  18.612  -1.506   0.024
   67    HZ3  LYS   8           HZ2      LYS   8  19.144  -2.441   1.265
   68    H    ASP   9           H        ASP   9  26.708  -2.715   1.428
   69    HA   ASP   9           HA       ASP   9  27.362  -5.564   1.299
   70    HB2  ASP   9           HB2      ASP   9  29.203  -3.252   0.650
   71    HB3  ASP   9           HB3      ASP   9  29.247  -4.923   0.069
   72    H    GLY  10           H        GLY  10  27.064  -4.109   3.994
   73    HA2  GLY  10           HA2      GLY  10  27.965  -4.311   6.100
   74    HA3  GLY  10           HA3      GLY  10  29.263  -5.312   5.462
   75    H    GLY  11           H        GLY  11  28.575  -2.117   4.148
   76    HA2  GLY  11           HA2      GLY  11  29.752  -0.145   4.105
   77    HA3  GLY  11           HA3      GLY  11  30.299  -0.508   5.740
   78    HA   PRO  12           HA       PRO  12  34.162  -0.948   3.396
   79    HB2  PRO  12           HB2      PRO  12  35.967  -0.760   5.412
   80    HB3  PRO  12           HB3      PRO  12  34.963   0.620   4.905
   81    HG2  PRO  12           HG2      PRO  12  34.567  -1.191   7.281
   82    HG3  PRO  12           HG3      PRO  12  34.362   0.586   7.166
   83    HD2  PRO  12           HD2      PRO  12  32.312  -1.334   6.952
   84    HD3  PRO  12           HD3      PRO  12  32.202   0.361   6.400
   85    H    SER  13           H        SER  13  32.606  -3.439   4.973
   86    HA   SER  13           HA       SER  13  34.798  -5.221   5.547
   87    HG   SER  13           HG       SER  13  31.622  -6.540   4.140
   88    HB2  SER  13           HB2      SER  13  33.096  -6.943   5.772
   89    HB3  SER  13           HB3      SER  13  32.579  -5.449   6.578
   90    H    SER  14           H        SER  14  32.858  -4.665   2.592
   91    HA   SER  14           HA       SER  14  33.882  -6.953   1.164
   92    HG   SER  14           HG       SER  14  31.094  -5.275   1.376
   93    HB2  SER  14           HB2      SER  14  33.100  -4.820  -0.611
   94    HB3  SER  14           HB3      SER  14  32.293  -6.355  -0.313
   95    H    GLY  15           H        GLY  15  35.468  -4.099   2.096
   96    HA2  GLY  15           HA2      GLY  15  37.581  -3.322   1.549
   97    HA3  GLY  15           HA3      GLY  15  37.719  -4.572   0.310
   98    H    ARG  16           H        ARG  16  34.924  -2.541   0.116
   99    HA   ARG  16           HA       ARG  16  35.904  -1.323  -2.389
  100    HE   ARG  16           HE       ARG  16  31.189   0.046  -4.414
  101    HB2  ARG  16           HB2      ARG  16  33.760  -2.478  -2.422
  102    HB3  ARG  16           HB3      ARG  16  33.173  -1.525  -1.075
  103    HG2  ARG  16           HG2      ARG  16  32.186  -0.213  -2.551
  104    HG3  ARG  16           HG3      ARG  16  33.727   0.499  -2.908
  105    HD2  ARG  16           HD2      ARG  16  33.836  -0.395  -4.978
  106    HD3  ARG  16           HD3      ARG  16  33.275  -1.983  -4.432
  107   HH11  ARG  16          HH11      ARG  16  32.730  -2.354  -6.396
  108   HH12  ARG  16          HH12      ARG  16  31.349  -2.587  -7.436
  109   HH21  ARG  16          HH21      ARG  16  29.395  -0.263  -5.727
  110   HH22  ARG  16          HH22      ARG  16  29.478  -1.389  -7.042
  111    HA   PRO  17           HA       PRO  17  36.549   2.532  -0.241
  112    HB2  PRO  17           HB2      PRO  17  36.745   4.263  -2.407
  113    HB3  PRO  17           HB3      PRO  17  38.053   3.217  -1.784
  114    HG2  PRO  17           HG2      PRO  17  36.304   2.804  -4.183
  115    HG3  PRO  17           HG3      PRO  17  38.008   2.325  -3.926
  116    HD2  PRO  17           HD2      PRO  17  35.785   0.649  -3.716
  117    HD3  PRO  17           HD3      PRO  17  37.383   0.308  -3.002
  118    HA   PRO  18           HA       PRO  18  32.301   3.943   0.012
  119    HB2  PRO  18           HB2      PRO  18  32.720   6.332   1.424
  120    HB3  PRO  18           HB3      PRO  18  32.545   4.698   2.127
  121    HG2  PRO  18           HG2      PRO  18  35.079   6.210   1.461
  122    HG3  PRO  18           HG3      PRO  18  34.715   5.232   2.921
  123    HD2  PRO  18           HD2      PRO  18  36.214   4.257   0.909
  124    HD3  PRO  18           HD3      PRO  18  35.021   3.204   1.733
  125    HA   PRO  19           HA       PRO  19  32.254   6.882  -3.408
  126    HB2  PRO  19           HB2      PRO  19  29.621   6.894  -4.001
  127    HB3  PRO  19           HB3      PRO  19  30.613   5.423  -4.203
  128    HG2  PRO  19           HG2      PRO  19  28.777   6.123  -1.887
  129    HG3  PRO  19           HG3      PRO  19  28.923   4.565  -2.760
  130    HD2  PRO  19           HD2      PRO  19  30.195   5.129  -0.372
  131    HD3  PRO  19           HD3      PRO  19  30.795   3.949  -1.578
  132    H    SER  20           H        SER  20  33.034   8.616  -1.974
  133    HA   SER  20           HA       SER  20  30.988  10.734  -1.545
  134    HG   SER  20           HG       SER  20  31.206   9.436   1.755
  135    HB2  SER  20           HB2      SER  20  33.081   9.880   0.489
  136    HB3  SER  20           HB3      SER  20  32.016  11.296   0.618
  Start of MODEL   23
    1    HA   ASP   1           HA       ASP   1  25.572   8.444  -4.282
    2    H1   ASP   1           H1       ASP   1  25.221   8.347  -6.604
    3    H2   ASP   1           H2       ASP   1  23.593   8.112  -6.420
    4    H3   ASP   1           H3       ASP   1  24.261   9.565  -5.989
    5    HB2  ASP   1           HB2      ASP   1  22.538   8.474  -4.165
    6    HB3  ASP   1           HB3      ASP   1  23.578   8.212  -2.753
    7    H    ALA   2           H        ALA   2  26.222   6.574  -3.372
    8    HA   ALA   2           HA       ALA   2  24.642   4.084  -3.787
    9    HB1  ALA   2           HB3      ALA   2  26.696   2.873  -4.380
   10    HB2  ALA   2           HB1      ALA   2  26.367   4.178  -5.530
   11    HB3  ALA   2           HB2      ALA   2  27.630   4.384  -4.301
   12    H    TYR   3           H        TYR   3  25.730   6.119  -1.478
   13    HA   TYR   3           HA       TYR   3  27.335   4.562   0.236
   14    HD1  TYR   3           HD1      TYR   3  26.413   5.299   3.416
   15    HD2  TYR   3           HD2      TYR   3  28.902   7.659   0.798
   16    HE1  TYR   3           HE1      TYR   3  28.255   5.243   5.094
   17    HE2  TYR   3           HE2      TYR   3  30.721   7.613   2.480
   18    HH   TYR   3           HH       TYR   3  31.488   6.363   4.365
   19    HB2  TYR   3           HB2      TYR   3  26.728   7.147   0.136
   20    HB3  TYR   3           HB3      TYR   3  25.516   6.705   1.326
   21    H    ALA   4           H        ALA   4  23.783   4.877   0.120
   22    HA   ALA   4           HA       ALA   4  23.132   3.467   2.489
   23    HB1  ALA   4           HB3      ALA   4  20.948   3.143   1.430
   24    HB2  ALA   4           HB1      ALA   4  21.537   4.780   1.093
   25    HB3  ALA   4           HB2      ALA   4  21.621   3.529  -0.168
   26    H    GLN   5           H        GLN   5  23.713   2.232  -0.827
   27    HA   GLN   5           HA       GLN   5  23.379  -0.541  -0.142
   28    HB2  GLN   5           HB2      GLN   5  23.392   0.746  -2.507
   29    HB3  GLN   5           HB3      GLN   5  25.104   0.326  -2.457
   30    HG2  GLN   5           HG2      GLN   5  24.155  -1.498  -3.562
   31    HG3  GLN   5           HG3      GLN   5  24.257  -2.108  -1.910
   32   HE21  GLN   5          HE22      GLN   5  22.244  -2.347  -4.466
   33   HE22  GLN   5          HE21      GLN   5  20.711  -2.232  -3.589
   34    H    TRP   6           H        TRP   6  26.255   1.586  -0.441
   35    HA   TRP   6           HA       TRP   6  28.295  -0.258   0.075
   36    HD1  TRP   6           HD1      TRP   6  30.919   1.013  -0.866
   37    HE1  TRP   6           HE1      TRP   6  33.098   0.925   0.512
   38    HE3  TRP   6           HE3      TRP   6  29.098   2.599   3.649
   39    HZ2  TRP   6           HZ2      TRP   6  33.949   1.600   3.143
   40    HZ3  TRP   6           HZ3      TRP   6  30.630   2.854   5.591
   41    HH2  TRP   6           HH2      TRP   6  33.053   2.372   5.350
   42    HB2  TRP   6           HB2      TRP   6  28.562   2.182  -0.469
   43    HB3  TRP   6           HB3      TRP   6  28.130   2.569   1.189
   44    H    LEU   7           H        LEU   7  26.398   1.509   2.579
   45    HA   LEU   7           HA       LEU   7  27.495   0.053   4.811
   46    HG   LEU   7           HG       LEU   7  26.904   2.919   4.431
   47    HB2  LEU   7           HB2      LEU   7  24.813   1.437   4.428
   48    HB3  LEU   7           HB3      LEU   7  25.362   0.784   5.970
   49   HD11  LEU   7          HD11      LEU   7  24.700   3.782   5.034
   50   HD12  LEU   7          HD12      LEU   7  24.908   3.221   6.709
   51   HD13  LEU   7          HD13      LEU   7  25.943   4.513   6.064
   52   HD21  LEU   7          HD23      LEU   7  28.007   3.313   6.602
   53   HD22  LEU   7          HD21      LEU   7  27.056   2.011   7.344
   54   HD23  LEU   7          HD22      LEU   7  28.261   1.643   6.092
   55    H    LYS   8           H        LYS   8  24.616  -0.617   2.789
   56    HA   LYS   8           HA       LYS   8  23.637  -2.866   4.184
   57    HB2  LYS   8           HB2      LYS   8  22.818  -1.484   1.970
   58    HB3  LYS   8           HB3      LYS   8  23.531  -2.877   1.171
   59    HG2  LYS   8           HG2      LYS   8  21.250  -3.401   1.447
   60    HG3  LYS   8           HG3      LYS   8  22.067  -4.337   2.710
   61    HD2  LYS   8           HD2      LYS   8  21.481  -2.557   4.372
   62    HD3  LYS   8           HD3      LYS   8  20.702  -1.621   3.080
   63    HE2  LYS   8           HE2      LYS   8  19.098  -3.459   2.703
   64    HE3  LYS   8           HE3      LYS   8  19.895  -4.428   3.954
   65    HZ1  LYS   8           HZ3      LYS   8  17.946  -3.276   4.821
   66    HZ2  LYS   8           HZ1      LYS   8  19.307  -2.725   5.565
   67    HZ3  LYS   8           HZ2      LYS   8  18.579  -1.813   4.408
   68    H    ASP   9           H        ASP   9  26.137  -2.770   1.692
   69    HA   ASP   9           HA       ASP   9  26.606  -5.625   1.660
   70    HB2  ASP   9           HB2      ASP   9  28.370  -3.351   0.681
   71    HB3  ASP   9           HB3      ASP   9  28.509  -5.062   0.251
   72    H    GLY  10           H        GLY  10  27.003  -3.954   4.347
   73    HA2  GLY  10           HA2      GLY  10  28.223  -4.526   6.267
   74    HA3  GLY  10           HA3      GLY  10  29.314  -5.525   5.304
   75    H    GLY  11           H        GLY  11  28.593  -2.218   4.373
   76    HA2  GLY  11           HA2      GLY  11  29.828  -0.311   4.194
   77    HA3  GLY  11           HA3      GLY  11  30.608  -0.742   5.705
   78    HA   PRO  12           HA       PRO  12  34.075  -1.095   2.816
   79    HB2  PRO  12           HB2      PRO  12  36.133  -1.450   4.568
   80    HB3  PRO  12           HB3      PRO  12  35.276   0.106   4.384
   81    HG2  PRO  12           HG2      PRO  12  34.877  -2.002   6.514
   82    HG3  PRO  12           HG3      PRO  12  34.974  -0.222   6.703
   83    HD2  PRO  12           HD2      PRO  12  32.604  -1.657   6.565
   84    HD3  PRO  12           HD3      PRO  12  32.751   0.054   6.080
   85    H    SER  13           H        SER  13  32.757  -3.633   4.686
   86    HA   SER  13           HA       SER  13  34.636  -5.686   4.611
   87    HG   SER  13           HG       SER  13  31.858  -4.900   6.108
   88    HB2  SER  13           HB2      SER  13  31.630  -6.006   4.253
   89    HB3  SER  13           HB3      SER  13  32.775  -7.241   4.810
   90    H    SER  14           H        SER  14  32.430  -4.730   1.955
   91    HA   SER  14           HA       SER  14  33.020  -6.792   0.140
   92    HG   SER  14           HG       SER  14  30.842  -3.573   0.256
   93    HB2  SER  14           HB2      SER  14  32.425  -4.137  -1.029
   94    HB3  SER  14           HB3      SER  14  31.553  -5.668  -1.172
   95    H    GLY  15           H        GLY  15  35.222  -4.390   1.199
   96    HA2  GLY  15           HA2      GLY  15  37.314  -3.816   0.408
   97    HA3  GLY  15           HA3      GLY  15  37.084  -4.868  -0.990
   98    H    ARG  16           H        ARG  16  34.529  -2.630  -0.640
   99    HA   ARG  16           HA       ARG  16  35.514  -1.033  -2.937
  100    HE   ARG  16           HE       ARG  16  30.343   0.092  -3.534
  101    HB2  ARG  16           HB2      ARG  16  33.337  -2.055  -3.187
  102    HB3  ARG  16           HB3      ARG  16  32.738  -1.320  -1.700
  103    HG2  ARG  16           HG2      ARG  16  32.365   0.731  -2.687
  104    HG3  ARG  16           HG3      ARG  16  33.812   0.639  -3.663
  105    HD2  ARG  16           HD2      ARG  16  32.343   0.559  -5.333
  106    HD3  ARG  16           HD3      ARG  16  32.514  -1.174  -5.044
  107   HH11  ARG  16          HH11      ARG  16  31.108  -1.386  -6.598
  108   HH12  ARG  16          HH12      ARG  16  29.441  -1.621  -7.049
  109   HH21  ARG  16          HH21      ARG  16  28.194  -0.263  -4.104
  110   HH22  ARG  16          HH22      ARG  16  27.827  -0.969  -5.644
  111    HA   PRO  17           HA       PRO  17  36.337   2.323  -0.046
  112    HB2  PRO  17           HB2      PRO  17  36.685   4.419  -1.829
  113    HB3  PRO  17           HB3      PRO  17  37.921   3.184  -1.448
  114    HG2  PRO  17           HG2      PRO  17  36.001   3.245  -3.788
  115    HG3  PRO  17           HG3      PRO  17  37.760   2.896  -3.800
  116    HD2  PRO  17           HD2      PRO  17  35.918   0.917  -3.839
  117    HD3  PRO  17           HD3      PRO  17  37.429   0.731  -2.913
  118    HA   PRO  18           HA       PRO  18  32.290   4.065   0.443
  119    HB2  PRO  18           HB2      PRO  18  32.779   6.262   2.049
  120    HB3  PRO  18           HB3      PRO  18  32.791   4.566   2.607
  121    HG2  PRO  18           HG2      PRO  18  35.144   6.292   1.794
  122    HG3  PRO  18           HG3      PRO  18  34.992   5.220   3.224
  123    HD2  PRO  18           HD2      PRO  18  36.297   4.436   0.972
  124    HD3  PRO  18           HD3      PRO  18  35.307   3.283   1.916
  125    HA   PRO  19           HA       PRO  19  32.300   7.221  -2.802
  126    HB2  PRO  19           HB2      PRO  19  29.663   7.281  -3.424
  127    HB3  PRO  19           HB3      PRO  19  30.685   5.853  -3.761
  128    HG2  PRO  19           HG2      PRO  19  28.824   6.283  -1.401
  129    HG3  PRO  19           HG3      PRO  19  28.962   4.843  -2.454
  130    HD2  PRO  19           HD2      PRO  19  30.234   5.067  -0.023
  131    HD3  PRO  19           HD3      PRO  19  30.900   4.116  -1.385
  132    H    SER  20           H        SER  20  33.052   8.940  -1.472
  133    HA   SER  20           HA       SER  20  30.964  10.803  -0.395
  134    HG   SER  20           HG       SER  20  32.250   8.836   0.893
  135    HB2  SER  20           HB2      SER  20  33.840  10.586   0.563
  136    HB3  SER  20           HB3      SER  20  32.536  11.580   1.257
  Start of MODEL   24
    1    HA   ASP   1           HA       ASP   1  22.709   7.848  -5.310
    2    H1   ASP   1           H1       ASP   1  22.592   8.340  -3.018
    3    H2   ASP   1           H2       ASP   1  24.220   8.668  -2.931
    4    H3   ASP   1           H3       ASP   1  23.254   9.634  -3.838
    5    HB2  ASP   1           HB2      ASP   1  25.608   8.688  -5.060
    6    HB3  ASP   1           HB3      ASP   1  24.923   7.851  -6.469
    7    H    ALA   2           H        ALA   2  25.910   6.653  -4.254
    8    HA   ALA   2           HA       ALA   2  24.689   3.949  -4.214
    9    HB1  ALA   2           HB3      ALA   2  26.967   3.229  -4.812
   10    HB2  ALA   2           HB1      ALA   2  26.326   4.445  -5.927
   11    HB3  ALA   2           HB2      ALA   2  27.527   4.915  -4.710
   12    H    TYR   3           H        TYR   3  25.521   6.083  -1.846
   13    HA   TYR   3           HA       TYR   3  27.207   4.607  -0.118
   14    HD1  TYR   3           HD2      TYR   3  26.196   5.325   3.097
   15    HD2  TYR   3           HD1      TYR   3  28.608   7.689   0.399
   16    HE1  TYR   3           HE2      TYR   3  28.004   5.463   4.808
   17    HE2  TYR   3           HE1      TYR   3  30.395   7.815   2.102
   18    HH   TYR   3           HH       TYR   3  30.210   7.534   5.020
   19    HB2  TYR   3           HB2      TYR   3  26.402   7.150  -0.192
   20    HB3  TYR   3           HB3      TYR   3  25.234   6.591   0.993
   21    H    ALA   4           H        ALA   4  23.638   4.687  -0.280
   22    HA   ALA   4           HA       ALA   4  23.066   3.143   2.040
   23    HB1  ALA   4           HB3      ALA   4  20.924   2.685   0.897
   24    HB2  ALA   4           HB1      ALA   4  21.371   4.392   0.738
   25    HB3  ALA   4           HB2      ALA   4  21.591   3.283  -0.635
   26    H    GLN   5           H        GLN   5  23.805   2.136  -1.318
   27    HA   GLN   5           HA       GLN   5  23.600  -0.676  -0.794
   28    HB2  GLN   5           HB2      GLN   5  23.594   0.673  -3.072
   29    HB3  GLN   5           HB3      GLN   5  25.346   0.407  -2.998
   30    HG2  GLN   5           HG2      GLN   5  24.830  -2.072  -2.616
   31    HG3  GLN   5           HG3      GLN   5  23.128  -1.695  -2.920
   32   HE21  GLN   5          HE22      GLN   5  25.360  -3.318  -4.449
   33   HE22  GLN   5          HE21      GLN   5  25.110  -2.657  -6.077
   34    H    TRP   6           H        TRP   6  26.370   1.623  -0.802
   35    HA   TRP   6           HA       TRP   6  28.440  -0.215  -0.229
   36    HD1  TRP   6           HD1      TRP   6  31.079   0.917  -0.962
   37    HE1  TRP   6           HE1      TRP   6  33.165   0.903   0.574
   38    HE3  TRP   6           HE3      TRP   6  28.991   2.833   3.310
   39    HZ2  TRP   6           HZ2      TRP   6  33.858   1.784   3.174
   40    HZ3  TRP   6           HZ3      TRP   6  30.406   3.232   5.315
   41    HH2  TRP   6           HH2      TRP   6  32.839   2.740   5.253
   42    HB2  TRP   6           HB2      TRP   6  28.706   2.216  -0.765
   43    HB3  TRP   6           HB3      TRP   6  28.162   2.609   0.860
   44    H    LEU   7           H        LEU   7  26.323   1.474   2.161
   45    HA   LEU   7           HA       LEU   7  27.353   0.036   4.433
   46    HG   LEU   7           HG       LEU   7  26.706   2.909   4.039
   47    HB2  LEU   7           HB2      LEU   7  24.668   1.374   3.959
   48    HB3  LEU   7           HB3      LEU   7  25.176   0.720   5.515
   49   HD11  LEU   7          HD11      LEU   7  24.473   3.699   4.651
   50   HD12  LEU   7          HD12      LEU   7  24.691   3.105   6.313
   51   HD13  LEU   7          HD13      LEU   7  25.692   4.439   5.703
   52   HD21  LEU   7          HD23      LEU   7  27.763   3.296   6.241
   53   HD22  LEU   7          HD21      LEU   7  26.872   1.922   6.924
   54   HD23  LEU   7          HD22      LEU   7  28.104   1.663   5.670
   55    H    LYS   8           H        LYS   8  24.622  -0.783   2.248
   56    HA   LYS   8           HA       LYS   8  23.647  -3.060   3.610
   57    HB2  LYS   8           HB2      LYS   8  23.689  -2.155   0.750
   58    HB3  LYS   8           HB3      LYS   8  23.310  -3.839   1.014
   59    HG2  LYS   8           HG2      LYS   8  21.865  -1.571   2.433
   60    HG3  LYS   8           HG3      LYS   8  21.353  -2.230   0.882
   61    HD2  LYS   8           HD2      LYS   8  21.779  -4.424   2.796
   62    HD3  LYS   8           HD3      LYS   8  20.728  -3.194   3.488
   63    HE2  LYS   8           HE2      LYS   8  19.243  -4.653   2.411
   64    HE3  LYS   8           HE3      LYS   8  19.377  -3.269   1.319
   65    HZ1  LYS   8           HZ3      LYS   8  19.548  -5.331   0.098
   66    HZ2  LYS   8           HZ1      LYS   8  21.009  -4.577   0.036
   67    HZ3  LYS   8           HZ2      LYS   8  20.790  -5.861   1.036
   68    H    ASP   9           H        ASP   9  26.491  -2.924   1.494
   69    HA   ASP   9           HA       ASP   9  27.016  -5.796   1.733
   70    HB2  ASP   9           HB2      ASP   9  28.516  -3.444   0.532
   71    HB3  ASP   9           HB3      ASP   9  29.185  -5.075   0.582
   72    H    GLY  10           H        GLY  10  27.084  -3.759   4.234
   73    HA2  GLY  10           HA2      GLY  10  28.096  -4.123   6.324
   74    HA3  GLY  10           HA3      GLY  10  29.325  -5.152   5.586
   75    H    GLY  11           H        GLY  11  28.596  -2.030   4.183
   76    HA2  GLY  11           HA2      GLY  11  29.779  -0.101   3.909
   77    HA3  GLY  11           HA3      GLY  11  30.311  -0.272   5.574
   78    HA   PRO  12           HA       PRO  12  34.210  -0.849   3.368
   79    HB2  PRO  12           HB2      PRO  12  35.974  -0.763   5.437
   80    HB3  PRO  12           HB3      PRO  12  35.058   0.668   4.887
   81    HG2  PRO  12           HG2      PRO  12  34.483  -1.111   7.258
   82    HG3  PRO  12           HG3      PRO  12  34.402   0.676   7.143
   83    HD2  PRO  12           HD2      PRO  12  32.221  -1.053   6.893
   84    HD3  PRO  12           HD3      PRO  12  32.273   0.605   6.241
   85    H    SER  13           H        SER  13  32.700  -3.204   5.346
   86    HA   SER  13           HA       SER  13  34.722  -5.084   5.846
   87    HG   SER  13           HG       SER  13  33.712  -6.969   6.858
   88    HB2  SER  13           HB2      SER  13  32.380  -5.100   6.738
   89    HB3  SER  13           HB3      SER  13  31.816  -5.685   5.160
   90    H    SER  14           H        SER  14  32.741  -4.775   2.850
   91    HA   SER  14           HA       SER  14  33.801  -6.953   1.408
   92    HG   SER  14           HG       SER  14  31.463  -3.793   0.548
   93    HB2  SER  14           HB2      SER  14  32.997  -4.950  -0.414
   94    HB3  SER  14           HB3      SER  14  32.018  -6.279   0.211
   95    H    GLY  15           H        GLY  15  35.577  -4.190   2.359
   96    HA2  GLY  15           HA2      GLY  15  37.640  -3.427   1.662
   97    HA3  GLY  15           HA3      GLY  15  37.682  -4.689   0.430
   98    H    ARG  16           H        ARG  16  34.891  -2.722   0.240
   99    HA   ARG  16           HA       ARG  16  35.841  -1.506  -2.284
  100    HE   ARG  16           HE       ARG  16  31.368   0.710  -3.899
  101    HB2  ARG  16           HB2      ARG  16  33.728  -2.777  -2.232
  102    HB3  ARG  16           HB3      ARG  16  33.074  -1.675  -1.010
  103    HG2  ARG  16           HG2      ARG  16  33.118   0.185  -2.591
  104    HG3  ARG  16           HG3      ARG  16  33.908  -0.821  -3.822
  105    HD2  ARG  16           HD2      ARG  16  32.001  -1.932  -4.375
  106    HD3  ARG  16           HD3      ARG  16  31.388  -1.937  -2.712
  107   HH11  ARG  16          HH11      ARG  16  29.509  -2.256  -3.692
  108   HH12  ARG  16          HH12      ARG  16  27.981  -1.475  -3.928
  109   HH21  ARG  16          HH21      ARG  16  29.370   1.711  -4.197
  110   HH22  ARG  16          HH22      ARG  16  27.921   0.749  -4.227
  111    HA   PRO  17           HA       PRO  17  36.361   2.388  -0.138
  112    HB2  PRO  17           HB2      PRO  17  36.587   4.150  -2.246
  113    HB3  PRO  17           HB3      PRO  17  37.878   3.026  -1.727
  114    HG2  PRO  17           HG2      PRO  17  35.899   2.686  -3.987
  115    HG3  PRO  17           HG3      PRO  17  37.658   2.341  -3.979
  116    HD2  PRO  17           HD2      PRO  17  35.738   0.415  -3.630
  117    HD3  PRO  17           HD3      PRO  17  37.349   0.303  -2.865
  118    HA   PRO  18           HA       PRO  18  32.151   3.907  -0.022
  119    HB2  PRO  18           HB2      PRO  18  32.466   6.253   1.412
  120    HB3  PRO  18           HB3      PRO  18  32.477   4.620   2.131
  121    HG2  PRO  18           HG2      PRO  18  34.839   6.339   1.342
  122    HG3  PRO  18           HG3      PRO  18  34.609   5.381   2.841
  123    HD2  PRO  18           HD2      PRO  18  36.100   4.478   0.743
  124    HD3  PRO  18           HD3      PRO  18  35.111   3.364   1.735
  125    HA   PRO  19           HA       PRO  19  32.157   6.874  -3.409
  126    HB2  PRO  19           HB2      PRO  19  29.489   7.271  -3.752
  127    HB3  PRO  19           HB3      PRO  19  30.284   5.714  -4.135
  128    HG2  PRO  19           HG2      PRO  19  28.723   6.447  -1.647
  129    HG3  PRO  19           HG3      PRO  19  28.632   4.946  -2.617
  130    HD2  PRO  19           HD2      PRO  19  30.128   5.191  -0.304
  131    HD3  PRO  19           HD3      PRO  19  30.539   4.064  -1.633
  132    H    SER  20           H        SER  20  32.619   8.988  -3.344
  133    HA   SER  20           HA       SER  20  31.371  10.823  -1.351
  134    HG   SER  20           HG       SER  20  33.373  11.301  -3.834
  135    HB2  SER  20           HB2      SER  20  33.420  12.134  -1.569
  136    HB3  SER  20           HB3      SER  20  33.893  10.450  -1.205
  Start of MODEL   25
    1    HA   ASP   1           HA       ASP   1  23.333   8.479  -4.225
    2    H1   ASP   1           H1       ASP   1  25.219   8.775  -2.668
    3    H2   ASP   1           H2       ASP   1  26.239   8.646  -3.980
    4    H3   ASP   1           H3       ASP   1  25.173   9.895  -3.885
    5    HB2  ASP   1           HB2      ASP   1  23.810   7.645  -6.456
    6    HB3  ASP   1           HB3      ASP   1  24.541   9.235  -6.223
    7    H    ALA   2           H        ALA   2  26.170   6.279  -4.597
    8    HA   ALA   2           HA       ALA   2  24.530   3.969  -4.082
    9    HB1  ALA   2           HB3      ALA   2  26.666   2.791  -4.564
   10    HB2  ALA   2           HB1      ALA   2  26.290   4.043  -5.763
   11    HB3  ALA   2           HB2      ALA   2  27.522   4.352  -4.530
   12    H    TYR   3           H        TYR   3  25.501   5.989  -1.767
   13    HA   TYR   3           HA       TYR   3  27.111   4.531   0.029
   14    HD1  TYR   3           HD2      TYR   3  25.922   5.320   3.212
   15    HD2  TYR   3           HD1      TYR   3  28.545   7.582   0.628
   16    HE1  TYR   3           HE2      TYR   3  27.582   5.542   5.062
   17    HE2  TYR   3           HE1      TYR   3  30.176   7.804   2.467
   18    HH   TYR   3           HH       TYR   3  30.511   7.504   4.744
   19    HB2  TYR   3           HB2      TYR   3  26.377   7.068  -0.095
   20    HB3  TYR   3           HB3      TYR   3  25.123   6.568   1.024
   21    H    ALA   4           H        ALA   4  23.551   4.630  -0.199
   22    HA   ALA   4           HA       ALA   4  22.920   3.126   2.138
   23    HB1  ALA   4           HB3      ALA   4  20.798   2.663   0.952
   24    HB2  ALA   4           HB1      ALA   4  21.260   4.367   0.788
   25    HB3  ALA   4           HB2      ALA   4  21.503   3.246  -0.570
   26    H    GLN   5           H        GLN   5  23.732   2.065  -1.182
   27    HA   GLN   5           HA       GLN   5  23.456  -0.747  -0.606
   28    HB2  GLN   5           HB2      GLN   5  23.222   0.395  -2.849
   29    HB3  GLN   5           HB3      GLN   5  24.987   0.495  -2.919
   30    HG2  GLN   5           HG2      GLN   5  25.223  -1.854  -3.080
   31    HG3  GLN   5           HG3      GLN   5  23.658  -2.167  -2.323
   32   HE21  GLN   5          HE22      GLN   5  22.198  -3.043  -3.794
   33   HE22  GLN   5          HE21      GLN   5  22.117  -2.459  -5.462
   34    H    TRP   6           H        TRP   6  26.236   1.511  -0.781
   35    HA   TRP   6           HA       TRP   6  28.348  -0.252  -0.192
   36    HD1  TRP   6           HD1      TRP   6  30.970   0.899  -0.865
   37    HE1  TRP   6           HE1      TRP   6  33.020   0.959   0.682
   38    HE3  TRP   6           HE3      TRP   6  28.806   2.978   3.299
   39    HZ2  TRP   6           HZ2      TRP   6  33.690   2.013   3.246
   40    HZ3  TRP   6           HZ3      TRP   6  30.200   3.510   5.286
   41    HH2  TRP   6           HH2      TRP   6  32.639   3.050   5.270
   42    HB2  TRP   6           HB2      TRP   6  28.562   2.178  -0.736
   43    HB3  TRP   6           HB3      TRP   6  27.987   2.570   0.877
   44    H    LEU   7           H        LEU   7  26.270   1.429   2.246
   45    HA   LEU   7           HA       LEU   7  27.344   0.015   4.501
   46    HG   LEU   7           HG       LEU   7  26.552   2.875   4.104
   47    HB2  LEU   7           HB2      LEU   7  24.601   1.240   4.044
   48    HB3  LEU   7           HB3      LEU   7  25.151   0.612   5.596
   49   HD11  LEU   7          HD11      LEU   7  24.282   3.530   4.763
   50   HD12  LEU   7          HD12      LEU   7  24.576   2.957   6.420
   51   HD13  LEU   7          HD13      LEU   7  25.480   4.346   5.782
   52   HD21  LEU   7          HD23      LEU   7  27.622   3.307   6.293
   53   HD22  LEU   7          HD21      LEU   7  26.823   1.877   6.976
   54   HD23  LEU   7          HD22      LEU   7  28.044   1.702   5.696
   55    H    LYS   8           H        LYS   8  24.531  -0.838   2.423
   56    HA   LYS   8           HA       LYS   8  23.748  -3.209   3.769
   57    HB2  LYS   8           HB2      LYS   8  23.338  -2.038   1.088
   58    HB3  LYS   8           HB3      LYS   8  23.435  -3.790   1.036
   59    HG2  LYS   8           HG2      LYS   8  21.709  -3.794   2.955
   60    HG3  LYS   8           HG3      LYS   8  21.470  -2.071   2.582
   61    HD2  LYS   8           HD2      LYS   8  20.943  -2.706   0.209
   62    HD3  LYS   8           HD3      LYS   8  21.187  -4.414   0.640
   63    HE2  LYS   8           HE2      LYS   8  19.388  -4.101   2.425
   64    HE3  LYS   8           HE3      LYS   8  19.047  -2.524   1.697
   65    HZ1  LYS   8           HZ3      LYS   8  17.595  -4.229   0.799
   66    HZ2  LYS   8           HZ1      LYS   8  18.592  -3.696  -0.397
   67    HZ3  LYS   8           HZ2      LYS   8  18.874  -5.146   0.325
   68    H    ASP   9           H        ASP   9  26.263  -2.877   1.270
   69    HA   ASP   9           HA       ASP   9  27.059  -5.661   1.341
   70    HB2  ASP   9           HB2      ASP   9  28.373  -3.138   0.265
   71    HB3  ASP   9           HB3      ASP   9  29.072  -4.746   0.078
   72    H    GLY  10           H        GLY  10  27.132  -4.029   4.052
   73    HA2  GLY  10           HA2      GLY  10  28.361  -4.507   5.988
   74    HA3  GLY  10           HA3      GLY  10  29.599  -5.317   5.028
   75    H    GLY  11           H        GLY  11  28.626  -2.137   4.017
   76    HA2  GLY  11           HA2      GLY  11  29.713  -0.135   3.863
   77    HA3  GLY  11           HA3      GLY  11  30.190  -0.383   5.534
   78    HA   PRO  12           HA       PRO  12  34.186  -0.425   3.406
   79    HB2  PRO  12           HB2      PRO  12  35.862  -0.286   5.559
   80    HB3  PRO  12           HB3      PRO  12  34.868   1.090   5.011
   81    HG2  PRO  12           HG2      PRO  12  34.319  -0.811   7.291
   82    HG3  PRO  12           HG3      PRO  12  34.116   0.969   7.237
   83    HD2  PRO  12           HD2      PRO  12  32.067  -0.870   6.844
   84    HD3  PRO  12           HD3      PRO  12  32.053   0.790   6.191
   85    H    SER  13           H        SER  13  32.868  -2.985   5.293
   86    HA   SER  13           HA       SER  13  35.258  -4.588   5.541
   87    HG   SER  13           HG       SER  13  33.441  -6.936   7.246
   88    HB2  SER  13           HB2      SER  13  33.091  -4.549   6.973
   89    HB3  SER  13           HB3      SER  13  32.447  -5.668   5.754
   90    H    SER  14           H        SER  14  33.199  -4.115   2.848
   91    HA   SER  14           HA       SER  14  33.818  -6.763   1.633
   92    HG   SER  14           HG       SER  14  30.655  -5.979   1.893
   93    HB2  SER  14           HB2      SER  14  31.885  -4.552   0.943
   94    HB3  SER  14           HB3      SER  14  32.295  -5.824  -0.230
   95    H    GLY  15           H        GLY  15  35.841  -4.405   1.972
   96    HA2  GLY  15           HA2      GLY  15  37.747  -3.796   0.776
   97    HA3  GLY  15           HA3      GLY  15  37.300  -5.004  -0.430
   98    H    ARG  16           H        ARG  16  34.944  -2.563   0.178
   99    HA   ARG  16           HA       ARG  16  35.457  -1.423  -2.518
  100    HE   ARG  16           HE       ARG  16  29.897  -1.233  -2.638
  101    HB2  ARG  16           HB2      ARG  16  33.452  -2.905  -2.105
  102    HB3  ARG  16           HB3      ARG  16  32.778  -1.631  -1.078
  103    HG2  ARG  16           HG2      ARG  16  32.696  -0.082  -2.979
  104    HG3  ARG  16           HG3      ARG  16  33.648  -1.197  -3.966
  105    HD2  ARG  16           HD2      ARG  16  31.755  -2.019  -4.786
  106    HD3  ARG  16           HD3      ARG  16  31.509  -2.806  -3.244
  107   HH11  ARG  16          HH11      ARG  16  31.175  -0.394  -5.786
  108   HH12  ARG  16          HH12      ARG  16  29.825   0.627  -6.195
  109   HH21  ARG  16          HH21      ARG  16  28.186   0.104  -3.185
  110   HH22  ARG  16          HH22      ARG  16  28.183   0.917  -4.720
  111    HA   PRO  17           HA       PRO  17  36.124   2.332  -0.250
  112    HB2  PRO  17           HB2      PRO  17  36.357   4.174  -2.273
  113    HB3  PRO  17           HB3      PRO  17  37.594   2.932  -1.913
  114    HG2  PRO  17           HG2      PRO  17  35.417   2.837  -4.018
  115    HG3  PRO  17           HG3      PRO  17  37.155   2.434  -4.196
  116    HD2  PRO  17           HD2      PRO  17  35.222   0.541  -3.785
  117    HD3  PRO  17           HD3      PRO  17  36.879   0.357  -3.135
  118    HA   PRO  18           HA       PRO  18  32.031   4.035   0.180
  119    HB2  PRO  18           HB2      PRO  18  32.531   6.368   1.587
  120    HB3  PRO  18           HB3      PRO  18  32.521   4.733   2.290
  121    HG2  PRO  18           HG2      PRO  18  34.893   6.362   1.363
  122    HG3  PRO  18           HG3      PRO  18  34.729   5.383   2.856
  123    HD2  PRO  18           HD2      PRO  18  36.036   4.467   0.644
  124    HD3  PRO  18           HD3      PRO  18  35.075   3.373   1.683
  125    HA   PRO  19           HA       PRO  19  31.918   6.963  -3.274
  126    HB2  PRO  19           HB2      PRO  19  29.236   7.149  -3.653
  127    HB3  PRO  19           HB3      PRO  19  30.158   5.665  -4.040
  128    HG2  PRO  19           HG2      PRO  19  28.532   6.245  -1.549
  129    HG3  PRO  19           HG3      PRO  19  28.543   4.759  -2.544
  130    HD2  PRO  19           HD2      PRO  19  30.005   5.045  -0.233
  131    HD3  PRO  19           HD3      PRO  19  30.525   4.003  -1.593
  132    H    SER  20           H        SER  20  32.781   8.762  -2.379
  133    HA   SER  20           HA       SER  20  31.238  10.592  -0.609
  134    HG   SER  20           HG       SER  20  33.451   9.107  -0.194
  135    HB2  SER  20           HB2      SER  20  34.054  10.825  -1.755
  136    HB3  SER  20           HB3      SER  20  33.315  11.903  -0.551
  Start of MODEL   26
    1    HA   ASP   1           HA       ASP   1  21.727   7.323  -4.892
    2    H1   ASP   1           H1       ASP   1  21.106   6.704  -2.690
    3    H2   ASP   1           H2       ASP   1  22.247   7.703  -2.036
    4    H3   ASP   1           H3       ASP   1  20.992   8.342  -2.892
    5    HB2  ASP   1           HB2      ASP   1  22.536   9.604  -4.135
    6    HB3  ASP   1           HB3      ASP   1  24.056   8.837  -3.667
    7    H    ALA   2           H        ALA   2  24.969   7.168  -3.591
    8    HA   ALA   2           HA       ALA   2  25.002   4.268  -4.135
    9    HB1  ALA   2           HB3      ALA   2  27.405   4.665  -4.420
   10    HB2  ALA   2           HB1      ALA   2  26.446   5.814  -5.372
   11    HB3  ALA   2           HB2      ALA   2  27.204   6.347  -3.861
   12    H    TYR   3           H        TYR   3  25.839   6.460  -1.419
   13    HA   TYR   3           HA       TYR   3  27.252   4.683   0.180
   14    HD1  TYR   3           HD1      TYR   3  29.047   6.459   1.361
   15    HD2  TYR   3           HD2      TYR   3  25.378   6.010   3.593
   16    HE1  TYR   3           HE1      TYR   3  30.354   6.149   3.466
   17    HE2  TYR   3           HE2      TYR   3  26.698   5.772   5.697
   18    HH   TYR   3           HH       TYR   3  29.157   6.528   6.463
   19    HB2  TYR   3           HB2      TYR   3  26.845   7.191   0.458
   20    HB3  TYR   3           HB3      TYR   3  25.340   6.775   1.267
   21    H    ALA   4           H        ALA   4  23.735   4.949  -0.079
   22    HA   ALA   4           HA       ALA   4  22.918   3.235   2.028
   23    HB1  ALA   4           HB3      ALA   4  20.858   2.998   0.700
   24    HB2  ALA   4           HB1      ALA   4  21.407   4.684   0.686
   25    HB3  ALA   4           HB2      ALA   4  21.676   3.646  -0.735
   26    H    GLN   5           H        GLN   5  24.034   2.455  -1.292
   27    HA   GLN   5           HA       GLN   5  23.553  -0.397  -0.959
   28    HB2  GLN   5           HB2      GLN   5  23.629   1.078  -3.178
   29    HB3  GLN   5           HB3      GLN   5  25.365   0.790  -3.071
   30    HG2  GLN   5           HG2      GLN   5  24.559  -0.935  -4.461
   31    HG3  GLN   5           HG3      GLN   5  24.759  -1.732  -2.900
   32   HE21  GLN   5          HE22      GLN   5  22.592  -1.428  -5.498
   33   HE22  GLN   5          HE21      GLN   5  21.129  -1.775  -4.579
   34    H    TRP   6           H        TRP   6  26.361   1.807  -0.796
   35    HA   TRP   6           HA       TRP   6  28.401  -0.094  -0.353
   36    HD1  TRP   6           HD1      TRP   6  31.024   0.873  -0.913
   37    HE1  TRP   6           HE1      TRP   6  33.125   0.852   0.610
   38    HE3  TRP   6           HE3      TRP   6  29.021   2.980   3.313
   39    HZ2  TRP   6           HZ2      TRP   6  33.850   1.754   3.192
   40    HZ3  TRP   6           HZ3      TRP   6  30.455   3.377   5.299
   41    HH2  TRP   6           HH2      TRP   6  32.868   2.796   5.248
   42    HB2  TRP   6           HB2      TRP   6  28.706   2.357  -0.720
   43    HB3  TRP   6           HB3      TRP   6  28.147   2.655   0.920
   44    H    LEU   7           H        LEU   7  26.301   1.434   2.149
   45    HA   LEU   7           HA       LEU   7  27.324  -0.039   4.375
   46    HG   LEU   7           HG       LEU   7  26.388   2.793   4.019
   47    HB2  LEU   7           HB2      LEU   7  24.534   1.038   3.819
   48    HB3  LEU   7           HB3      LEU   7  25.051   0.413   5.382
   49   HD11  LEU   7          HD11      LEU   7  24.053   3.311   4.481
   50   HD12  LEU   7          HD12      LEU   7  24.194   2.664   6.131
   51   HD13  LEU   7          HD13      LEU   7  25.071   4.134   5.672
   52   HD21  LEU   7          HD23      LEU   7  27.299   3.255   6.239
   53   HD22  LEU   7          HD21      LEU   7  26.499   1.813   6.901
   54   HD23  LEU   7          HD22      LEU   7  27.809   1.654   5.708
   55    H    LYS   8           H        LYS   8  24.833  -0.963   2.011
   56    HA   LYS   8           HA       LYS   8  23.900  -3.340   3.286
   57    HB2  LYS   8           HB2      LYS   8  23.530  -1.944   0.774
   58    HB3  LYS   8           HB3      LYS   8  23.890  -3.610   0.396
   59    HG2  LYS   8           HG2      LYS   8  21.906  -3.372   2.574
   60    HG3  LYS   8           HG3      LYS   8  21.412  -2.458   1.166
   61    HD2  LYS   8           HD2      LYS   8  22.294  -5.363   0.914
   62    HD3  LYS   8           HD3      LYS   8  20.669  -4.921   1.424
   63    HE2  LYS   8           HE2      LYS   8  20.575  -5.355  -0.911
   64    HE3  LYS   8           HE3      LYS   8  20.310  -3.628  -0.651
   65    HZ1  LYS   8           HZ3      LYS   8  21.859  -4.251  -2.502
   66    HZ2  LYS   8           HZ1      LYS   8  22.395  -3.123  -1.489
   67    HZ3  LYS   8           HZ2      LYS   8  22.985  -4.677  -1.368
   68    H    ASP   9           H        ASP   9  26.703  -2.830   1.218
   69    HA   ASP   9           HA       ASP   9  27.527  -5.648   1.286
   70    HB2  ASP   9           HB2      ASP   9  28.653  -3.090   0.099
   71    HB3  ASP   9           HB3      ASP   9  29.560  -4.601   0.092
   72    H    GLY  10           H        GLY  10  27.267  -4.114   3.903
   73    HA2  GLY  10           HA2      GLY  10  28.339  -4.278   5.948
   74    HA3  GLY  10           HA3      GLY  10  29.631  -5.211   5.184
   75    H    GLY  11           H        GLY  11  28.796  -2.081   3.879
   76    HA2  GLY  11           HA2      GLY  11  29.947  -0.140   3.613
   77    HA3  GLY  11           HA3      GLY  11  30.441  -0.276   5.294
   78    HA   PRO  12           HA       PRO  12  34.423  -0.812   3.241
   79    HB2  PRO  12           HB2      PRO  12  36.102  -0.884   5.383
   80    HB3  PRO  12           HB3      PRO  12  35.241   0.598   4.877
   81    HG2  PRO  12           HG2      PRO  12  34.506  -1.313   7.102
   82    HG3  PRO  12           HG3      PRO  12  34.503   0.480   7.116
   83    HD2  PRO  12           HD2      PRO  12  32.260  -1.094   6.672
   84    HD3  PRO  12           HD3      PRO  12  32.435   0.570   6.064
   85    H    SER  13           H        SER  13  32.851  -3.225   5.154
   86    HA   SER  13           HA       SER  13  34.872  -5.139   5.523
   87    HG   SER  13           HG       SER  13  33.903  -7.008   6.583
   88    HB2  SER  13           HB2      SER  13  32.571  -5.138   6.525
   89    HB3  SER  13           HB3      SER  13  31.939  -5.716   4.970
   90    H    SER  14           H        SER  14  32.709  -4.826   2.651
   91    HA   SER  14           HA       SER  14  33.922  -6.985   1.190
   92    HG   SER  14           HG       SER  14  30.658  -6.223   0.411
   93    HB2  SER  14           HB2      SER  14  32.159  -4.648   0.417
   94    HB3  SER  14           HB3      SER  14  32.761  -5.810  -0.784
   95    H    GLY  15           H        GLY  15  35.625  -4.266   2.082
   96    HA2  GLY  15           HA2      GLY  15  37.669  -3.514   1.333
   97    HA3  GLY  15           HA3      GLY  15  37.609  -4.699   0.029
   98    H    ARG  16           H        ARG  16  34.899  -2.682   0.050
   99    HA   ARG  16           HA       ARG  16  35.723  -1.286  -2.416
  100    HE   ARG  16           HE       ARG  16  31.756   0.413  -4.802
  101    HB2  ARG  16           HB2      ARG  16  33.563  -2.547  -2.228
  102    HB3  ARG  16           HB3      ARG  16  33.070  -1.483  -0.919
  103    HG2  ARG  16           HG2      ARG  16  31.910  -0.697  -2.763
  104    HG3  ARG  16           HG3      ARG  16  33.227   0.463  -2.603
  105    HD2  ARG  16           HD2      ARG  16  34.428  -0.596  -4.463
  106    HD3  ARG  16           HD3      ARG  16  33.245  -1.917  -4.511
  107   HH11  ARG  16          HH11      ARG  16  34.287  -1.073  -6.690
  108   HH12  ARG  16          HH12      ARG  16  33.653  -0.506  -8.212
  109   HH21  ARG  16          HH21      ARG  16  30.927   1.087  -6.755
  110   HH22  ARG  16          HH22      ARG  16  31.757   0.698  -8.228
  111    HA   PRO  17           HA       PRO  17  36.438   2.406   0.106
  112    HB2  PRO  17           HB2      PRO  17  36.747   4.310  -1.862
  113    HB3  PRO  17           HB3      PRO  17  38.004   3.116  -1.419
  114    HG2  PRO  17           HG2      PRO  17  36.021   2.983  -3.702
  115    HG3  PRO  17           HG3      PRO  17  37.778   2.628  -3.731
  116    HD2  PRO  17           HD2      PRO  17  35.868   0.683  -3.531
  117    HD3  PRO  17           HD3      PRO  17  37.461   0.521  -2.732
  118    HA   PRO  18           HA       PRO  18  32.286   3.967   0.320
  119    HB2  PRO  18           HB2      PRO  18  32.615   6.330   1.732
  120    HB3  PRO  18           HB3      PRO  18  32.629   4.697   2.446
  121    HG2  PRO  18           HG2      PRO  18  34.987   6.407   1.630
  122    HG3  PRO  18           HG3      PRO  18  34.776   5.442   3.127
  123    HD2  PRO  18           HD2      PRO  18  36.237   4.536   1.015
  124    HD3  PRO  18           HD3      PRO  18  35.236   3.424   1.998
  125    HA   PRO  19           HA       PRO  19  32.212   6.939  -3.096
  126    HB2  PRO  19           HB2      PRO  19  29.564   6.959  -3.649
  127    HB3  PRO  19           HB3      PRO  19  30.593   5.531  -3.973
  128    HG2  PRO  19           HG2      PRO  19  28.769   6.000  -1.596
  129    HG3  PRO  19           HG3      PRO  19  28.934   4.523  -2.595
  130    HD2  PRO  19           HD2      PRO  19  30.228   4.892  -0.187
  131    HD3  PRO  19           HD3      PRO  19  30.885   3.880  -1.510
  132    H    SER  20           H        SER  20  32.887   8.819  -2.148
  133    HA   SER  20           HA       SER  20  31.128  10.600  -0.590
  134    HG   SER  20           HG       SER  20  32.953  10.544   0.703
  135    HB2  SER  20           HB2      SER  20  33.840  11.013  -1.945
  136    HB3  SER  20           HB3      SER  20  32.994  12.237  -0.980
  Start of MODEL   27
    1    HA   ASP   1           HA       ASP   1  25.151   8.619  -3.535
    2    H1   ASP   1           H1       ASP   1  25.904   8.785  -5.775
    3    H2   ASP   1           H2       ASP   1  24.356   8.676  -6.357
    4    H3   ASP   1           H3       ASP   1  24.799   9.986  -5.449
    5    HB2  ASP   1           HB2      ASP   1  22.456   8.862  -4.866
    6    HB3  ASP   1           HB3      ASP   1  22.624   8.134  -3.253
    7    H    ALA   2           H        ALA   2  26.061   6.742  -3.123
    8    HA   ALA   2           HA       ALA   2  24.505   4.294  -3.734
    9    HB1  ALA   2           HB3      ALA   2  26.561   3.084  -4.371
   10    HB2  ALA   2           HB1      ALA   2  26.202   4.420  -5.476
   11    HB3  ALA   2           HB2      ALA   2  27.488   4.600  -4.272
   12    H    TYR   3           H        TYR   3  25.502   6.178  -1.306
   13    HA   TYR   3           HA       TYR   3  27.128   4.617   0.370
   14    HD1  TYR   3           HD1      TYR   3  26.130   5.050   3.532
   15    HD2  TYR   3           HD2      TYR   3  28.377   7.859   1.137
   16    HE1  TYR   3           HE1      TYR   3  27.851   5.233   5.330
   17    HE2  TYR   3           HE2      TYR   3  30.062   8.048   2.926
   18    HH   TYR   3           HH       TYR   3  30.471   7.587   5.185
   19    HB2  TYR   3           HB2      TYR   3  26.288   7.153   0.397
   20    HB3  TYR   3           HB3      TYR   3  25.107   6.525   1.528
   21    H    ALA   4           H        ALA   4  23.564   4.718   0.156
   22    HA   ALA   4           HA       ALA   4  22.969   3.047   2.378
   23    HB1  ALA   4           HB3      ALA   4  20.781   2.844   1.358
   24    HB2  ALA   4           HB1      ALA   4  21.355   4.498   1.078
   25    HB3  ALA   4           HB2      ALA   4  21.415   3.300  -0.237
   26    H    GLN   5           H        GLN   5  23.981   2.238  -0.927
   27    HA   GLN   5           HA       GLN   5  23.529  -0.638  -0.593
   28    HB2  GLN   5           HB2      GLN   5  23.506   0.729  -2.828
   29    HB3  GLN   5           HB3      GLN   5  25.266   0.644  -2.716
   30    HG2  GLN   5           HG2      GLN   5  24.463  -2.011  -2.219
   31    HG3  GLN   5           HG3      GLN   5  23.275  -1.447  -3.389
   32   HE21  GLN   5          HE22      GLN   5  26.468  -2.729  -2.990
   33   HE22  GLN   5          HE21      GLN   5  26.947  -2.402  -4.667
   34    H    TRP   6           H        TRP   6  26.333   1.637  -0.592
   35    HA   TRP   6           HA       TRP   6  28.405  -0.173  -0.094
   36    HD1  TRP   6           HD1      TRP   6  30.947   0.971  -0.809
   37    HE1  TRP   6           HE1      TRP   6  33.105   0.889   0.625
   38    HE3  TRP   6           HE3      TRP   6  29.072   2.771   3.602
   39    HZ2  TRP   6           HZ2      TRP   6  33.914   1.659   3.232
   40    HZ3  TRP   6           HZ3      TRP   6  30.573   3.084   5.557
   41    HH2  TRP   6           HH2      TRP   6  32.993   2.552   5.383
   42    HB2  TRP   6           HB2      TRP   6  28.608   2.304  -0.465
   43    HB3  TRP   6           HB3      TRP   6  28.105   2.565   1.199
   44    H    LEU   7           H        LEU   7  26.347   1.362   2.435
   45    HA   LEU   7           HA       LEU   7  27.387  -0.216   4.603
   46    HG   LEU   7           HG       LEU   7  26.667   2.691   4.333
   47    HB2  LEU   7           HB2      LEU   7  24.677   1.109   4.220
   48    HB3  LEU   7           HB3      LEU   7  25.223   0.397   5.739
   49   HD11  LEU   7          HD11      LEU   7  24.430   3.383   5.059
   50   HD12  LEU   7          HD12      LEU   7  24.727   2.719   6.682
   51   HD13  LEU   7          HD13      LEU   7  25.666   4.109   6.099
   52   HD21  LEU   7          HD23      LEU   7  27.778   2.992   6.525
   53   HD22  LEU   7          HD21      LEU   7  26.958   1.546   7.147
   54   HD23  LEU   7          HD22      LEU   7  28.154   1.412   5.839
   55    H    LYS   8           H        LYS   8  24.779  -0.963   2.291
   56    HA   LYS   8           HA       LYS   8  23.736  -3.284   3.593
   57    HB2  LYS   8           HB2      LYS   8  22.807  -1.953   1.547
   58    HB3  LYS   8           HB3      LYS   8  23.915  -2.902   0.578
   59    HG2  LYS   8           HG2      LYS   8  21.867  -4.021   0.392
   60    HG3  LYS   8           HG3      LYS   8  22.855  -4.996   1.463
   61    HD2  LYS   8           HD2      LYS   8  20.839  -5.062   2.544
   62    HD3  LYS   8           HD3      LYS   8  21.573  -3.721   3.407
   63    HE2  LYS   8           HE2      LYS   8  19.634  -3.502   1.050
   64    HE3  LYS   8           HE3      LYS   8  19.174  -3.386   2.750
   65    HZ1  LYS   8           HZ3      LYS   8  19.427  -1.200   1.821
   66    HZ2  LYS   8           HZ1      LYS   8  20.623  -1.429   2.929
   67    HZ3  LYS   8           HZ2      LYS   8  20.966  -1.504   1.331
   68    H    ASP   9           H        ASP   9  26.405  -2.952   1.272
   69    HA   ASP   9           HA       ASP   9  27.107  -5.787   1.326
   70    HB2  ASP   9           HB2      ASP   9  28.526  -3.335   0.222
   71    HB3  ASP   9           HB3      ASP   9  29.061  -5.004  -0.016
   72    H    GLY  10           H        GLY  10  27.199  -4.099   3.937
   73    HA2  GLY  10           HA2      GLY  10  28.312  -4.549   5.920
   74    HA3  GLY  10           HA3      GLY  10  29.572  -5.422   5.045
   75    H    GLY  11           H        GLY  11  28.770  -2.199   3.930
   76    HA2  GLY  11           HA2      GLY  11  29.901  -0.227   3.911
   77    HA3  GLY  11           HA3      GLY  11  30.483  -0.580   5.534
   78    HA   PRO  12           HA       PRO  12  34.294  -0.981   3.128
   79    HB2  PRO  12           HB2      PRO  12  36.136  -1.129   5.124
   80    HB3  PRO  12           HB3      PRO  12  35.244   0.371   4.740
   81    HG2  PRO  12           HG2      PRO  12  34.690  -1.616   6.951
   82    HG3  PRO  12           HG3      PRO  12  34.678   0.176   7.022
   83    HD2  PRO  12           HD2      PRO  12  32.415  -1.415   6.701
   84    HD3  PRO  12           HD3      PRO  12  32.526   0.281   6.159
   85    H    SER  13           H        SER  13  32.918  -3.503   5.120
   86    HA   SER  13           HA       SER  13  34.974  -5.407   5.184
   87    HG   SER  13           HG       SER  13  32.248  -6.105   7.217
   88    HB2  SER  13           HB2      SER  13  31.964  -5.755   4.994
   89    HB3  SER  13           HB3      SER  13  33.093  -7.094   5.282
   90    H    SER  14           H        SER  14  32.878  -4.621   2.417
   91    HA   SER  14           HA       SER  14  33.688  -6.906   0.823
   92    HG   SER  14           HG       SER  14  30.878  -4.911   1.343
   93    HB2  SER  14           HB2      SER  14  32.629  -4.975  -0.884
   94    HB3  SER  14           HB3      SER  14  31.753  -6.303  -0.129
   95    H    GLY  15           H        GLY  15  35.506  -4.224   1.760
   96    HA2  GLY  15           HA2      GLY  15  37.556  -3.494   1.018
   97    HA3  GLY  15           HA3      GLY  15  37.482  -4.632  -0.327
   98    H    ARG  16           H        ARG  16  34.731  -2.712  -0.272
   99    HA   ARG  16           HA       ARG  16  35.485  -1.201  -2.671
  100    HE   ARG  16           HE       ARG  16  31.270   0.890  -4.471
  101    HB2  ARG  16           HB2      ARG  16  33.326  -2.415  -2.470
  102    HB3  ARG  16           HB3      ARG  16  32.925  -1.478  -1.043
  103    HG2  ARG  16           HG2      ARG  16  31.683  -0.322  -2.491
  104    HG3  ARG  16           HG3      ARG  16  33.159   0.598  -2.753
  105    HD2  ARG  16           HD2      ARG  16  33.612  -0.639  -4.808
  106    HD3  ARG  16           HD3      ARG  16  32.285  -1.770  -4.450
  107   HH11  ARG  16          HH11      ARG  16  32.377  -1.476  -6.777
  108   HH12  ARG  16          HH12      ARG  16  31.277  -0.959  -8.029
  109   HH21  ARG  16          HH21      ARG  16  29.823   1.511  -6.066
  110   HH22  ARG  16          HH22      ARG  16  29.854   0.721  -7.610
  111    HA   PRO  17           HA       PRO  17  36.330   2.452  -0.122
  112    HB2  PRO  17           HB2      PRO  17  36.508   4.381  -2.089
  113    HB3  PRO  17           HB3      PRO  17  37.804   3.211  -1.702
  114    HG2  PRO  17           HG2      PRO  17  35.746   3.062  -3.914
  115    HG3  PRO  17           HG3      PRO  17  37.502   2.714  -3.997
  116    HD2  PRO  17           HD2      PRO  17  35.597   0.759  -3.744
  117    HD3  PRO  17           HD3      PRO  17  37.224   0.599  -3.014
  118    HA   PRO  18           HA       PRO  18  32.153   3.967   0.294
  119    HB2  PRO  18           HB2      PRO  18  32.529   6.223   1.855
  120    HB3  PRO  18           HB3      PRO  18  32.561   4.547   2.461
  121    HG2  PRO  18           HG2      PRO  18  34.898   6.308   1.696
  122    HG3  PRO  18           HG3      PRO  18  34.725   5.248   3.133
  123    HD2  PRO  18           HD2      PRO  18  36.127   4.486   0.923
  124    HD3  PRO  18           HD3      PRO  18  35.163   3.309   1.866
  125    HA   PRO  19           HA       PRO  19  32.053   7.121  -2.944
  126    HB2  PRO  19           HB2      PRO  19  29.374   7.305  -3.356
  127    HB3  PRO  19           HB3      PRO  19  30.312   5.849  -3.810
  128    HG2  PRO  19           HG2      PRO  19  28.631   6.281  -1.324
  129    HG3  PRO  19           HG3      PRO  19  28.681   4.848  -2.394
  130    HD2  PRO  19           HD2      PRO  19  30.097   5.044  -0.038
  131    HD3  PRO  19           HD3      PRO  19  30.636   4.057  -1.432
  132    H    SER  20           H        SER  20  32.296   9.251  -2.712
  133    HA   SER  20           HA       SER  20  31.245  10.737  -0.399
  134    HG   SER  20           HG       SER  20  31.402  12.953  -1.120
  135    HB2  SER  20           HB2      SER  20  33.562  11.170  -1.327
  136    HB3  SER  20           HB3      SER  20  32.773  11.800  -2.804
  Start of MODEL   28
    1    HA   ASP   1           HA       ASP   1  24.567   8.482  -4.034
    2    H1   ASP   1           H1       ASP   1  26.672   9.070  -3.051
    3    H2   ASP   1           H2       ASP   1  27.433   8.927  -4.490
    4    H3   ASP   1           H3       ASP   1  26.287  10.101  -4.291
    5    HB2  ASP   1           HB2      ASP   1  25.780   9.193  -6.428
    6    HB3  ASP   1           HB3      ASP   1  25.713   7.424  -6.529
    7    H    ALA   2           H        ALA   2  24.105   6.080  -4.820
    8    HA   ALA   2           HA       ALA   2  24.158   3.886  -4.159
    9    HB1  ALA   2           HB3      ALA   2  26.100   2.674  -4.834
   10    HB2  ALA   2           HB1      ALA   2  25.938   4.070  -5.916
   11    HB3  ALA   2           HB2      ALA   2  27.148   4.090  -4.615
   12    H    TYR   3           H        TYR   3  25.235   5.957  -1.925
   13    HA   TYR   3           HA       TYR   3  26.845   4.611  -0.132
   14    HD1  TYR   3           HD2      TYR   3  28.382   6.221   1.132
   15    HD2  TYR   3           HD1      TYR   3  24.468   6.703   2.892
   16    HE1  TYR   3           HE2      TYR   3  29.408   6.280   3.395
   17    HE2  TYR   3           HE1      TYR   3  25.513   6.842   5.151
   18    HH   TYR   3           HH       TYR   3  28.897   6.074   5.705
   19    HB2  TYR   3           HB2      TYR   3  26.260   7.041  -0.169
   20    HB3  TYR   3           HB3      TYR   3  24.692   6.654   0.530
   21    H    ALA   4           H        ALA   4  23.261   4.541  -0.148
   22    HA   ALA   4           HA       ALA   4  22.845   3.005   2.199
   23    HB1  ALA   4           HB3      ALA   4  20.684   2.428   1.143
   24    HB2  ALA   4           HB1      ALA   4  21.052   4.150   0.935
   25    HB3  ALA   4           HB2      ALA   4  21.273   3.024  -0.423
   26    H    GLN   5           H        GLN   5  23.534   1.944  -1.150
   27    HA   GLN   5           HA       GLN   5  23.362  -0.862  -0.555
   28    HB2  GLN   5           HB2      GLN   5  23.132   0.430  -2.809
   29    HB3  GLN   5           HB3      GLN   5  24.890   0.246  -2.918
   30    HG2  GLN   5           HG2      GLN   5  24.698  -2.178  -2.820
   31    HG3  GLN   5           HG3      GLN   5  22.989  -2.087  -2.375
   32   HE21  GLN   5          HE22      GLN   5  24.216  -3.517  -4.742
   33   HE22  GLN   5          HE21      GLN   5  23.334  -2.746  -6.073
   34    H    TRP   6           H        TRP   6  26.082   1.465  -0.786
   35    HA   TRP   6           HA       TRP   6  28.220  -0.308  -0.229
   36    HD1  TRP   6           HD1      TRP   6  30.765   0.786  -1.096
   37    HE1  TRP   6           HE1      TRP   6  32.911   0.836   0.357
   38    HE3  TRP   6           HE3      TRP   6  28.883   2.964   3.153
   39    HZ2  TRP   6           HZ2      TRP   6  33.732   1.867   2.839
   40    HZ3  TRP   6           HZ3      TRP   6  30.399   3.455   5.066
   41    HH2  TRP   6           HH2      TRP   6  32.825   2.946   4.910
   42    HB2  TRP   6           HB2      TRP   6  28.407   2.108  -0.866
   43    HB3  TRP   6           HB3      TRP   6  27.918   2.553   0.762
   44    H    LEU   7           H        LEU   7  26.193   1.460   2.180
   45    HA   LEU   7           HA       LEU   7  27.319   0.197   4.492
   46    HG   LEU   7           HG       LEU   7  26.413   3.000   3.869
   47    HB2  LEU   7           HB2      LEU   7  24.519   1.274   4.000
   48    HB3  LEU   7           HB3      LEU   7  25.142   0.815   5.581
   49   HD11  LEU   7          HD11      LEU   7  24.174   3.697   4.375
   50   HD12  LEU   7          HD12      LEU   7  24.298   3.119   6.056
   51   HD13  LEU   7          HD13      LEU   7  25.243   4.517   5.526
   52   HD21  LEU   7          HD23      LEU   7  27.476   3.701   5.937
   53   HD22  LEU   7          HD21      LEU   7  26.684   2.394   6.840
   54   HD23  LEU   7          HD22      LEU   7  27.912   2.021   5.608
   55    H    LYS   8           H        LYS   8  24.577  -0.843   2.440
   56    HA   LYS   8           HA       LYS   8  23.834  -3.154   3.917
   57    HB2  LYS   8           HB2      LYS   8  23.436  -2.101   1.157
   58    HB3  LYS   8           HB3      LYS   8  23.260  -3.824   1.275
   59    HG2  LYS   8           HG2      LYS   8  21.774  -1.815   3.019
   60    HG3  LYS   8           HG3      LYS   8  21.143  -2.515   1.529
   61    HD2  LYS   8           HD2      LYS   8  21.797  -4.061   4.086
   62    HD3  LYS   8           HD3      LYS   8  20.210  -3.644   3.457
   63    HE2  LYS   8           HE2      LYS   8  20.230  -5.693   2.532
   64    HE3  LYS   8           HE3      LYS   8  21.185  -4.914   1.271
   65    HZ1  LYS   8           HZ3      LYS   8  22.321  -6.879   1.964
   66    HZ2  LYS   8           HZ1      LYS   8  23.213  -5.651   2.595
   67    HZ3  LYS   8           HZ2      LYS   8  22.204  -6.502   3.558
   68    H    ASP   9           H        ASP   9  26.631  -2.764   1.939
   69    HA   ASP   9           HA       ASP   9  27.268  -5.668   1.936
   70    HB2  ASP   9           HB2      ASP   9  28.397  -3.201   0.564
   71    HB3  ASP   9           HB3      ASP   9  29.312  -4.699   0.636
   72    H    GLY  10           H        GLY  10  27.229  -3.786   4.439
   73    HA2  GLY  10           HA2      GLY  10  28.404  -3.912   6.449
   74    HA3  GLY  10           HA3      GLY  10  29.646  -4.902   5.679
   75    H    GLY  11           H        GLY  11  28.720  -1.880   4.172
   76    HA2  GLY  11           HA2      GLY  11  29.859   0.040   3.724
   77    HA3  GLY  11           HA3      GLY  11  30.513  -0.025   5.357
   78    HA   PRO  12           HA       PRO  12  34.231  -0.733   2.912
   79    HB2  PRO  12           HB2      PRO  12  36.152  -0.621   4.840
   80    HB3  PRO  12           HB3      PRO  12  35.226   0.806   4.302
   81    HG2  PRO  12           HG2      PRO  12  34.809  -0.856   6.784
   82    HG3  PRO  12           HG3      PRO  12  34.726   0.923   6.590
   83    HD2  PRO  12           HD2      PRO  12  32.533  -0.811   6.589
   84    HD3  PRO  12           HD3      PRO  12  32.530   0.820   5.879
   85    H    SER  13           H        SER  13  32.935  -3.026   5.187
   86    HA   SER  13           HA       SER  13  35.014  -4.899   5.377
   87    HG   SER  13           HG       SER  13  33.925  -5.241   7.477
   88    HB2  SER  13           HB2      SER  13  32.002  -5.300   5.373
   89    HB3  SER  13           HB3      SER  13  33.172  -6.562   5.803
   90    H    SER  14           H        SER  14  32.714  -4.550   2.666
   91    HA   SER  14           HA       SER  14  33.668  -6.977   1.343
   92    HG   SER  14           HG       SER  14  30.344  -6.307   0.860
   93    HB2  SER  14           HB2      SER  14  31.820  -4.729   0.518
   94    HB3  SER  14           HB3      SER  14  32.305  -6.019  -0.606
   95    H    GLY  15           H        GLY  15  35.557  -4.421   1.907
   96    HA2  GLY  15           HA2      GLY  15  37.562  -3.820   0.921
   97    HA3  GLY  15           HA3      GLY  15  37.264  -5.005  -0.352
   98    H    ARG  16           H        ARG  16  34.821  -2.605   0.133
   99    HA   ARG  16           HA       ARG  16  35.542  -1.387  -2.483
  100    HE   ARG  16           HE       ARG  16  30.482  -1.511  -3.215
  101    HB2  ARG  16           HB2      ARG  16  33.422  -2.837  -2.117
  102    HB3  ARG  16           HB3      ARG  16  32.743  -1.447  -1.273
  103    HG2  ARG  16           HG2      ARG  16  32.560  -0.190  -3.251
  104    HG3  ARG  16           HG3      ARG  16  33.986  -0.947  -3.962
  105    HD2  ARG  16           HD2      ARG  16  32.300  -1.718  -5.302
  106    HD3  ARG  16           HD3      ARG  16  32.711  -3.074  -4.247
  107   HH11  ARG  16          HH11      ARG  16  31.263  -3.983  -5.544
  108   HH12  ARG  16          HH12      ARG  16  29.631  -4.593  -5.638
  109   HH21  ARG  16          HH21      ARG  16  28.383  -2.458  -3.217
  110   HH22  ARG  16          HH22      ARG  16  28.058  -3.732  -4.309
  111    HA   PRO  17           HA       PRO  17  36.138   2.300  -0.092
  112    HB2  PRO  17           HB2      PRO  17  36.418   4.224  -2.035
  113    HB3  PRO  17           HB3      PRO  17  37.651   2.973  -1.688
  114    HG2  PRO  17           HG2      PRO  17  35.564   2.990  -3.875
  115    HG3  PRO  17           HG3      PRO  17  37.294   2.537  -3.985
  116    HD2  PRO  17           HD2      PRO  17  35.239   0.736  -3.723
  117    HD3  PRO  17           HD3      PRO  17  36.885   0.411  -3.101
  118    HA   PRO  18           HA       PRO  18  32.098   4.083   0.364
  119    HB2  PRO  18           HB2      PRO  18  32.617   6.446   1.685
  120    HB3  PRO  18           HB3      PRO  18  32.671   4.831   2.435
  121    HG2  PRO  18           HG2      PRO  18  34.971   6.473   1.361
  122    HG3  PRO  18           HG3      PRO  18  34.883   5.550   2.896
  123    HD2  PRO  18           HD2      PRO  18  36.115   4.572   0.662
  124    HD3  PRO  18           HD3      PRO  18  35.227   3.503   1.789
  125    HA   PRO  19           HA       PRO  19  32.030   6.959  -3.151
  126    HB2  PRO  19           HB2      PRO  19  29.443   6.749  -3.869
  127    HB3  PRO  19           HB3      PRO  19  30.591   5.396  -4.084
  128    HG2  PRO  19           HG2      PRO  19  28.606   5.780  -1.812
  129    HG3  PRO  19           HG3      PRO  19  28.903   4.310  -2.788
  130    HD2  PRO  19           HD2      PRO  19  30.048   4.808  -0.322
  131    HD3  PRO  19           HD3      PRO  19  30.839   3.812  -1.583
  132    H    SER  20           H        SER  20  32.354   9.019  -2.503
  133    HA   SER  20           HA       SER  20  30.082  10.615  -1.413
  134    HG   SER  20           HG       SER  20  33.225  11.270  -1.733
  135    HB2  SER  20           HB2      SER  20  31.640  11.836   0.001
  136    HB3  SER  20           HB3      SER  20  31.805  10.101   0.391