*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BF3              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN7.3A                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: QDP(DPR)K(2TL)(DAS);                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   10-JAN-18 6BF3    0                                                
# Restraints file 1: survivor_1_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Surivivor_1 peptide !
!Updated 041317 mds
!Survivor_1, 9mer GLN ASP PRO pro LYS thr asp
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                    = 66
!long range          (j-i >6)  = 0
!short range    (2 > j-i < 5)  = 12
!sequential          (i to j)  = 16
!intraresidue        (i to i)  = 38

!------------------------------------------------------------!
 assign ( resid  2 and name HN   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HN   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HN   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  3 and name HD2  ) ( resid  3 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  3 and name HD1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD1  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD1  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD1  ) ( resid  3 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD1  ) ( resid  3 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HB#  ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HE#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HE#  ) ( resid  5 and name HZ#  ) 3.5 1.2 1.2
 assign ( resid  5 and name HG#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HZ#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
! assign ( resid  7 and name HG#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
! assign ( resid  7 and name HG#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN   1           H1       GLN   1  19.980  16.690  20.760
    2    HA   GLN   1           HA       GLN   1  19.120  14.660  21.010
    3    HB2  GLN   1           HB2      GLN   1  17.600  15.750  23.390
    4    HB3  GLN   1           HB1      GLN   1  18.130  14.130  23.180
    5    HG2  GLN   1           HG2      GLN   1  19.890  16.600  23.470
    6    HG3  GLN   1           HG1      GLN   1  19.620  15.510  24.750
    7   HE21  GLN   1          1HE2      GLN   1  20.230  13.210  24.190
    8   HE22  GLN   1          2HE2      GLN   1  21.670  12.820  23.220
    9    H    ASP   2           H        ASP   2  17.410  16.330  19.250
   10    HA   ASP   2           HA       ASP   2  15.250  14.240  19.030
   11    HB2  ASP   2           HB2      ASP   2  14.270  15.910  20.410
   12    HB3  ASP   2           HB1      ASP   2  14.730  17.180  19.300
   13    HA   PRO   3           HA       PRO   3  17.550  15.170  15.620
   14    HB2  PRO   3           HB2      PRO   3  17.090  13.150  13.750
   15    HB3  PRO   3           HB1      PRO   3  18.140  13.110  15.180
   16    HG2  PRO   3           HG2      PRO   3  15.180  12.400  14.860
   17    HG3  PRO   3           HG1      PRO   3  16.360  11.360  15.620
   18    HD2  PRO   3           HD2      PRO   3  14.870  12.870  17.340
   19    HD3  PRO   3           HD1      PRO   3  16.590  12.950  17.630
   20    HA   DPR   4           HA       DPR   4  15.250  16.620  12.070
   21    HB2  DPR   4           HB1      DPR   4  17.280  18.370  11.020
   22    HB3  DPR   4           HB2      DPR   4  17.140  16.720  10.520
   23    HG2  DPR   4           HG1      DPR   4  18.770  17.820  12.800
   24    HG3  DPR   4           HG2      DPR   4  19.230  16.740  11.430
   25    HD2  DPR   4           HD1      DPR   4  18.810  15.780  13.800
   26    HD3  DPR   4           HD2      DPR   4  17.980  14.880  12.510
   27    H    LYS   5           H        LYS   5  15.490  17.570  15.000
   28    HA   LYS   5           HA       LYS   5  14.640  20.240  14.350
   29    HB2  LYS   5           HB2      LYS   5  14.050  18.590  16.920
   30    HB3  LYS   5           HB1      LYS   5  13.590  20.220  16.550
   31    HG2  LYS   5           HG2      LYS   5  11.680  19.520  15.820
   32    HG3  LYS   5           HG1      LYS   5  12.500  19.030  14.350
   33    HD2  LYS   5           HD2      LYS   5  12.700  16.750  15.470
   34    HD3  LYS   5           HD1      LYS   5  11.740  17.350  16.790
   35    HE2  LYS   5           HE2      LYS   5   9.810  17.840  15.240
   36    HE3  LYS   5           HE1      LYS   5  10.820  17.300  13.940
   37    HZ1  LYS   5           HZ1      LYS   5  10.020  15.640  16.190
   38    HZ2  LYS   5           HZ2      LYS   5  11.090  15.110  15.060
   39    HZ3  LYS   5           HZ3      LYS   5   9.530  15.440  14.680
   40    H    DTH   6           H        DTH   6  16.800  18.560  16.670
   41    HA   DTH   6           HA       DTH   6  17.870  21.060  17.720
   42    HB   DTH   6           HB       DTH   6  20.260  20.320  17.190
   43   HG21  DTH   6          1HG2      DTH   6  18.970  19.290  14.580
   44   HG22  DTH   6          2HG2      DTH   6  19.780  18.230  15.780
   45   HG23  DTH   6          3HG2      DTH   6  20.670  19.530  15.030
   46    HG1  DTH   6           HG1      DTH   6  18.690  21.230  15.060
   47    H    DAS   7           H        DAS   7  18.630  20.790  19.650
   48    HA   DAS   7           HA       DAS   7  18.980  19.720  21.660
   49    HB2  DAS   7           HB1      DAS   7  20.920  18.190  19.980
   50    HB3  DAS   7           HB2      DAS   7  21.040  18.420  21.640
  Start of MODEL    2
    1    H1   GLN   1           H1       GLN   1  19.908  16.642  20.932
    2    HA   GLN   1           HA       GLN   1  19.106  14.676  21.022
    3    HB2  GLN   1           HB2      GLN   1  17.257  15.501  23.147
    4    HB3  GLN   1           HB1      GLN   1  18.172  13.925  22.978
    5    HG2  GLN   1           HG2      GLN   1  19.355  16.545  23.807
    6    HG3  GLN   1           HG1      GLN   1  18.822  15.341  24.975
    7   HE21  GLN   1          1HE2      GLN   1  19.534  12.952  24.438
    8   HE22  GLN   1          2HE2      GLN   1  21.286  12.882  24.117
    9    H    ASP   2           H        ASP   2  17.253  16.556  19.263
   10    HA   ASP   2           HA       ASP   2  15.272  14.454  19.033
   11    HB2  ASP   2           HB2      ASP   2  14.407  16.340  20.285
   12    HB3  ASP   2           HB1      ASP   2  14.651  17.421  18.862
   13    HA   PRO   3           HA       PRO   3  17.707  14.918  15.468
   14    HB2  PRO   3           HB2      PRO   3  17.177  12.690  13.965
   15    HB3  PRO   3           HB1      PRO   3  17.959  12.685  15.595
   16    HG2  PRO   3           HG2      PRO   3  15.063  12.302  14.982
   17    HG3  PRO   3           HG1      PRO   3  16.082  11.198  15.905
   18    HD2  PRO   3           HD2      PRO   3  14.493  13.035  17.083
   19    HD3  PRO   3           HD1      PRO   3  16.078  12.753  17.775
   20    HA   DPR   4           HA       DPR   4  15.485  16.624  11.920
   21    HB2  DPR   4           HB1      DPR   4  17.803  18.517  12.256
   22    HB3  DPR   4           HB2      DPR   4  17.172  17.919  10.753
   23    HG2  DPR   4           HG1      DPR   4  19.388  16.753  11.639
   24    HG3  DPR   4           HG2      DPR   4  18.039  15.686  11.081
   25    HD2  DPR   4           HD1      DPR   4  18.700  16.695  13.876
   26    HD3  DPR   4           HD2      DPR   4  18.625  14.995  13.413
   27    H    LYS   5           H        LYS   5  16.015  17.684  15.082
   28    HA   LYS   5           HA       LYS   5  14.672  20.300  14.588
   29    HB2  LYS   5           HB2      LYS   5  13.854  18.256  16.623
   30    HB3  LYS   5           HB1      LYS   5  13.216  19.878  16.609
   31    HG2  LYS   5           HG2      LYS   5  12.213  19.513  14.309
   32    HG3  LYS   5           HG1      LYS   5  12.777  17.900  14.337
   33    HD2  LYS   5           HD2      LYS   5  11.531  17.587  16.596
   34    HD3  LYS   5           HD1      LYS   5  10.650  19.100  16.251
   35    HE2  LYS   5           HE2      LYS   5   9.926  18.220  14.109
   36    HE3  LYS   5           HE1      LYS   5  10.874  16.780  14.401
   37    HZ1  LYS   5           HZ1      LYS   5   8.732  16.311  15.200
   38    HZ2  LYS   5           HZ2      LYS   5   8.466  17.671  15.879
   39    HZ3  LYS   5           HZ3      LYS   5   9.498  16.516  16.571
   40    H    DTH   6           H        DTH   6  17.180  18.612  16.057
   41    HA   DTH   6           HA       DTH   6  17.734  21.015  17.778
   42    HB   DTH   6           HB       DTH   6  20.225  20.514  17.279
   43   HG21  DTH   6          1HG2      DTH   6  20.847  19.639  15.216
   44   HG22  DTH   6          2HG2      DTH   6  19.107  19.295  14.837
   45   HG23  DTH   6          3HG2      DTH   6  19.946  18.430  16.207
   46    HG1  DTH   6           HG1      DTH   6  19.724  22.291  16.154
   47    H    DAS   7           H        DAS   7  18.552  20.785  19.698
   48    HA   DAS   7           HA       DAS   7  19.180  19.851  21.542
   49    HB2  DAS   7           HB1      DAS   7  20.909  18.040  19.944
   50    HB3  DAS   7           HB2      DAS   7  21.130  18.567  21.549
  Start of MODEL    3
    1    H1   GLN   1           H1       GLN   1  19.891  16.846  20.056
    2    HA   GLN   1           HA       GLN   1  19.453  14.806  20.234
    3    HB2  GLN   1           HB2      GLN   1  18.466  15.121  22.950
    4    HB3  GLN   1           HB1      GLN   1  18.684  13.605  22.007
    5    HG2  GLN   1           HG2      GLN   1  21.063  13.857  21.718
    6    HG3  GLN   1           HG1      GLN   1  20.988  15.377  22.604
    7   HE21  GLN   1          1HE2      GLN   1  22.686  12.847  23.032
    8   HE22  GLN   1          2HE2      GLN   1  22.013  12.227  24.530
    9    H    ASP   2           H        ASP   2  17.302  16.902  19.327
   10    HA   ASP   2           HA       ASP   2  15.090  14.900  19.040
   11    HB2  ASP   2           HB2      ASP   2  14.837  17.228  20.161
   12    HB3  ASP   2           HB1      ASP   2  15.146  17.822  18.485
   13    HA   PRO   3           HA       PRO   3  17.229  13.973  15.301
   14    HB2  PRO   3           HB2      PRO   3  14.473  12.885  14.715
   15    HB3  PRO   3           HB1      PRO   3  16.086  12.153  14.299
   16    HG2  PRO   3           HG2      PRO   3  14.641  11.332  16.502
   17    HG3  PRO   3           HG1      PRO   3  16.439  11.520  16.458
   18    HD2  PRO   3           HD2      PRO   3  14.135  13.354  17.402
   19    HD3  PRO   3           HD1      PRO   3  15.749  13.039  18.169
   20    HA   DPR   4           HA       DPR   4  15.786  16.657  12.000
   21    HB2  DPR   4           HB1      DPR   4  18.072  18.202  11.664
   22    HB3  DPR   4           HB2      DPR   4  17.921  16.471  11.113
   23    HG2  DPR   4           HG1      DPR   4  19.008  17.604  13.652
   24    HG3  DPR   4           HG2      DPR   4  19.845  16.440  12.595
   25    HD2  DPR   4           HD1      DPR   4  18.486  15.614  14.828
   26    HD3  DPR   4           HD2      DPR   4  18.503  14.689  13.311
   27    H    LYS   5           H        LYS   5  16.110  17.551  15.110
   28    HA   LYS   5           HA       LYS   5  14.700  20.106  14.442
   29    HB2  LYS   5           HB2      LYS   5  14.130  18.050  16.471
   30    HB3  LYS   5           HB1      LYS   5  13.393  19.694  16.484
   31    HG2  LYS   5           HG2      LYS   5  12.504  19.354  14.216
   32    HG3  LYS   5           HG1      LYS   5  13.089  17.677  14.160
   33    HD2  LYS   5           HD2      LYS   5  11.691  17.174  16.049
   34    HD3  LYS   5           HD1      LYS   5  11.130  18.980  16.113
   35    HE2  LYS   5           HE2      LYS   5  10.173  18.816  14.040
   36    HE3  LYS   5           HE1      LYS   5  10.780  17.214  13.681
   37    HZ1  LYS   5           HZ1      LYS   5   8.527  16.959  14.270
   38    HZ2  LYS   5           HZ2      LYS   5   8.702  17.919  15.582
   39    HZ3  LYS   5           HZ3      LYS   5   9.349  16.462  15.615
   40    H    DTH   6           H        DTH   6  17.296  18.813  16.259
   41    HA   DTH   6           HA       DTH   6  17.276  21.162  18.068
   42    HB   DTH   6           HB       DTH   6  19.619  21.681  17.848
   43   HG21  DTH   6          1HG2      DTH   6  20.699  19.698  17.098
   44   HG22  DTH   6          2HG2      DTH   6  20.901  20.998  15.931
   45   HG23  DTH   6          3HG2      DTH   6  19.697  19.647  15.660
   46    HG1  DTH   6           HG1      DTH   6  18.586  22.918  16.635
   47    H    DAS   7           H        DAS   7  18.581  20.844  19.922
   48    HA   DAS   7           HA       DAS   7  18.682  19.754  21.777
   49    HB2  DAS   7           HB1      DAS   7  21.156  18.551  20.579
   50    HB3  DAS   7           HB2      DAS   7  20.796  19.052  22.253
  Start of MODEL    4
    1    H1   GLN   1           H1       GLN   1  20.005  16.430  20.513
    2    HA   GLN   1           HA       GLN   1  18.990  14.582  20.775
    3    HB2  GLN   1           HB2      GLN   1  17.786  15.530  23.378
    4    HB3  GLN   1           HB1      GLN   1  17.785  13.911  22.665
    5    HG2  GLN   1           HG2      GLN   1  20.379  14.094  22.676
    6    HG3  GLN   1           HG1      GLN   1  20.176  15.641  23.463
    7   HE21  GLN   1          1HE2      GLN   1  21.662  13.615  24.608
    8   HE22  GLN   1          2HE2      GLN   1  20.728  12.974  25.977
    9    H    ASP   2           H        ASP   2  17.538  16.560  19.120
   10    HA   ASP   2           HA       ASP   2  15.046  14.994  18.949
   11    HB2  ASP   2           HB2      ASP   2  14.688  17.276  19.975
   12    HB3  ASP   2           HB1      ASP   2  14.950  17.811  18.237
   13    HA   PRO   3           HA       PRO   3  17.734  14.432  15.272
   14    HB2  PRO   3           HB2      PRO   3  15.727  12.577  14.414
   15    HB3  PRO   3           HB1      PRO   3  17.536  12.530  14.551
   16    HG2  PRO   3           HG2      PRO   3  15.757  11.288  16.490
   17    HG3  PRO   3           HG1      PRO   3  17.440  11.873  16.780
   18    HD2  PRO   3           HD2      PRO   3  15.007  13.172  17.652
   19    HD3  PRO   3           HD1      PRO   3  16.714  13.210  18.246
   20    HA   DPR   4           HA       DPR   4  15.589  16.482  11.887
   21    HB2  DPR   4           HB1      DPR   4  17.290  18.498  11.556
   22    HB3  DPR   4           HB2      DPR   4  17.804  16.829  11.034
   23    HG2  DPR   4           HG1      DPR   4  18.461  18.420  13.576
   24    HG3  DPR   4           HG2      DPR   4  19.543  17.367  12.509
   25    HD2  DPR   4           HD1      DPR   4  18.557  16.321  14.706
   26    HD3  DPR   4           HD2      DPR   4  18.681  15.371  13.199
   27    H    LYS   5           H        LYS   5  16.166  17.883  15.004
   28    HA   LYS   5           HA       LYS   5  14.563  20.286  14.394
   29    HB2  LYS   5           HB2      LYS   5  13.780  18.099  16.340
   30    HB3  LYS   5           HB1      LYS   5  13.341  19.825  16.438
   31    HG2  LYS   5           HG2      LYS   5  12.444  19.540  14.086
   32    HG3  LYS   5           HG1      LYS   5  12.716  17.816  14.237
   33    HD2  LYS   5           HD2      LYS   5  11.166  17.839  16.145
   34    HD3  LYS   5           HD1      LYS   5  10.653  19.567  15.800
   35    HE2  LYS   5           HE2      LYS   5  10.082  18.879  13.545
   36    HE3  LYS   5           HE1      LYS   5  10.537  17.288  13.770
   37    HZ1  LYS   5           HZ1      LYS   5   8.349  18.659  15.328
   38    HZ2  LYS   5           HZ2      LYS   5   8.697  17.079  15.428
   39    HZ3  LYS   5           HZ3      LYS   5   8.168  17.624  14.034
   40    H    DTH   6           H        DTH   6  16.870  18.597  16.482
   41    HA   DTH   6           HA       DTH   6  17.089  20.808  18.258
   42    HB   DTH   6           HB       DTH   6  19.477  21.438  17.726
   43   HG21  DTH   6          1HG2      DTH   6  19.246  19.363  15.428
   44   HG22  DTH   6          2HG2      DTH   6  20.333  19.260  16.763
   45   HG23  DTH   6          3HG2      DTH   6  20.627  20.529  15.686
   46    HG1  DTH   6           HG1      DTH   6  18.196  22.721  16.652
   47    H    DAS   7           H        DAS   7  18.591  20.693  19.958
   48    HA   DAS   7           HA       DAS   7  19.408  19.586  21.715
   49    HB2  DAS   7           HB1      DAS   7  21.002  17.983  19.721
   50    HB3  DAS   7           HB2      DAS   7  21.383  18.383  21.395
  Start of MODEL    5
    1    H1   GLN   1           H1       GLN   1  19.897  16.644  20.217
    2    HA   GLN   1           HA       GLN   1  19.222  14.579  20.478
    3    HB2  GLN   1           HB2      GLN   1  18.024  15.322  23.125
    4    HB3  GLN   1           HB1      GLN   1  18.650  13.697  22.573
    5    HG2  GLN   1           HG2      GLN   1  20.952  14.654  22.434
    6    HG3  GLN   1           HG1      GLN   1  20.362  16.053  23.300
    7   HE21  GLN   1          1HE2      GLN   1  22.044  15.399  24.976
    8   HE22  GLN   1          2HE2      GLN   1  21.632  14.126  26.086
    9    H    ASP   2           H        ASP   2  17.642  16.278  19.055
   10    HA   ASP   2           HA       ASP   2  15.085  14.832  19.072
   11    HB2  ASP   2           HB2      ASP   2  14.907  17.043  20.351
   12    HB3  ASP   2           HB1      ASP   2  15.324  17.811  18.938
   13    HA   PRO   3           HA       PRO   3  17.451  14.203  15.375
   14    HB2  PRO   3           HB2      PRO   3  14.746  13.129  14.726
   15    HB3  PRO   3           HB1      PRO   3  16.280  12.548  14.095
   16    HG2  PRO   3           HG2      PRO   3  15.209  11.329  16.376
   17    HG3  PRO   3           HG1      PRO   3  16.869  11.805  16.264
   18    HD2  PRO   3           HD2      PRO   3  14.635  13.278  17.672
   19    HD3  PRO   3           HD1      PRO   3  16.348  13.196  18.162
   20    HA   DPR   4           HA       DPR   4  15.620  16.559  11.923
   21    HB2  DPR   4           HB1      DPR   4  18.105  18.220  12.079
   22    HB3  DPR   4           HB2      DPR   4  17.320  17.472  10.652
   23    HG2  DPR   4           HG1      DPR   4  19.457  16.307  11.596
   24    HG3  DPR   4           HG2      DPR   4  18.081  15.321  11.019
   25    HD2  DPR   4           HD1      DPR   4  18.857  16.080  13.789
   26    HD3  DPR   4           HD2      DPR   4  18.247  14.493  13.245
   27    H    LYS   5           H        LYS   5  16.314  17.880  14.903
   28    HA   LYS   5           HA       LYS   5  14.641  20.265  14.399
   29    HB2  LYS   5           HB2      LYS   5  14.034  18.190  16.471
   30    HB3  LYS   5           HB1      LYS   5  13.330  19.808  16.367
   31    HG2  LYS   5           HG2      LYS   5  12.290  19.385  14.107
   32    HG3  LYS   5           HG1      LYS   5  12.907  17.784  14.185
   33    HD2  LYS   5           HD2      LYS   5  11.629  17.369  16.284
   34    HD3  LYS   5           HD1      LYS   5  10.880  18.956  16.142
   35    HE2  LYS   5           HE2      LYS   5   9.910  18.507  14.068
   36    HE3  LYS   5           HE1      LYS   5  10.737  16.951  13.906
   37    HZ1  LYS   5           HZ1      LYS   5   8.521  17.703  15.685
   38    HZ2  LYS   5           HZ2      LYS   5   9.576  16.663  16.284
   39    HZ3  LYS   5           HZ3      LYS   5   8.705  16.277  14.918
   40    H    DTH   6           H        DTH   6  16.756  18.587  16.521
   41    HA   DTH   6           HA       DTH   6  17.579  20.986  17.993
   42    HB   DTH   6           HB       DTH   6  19.941  21.044  17.313
   43   HG21  DTH   6          1HG2      DTH   6  20.589  19.987  15.315
   44   HG22  DTH   6          2HG2      DTH   6  19.124  18.959  15.244
   45   HG23  DTH   6          3HG2      DTH   6  20.373  18.696  16.546
   46    HG1  DTH   6           HG1      DTH   6  18.070  21.049  15.186
   47    H    DAS   7           H        DAS   7  18.596  20.739  19.759
   48    HA   DAS   7           HA       DAS   7  18.581  19.838  21.641
   49    HB2  DAS   7           HB1      DAS   7  21.032  18.240  21.102
   50    HB3  DAS   7           HB2      DAS   7  20.592  19.258  22.446
  Start of MODEL    6
    1    H1   GLN   1           H1       GLN   1  19.948  16.747  20.111
    2    HA   GLN   1           HA       GLN   1  19.326  14.637  20.384
    3    HB2  GLN   1           HB2      GLN   1  18.329  15.479  23.145
    4    HB3  GLN   1           HB1      GLN   1  18.480  13.880  22.615
    5    HG2  GLN   1           HG2      GLN   1  20.264  14.285  23.828
    6    HG3  GLN   1           HG1      GLN   1  20.951  14.131  22.236
    7   HE21  GLN   1          1HE2      GLN   1  19.745  16.533  24.840
    8   HE22  GLN   1          2HE2      GLN   1  20.765  17.798  24.407
    9    H    ASP   2           H        ASP   2  17.567  16.428  19.048
   10    HA   ASP   2           HA       ASP   2  15.191  14.768  19.175
   11    HB2  ASP   2           HB2      ASP   2  14.681  16.940  20.343
   12    HB3  ASP   2           HB1      ASP   2  15.082  17.763  18.767
   13    HA   PRO   3           HA       PRO   3  17.158  14.061  15.489
   14    HB2  PRO   3           HB2      PRO   3  14.444  13.019  14.679
   15    HB3  PRO   3           HB1      PRO   3  16.059  12.485  14.119
   16    HG2  PRO   3           HG2      PRO   3  14.945  11.406  16.372
   17    HG3  PRO   3           HG1      PRO   3  16.727  11.850  16.299
   18    HD2  PRO   3           HD2      PRO   3  14.313  13.175  17.559
   19    HD3  PRO   3           HD1      PRO   3  15.891  13.084  18.167
   20    HA   DPR   4           HA       DPR   4  16.012  16.623  11.907
   21    HB2  DPR   4           HB1      DPR   4  18.251  18.251  11.714
   22    HB3  DPR   4           HB2      DPR   4  18.301  16.564  11.242
   23    HG2  DPR   4           HG1      DPR   4  19.194  17.813  13.801
   24    HG3  DPR   4           HG2      DPR   4  20.054  16.590  12.824
   25    HD2  DPR   4           HD1      DPR   4  18.512  16.037  15.049
   26    HD3  DPR   4           HD2      DPR   4  18.679  14.941  13.755
   27    H    LYS   5           H        LYS   5  15.830  17.458  15.119
   28    HA   LYS   5           HA       LYS   5  14.633  20.060  14.338
   29    HB2  LYS   5           HB2      LYS   5  13.918  18.202  16.655
   30    HB3  LYS   5           HB1      LYS   5  13.189  19.702  16.294
   31    HG2  LYS   5           HG2      LYS   5  13.365  17.223  14.463
   32    HG3  LYS   5           HG1      LYS   5  12.052  17.616  15.565
   33    HD2  LYS   5           HD2      LYS   5  11.489  19.620  14.372
   34    HD3  LYS   5           HD1      LYS   5  12.841  19.476  13.273
   35    HE2  LYS   5           HE2      LYS   5  12.053  17.307  12.504
   36    HE3  LYS   5           HE1      LYS   5  10.674  17.319  13.665
   37    HZ1  LYS   5           HZ1      LYS   5   9.724  19.009  12.566
   38    HZ2  LYS   5           HZ2      LYS   5   9.943  17.916  11.394
   39    HZ3  LYS   5           HZ3      LYS   5  10.890  19.259  11.454
   40    H    DTH   6           H        DTH   6  17.065  18.735  16.457
   41    HA   DTH   6           HA       DTH   6  17.313  21.118  18.127
   42    HB   DTH   6           HB       DTH   6  19.623  21.373  17.752
   43   HG21  DTH   6          1HG2      DTH   6  20.155  19.244  16.803
   44   HG22  DTH   6          2HG2      DTH   6  20.754  20.647  15.874
   45   HG23  DTH   6          3HG2      DTH   6  19.359  19.811  15.202
   46    HG1  DTH   6           HG1      DTH   6  18.274  21.948  15.416
   47    H    DAS   7           H        DAS   7  18.468  20.765  19.985
   48    HA   DAS   7           HA       DAS   7  18.991  19.791  21.717
   49    HB2  DAS   7           HB1      DAS   7  21.020  18.341  19.965
   50    HB3  DAS   7           HB2      DAS   7  21.277  18.770  21.599
  Start of MODEL    7
    1    H1   GLN   1           H1       GLN   1  20.091  16.500  21.103
    2    HA   GLN   1           HA       GLN   1  19.211  14.585  21.070
    3    HB2  GLN   1           HB2      GLN   1  17.662  15.967  23.174
    4    HB3  GLN   1           HB1      GLN   1  17.635  14.198  23.063
    5    HG2  GLN   1           HG2      GLN   1  19.248  14.833  24.794
    6    HG3  GLN   1           HG1      GLN   1  19.936  13.971  23.472
    7   HE21  GLN   1          1HE2      GLN   1  19.853  16.907  25.217
    8   HE22  GLN   1          2HE2      GLN   1  21.004  17.875  24.357
    9    H    ASP   2           H        ASP   2  17.705  16.341  19.223
   10    HA   ASP   2           HA       ASP   2  15.239  14.722  18.985
   11    HB2  ASP   2           HB2      ASP   2  14.905  17.043  20.195
   12    HB3  ASP   2           HB1      ASP   2  15.093  17.777  18.683
   13    HA   PRO   3           HA       PRO   3  17.521  14.579  15.445
   14    HB2  PRO   3           HB2      PRO   3  15.322  12.669  14.424
   15    HB3  PRO   3           HB1      PRO   3  17.106  12.643  14.013
   16    HG2  PRO   3           HG2      PRO   3  16.022  11.197  16.150
   17    HG3  PRO   3           HG1      PRO   3  17.525  12.081  16.472
   18    HD2  PRO   3           HD2      PRO   3  14.730  12.785  16.972
   19    HD3  PRO   3           HD1      PRO   3  16.101  13.048  18.067
   20    HA   DPR   4           HA       DPR   4  15.473  16.469  11.924
   21    HB2  DPR   4           HB1      DPR   4  17.877  18.257  11.885
   22    HB3  DPR   4           HB2      DPR   4  17.091  17.355  10.532
   23    HG2  DPR   4           HG1      DPR   4  19.437  16.507  11.582
   24    HG3  DPR   4           HG2      DPR   4  18.204  15.479  10.882
   25    HD2  DPR   4           HD1      DPR   4  18.738  16.102  13.862
   26    HD3  DPR   4           HD2      DPR   4  18.200  14.593  13.211
   27    H    LYS   5           H        LYS   5  15.755  17.541  15.026
   28    HA   LYS   5           HA       LYS   5  14.652  20.309  14.495
   29    HB2  LYS   5           HB2      LYS   5  13.959  18.473  16.689
   30    HB3  LYS   5           HB1      LYS   5  13.352  20.112  16.462
   31    HG2  LYS   5           HG2      LYS   5  12.489  17.884  14.766
   32    HG3  LYS   5           HG1      LYS   5  11.652  18.854  16.031
   33    HD2  LYS   5           HD2      LYS   5  11.371  20.739  14.537
   34    HD3  LYS   5           HD1      LYS   5  12.702  20.074  13.575
   35    HE2  LYS   5           HE2      LYS   5  11.181  18.269  12.829
   36    HE3  LYS   5           HE1      LYS   5   9.925  18.876  13.934
   37    HZ1  LYS   5           HZ1      LYS   5   9.755  20.864  12.482
   38    HZ2  LYS   5           HZ2      LYS   5   9.757  19.459  11.569
   39    HZ3  LYS   5           HZ3      LYS   5  11.056  20.423  11.675
   40    H    DTH   6           H        DTH   6  17.080  18.686  16.429
   41    HA   DTH   6           HA       DTH   6  17.553  21.186  17.982
   42    HB   DTH   6           HB       DTH   6  20.014  20.954  17.448
   43   HG21  DTH   6          1HG2      DTH   6  20.455  19.035  16.270
   44   HG22  DTH   6          2HG2      DTH   6  20.346  20.215  14.960
   45   HG23  DTH   6          3HG2      DTH   6  19.027  19.124  15.239
   46    HG1  DTH   6           HG1      DTH   6  18.781  21.687  15.125
   47    H    DAS   7           H        DAS   7  18.289  20.686  19.891
   48    HA   DAS   7           HA       DAS   7  19.110  19.736  21.636
   49    HB2  DAS   7           HB1      DAS   7  20.840  18.294  19.678
   50    HB3  DAS   7           HB2      DAS   7  21.122  18.362  21.408
  Start of MODEL    8
    1    H1   GLN   1           H1       GLN   1  19.946  16.256  20.709
    2    HA   GLN   1           HA       GLN   1  18.861  14.523  21.003
    3    HB2  GLN   1           HB2      GLN   1  17.783  16.103  23.336
    4    HB3  GLN   1           HB1      GLN   1  17.743  14.267  23.181
    5    HG2  GLN   1           HG2      GLN   1  20.294  15.880  23.187
    6    HG3  GLN   1           HG1      GLN   1  19.489  15.359  24.617
    7   HE21  GLN   1          1HE2      GLN   1  22.128  14.462  23.957
    8   HE22  GLN   1          2HE2      GLN   1  22.042  12.806  23.345
    9    H    ASP   2           H        ASP   2  17.377  16.270  19.273
   10    HA   ASP   2           HA       ASP   2  14.933  14.617  19.063
   11    HB2  ASP   2           HB2      ASP   2  14.294  16.664  20.357
   12    HB3  ASP   2           HB1      ASP   2  14.775  17.688  19.010
   13    HA   PRO   3           HA       PRO   3  18.034  15.039  15.700
   14    HB2  PRO   3           HB2      PRO   3  16.125  12.968  14.635
   15    HB3  PRO   3           HB1      PRO   3  17.931  13.134  14.383
   16    HG2  PRO   3           HG2      PRO   3  16.813  11.499  16.220
   17    HG3  PRO   3           HG1      PRO   3  18.318  12.531  16.434
   18    HD2  PRO   3           HD2      PRO   3  15.492  12.828  17.475
   19    HD3  PRO   3           HD1      PRO   3  17.081  13.337  18.292
   20    HA   DPR   4           HA       DPR   4  15.743  16.441  11.881
   21    HB2  DPR   4           HB1      DPR   4  17.819  18.590  12.088
   22    HB3  DPR   4           HB2      DPR   4  17.237  17.637  10.635
   23    HG2  DPR   4           HG1      DPR   4  19.593  17.167  11.992
   24    HG3  DPR   4           HG2      DPR   4  18.641  15.811  11.208
   25    HD2  DPR   4           HD1      DPR   4  19.041  16.720  13.982
   26    HD3  DPR   4           HD2      DPR   4  18.690  15.099  13.430
   27    H    LYS   5           H        LYS   5  15.738  17.621  14.862
   28    HA   LYS   5           HA       LYS   5  14.405  20.234  14.325
   29    HB2  LYS   5           HB2      LYS   5  13.827  18.165  16.384
   30    HB3  LYS   5           HB1      LYS   5  13.014  19.827  16.332
   31    HG2  LYS   5           HG2      LYS   5  12.009  19.079  14.199
   32    HG3  LYS   5           HG1      LYS   5  12.786  17.567  14.218
   33    HD2  LYS   5           HD2      LYS   5  11.468  17.007  16.254
   34    HD3  LYS   5           HD1      LYS   5  10.745  18.539  16.295
   35    HE2  LYS   5           HE2      LYS   5   9.273  16.821  15.420
   36    HE3  LYS   5           HE1      LYS   5   9.524  18.251  14.366
   37    HZ1  LYS   5           HZ1      LYS   5  10.742  16.934  12.862
   38    HZ2  LYS   5           HZ2      LYS   5   9.515  15.967  13.280
   39    HZ3  LYS   5           HZ3      LYS   5  11.021  15.823  13.997
   40    H    DTH   6           H        DTH   6  16.827  18.612  16.294
   41    HA   DTH   6           HA       DTH   6  17.162  20.712  18.257
   42    HB   DTH   6           HB       DTH   6  19.559  21.297  17.393
   43   HG21  DTH   6          1HG2      DTH   6  20.137  19.291  16.213
   44   HG22  DTH   6          2HG2      DTH   6  20.229  20.635  15.100
   45   HG23  DTH   6          3HG2      DTH   6  18.875  19.602  15.032
   46    HG1  DTH   6           HG1      DTH   6  17.500  21.924  15.734
   47    H    DAS   7           H        DAS   7  18.920  20.557  19.732
   48    HA   DAS   7           HA       DAS   7  19.916  19.388  21.331
   49    HB2  DAS   7           HB1      DAS   7  20.986  17.353  19.503
   50    HB3  DAS   7           HB2      DAS   7  21.563  18.075  21.016
  Start of MODEL    9
    1    H1   GLN   1           H1       GLN   1  19.890  16.558  21.088
    2    HA   GLN   1           HA       GLN   1  18.887  14.594  21.348
    3    HB2  GLN   1           HB2      GLN   1  17.146  16.117  23.326
    4    HB3  GLN   1           HB1      GLN   1  17.363  14.412  23.258
    5    HG2  GLN   1           HG2      GLN   1  19.629  16.295  23.972
    6    HG3  GLN   1           HG1      GLN   1  18.691  15.262  25.045
    7   HE21  GLN   1          1HE2      GLN   1  18.678  12.712  23.970
    8   HE22  GLN   1          2HE2      GLN   1  20.242  12.297  23.288
    9    H    ASP   2           H        ASP   2  17.597  16.184  19.253
   10    HA   ASP   2           HA       ASP   2  15.154  14.647  18.921
   11    HB2  ASP   2           HB2      ASP   2  14.837  16.980  20.214
   12    HB3  ASP   2           HB1      ASP   2  15.193  17.651  18.647
   13    HA   PRO   3           HA       PRO   3  17.911  14.905  15.254
   14    HB2  PRO   3           HB2      PRO   3  16.764  12.975  13.734
   15    HB3  PRO   3           HB1      PRO   3  18.053  12.809  14.910
   16    HG2  PRO   3           HG2      PRO   3  15.108  12.324  15.303
   17    HG3  PRO   3           HG1      PRO   3  16.369  11.303  15.849
   18    HD2  PRO   3           HD2      PRO   3  15.309  12.998  17.584
   19    HD3  PRO   3           HD1      PRO   3  17.130  13.015  17.495
   20    HA   DPR   4           HA       DPR   4  15.409  16.635  11.914
   21    HB2  DPR   4           HB1      DPR   4  17.390  18.875  12.179
   22    HB3  DPR   4           HB2      DPR   4  16.831  17.950  10.687
   23    HG2  DPR   4           HG1      DPR   4  19.302  17.805  12.022
   24    HG3  DPR   4           HG2      DPR   4  18.463  16.342  11.196
   25    HD2  DPR   4           HD1      DPR   4  18.621  17.049  14.099
   26    HD3  DPR   4           HD2      DPR   4  18.723  15.431  13.213
   27    H    LYS   5           H        LYS   5  15.751  17.619  15.012
   28    HA   LYS   5           HA       LYS   5  14.332  20.210  14.784
   29    HB2  LYS   5           HB2      LYS   5  13.976  17.673  16.409
   30    HB3  LYS   5           HB1      LYS   5  13.469  19.258  17.020
   31    HG2  LYS   5           HG2      LYS   5  12.023  19.613  15.151
   32    HG3  LYS   5           HG1      LYS   5  12.471  18.039  14.443
   33    HD2  LYS   5           HD2      LYS   5  10.395  17.605  15.474
   34    HD3  LYS   5           HD1      LYS   5  11.487  16.879  16.475
   35    HE2  LYS   5           HE2      LYS   5  11.565  18.864  17.983
   36    HE3  LYS   5           HE1      LYS   5  10.336  19.713  16.825
   37    HZ1  LYS   5           HZ1      LYS   5   8.930  17.865  17.418
   38    HZ2  LYS   5           HZ2      LYS   5   9.321  18.845  18.696
   39    HZ3  LYS   5           HZ3      LYS   5  10.043  17.460  18.629
   40    H    DTH   6           H        DTH   6  17.001  18.510  16.264
   41    HA   DTH   6           HA       DTH   6  17.803  20.919  17.721
   42    HB   DTH   6           HB       DTH   6  20.156  20.474  16.929
   43   HG21  DTH   6          1HG2      DTH   6  18.838  19.124  14.517
   44   HG22  DTH   6          2HG2      DTH   6  19.708  18.155  15.686
   45   HG23  DTH   6          3HG2      DTH   6  20.461  19.504  14.794
   46    HG1  DTH   6           HG1      DTH   6  19.742  21.686  14.979
   47    H    DAS   7           H        DAS   7  18.951  20.640  19.471
   48    HA   DAS   7           HA       DAS   7  19.200  19.726  21.554
   49    HB2  DAS   7           HB1      DAS   7  21.060  17.812  19.995
   50    HB3  DAS   7           HB2      DAS   7  21.199  18.333  21.598
  Start of MODEL   10
    1    H1   GLN   1           H1       GLN   1  19.841  16.537  20.732
    2    HA   GLN   1           HA       GLN   1  19.156  14.467  21.356
    3    HB2  GLN   1           HB2      GLN   1  17.091  15.789  23.168
    4    HB3  GLN   1           HB1      GLN   1  17.409  14.205  23.100
    5    HG2  GLN   1           HG2      GLN   1  19.529  16.196  23.921
    6    HG3  GLN   1           HG1      GLN   1  18.441  15.356  24.964
    7   HE21  GLN   1          1HE2      GLN   1  20.982  14.825  25.538
    8   HE22  GLN   1          2HE2      GLN   1  21.284  13.134  25.198
    9    H    ASP   2           H        ASP   2  17.529  16.610  19.466
   10    HA   ASP   2           HA       ASP   2  15.227  14.758  18.987
   11    HB2  ASP   2           HB2      ASP   2  14.710  16.839  20.235
   12    HB3  ASP   2           HB1      ASP   2  15.410  17.757  18.955
   13    HA   PRO   3           HA       PRO   3  17.774  14.677  15.109
   14    HB2  PRO   3           HB2      PRO   3  15.450  12.811  14.404
   15    HB3  PRO   3           HB1      PRO   3  17.220  12.673  14.042
   16    HG2  PRO   3           HG2      PRO   3  16.080  11.247  16.022
   17    HG3  PRO   3           HG1      PRO   3  17.691  11.997  16.246
   18    HD2  PRO   3           HD2      PRO   3  15.002  13.029  17.227
   19    HD3  PRO   3           HD1      PRO   3  16.591  13.041  18.056
   20    HA   DPR   4           HA       DPR   4  15.043  16.464  12.135
   21    HB2  DPR   4           HB1      DPR   4  16.849  18.096  10.753
   22    HB3  DPR   4           HB2      DPR   4  17.144  16.382  10.705
   23    HG2  DPR   4           HG1      DPR   4  18.396  18.322  12.754
   24    HG3  DPR   4           HG2      DPR   4  19.214  17.203  11.649
   25    HD2  DPR   4           HD1      DPR   4  18.579  16.701  14.215
   26    HD3  DPR   4           HD2      DPR   4  18.541  15.407  12.989
   27    H    LYS   5           H        LYS   5  15.777  17.704  14.973
   28    HA   LYS   5           HA       LYS   5  14.669  20.435  14.351
   29    HB2  LYS   5           HB2      LYS   5  13.959  18.111  16.024
   30    HB3  LYS   5           HB1      LYS   5  13.667  19.772  16.713
   31    HG2  LYS   5           HG2      LYS   5  12.174  20.146  14.843
   32    HG3  LYS   5           HG1      LYS   5  12.556  18.576  14.122
   33    HD2  LYS   5           HD2      LYS   5  10.528  18.294  15.062
   34    HD3  LYS   5           HD1      LYS   5  11.500  17.697  16.438
   35    HE2  LYS   5           HE2      LYS   5  11.415  19.732  17.613
   36    HE3  LYS   5           HE1      LYS   5  10.488  20.486  16.205
   37    HZ1  LYS   5           HZ1      LYS   5   8.976  19.948  17.962
   38    HZ2  LYS   5           HZ2      LYS   5   9.297  18.394  17.845
   39    HZ3  LYS   5           HZ3      LYS   5   8.689  19.149  16.579
   40    H    DTH   6           H        DTH   6  16.924  18.671  16.528
   41    HA   DTH   6           HA       DTH   6  17.700  21.084  17.957
   42    HB   DTH   6           HB       DTH   6  20.083  20.879  17.269
   43   HG21  DTH   6          1HG2      DTH   6  20.465  18.779  16.474
   44   HG22  DTH   6          2HG2      DTH   6  20.436  19.765  15.017
   45   HG23  DTH   6          3HG2      DTH   6  19.081  18.705  15.412
   46    HG1  DTH   6           HG1      DTH   6  19.453  22.226  15.945
   47    H    DAS   7           H        DAS   7  18.356  20.652  19.872
   48    HA   DAS   7           HA       DAS   7  19.023  19.658  21.779
   49    HB2  DAS   7           HB1      DAS   7  20.894  18.167  19.945
   50    HB3  DAS   7           HB2      DAS   7  21.043  18.367  21.700
  Start of MODEL   11
    1    H1   GLN   1           H1       GLN   1  19.827  16.509  20.659
    2    HA   GLN   1           HA       GLN   1  19.147  14.629  20.816
    3    HB2  GLN   1           HB2      GLN   1  17.688  15.467  23.331
    4    HB3  GLN   1           HB1      GLN   1  17.987  13.798  22.885
    5    HG2  GLN   1           HG2      GLN   1  20.007  15.912  23.378
    6    HG3  GLN   1           HG1      GLN   1  19.571  14.785  24.582
    7   HE21  GLN   1          1HE2      GLN   1  22.131  15.312  23.080
    8   HE22  GLN   1          2HE2      GLN   1  22.733  13.748  22.462
    9    H    ASP   2           H        ASP   2  17.478  16.549  19.291
   10    HA   ASP   2           HA       ASP   2  14.913  14.941  19.004
   11    HB2  ASP   2           HB2      ASP   2  14.616  16.939  20.197
   12    HB3  ASP   2           HB1      ASP   2  15.230  17.920  18.960
   13    HA   PRO   3           HA       PRO   3  17.908  15.173  15.626
   14    HB2  PRO   3           HB2      PRO   3  16.451  12.801  14.431
   15    HB3  PRO   3           HB1      PRO   3  18.203  13.163  14.496
   16    HG2  PRO   3           HG2      PRO   3  16.683  11.487  16.208
   17    HG3  PRO   3           HG1      PRO   3  18.116  12.375  16.855
   18    HD2  PRO   3           HD2      PRO   3  15.231  12.935  17.204
   19    HD3  PRO   3           HD1      PRO   3  16.629  13.269  18.296
   20    HA   DPR   4           HA       DPR   4  15.283  16.369  12.053
   21    HB2  DPR   4           HB1      DPR   4  16.851  18.148  10.927
   22    HB3  DPR   4           HB2      DPR   4  17.141  16.334  10.850
   23    HG2  DPR   4           HG1      DPR   4  18.428  18.360  12.753
   24    HG3  DPR   4           HG2      DPR   4  19.327  17.174  11.685
   25    HD2  DPR   4           HD1      DPR   4  18.565  16.610  14.319
   26    HD3  DPR   4           HD2      DPR   4  18.586  15.353  12.954
   27    H    LYS   5           H        LYS   5  15.544  17.602  14.826
   28    HA   LYS   5           HA       LYS   5  14.669  20.421  14.449
   29    HB2  LYS   5           HB2      LYS   5  13.641  18.292  16.225
   30    HB3  LYS   5           HB1      LYS   5  13.240  19.931  16.610
   31    HG2  LYS   5           HG2      LYS   5  11.977  20.250  14.598
   32    HG3  LYS   5           HG1      LYS   5  12.596  18.833  13.827
   33    HD2  LYS   5           HD2      LYS   5  10.367  18.337  14.616
   34    HD3  LYS   5           HD1      LYS   5  11.457  17.420  15.663
   35    HE2  LYS   5           HE2      LYS   5  11.129  19.917  17.006
   36    HE3  LYS   5           HE1      LYS   5   9.641  19.669  16.217
   37    HZ1  LYS   5           HZ1      LYS   5   9.693  17.387  17.197
   38    HZ2  LYS   5           HZ2      LYS   5   9.594  18.633  18.313
   39    HZ3  LYS   5           HZ3      LYS   5  11.029  17.838  18.035
   40    H    DTH   6           H        DTH   6  16.818  18.425  16.390
   41    HA   DTH   6           HA       DTH   6  17.725  20.935  17.742
   42    HB   DTH   6           HB       DTH   6  20.020  20.462  17.441
   43   HG21  DTH   6          1HG2      DTH   6  19.292  18.964  14.910
   44   HG22  DTH   6          2HG2      DTH   6  19.852  18.170  16.450
   45   HG23  DTH   6          3HG2      DTH   6  20.852  19.370  15.562
   46    HG1  DTH   6           HG1      DTH   6  19.033  22.105  16.135
   47    H    DAS   7           H        DAS   7  18.349  20.607  19.816
   48    HA   DAS   7           HA       DAS   7  19.195  19.705  21.645
   49    HB2  DAS   7           HB1      DAS   7  20.875  18.181  19.660
   50    HB3  DAS   7           HB2      DAS   7  21.158  18.370  21.396
  Start of MODEL   12
    1    H1   GLN   1           H1       GLN   1  19.834  16.522  20.471
    2    HA   GLN   1           HA       GLN   1  19.072  14.532  21.075
    3    HB2  GLN   1           HB2      GLN   1  17.693  15.892  23.360
    4    HB3  GLN   1           HB1      GLN   1  18.137  14.229  23.336
    5    HG2  GLN   1           HG2      GLN   1  20.116  16.553  23.140
    6    HG3  GLN   1           HG1      GLN   1  19.682  15.845  24.649
    7   HE21  GLN   1          1HE2      GLN   1  22.364  16.228  23.501
    8   HE22  GLN   1          2HE2      GLN   1  22.881  14.541  23.255
    9    H    ASP   2           H        ASP   2  17.525  16.154  19.304
   10    HA   ASP   2           HA       ASP   2  15.056  14.726  19.017
   11    HB2  ASP   2           HB2      ASP   2  14.735  16.810  20.376
   12    HB3  ASP   2           HB1      ASP   2  15.468  17.737  19.095
   13    HA   PRO   3           HA       PRO   3  17.855  15.298  15.426
   14    HB2  PRO   3           HB2      PRO   3  16.337  12.851  14.509
   15    HB3  PRO   3           HB1      PRO   3  18.022  13.174  14.299
   16    HG2  PRO   3           HG2      PRO   3  17.126  11.459  16.204
   17    HG3  PRO   3           HG1      PRO   3  18.412  12.639  16.713
   18    HD2  PRO   3           HD2      PRO   3  15.455  12.904  17.144
   19    HD3  PRO   3           HD1      PRO   3  16.749  13.320  18.329
   20    HA   DPR   4           HA       DPR   4  15.172  16.476  11.856
   21    HB2  DPR   4           HB1      DPR   4  17.570  18.221  11.971
   22    HB3  DPR   4           HB2      DPR   4  16.769  17.685  10.444
   23    HG2  DPR   4           HG1      DPR   4  18.934  16.354  11.035
   24    HG3  DPR   4           HG2      DPR   4  17.542  15.309  10.740
   25    HD2  DPR   4           HD1      DPR   4  18.546  16.511  13.341
   26    HD3  DPR   4           HD2      DPR   4  18.251  14.763  13.006
   27    H    LYS   5           H        LYS   5  15.795  17.655  14.937
   28    HA   LYS   5           HA       LYS   5  14.736  20.380  14.279
   29    HB2  LYS   5           HB2      LYS   5  13.865  18.788  16.615
   30    HB3  LYS   5           HB1      LYS   5  13.050  20.167  15.764
   31    HG2  LYS   5           HG2      LYS   5  12.884  18.388  13.809
   32    HG3  LYS   5           HG1      LYS   5  12.904  17.268  15.120
   33    HD2  LYS   5           HD2      LYS   5  11.022  19.517  14.690
   34    HD3  LYS   5           HD1      LYS   5  10.696  17.729  14.662
   35    HE2  LYS   5           HE2      LYS   5  11.246  19.294  17.232
   36    HE3  LYS   5           HE1      LYS   5   9.715  19.064  16.419
   37    HZ1  LYS   5           HZ1      LYS   5  10.012  16.712  16.537
   38    HZ2  LYS   5           HZ2      LYS   5   9.776  17.312  17.956
   39    HZ3  LYS   5           HZ3      LYS   5  11.374  16.925  17.519
   40    H    DTH   6           H        DTH   6  16.798  18.457  16.611
   41    HA   DTH   6           HA       DTH   6  17.458  20.880  18.033
   42    HB   DTH   6           HB       DTH   6  19.873  20.395  17.376
   43   HG21  DTH   6          1HG2      DTH   6  19.414  18.248  15.780
   44   HG22  DTH   6          2HG2      DTH   6  20.449  19.597  15.306
   45   HG23  DTH   6          3HG2      DTH   6  18.721  19.362  14.741
   46    HG1  DTH   6           HG1      DTH   6  19.677  21.715  15.620
   47    H    DAS   7           H        DAS   7  19.005  20.623  19.724
   48    HA   DAS   7           HA       DAS   7  19.331  19.650  21.665
   49    HB2  DAS   7           HB1      DAS   7  20.943  17.827  19.855
   50    HB3  DAS   7           HB2      DAS   7  21.132  18.078  21.650
  Start of MODEL   13
    1    H1   GLN   1           H1       GLN   1  20.060  16.321  20.724
    2    HA   GLN   1           HA       GLN   1  19.104  14.372  21.242
    3    HB2  GLN   1           HB2      GLN   1  17.320  15.901  23.165
    4    HB3  GLN   1           HB1      GLN   1  17.798  14.210  23.143
    5    HG2  GLN   1           HG2      GLN   1  19.942  16.249  23.659
    6    HG3  GLN   1           HG1      GLN   1  18.895  15.284  24.820
    7   HE21  GLN   1          1HE2      GLN   1  19.499  13.276  25.516
    8   HE22  GLN   1          2HE2      GLN   1  20.607  12.254  24.695
    9    H    ASP   2           H        ASP   2  17.503  16.389  19.388
   10    HA   ASP   2           HA       ASP   2  15.105  14.690  19.078
   11    HB2  ASP   2           HB2      ASP   2  14.566  16.421  20.582
   12    HB3  ASP   2           HB1      ASP   2  15.277  17.673  19.521
   13    HA   PRO   3           HA       PRO   3  17.729  14.769  15.581
   14    HB2  PRO   3           HB2      PRO   3  15.544  12.841  14.632
   15    HB3  PRO   3           HB1      PRO   3  17.255  12.782  14.166
   16    HG2  PRO   3           HG2      PRO   3  16.520  11.256  16.113
   17    HG3  PRO   3           HG1      PRO   3  17.920  12.242  16.365
   18    HD2  PRO   3           HD2      PRO   3  14.997  12.748  17.193
   19    HD3  PRO   3           HD1      PRO   3  16.544  13.082  18.132
   20    HA   DPR   4           HA       DPR   4  15.794  16.577  12.023
   21    HB2  DPR   4           HB1      DPR   4  18.113  18.440  12.067
   22    HB3  DPR   4           HB2      DPR   4  17.377  17.482  10.756
   23    HG2  DPR   4           HG1      DPR   4  19.694  16.614  11.728
   24    HG3  DPR   4           HG2      DPR   4  18.365  15.460  11.445
   25    HD2  DPR   4           HD1      DPR   4  18.878  16.732  14.103
   26    HD3  DPR   4           HD2      DPR   4  18.472  14.985  13.682
   27    H    LYS   5           H        LYS   5  15.374  17.605  14.799
   28    HA   LYS   5           HA       LYS   5  14.706  20.499  14.318
   29    HB2  LYS   5           HB2      LYS   5  13.376  18.296  16.071
   30    HB3  LYS   5           HB1      LYS   5  12.960  20.048  15.973
   31    HG2  LYS   5           HG2      LYS   5  12.585  19.741  13.536
   32    HG3  LYS   5           HG1      LYS   5  12.784  18.086  13.719
   33    HD2  LYS   5           HD2      LYS   5  10.588  19.829  15.034
   34    HD3  LYS   5           HD1      LYS   5  10.392  18.597  13.860
   35    HE2  LYS   5           HE2      LYS   5  11.237  16.886  15.645
   36    HE3  LYS   5           HE1      LYS   5  11.160  18.260  16.781
   37    HZ1  LYS   5           HZ1      LYS   5   8.999  17.002  15.198
   38    HZ2  LYS   5           HZ2      LYS   5   8.809  18.303  16.351
   39    HZ3  LYS   5           HZ3      LYS   5   9.189  16.897  16.774
   40    H    DTH   6           H        DTH   6  16.716  18.563  16.227
   41    HA   DTH   6           HA       DTH   6  17.390  20.901  17.940
   42    HB   DTH   6           HB       DTH   6  19.747  20.807  17.154
   43   HG21  DTH   6          1HG2      DTH   6  19.644  18.553  16.004
   44   HG22  DTH   6          2HG2      DTH   6  20.308  19.930  15.100
   45   HG23  DTH   6          3HG2      DTH   6  18.728  19.363  14.646
   46    HG1  DTH   6           HG1      DTH   6  18.340  22.351  16.536
   47    H    DAS   7           H        DAS   7  18.521  20.566  19.675
   48    HA   DAS   7           HA       DAS   7  19.501  19.593  21.437
   49    HB2  DAS   7           HB1      DAS   7  20.790  17.749  19.535
   50    HB3  DAS   7           HB2      DAS   7  21.511  18.259  21.041
  Start of MODEL   14
    1    H1   GLN   1           H1       GLN   1  19.930  16.389  20.560
    2    HA   GLN   1           HA       GLN   1  19.053  14.486  21.088
    3    HB2  GLN   1           HB2      GLN   1  17.622  15.920  23.314
    4    HB3  GLN   1           HB1      GLN   1  17.857  14.157  23.011
    5    HG2  GLN   1           HG2      GLN   1  20.159  16.219  23.344
    6    HG3  GLN   1           HG1      GLN   1  19.474  15.485  24.648
    7   HE21  GLN   1          1HE2      GLN   1  19.897  12.977  24.857
    8   HE22  GLN   1          2HE2      GLN   1  21.211  12.323  23.936
    9    H    ASP   2           H        ASP   2  17.607  16.143  19.161
   10    HA   ASP   2           HA       ASP   2  15.060  14.685  19.098
   11    HB2  ASP   2           HB2      ASP   2  14.758  16.870  20.373
   12    HB3  ASP   2           HB1      ASP   2  15.259  17.703  18.912
   13    HA   PRO   3           HA       PRO   3  17.749  14.755  15.651
   14    HB2  PRO   3           HB2      PRO   3  15.695  12.922  14.416
   15    HB3  PRO   3           HB1      PRO   3  17.438  12.792  14.244
   16    HG2  PRO   3           HG2      PRO   3  15.963  11.388  16.076
   17    HG3  PRO   3           HG1      PRO   3  17.577  11.972  16.559
   18    HD2  PRO   3           HD2      PRO   3  15.033  13.017  17.636
   19    HD3  PRO   3           HD1      PRO   3  16.697  13.214  18.226
   20    HA   DPR   4           HA       DPR   4  15.918  16.480  11.845
   21    HB2  DPR   4           HB1      DPR   4  17.644  18.849  12.537
   22    HB3  DPR   4           HB2      DPR   4  17.472  18.159  10.998
   23    HG2  DPR   4           HG1      DPR   4  19.593  17.792  12.917
   24    HG3  DPR   4           HG2      DPR   4  19.344  16.539  11.709
   25    HD2  DPR   4           HD1      DPR   4  18.776  16.391  14.517
   26    HD3  DPR   4           HD2      DPR   4  18.708  15.154  13.235
   27    H    LYS   5           H        LYS   5  15.953  17.785  15.059
   28    HA   LYS   5           HA       LYS   5  14.707  20.375  14.419
   29    HB2  LYS   5           HB2      LYS   5  13.805  18.376  16.585
   30    HB3  LYS   5           HB1      LYS   5  13.222  19.939  16.526
   31    HG2  LYS   5           HG2      LYS   5  12.777  17.711  14.464
   32    HG3  LYS   5           HG1      LYS   5  11.620  18.316  15.729
   33    HD2  LYS   5           HD2      LYS   5  11.539  20.427  14.772
   34    HD3  LYS   5           HD1      LYS   5  12.639  19.936  13.360
   35    HE2  LYS   5           HE2      LYS   5  10.964  18.317  12.681
   36    HE3  LYS   5           HE1      LYS   5   9.897  18.800  13.942
   37    HZ1  LYS   5           HZ1      LYS   5   9.377  19.749  11.782
   38    HZ2  LYS   5           HZ2      LYS   5  10.754  20.683  11.841
   39    HZ3  LYS   5           HZ3      LYS   5   9.499  20.864  12.886
   40    H    DTH   6           H        DTH   6  17.003  18.511  16.387
   41    HA   DTH   6           HA       DTH   6  17.486  20.982  17.976
   42    HB   DTH   6           HB       DTH   6  19.604  21.086  17.381
   43   HG21  DTH   6          1HG2      DTH   6  19.915  18.820  16.101
   44   HG22  DTH   6          2HG2      DTH   6  20.638  20.213  15.306
   45   HG23  DTH   6          3HG2      DTH   6  19.065  19.642  14.783
   46    HG1  DTH   6           HG1      DTH   6  17.921  21.589  15.122
   47    H    DAS   7           H        DAS   7  18.711  20.676  19.657
   48    HA   DAS   7           HA       DAS   7  19.134  19.567  21.468
   49    HB2  DAS   7           HB1      DAS   7  21.175  17.943  19.928
   50    HB3  DAS   7           HB2      DAS   7  21.026  18.055  21.648
  Start of MODEL   15
    1    H1   GLN   1           H1       GLN   1  19.830  16.909  19.977
    2    HA   GLN   1           HA       GLN   1  19.370  14.743  20.162
    3    HB2  GLN   1           HB2      GLN   1  18.325  15.211  22.909
    4    HB3  GLN   1           HB1      GLN   1  18.792  13.661  22.193
    5    HG2  GLN   1           HG2      GLN   1  20.608  16.041  22.687
    6    HG3  GLN   1           HG1      GLN   1  20.647  14.605  23.719
    7   HE21  GLN   1          1HE2      GLN   1  22.913  15.797  22.190
    8   HE22  GLN   1          2HE2      GLN   1  23.313  14.652  20.961
    9    H    ASP   2           H        ASP   2  17.315  16.697  19.248
   10    HA   ASP   2           HA       ASP   2  15.044  14.722  19.145
   11    HB2  ASP   2           HB2      ASP   2  14.384  16.746  20.337
   12    HB3  ASP   2           HB1      ASP   2  14.987  17.747  19.024
   13    HA   PRO   3           HA       PRO   3  17.370  14.487  15.756
   14    HB2  PRO   3           HB2      PRO   3  15.347  12.759  14.272
   15    HB3  PRO   3           HB1      PRO   3  17.049  12.448  14.447
   16    HG2  PRO   3           HG2      PRO   3  15.227  11.286  16.184
   17    HG3  PRO   3           HG1      PRO   3  16.766  11.798  16.788
   18    HD2  PRO   3           HD2      PRO   3  14.087  13.241  16.976
   19    HD3  PRO   3           HD1      PRO   3  15.507  13.111  18.178
   20    HA   DPR   4           HA       DPR   4  15.916  16.305  12.017
   21    HB2  DPR   4           HB1      DPR   4  17.697  18.257  11.492
   22    HB3  DPR   4           HB2      DPR   4  17.750  16.609  11.039
   23    HG2  DPR   4           HG1      DPR   4  19.171  17.840  13.339
   24    HG3  DPR   4           HG2      DPR   4  19.765  16.590  12.203
   25    HD2  DPR   4           HD1      DPR   4  18.757  16.002  14.758
   26    HD3  DPR   4           HD2      DPR   4  18.528  14.863  13.439
   27    H    LYS   5           H        LYS   5  16.221  17.779  15.061
   28    HA   LYS   5           HA       LYS   5  14.796  20.216  14.231
   29    HB2  LYS   5           HB2      LYS   5  13.831  18.221  16.262
   30    HB3  LYS   5           HB1      LYS   5  13.216  19.896  16.201
   31    HG2  LYS   5           HG2      LYS   5  12.549  19.480  13.887
   32    HG3  LYS   5           HG1      LYS   5  13.171  17.849  13.967
   33    HD2  LYS   5           HD2      LYS   5  11.689  17.414  15.950
   34    HD3  LYS   5           HD1      LYS   5  10.963  18.943  15.790
   35    HE2  LYS   5           HE2      LYS   5   9.715  17.110  14.795
   36    HE3  LYS   5           HE1      LYS   5  10.030  18.474  13.579
   37    HZ1  LYS   5           HZ1      LYS   5  11.379  17.012  12.397
   38    HZ2  LYS   5           HZ2      LYS   5  10.308  15.983  12.946
   39    HZ3  LYS   5           HZ3      LYS   5  11.728  16.060  13.693
   40    H    DTH   6           H        DTH   6  16.892  18.711  16.424
   41    HA   DTH   6           HA       DTH   6  17.380  21.057  18.114
   42    HB   DTH   6           HB       DTH   6  19.711  21.208  17.447
   43   HG21  DTH   6          1HG2      DTH   6  19.220  19.056  15.290
   44   HG22  DTH   6          2HG2      DTH   6  20.533  19.251  16.506
   45   HG23  DTH   6          3HG2      DTH   6  20.386  20.399  15.175
   46    HG1  DTH   6           HG1      DTH   6  17.915  22.283  16.410
   47    H    DAS   7           H        DAS   7  18.301  20.702  19.932
   48    HA   DAS   7           HA       DAS   7  18.686  19.569  21.856
   49    HB2  DAS   7           HB1      DAS   7  21.120  18.466  20.499
   50    HB3  DAS   7           HB2      DAS   7  20.792  19.038  22.114
  Start of MODEL   16
    1    H1   GLN   1           H1       GLN   1  20.145  16.495  20.680
    2    HA   GLN   1           HA       GLN   1  19.036  14.523  20.576
    3    HB2  GLN   1           HB2      GLN   1  18.353  15.703  23.315
    4    HB3  GLN   1           HB1      GLN   1  18.290  14.000  22.847
    5    HG2  GLN   1           HG2      GLN   1  20.604  14.002  22.504
    6    HG3  GLN   1           HG1      GLN   1  20.796  15.774  22.601
    7   HE21  GLN   1          1HE2      GLN   1  22.593  14.810  24.344
    8   HE22  GLN   1          2HE2      GLN   1  21.816  14.377  25.874
    9    H    ASP   2           H        ASP   2  17.599  16.145  18.985
   10    HA   ASP   2           HA       ASP   2  14.961  14.907  19.136
   11    HB2  ASP   2           HB2      ASP   2  14.704  17.144  20.254
   12    HB3  ASP   2           HB1      ASP   2  15.201  17.864  18.882
   13    HA   PRO   3           HA       PRO   3  17.523  14.393  15.458
   14    HB2  PRO   3           HB2      PRO   3  14.956  12.925  14.736
   15    HB3  PRO   3           HB1      PRO   3  16.700  12.509  14.258
   16    HG2  PRO   3           HG2      PRO   3  15.676  11.337  16.482
   17    HG3  PRO   3           HG1      PRO   3  17.293  12.080  16.502
   18    HD2  PRO   3           HD2      PRO   3  14.583  13.067  17.382
   19    HD3  PRO   3           HD1      PRO   3  16.077  13.192  18.314
   20    HA   DPR   4           HA       DPR   4  15.937  16.405  11.842
   21    HB2  DPR   4           HB1      DPR   4  18.075  18.378  12.357
   22    HB3  DPR   4           HB2      DPR   4  17.768  17.534  10.773
   23    HG2  DPR   4           HG1      DPR   4  19.810  16.706  12.102
   24    HG3  DPR   4           HG2      DPR   4  18.615  15.569  11.394
   25    HD2  DPR   4           HD1      DPR   4  18.845  16.339  14.314
   26    HD3  DPR   4           HD2      DPR   4  18.551  14.808  13.642
   27    H    LYS   5           H        LYS   5  15.715  17.567  14.964
   28    HA   LYS   5           HA       LYS   5  14.716  20.241  14.387
   29    HB2  LYS   5           HB2      LYS   5  13.520  18.154  16.182
   30    HB3  LYS   5           HB1      LYS   5  12.950  19.829  16.079
   31    HG2  LYS   5           HG2      LYS   5  12.712  19.664  13.630
   32    HG3  LYS   5           HG1      LYS   5  13.048  17.862  13.804
   33    HD2  LYS   5           HD2      LYS   5  10.801  19.303  15.243
   34    HD3  LYS   5           HD1      LYS   5  10.650  18.648  13.616
   35    HE2  LYS   5           HE2      LYS   5  11.520  16.413  14.530
   36    HE3  LYS   5           HE1      LYS   5  11.409  17.203  16.114
   37    HZ1  LYS   5           HZ1      LYS   5   9.194  17.593  15.902
   38    HZ2  LYS   5           HZ2      LYS   5   9.415  15.992  15.790
   39    HZ3  LYS   5           HZ3      LYS   5   9.111  16.858  14.407
   40    H    DTH   6           H        DTH   6  16.885  18.603  16.511
   41    HA   DTH   6           HA       DTH   6  17.215  20.935  18.189
   42    HB   DTH   6           HB       DTH   6  19.175  21.616  17.810
   43   HG21  DTH   6          1HG2      DTH   6  20.616  19.723  16.823
   44   HG22  DTH   6          2HG2      DTH   6  20.658  21.055  15.792
   45   HG23  DTH   6          3HG2      DTH   6  19.548  19.764  15.387
   46    HG1  DTH   6           HG1      DTH   6  18.994  22.788  15.980
   47    H    DAS   7           H        DAS   7  18.559  20.664  19.826
   48    HA   DAS   7           HA       DAS   7  19.387  19.651  21.713
   49    HB2  DAS   7           HB1      DAS   7  20.922  18.180  19.616
   50    HB3  DAS   7           HB2      DAS   7  21.468  18.464  21.247
  Start of MODEL   17
    1    H1   GLN   1           H1       GLN   1  19.899  16.734  21.073
    2    HA   GLN   1           HA       GLN   1  18.932  14.626  21.072
    3    HB2  GLN   1           HB2      GLN   1  17.243  15.821  23.313
    4    HB3  GLN   1           HB1      GLN   1  17.919  14.224  23.276
    5    HG2  GLN   1           HG2      GLN   1  19.421  16.827  23.753
    6    HG3  GLN   1           HG1      GLN   1  18.984  15.623  24.939
    7   HE21  GLN   1          1HE2      GLN   1  21.431  15.490  25.471
    8   HE22  GLN   1          2HE2      GLN   1  22.240  14.319  24.415
    9    H    ASP   2           H        ASP   2  17.638  16.399  19.150
   10    HA   ASP   2           HA       ASP   2  15.322  14.489  18.956
   11    HB2  ASP   2           HB2      ASP   2  14.594  16.402  20.169
   12    HB3  ASP   2           HB1      ASP   2  15.083  17.483  18.884
   13    HA   PRO   3           HA       PRO   3  17.636  14.426  15.111
   14    HB2  PRO   3           HB2      PRO   3  15.212  12.739  14.442
   15    HB3  PRO   3           HB1      PRO   3  16.904  12.523  13.958
   16    HG2  PRO   3           HG2      PRO   3  16.012  11.128  16.036
   17    HG3  PRO   3           HG1      PRO   3  17.627  11.861  16.112
   18    HD2  PRO   3           HD2      PRO   3  15.116  12.859  17.510
   19    HD3  PRO   3           HD1      PRO   3  16.802  12.999  17.941
   20    HA   DPR   4           HA       DPR   4  15.327  16.633  12.089
   21    HB2  DPR   4           HB1      DPR   4  17.067  18.214  10.922
   22    HB3  DPR   4           HB2      DPR   4  17.115  16.534  10.824
   23    HG2  DPR   4           HG1      DPR   4  18.695  18.288  12.805
   24    HG3  DPR   4           HG2      DPR   4  19.303  16.939  11.794
   25    HD2  DPR   4           HD1      DPR   4  18.554  16.585  14.557
   26    HD3  DPR   4           HD2      DPR   4  18.482  15.352  13.346
   27    H    LYS   5           H        LYS   5  15.311  17.500  14.921
   28    HA   LYS   5           HA       LYS   5  14.494  20.276  14.514
   29    HB2  LYS   5           HB2      LYS   5  13.951  18.742  17.035
   30    HB3  LYS   5           HB1      LYS   5  13.267  20.244  16.437
   31    HG2  LYS   5           HG2      LYS   5  12.267  18.885  14.535
   32    HG3  LYS   5           HG1      LYS   5  12.889  17.519  15.520
   33    HD2  LYS   5           HD2      LYS   5  11.535  18.687  17.408
   34    HD3  LYS   5           HD1      LYS   5  10.572  19.376  16.143
   35    HE2  LYS   5           HE2      LYS   5   9.382  17.672  16.033
   36    HE3  LYS   5           HE1      LYS   5  10.702  16.641  15.475
   37    HZ1  LYS   5           HZ1      LYS   5  11.108  16.405  18.080
   38    HZ2  LYS   5           HZ2      LYS   5   9.916  15.627  17.441
   39    HZ3  LYS   5           HZ3      LYS   5   9.640  17.024  18.259
   40    H    DTH   6           H        DTH   6  16.821  18.595  16.511
   41    HA   DTH   6           HA       DTH   6  17.917  21.023  17.726
   42    HB   DTH   6           HB       DTH   6  19.040  20.946  15.586
   43   HG21  DTH   6          1HG2      DTH   6  21.019  19.627  17.495
   44   HG22  DTH   6          2HG2      DTH   6  20.482  21.230  17.665
   45   HG23  DTH   6          3HG2      DTH   6  21.382  20.837  16.214
   46    HG1  DTH   6           HG1      DTH   6  20.227  18.903  15.035
   47    H    DAS   7           H        DAS   7  18.681  20.785  19.605
   48    HA   DAS   7           HA       DAS   7  19.047  19.860  21.705
   49    HB2  DAS   7           HB1      DAS   7  20.792  18.065  20.110
   50    HB3  DAS   7           HB2      DAS   7  20.950  18.281  21.804
  Start of MODEL   18
    1    H1   GLN   1           H1       GLN   1  20.016  16.796  20.413
    2    HA   GLN   1           HA       GLN   1  19.456  14.717  20.525
    3    HB2  GLN   1           HB2      GLN   1  18.142  15.277  23.165
    4    HB3  GLN   1           HB1      GLN   1  18.527  13.706  22.580
    5    HG2  GLN   1           HG2      GLN   1  20.935  14.118  22.361
    6    HG3  GLN   1           HG1      GLN   1  20.630  15.598  23.269
    7   HE21  GLN   1          1HE2      GLN   1  22.304  14.131  24.881
    8   HE22  GLN   1          2HE2      GLN   1  21.424  13.013  25.861
    9    H    ASP   2           H        ASP   2  17.837  16.221  18.943
   10    HA   ASP   2           HA       ASP   2  15.255  14.880  19.108
   11    HB2  ASP   2           HB2      ASP   2  14.985  17.189  20.079
   12    HB3  ASP   2           HB1      ASP   2  15.692  17.845  18.573
   13    HA   PRO   3           HA       PRO   3  17.209  13.993  15.412
   14    HB2  PRO   3           HB2      PRO   3  14.610  12.911  14.392
   15    HB3  PRO   3           HB1      PRO   3  16.240  12.133  14.441
   16    HG2  PRO   3           HG2      PRO   3  14.067  11.883  16.231
   17    HG3  PRO   3           HG1      PRO   3  15.919  11.435  16.513
   18    HD2  PRO   3           HD2      PRO   3  14.025  13.570  17.507
   19    HD3  PRO   3           HD1      PRO   3  15.578  13.088  18.211
   20    HA   DPR   4           HA       DPR   4  15.634  16.606  11.965
   21    HB2  DPR   4           HB1      DPR   4  17.815  18.042  11.311
   22    HB3  DPR   4           HB2      DPR   4  17.803  16.269  11.271
   23    HG2  DPR   4           HG1      DPR   4  18.717  17.966  13.660
   24    HG3  DPR   4           HG2      DPR   4  19.733  16.774  12.717
   25    HD2  DPR   4           HD1      DPR   4  18.325  16.236  14.958
   26    HD3  DPR   4           HD2      DPR   4  18.506  14.962  13.709
   27    H    LYS   5           H        LYS   5  15.718  17.655  15.046
   28    HA   LYS   5           HA       LYS   5  14.970  20.474  14.386
   29    HB2  LYS   5           HB2      LYS   5  13.642  18.455  16.183
   30    HB3  LYS   5           HB1      LYS   5  13.218  20.199  16.110
   31    HG2  LYS   5           HG2      LYS   5  12.793  20.111  13.799
   32    HG3  LYS   5           HG1      LYS   5  13.034  18.311  13.819
   33    HD2  LYS   5           HD2      LYS   5  10.797  19.934  15.093
   34    HD3  LYS   5           HD1      LYS   5  10.832  18.930  13.673
   35    HE2  LYS   5           HE2      LYS   5   9.554  17.808  15.393
   36    HE3  LYS   5           HE1      LYS   5  10.995  16.899  15.080
   37    HZ1  LYS   5           HZ1      LYS   5  10.434  17.138  17.414
   38    HZ2  LYS   5           HZ2      LYS   5  10.917  18.725  17.327
   39    HZ3  LYS   5           HZ3      LYS   5  11.952  17.591  17.140
   40    H    DTH   6           H        DTH   6  17.163  18.640  16.426
   41    HA   DTH   6           HA       DTH   6  17.405  21.085  17.979
   42    HB   DTH   6           HB       DTH   6  18.643  21.700  16.086
   43   HG21  DTH   6          1HG2      DTH   6  21.033  21.409  16.625
   44   HG22  DTH   6          2HG2      DTH   6  20.679  20.460  18.096
   45   HG23  DTH   6          3HG2      DTH   6  20.176  22.047  18.077
   46    HG1  DTH   6           HG1      DTH   6  20.049  19.339  16.020
   47    H    DAS   7           H        DAS   7  18.131  20.761  20.048
   48    HA   DAS   7           HA       DAS   7  18.651  19.592  21.947
   49    HB2  DAS   7           HB1      DAS   7  20.770  18.722  20.076
   50    HB3  DAS   7           HB2      DAS   7  20.904  18.565  21.836
  Start of MODEL   19
    1    H1   GLN   1           H1       GLN   1  19.979  16.698  20.581
    2    HA   GLN   1           HA       GLN   1  19.103  14.580  20.779
    3    HB2  GLN   1           HB2      GLN   1  18.084  15.582  23.502
    4    HB3  GLN   1           HB1      GLN   1  18.306  13.922  22.908
    5    HG2  GLN   1           HG2      GLN   1  20.406  16.046  23.153
    6    HG3  GLN   1           HG1      GLN   1  19.893  14.875  24.480
    7   HE21  GLN   1          1HE2      GLN   1  20.063  12.660  23.930
    8   HE22  GLN   1          2HE2      GLN   1  21.187  11.973  22.707
    9    H    ASP   2           H        ASP   2  17.434  16.522  19.441
   10    HA   ASP   2           HA       ASP   2  15.210  14.616  19.063
   11    HB2  ASP   2           HB2      ASP   2  14.462  16.528  20.332
   12    HB3  ASP   2           HB1      ASP   2  14.662  17.562  19.023
   13    HA   PRO   3           HA       PRO   3  17.685  14.563  15.426
   14    HB2  PRO   3           HB2      PRO   3  15.363  12.908  14.385
   15    HB3  PRO   3           HB1      PRO   3  17.126  12.631  14.152
   16    HG2  PRO   3           HG2      PRO   3  15.778  11.334  16.044
   17    HG3  PRO   3           HG1      PRO   3  17.368  12.067  16.463
   18    HD2  PRO   3           HD2      PRO   3  14.608  13.045  17.051
   19    HD3  PRO   3           HD1      PRO   3  15.997  13.057  18.153
   20    HA   DPR   4           HA       DPR   4  15.549  16.678  11.877
   21    HB2  DPR   4           HB1      DPR   4  17.409  18.340  11.305
   22    HB3  DPR   4           HB2      DPR   4  17.595  16.629  10.881
   23    HG2  DPR   4           HG1      DPR   4  18.892  18.267  13.068
   24    HG3  DPR   4           HG2      DPR   4  19.627  16.912  12.164
   25    HD2  DPR   4           HD1      DPR   4  18.507  16.583  14.651
   26    HD3  DPR   4           HD2      DPR   4  18.726  15.293  13.527
   27    H    LYS   5           H        LYS   5  15.921  17.843  15.011
   28    HA   LYS   5           HA       LYS   5  15.169  20.486  14.353
   29    HB2  LYS   5           HB2      LYS   5  12.996  20.435  15.755
   30    HB3  LYS   5           HB1      LYS   5  13.051  19.648  14.156
   31    HG2  LYS   5           HG2      LYS   5  13.135  17.495  15.367
   32    HG3  LYS   5           HG1      LYS   5  13.057  18.442  16.893
   33    HD2  LYS   5           HD2      LYS   5  11.014  19.120  16.778
   34    HD3  LYS   5           HD1      LYS   5  11.044  19.269  15.021
   35    HE2  LYS   5           HE2      LYS   5   9.472  17.425  15.325
   36    HE3  LYS   5           HE1      LYS   5  10.959  16.768  14.789
   37    HZ1  LYS   5           HZ1      LYS   5  11.469  16.252  17.072
   38    HZ2  LYS   5           HZ2      LYS   5   9.938  15.620  16.722
   39    HZ3  LYS   5           HZ3      LYS   5  10.137  16.984  17.642
   40    H    DTH   6           H        DTH   6  16.561  18.489  16.846
   41    HA   DTH   6           HA       DTH   6  17.604  20.950  17.886
   42    HB   DTH   6           HB       DTH   6  18.386  20.857  15.527
   43   HG21  DTH   6          1HG2      DTH   6  20.795  21.113  16.034
   44   HG22  DTH   6          2HG2      DTH   6  20.518  20.297  17.588
   45   HG23  DTH   6          3HG2      DTH   6  19.781  21.891  17.314
   46    HG1  DTH   6           HG1      DTH   6  19.800  19.403  14.835
   47    H    DAS   7           H        DAS   7  18.777  20.679  19.591
   48    HA   DAS   7           HA       DAS   7  19.090  19.789  21.601
   49    HB2  DAS   7           HB1      DAS   7  21.082  18.364  19.971
   50    HB3  DAS   7           HB2      DAS   7  21.019  18.306  21.720
  Start of MODEL   20
    1    H1   GLN   1           H1       GLN   1  19.751  16.631  20.269
    2    HA   GLN   1           HA       GLN   1  19.197  14.596  20.606
    3    HB2  GLN   1           HB2      GLN   1  18.083  15.586  23.238
    4    HB3  GLN   1           HB1      GLN   1  18.226  13.906  22.677
    5    HG2  GLN   1           HG2      GLN   1  20.508  13.963  22.703
    6    HG3  GLN   1           HG1      GLN   1  20.646  15.728  22.894
    7   HE21  GLN   1          1HE2      GLN   1  20.080  16.779  25.034
    8   HE22  GLN   1          2HE2      GLN   1  20.394  15.729  26.453
    9    H    ASP   2           H        ASP   2  17.337  16.655  19.506
   10    HA   ASP   2           HA       ASP   2  15.171  14.711  19.005
   11    HB2  ASP   2           HB2      ASP   2  15.013  17.691  18.393
   12    HB3  ASP   2           HB1      ASP   2  13.811  16.574  18.155
   13    HA   PRO   3           HA       PRO   3  17.778  14.557  15.345
   14    HB2  PRO   3           HB2      PRO   3  15.648  12.846  14.273
   15    HB3  PRO   3           HB1      PRO   3  17.441  12.733  14.258
   16    HG2  PRO   3           HG2      PRO   3  15.621  11.443  16.013
   17    HG3  PRO   3           HG1      PRO   3  17.378  11.641  16.387
   18    HD2  PRO   3           HD2      PRO   3  14.942  13.107  17.418
   19    HD3  PRO   3           HD1      PRO   3  16.632  13.029  18.113
   20    HA   DPR   4           HA       DPR   4  15.470  16.320  12.002
   21    HB2  DPR   4           HB1      DPR   4  17.581  18.548  12.173
   22    HB3  DPR   4           HB2      DPR   4  17.006  17.830  10.697
   23    HG2  DPR   4           HG1      DPR   4  19.438  16.939  11.653
   24    HG3  DPR   4           HG2      DPR   4  18.290  15.902  10.895
   25    HD2  DPR   4           HD1      DPR   4  18.841  16.467  13.765
   26    HD3  DPR   4           HD2      DPR   4  18.418  14.918  13.127
   27    H    LYS   5           H        LYS   5  15.818  17.753  14.984
   28    HA   LYS   5           HA       LYS   5  14.765  20.465  14.427
   29    HB2  LYS   5           HB2      LYS   5  12.885  19.318  15.173
   30    HB3  LYS   5           HB1      LYS   5  13.898  18.291  16.260
   31    HG2  LYS   5           HG2      LYS   5  14.139  20.246  17.722
   32    HG3  LYS   5           HG1      LYS   5  13.048  21.133  16.740
   33    HD2  LYS   5           HD2      LYS   5  11.167  19.380  17.271
   34    HD3  LYS   5           HD1      LYS   5  12.408  18.589  18.217
   35    HE2  LYS   5           HE2      LYS   5  11.454  21.461  18.667
   36    HE3  LYS   5           HE1      LYS   5  10.849  20.024  19.565
   37    HZ1  LYS   5           HZ1      LYS   5  12.581  20.916  20.867
   38    HZ2  LYS   5           HZ2      LYS   5  13.663  21.198  19.732
   39    HZ3  LYS   5           HZ3      LYS   5  13.261  19.709  20.065
   40    H    DTH   6           H        DTH   6  16.816  18.458  16.652
   41    HA   DTH   6           HA       DTH   6  17.788  20.953  17.702
   42    HB   DTH   6           HB       DTH   6  19.007  20.821  15.705
   43   HG21  DTH   6          1HG2      DTH   6  20.849  21.049  17.334
   44   HG22  DTH   6          2HG2      DTH   6  21.375  19.912  16.075
   45   HG23  DTH   6          3HG2      DTH   6  20.888  19.379  17.688
   46    HG1  DTH   6           HG1      DTH   6  19.766  19.028  14.861
   47    H    DAS   7           H        DAS   7  18.517  20.737  19.787
   48    HA   DAS   7           HA       DAS   7  18.632  19.821  21.769
   49    HB2  DAS   7           HB1      DAS   7  21.009  18.479  20.675
   50    HB3  DAS   7           HB2      DAS   7  20.694  18.987  22.374