*HEADER    HORMONE/GROWTH FACTOR                   22-JAN-02   1KUW              
*TITLE     HIGH-RESOLUTION STRUCTURE AND LOCALIZATION OF AMYLIN                  
*TITLE    2 NUCLEATION SITE IN DETERGENT MICELLES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ISLET AMYLOID POLYPEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AMYLIN;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN HOMO SAPIENS.          
*KEYWDS    AMYLIN, HIAPP, SOLUTION NMR, MICELLES, ORIENTATION                    
*EXPDTA    NMR, 39 STRUCTURES                                                    
*AUTHOR    A.MASCIONI, F.PORCELLI, U.ILANGOVAN, A.RAMAMOORTHY, G.VEGLIA          
*REVDAT   1   02-SEP-03 1KUW    0                                                
#---------------------
!SNNFGAILSS
!dHA-HN(i,i+1)
assign (residue 2 and name HN) (residue 1 and name HA) 4.0 2.2 1.0 !w 
assign (residue 4 and name HN) (residue 3 and name HA) 3.0 1.2 0.3 !m
assign (residue 5 and name HN) (residue 4 and name HA) 3.0 1.2 0.3 !m
assign (residue 6 and name HN) (residue 5 and name HA#) 4.0 2.2 1.0 !w
!assign (residue 6 and name HN) (residue 5 and name HA1) 3.0 1.2 0.3 !m
!assign (residue 6 and name HN) (residue 5 and name HA2) 4.0 2.2 1.0 !w
assign (residue 7 and name HN) (residue 6 and name HA) 3.0 1.2 0.3 !m
assign (residue 8 and name HN) (residue 7 and name HA) 3.0 1.2 0.3 !m
assign (residue 9 and name HN) (residue 8 and name HA) 3.0 1.2 0.3 !m
!dHB-HN(i,i+1)
assign (residue 2 and name HN) (residue 1 and name HB#) 4.0 2.2 1.0 !w
assign (residue 3 and name HN) (residue 2 and name HB#) 3.0 1.2 0.3 !m
assign (residue 4 and name HN) (residue 3 and name HB#) 4.0 2.2 1.0 !w
!assign (residue 4 and name HN) (residue 3 and name HB1) 4.0 2.2 1.0 !w
!assign (residue 4 and name HN) (residue 3 and name HB2) 4.0 2.2 1.0 !w
assign (residue 5 and name HN) (residue 4 and name HB#) 4.0 2.2 1.0 !w
!assign (residue 5 and name HN) (residue 4 and name HB1) 4.0 2.2 1.0 !w
!assign (residue 5 and name HN) (residue 4 and name HB2) 4.0 2.2 1.0 !w
assign (residue 7 and name HN) (residue 6 and name HB#) 3.0 1.2 0.3 !m
assign (residue 8 and name HN) (residue 7 and name HB) 4.0 2.2 1.0 !w
assign (residue 9 and name HN) (residue 8 and name HB#) 4.0 2.2 1.0 !w
!assign (residue 9 and name HN) (residue 8 and name HB1) 4.0 2.2 1.0 !w
!assign (residue 9 and name HN) (residue 8 and name HB2) 3.0 1.2 0.3 !m
!dHA-HN(i,i+2)
assign (residue 8 and name HN) (residue 6 and name HA) 4.0 2.2 1.0 !w
!dHA-HN(i,i+3)
!dHA-HN(i,i+4)
!dHN-HN(i,i+1)
assign (residue 4 and name HN) (residue 3 and name HN) 3.0 1.2 0.3 !m
assign (residue 5 and name HN) (residue 4 and name HN) 4.0 2.2 1.0 !w 
assign (residue 6 and name HN) (residue 5 and name HN) 4.0 2.2 1.0 !w 
assign (residue 9 and name HN) (residue 8 and name HN) 3.0 1.2 0.3 !m
assign (residue 10 and name HN) (residue 9 and name HN) 3.0 1.2 0.3 !m
!dHN-HN(i,i+2)
assign (residue 5 and name HN) (residue 7 and name HN) 4.0 2.2 1.0 !w
assign (residue 6 and name HN) (residue 4 and name HN) 4.0 2.2 1.0 !w 
assign (residue 10 and name HN) (residue 8 and name HN) 4.0 2.2 1.0 !w
!dHN-HN(i,j)
assign (residue 6 and name HN) (residue 3 and name HN) 4.0 2.2 1.0 !w
!dHA-HB(i,i+3)
!dHA-HN(i,i)
assign (residue 2 and name HN) (residue 2 and name HA)  2.5 .7 0.3 !s
assign (residue 3 and name HN) (residue 3 and name HA)  2.5 .7 0.3 !s
assign (residue 4 and name HN) (residue 4 and name HA)  3.0 1.2 0.3 !m 
assign (residue 5 and name HN) (residue 5 and name HA#)  2.5 .7 0.3 !s
!assign (residue 5 and name HN) (residue 5 and name HA1)  2.5 .7 0.3 !s
!assign (residue 5 and name HN) (residue 5 and name HA2)  2.5 .7 0.3 !s
assign (residue 6 and name HN) (residue 6 and name HA)  2.5 .7 0.3 !s
assign (residue 7 and name HN) (residue 7 and name HA)  3.0 1.2 0.3 !m
assign (residue 8 and name HN) (residue 8 and name HA)  3.0 1.2 0.3 !m
assign (residue 9 and name HN) (residue 9 and name HA)  3.0 1.2 0.3 !m
assign (residue 10 and name HN) (residue 10 and name HA)  2.5 .7 0.3 !s
!sidechains
!S1
assign (residue 1 and name HA) (residue 1 and name HB#)  3.0 1.2 0.3 !m
!N2
assign (residue 2 and name HA) (residue 2 and name HB#)  2.5 .7 0.3 !s
assign (residue 2 and name HB#) (residue 2 and name HD2# )  4.0 2.2 1.0 !w
!assign (residue 2 and name HB#) (residue 2 and name HD21)  3.0 1.2 0.3 !m
!assign (residue 2 and name HB#) (residue 2 and name HD22)  4.0 2.2 1.0 !w
!N3
assign (residue 3 and name HN) (residue 3 and name HB#)  4.0 2.2 1.0 !w
!assign (residue 3 and name HN) (residue 3 and name HB1)  4.0 2.2 1.0 !w
!assign (residue 3 and name HN) (residue 3 and name HB2)  3.0 1.2 0.3 !m
assign (residue 3 and name HD2#) (residue 3 and name HB#)  4.0 2.2 1.0 !w
!assign (residue 3 and name HD21) (residue 3 and name HB1)  4.0 2.2 1.0 !w
!assign (residue 3 and name HD21) (residue 3 and name HB2)  4.0 2.2 1.0 !w
!assign (residue 3 and name HD22) (residue 3 and name HB1)  4.0 2.2 1.0 !w
!assign (residue 3 and name HD22) (residue 3 and name HB2)  4.0 2.2 1.0 !w
assign (residue 3 and name HN) (residue 3 and name HD2#)  4.0 2.2 1.0 !w
!assign (residue 3 and name HN) (residue 3 and name HD21)  4.0 2.2 1.0 !w
!assign (residue 3 and name HN) (residue 3 and name HD22)  4.0 2.2 1.0 !w
assign (residue 3 and name HA) (residue 3 and name HB#)  2.5 .7 0.3 !s
!assign (residue 3 and name HA) (residue 3 and name HB1)  2.5 .7 0.3 !s
!assign (residue 3 and name HA) (residue 3 and name HB2)  2.5 .7 0.3 !s
!F4
assign (residue 4 and name HN) (residue 4 and name HB#)  3.0 1.2 0.3 !m
!assign (residue 4 and name HN) (residue 4 and name HB1)  3.0 1.2 0.3 !m
!assign (residue 4 and name HN) (residue 4 and name HB2)  3.0 1.2 0.3 !m
assign (residue 4 and name HA) (residue 4 and name HB#)  3.0 1.2 0.3 !m
!assign (residue 4 and name HA) (residue 4 and name HB1)  3.0 1.2 0.3 !m
!assign (residue 4 and name HA) (residue 4 and name HB2)  2.5 .7 0.3 !s
!G5
!A6
assign (residue 6 and name HN) (residue 6 and name HB#)  2.5 .7 0.3 !s
assign (residue 6 and name HA) (residue 6 and name HB#)  2.5 .7 0.3 !s
!I7
assign (residue 7 and name HN) (residue 7 and name HB)  3.0 1.2 0.3 !m
assign (residue 7 and name HN) (residue 7 and name HG1#)  3.0 1.2 0.3 !m
!assign (residue 7 and name HN) (residue 7 and name HG11)  3.0 1.2 0.3 !m
!assign (residue 7 and name HN) (residue 7 and name HG12)  3.0 1.2 0.3 !m
assign (residue 7 and name HN) (residue 7 and name HG2#)  3.0 1.2 0.3 !m
assign (residue 7 and name HN) (residue 7 and name HD1#)  4.0 2.2 1.0 !w
assign (residue 7 and name HA) (residue 7 and name HB)  2.5 .7 0.3 !s
assign (residue 7 and name HA) (residue 7 and name HG1#)  4.0 2.2 1.0 !w
!assign (residue 7 and name HA) (residue 7 and name HG11)  4.0 2.2 1.0 !w
!assign (residue 7 and name HA) (residue 7 and name HG12)  3.0 1.2 0.3 !m
assign (residue 7 and name HA) (residue 7 and name HG2#)  3.0 1.2 0.3 !m
assign (residue 7 and name HA) (residue 7 and name HD1#)  3.0 1.2 0.3 !m
assign (residue 7 and name HB) (residue 7 and name HG1#)  3.0 1.2 0.3 !m
!assign (residue 7 and name HB) (residue 7 and name HG11)  3.0 1.2 0.3 !m
!assign (residue 7 and name HB) (residue 7 and name HG12)  3.0 1.2 0.3 !m
assign (residue 7 and name HB) (residue 7 and name HG2#)  2.5 .7 0.3 !s
assign (residue 7 and name HB) (residue 7 and name HD1#)  2.5 .7 0.3 !s
assign (residue 7 and name HG1#) (residue 7 and name HG2#)  2.5 .7 0.3 !s
assign (residue 7 and name HG1#) (residue 7 and name HD1#)  2.5 .7 0.3 !s
!assign (residue 7 and name HG11) (residue 7 and name HG2#)  2.5 .7 0.3 !s
!assign (residue 7 and name HG11) (residue 7 and name HD1#)  2.5 .7 0.3 !s
!assign (residue 7 and name HG12) (residue 7 and name HG2#)  2.5 .7 0.3 !s
!assign (residue 7 and name HG12) (residue 7 and name HD1#)  2.5 .7 0.3 !s
!L8
assign (residue 8 and name HN) (residue 8 and name HB#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HN) (residue 8 and name HB1)  3.0 1.2 0.3 !m
!assign (residue 8 and name HN) (residue 8 and name HB2)  2.5 .7 0.3 !s
!assign (residue 8 and name HN) (residue 8 and name HD#)  4.0 2.2 1.0 !w 
assign (residue 8 and name HN) (residue 8 and name HD1#)  3.0 1.2 0.3 !m
assign (residue 8 and name HN) (residue 8 and name HD2#)  4.0 2.2 1.0 !w
assign (residue 8 and name HA) (residue 8 and name HB#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HA) (residue 8 and name HB1)  3.0 1.2 0.3 !m
!assign (residue 8 and name HA) (residue 8 and name HB2)  2.5 .7 0.3 !s
assign (residue 8 and name HA) (residue 8 and name HD#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HA) (residue 8 and name HD1#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HA) (residue 8 and name HD2#)  2.5 .7 0.3 !s
assign (residue 8 and name HB#) (residue 8 and name HD#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HB1) (residue 8 and name HD1#)  3.0 1.2 0.3 !m
!assign (residue 8 and name HB1) (residue 8 and name HD2#)  4.0 2.2 1.0 !w
!assign (residue 8 and name HB2) (residue 8 and name HD1#)  2.5 .7 0.3 !s
!assign (residue 8 and name HB2) (residue 8 and name HD2#)  2.5 .7 0.3 !s
!S9
assign (residue 9 and name HN) (residue 9 and name HB#)  3.0 1.2 0.3 !m
!S10
assign (residue 10 and name HN) (residue 10 and name HB#)  3.0 1.2 0.3 !m
assign (residue 10 and name HA) (residue 10 and name HB#)  3.0 1.2 0.3 !m
!interresidue
assign (residue 5 and name HN) (residue 6 and name HB#)  4.0 2.2 1.0 !w
assign (residue 4 and name HN) (residue 5 and name HA#)  4.0 2.2 1.0 !w
!assign (residue 4 and name HN) (residue 5 and name HA1)  4.0 2.2 1.0 !w
assign (residue 4 and name HN) (residue 2 and name HB#)  4.0 2.2 1.0 !w
assign (residue 8 and name HN) (residue 6 and name HB#)  4.0 2.2 1.0 !w
!assign (residue 10 and name HA) (residue 5 and name HA#)  4.0 2.2 1.0 !w
!assign (residue 10 and name HA) (residue 5 and name HA1)  4.0 2.2 1.0 !w
assign (residue 6 and name HN) (residue 7 and name HG2#) 4.0 2.2 1.0 !w
assign (residue 6 and name HB#) (residue 7 and name HG2#) 4.0 2.2 1.0 !w
assign (residue 6 and name HB#) (residue 7 and name HA)  4.0 2.2 1.0 !w
!F4 special
assign (residue 4 and name HD#) (residue 3 and name HA)  3.0 1.2 2.3 !m
assign (residue 4 and name HE#) (residue 3 and name HA)  4.0 2.2 3.0 !w
assign (residue 4 and name HD#) (residue 4 and name HA)  3.0 1.2 1.3 !m
assign (residue 4 and name HE#) (residue 4 and name HA)  4.0 2.2 1.6 !w
assign (residue 4 and name HD#) (residue 5 and name HA#)  4.0 2.2 3.0 !w
!assign (residue 4 and name HD#) (residue 5 and name HA1)  4.0 2.2 1.0 !w
assign (residue 4 and name HD#) (residue 4 and name HB#)  3.0 1.2 0.3 !m
!assign (residue 4 and name HD#) (residue 4 and name HB1)  3.0 1.2 0.3 !m
!assign (residue 4 and name HD#) (residue 4 and name HB2)  3.0 1.2 0.3 !m
assign (residue 4 and name HE#) (residue 4 and name HB#) 4.0 2.2 1.0 !w
!assign (residue 4 and name HE#) (residue 4 and name HB1) 4.0 2.2 1.0 !w
!assign (residue 4 and name HE#) (residue 4 and name HB2) 4.0 2.2 1.0 !w
assign (residue 4 and name HD#) (residue 2 and name HB#) 4.0 2.2 1.0 !w
assign (residue 4 and name HE#) (residue 2 and name HB#) 4.0 2.2 1.0 !w
assign (residue 4 and name HD#) (residue 3 and name HB#) 4.0 2.2 1.0 !w
!assign (residue 4 and name HD#) (residue 3 and name HB1) 4.0 2.2 1.0 !w
assign (residue 4 and name HD#) (residue 7 and name HG2#) 4.0 2.2 1.0 !w 
assign (residue 4 and name HD#) (residue 4 and name HN) 3.0 1.2 2.3 !m
assign (residue 4 and name HD#) (residue 3 and name HN) 4.0 2.2 3.0 !w

#--------------------
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1HT       SER   1  -1.642  -2.457   7.771
    2   2H    SER   1          2HT       SER   1  -0.497  -3.710   7.688
    3   3H    SER   1          3HT       SER   1  -2.094  -4.045   8.161
    4    HA   SER   1           HA       SER   1  -1.145  -3.248   5.457
    5   1HB   SER   1          2HB       SER   1  -1.917  -5.693   6.921
    6   2HB   SER   1          1HB       SER   1  -2.659  -5.536   5.331
    7    HG   SER   1           HG       SER   1  -0.661  -6.533   5.118
    8    H    ASN   2           HN       ASN   2  -2.610  -1.902   4.473
    9    HA   ASN   2           HA       ASN   2  -5.458  -2.318   4.964
   10   1HB   ASN   2          2HB       ASN   2  -3.808   0.153   5.305
   11   2HB   ASN   2          1HB       ASN   2  -5.512   0.305   4.876
   12   1HD2  ASN   2          1HD2      ASN   2  -4.380   1.136   7.446
   13   2HD2  ASN   2          2HD2      ASN   2  -5.106   0.175   8.643
   14    H    ASN   3           HN       ASN   3  -3.683   0.147   3.105
   15    HA   ASN   3           HA       ASN   3  -3.917  -1.028   0.540
   16   1HB   ASN   3          2HB       ASN   3  -6.391  -0.253   1.674
   17   2HB   ASN   3          1HB       ASN   3  -6.025   0.963   0.453
   18   1HD2  ASN   3          1HD2      ASN   3  -6.024  -2.628   0.835
   19   2HD2  ASN   3          2HD2      ASN   3  -6.513  -2.942  -0.759
   20    H    PHE   4           HN       PHE   4  -1.856   0.361   1.395
   21    HA   PHE   4           HA       PHE   4  -1.940   2.897  -0.148
   22   1HB   PHE   4          2HB       PHE   4  -0.879   2.700   2.693
   23   2HB   PHE   4          1HB       PHE   4  -1.090   4.164   1.737
   24    HD1  PHE   4           1HD      PHE   4  -3.496   4.734   0.965
   25    HD2  PHE   4           2HD      PHE   4  -2.597   1.945   4.105
   26    HE1  PHE   4           1HE      PHE   4  -5.806   4.975   1.837
   27    HE2  PHE   4           2HE      PHE   4  -4.908   2.187   4.979
   28    HZ   PHE   4           HZ       PHE   4  -6.512   3.700   3.845
   29    H    GLY   5           HN       GLY   5   0.764   3.130   1.634
   30   1HA   GLY   5          2HA       GLY   5   2.336   1.468  -0.278
   31   2HA   GLY   5          1HA       GLY   5   2.941   2.928   0.506
   32    H    ALA   6           HN       ALA   6   1.182   1.328   2.803
   33    HA   ALA   6           HA       ALA   6   3.548   0.386   4.153
   34   1HB   ALA   6          1HB       ALA   6   2.127   1.406   5.637
   35   2HB   ALA   6          2HB       ALA   6   1.509  -0.241   5.770
   36   3HB   ALA   6          3HB       ALA   6   0.702   0.922   4.716
   37    H    ILE   7           HN       ILE   7   0.867  -0.887   2.504
   38    HA   ILE   7           HA       ILE   7   1.275  -3.644   3.306
   39    HB   ILE   7           HB       ILE   7  -0.879  -3.714   2.911
   40   1HG1  ILE   7          2HG1      ILE   7  -1.743  -3.063   0.624
   41   2HG1  ILE   7          1HG1      ILE   7  -0.049  -2.756   0.206
   42   1HG2  ILE   7          1HG2      ILE   7  -0.667  -0.894   1.914
   43   2HG2  ILE   7          2HG2      ILE   7  -0.705  -1.347   3.620
   44   3HG2  ILE   7          3HG2      ILE   7  -2.091  -1.686   2.583
   45   1HD1  ILE   7          1HD1      ILE   7   0.159  -4.979  -0.156
   46   2HD1  ILE   7          2HD1      ILE   7  -1.406  -5.315   0.587
   47   3HD1  ILE   7          3HD1      ILE   7   0.034  -5.166   1.593
   48    H    LEU   8           HN       LEU   8   2.465  -1.534   0.982
   49    HA   LEU   8           HA       LEU   8   3.044  -3.655  -0.986
   50   1HB   LEU   8          2HB       LEU   8   2.618  -1.926  -2.354
   51   2HB   LEU   8          1HB       LEU   8   2.495  -0.852  -0.969
   52    HG   LEU   8           HG       LEU   8   4.188  -0.039  -2.504
   53   1HD1  LEU   8          1HD1      LEU   8   6.064  -0.974  -0.514
   54   2HD1  LEU   8          2HD1      LEU   8   4.509  -0.611   0.235
   55   3HD1  LEU   8          3HD1      LEU   8   5.345   0.627  -0.698
   56   1HD2  LEU   8          1HD2      LEU   8   5.362  -1.551  -3.701
   57   2HD2  LEU   8          2HD2      LEU   8   4.781  -2.862  -2.677
   58   3HD2  LEU   8          3HD2      LEU   8   6.243  -1.979  -2.235
   59    H    SER   9           HN       SER   9   4.449  -2.206   1.696
   60    HA   SER   9           HA       SER   9   7.245  -2.673   0.855
   61   1HB   SER   9          2HB       SER   9   5.747  -1.300   2.989
   62   2HB   SER   9          1HB       SER   9   7.228  -2.071   3.546
   63    HG   SER   9           HG       SER   9   7.029   0.211   2.328
   64    H    SER  10           HN       SER  10   5.648  -3.600   3.906
   65    HA   SER  10           HA       SER  10   6.193  -6.409   3.452
   66   1HB   SER  10          2HB       SER  10   7.814  -4.595   5.146
   67   2HB   SER  10          1HB       SER  10   7.459  -6.181   5.826
   68    HG   SER  10           HG       SER  10   8.923  -5.475   3.544
  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1  -4.100  -5.544   8.253
    2   2H    SER   1          2HT       SER   1  -5.017  -4.124   8.420
    3   3H    SER   1          3HT       SER   1  -3.404  -4.039   7.894
    4    HA   SER   1           HA       SER   1  -3.964  -5.177   5.840
    5   1HB   SER   1          2HB       SER   1  -5.681  -6.587   6.931
    6   2HB   SER   1          1HB       SER   1  -6.720  -5.176   7.116
    7    HG   SER   1           HG       SER   1  -6.549  -6.790   5.051
    8    H    ASN   2           HN       ASN   2  -3.252  -2.940   5.391
    9    HA   ASN   2           HA       ASN   2  -5.344  -0.915   5.267
   10   1HB   ASN   2          2HB       ASN   2  -2.345  -0.815   4.890
   11   2HB   ASN   2          1HB       ASN   2  -3.401   0.598   4.924
   12   1HD2  ASN   2          1HD2      ASN   2  -2.295  -2.153   6.945
   13   2HD2  ASN   2          2HD2      ASN   2  -2.597  -1.384   8.428
   14    H    ASN   3           HN       ASN   3  -3.714   0.446   3.076
   15    HA   ASN   3           HA       ASN   3  -3.692  -1.191   0.753
   16   1HB   ASN   3          2HB       ASN   3  -6.127  -1.163   1.235
   17   2HB   ASN   3          1HB       ASN   3  -6.102   0.600   1.217
   18   1HD2  ASN   3          1HD2      ASN   3  -5.239   1.574  -0.900
   19   2HD2  ASN   3          2HD2      ASN   3  -5.650   0.783  -2.343
   20    H    PHE   4           HN       PHE   4  -1.742   0.378   1.462
   21    HA   PHE   4           HA       PHE   4  -1.855   2.716  -0.365
   22   1HB   PHE   4          2HB       PHE   4  -0.862   2.870   2.502
   23   2HB   PHE   4          1HB       PHE   4  -1.116   4.212   1.389
   24    HD1  PHE   4           1HD      PHE   4  -2.545   2.257   4.001
   25    HD2  PHE   4           2HD      PHE   4  -3.553   4.513   0.488
   26    HE1  PHE   4           1HE      PHE   4  -4.878   2.486   4.815
   27    HE2  PHE   4           2HE      PHE   4  -5.886   4.743   1.302
   28    HZ   PHE   4           HZ       PHE   4  -6.548   3.727   3.465
   29    H    GLY   5           HN       GLY   5   0.785   3.106   1.582
   30   1HA   GLY   5          2HA       GLY   5   2.481   1.470  -0.240
   31   2HA   GLY   5          1HA       GLY   5   3.024   2.916   0.612
   32    H    ALA   6           HN       ALA   6   1.215   1.401   2.871
   33    HA   ALA   6           HA       ALA   6   3.522   0.355   4.239
   34   1HB   ALA   6          1HB       ALA   6   1.556  -0.184   5.903
   35   2HB   ALA   6          2HB       ALA   6   0.640   0.843   4.798
   36   3HB   ALA   6          3HB       ALA   6   2.051   1.489   5.638
   37    H    ILE   7           HN       ILE   7   0.809  -0.839   2.576
   38    HA   ILE   7           HA       ILE   7   1.217  -3.625   3.300
   39    HB   ILE   7           HB       ILE   7  -0.951  -3.666   3.000
   40   1HG1  ILE   7          2HG1      ILE   7  -1.910  -2.949   0.773
   41   2HG1  ILE   7          1HG1      ILE   7  -0.236  -2.636   0.289
   42   1HG2  ILE   7          1HG2      ILE   7  -0.735  -1.325   3.770
   43   2HG2  ILE   7          2HG2      ILE   7  -2.162  -1.621   2.777
   44   3HG2  ILE   7          3HG2      ILE   7  -0.756  -0.821   2.082
   45   1HD1  ILE   7          1HD1      ILE   7  -1.587  -5.200   0.658
   46   2HD1  ILE   7          2HD1      ILE   7  -0.102  -5.085   1.601
   47   3HD1  ILE   7          3HD1      ILE   7  -0.060  -4.848  -0.148
   48    H    LEU   8           HN       LEU   8   2.321  -1.439   1.016
   49    HA   LEU   8           HA       LEU   8   2.696  -3.340  -1.179
   50   1HB   LEU   8          2HB       LEU   8   2.957  -0.470  -0.644
   51   2HB   LEU   8          1HB       LEU   8   4.146  -1.114  -1.778
   52    HG   LEU   8           HG       LEU   8   2.362  -2.080  -3.147
   53   1HD1  LEU   8          1HD1      LEU   8   0.572  -2.666  -1.818
   54   2HD1  LEU   8          2HD1      LEU   8  -0.024  -1.113  -2.402
   55   3HD1  LEU   8          3HD1      LEU   8   0.718  -1.230  -0.806
   56   1HD2  LEU   8          1HD2      LEU   8   1.343   0.681  -2.670
   57   2HD2  LEU   8          2HD2      LEU   8   1.818  -0.096  -4.180
   58   3HD2  LEU   8          3HD2      LEU   8   3.052   0.514  -3.077
   59    H    SER   9           HN       SER   9   5.183  -1.208  -0.190
   60    HA   SER   9           HA       SER   9   6.919  -3.413   0.782
   61   1HB   SER   9          2HB       SER   9   7.675  -1.580  -1.511
   62   2HB   SER   9          1HB       SER   9   8.580  -2.972  -0.922
   63    HG   SER   9           HG       SER   9   6.317  -2.838  -2.519
   64    H    SER  10           HN       SER  10   6.506  -1.959   2.739
   65    HA   SER  10           HA       SER  10   8.667  -0.044   2.986
   66   1HB   SER  10          2HB       SER  10   6.838   1.292   2.077
   67   2HB   SER  10          1HB       SER  10   5.745   0.667   3.307
   68    HG   SER  10           HG       SER  10   8.075   2.241   3.720
  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1  -7.818  -5.921   6.458
    2   2H    SER   1          2HT       SER   1  -8.072  -4.903   5.121
    3   3H    SER   1          3HT       SER   1  -8.313  -4.316   6.697
    4    HA   SER   1           HA       SER   1  -5.930  -4.596   7.168
    5   1HB   SER   1          2HB       SER   1  -4.507  -5.413   5.421
    6   2HB   SER   1          1HB       SER   1  -5.894  -6.497   5.454
    7    HG   SER   1           HG       SER   1  -5.801  -5.965   3.373
    8    H    ASN   2           HN       ASN   2  -4.258  -3.321   5.222
    9    HA   ASN   2           HA       ASN   2  -5.517  -0.696   5.124
   10   1HB   ASN   2          2HB       ASN   2  -2.655  -1.609   4.794
   11   2HB   ASN   2          1HB       ASN   2  -3.172   0.074   4.890
   12   1HD2  ASN   2          1HD2      ASN   2  -1.403  -0.637   6.841
   13   2HD2  ASN   2          2HD2      ASN   2  -2.181  -0.866   8.333
   14    H    ASN   3           HN       ASN   3  -3.674   0.277   3.055
   15    HA   ASN   3           HA       ASN   3  -3.733  -1.157   0.636
   16   1HB   ASN   3          2HB       ASN   3  -6.283  -0.034   1.531
   17   2HB   ASN   3          1HB       ASN   3  -5.825   0.571  -0.061
   18   1HD2  ASN   3          1HD2      ASN   3  -4.350  -1.839  -0.868
   19   2HD2  ASN   3          2HD2      ASN   3  -5.500  -3.061  -1.111
   20    H    PHE   4           HN       PHE   4  -1.779   0.373   1.456
   21    HA   PHE   4           HA       PHE   4  -1.864   2.777  -0.296
   22   1HB   PHE   4          2HB       PHE   4  -0.797   2.842   2.544
   23   2HB   PHE   4          1HB       PHE   4  -1.165   4.210   1.497
   24    HD1  PHE   4           1HD      PHE   4  -2.376   2.102   4.098
   25    HD2  PHE   4           2HD      PHE   4  -3.659   4.441   0.732
   26    HE1  PHE   4           1HE      PHE   4  -4.672   2.193   5.035
   27    HE2  PHE   4           2HE      PHE   4  -5.953   4.532   1.668
   28    HZ   PHE   4           HZ       PHE   4  -6.460   3.408   3.820
   29    H    GLY   5           HN       GLY   5   0.801   3.093   1.606
   30   1HA   GLY   5          2HA       GLY   5   2.440   1.424  -0.239
   31   2HA   GLY   5          1HA       GLY   5   3.015   2.885   0.566
   32    H    ALA   6           HN       ALA   6   1.220   1.369   2.862
   33    HA   ALA   6           HA       ALA   6   3.550   0.388   4.237
   34   1HB   ALA   6          1HB       ALA   6   0.798  -0.039   5.237
   35   2HB   ALA   6          2HB       ALA   6   1.316   1.630   4.997
   36   3HB   ALA   6          3HB       ALA   6   2.207   0.580   6.098
   37    H    ILE   7           HN       ILE   7   0.838  -0.889   2.614
   38    HA   ILE   7           HA       ILE   7   1.343  -3.645   3.371
   39    HB   ILE   7           HB       ILE   7  -0.830  -3.765   3.109
   40   1HG1  ILE   7          2HG1      ILE   7  -1.856  -3.121   0.897
   41   2HG1  ILE   7          1HG1      ILE   7  -0.212  -2.722   0.381
   42   1HG2  ILE   7          1HG2      ILE   7  -0.664  -1.401   3.847
   43   2HG2  ILE   7          2HG2      ILE   7  -2.114  -1.772   2.914
   44   3HG2  ILE   7          3HG2      ILE   7  -0.770  -0.929   2.151
   45   1HD1  ILE   7          1HD1      ILE   7   0.100  -4.919  -0.043
   46   2HD1  ILE   7          2HD1      ILE   7  -1.418  -5.348   0.746
   47   3HD1  ILE   7          3HD1      ILE   7   0.052  -5.167   1.701
   48    H    LEU   8           HN       LEU   8   2.202  -1.444   0.978
   49    HA   LEU   8           HA       LEU   8   2.718  -3.444  -1.132
   50   1HB   LEU   8          2HB       LEU   8   2.617  -0.519  -0.788
   51   2HB   LEU   8          1HB       LEU   8   3.845  -1.075  -1.927
   52    HG   LEU   8           HG       LEU   8   2.156  -2.373  -3.145
   53   1HD1  LEU   8          1HD1      LEU   8  -0.278  -1.941  -2.480
   54   2HD1  LEU   8          2HD1      LEU   8   0.354  -1.325  -0.953
   55   3HD1  LEU   8          3HD1      LEU   8   0.639  -3.004  -1.412
   56   1HD2  LEU   8          1HD2      LEU   8   1.115   0.429  -2.657
   57   2HD2  LEU   8          2HD2      LEU   8   0.981  -0.523  -4.136
   58   3HD2  LEU   8          3HD2      LEU   8   2.552   0.088  -3.621
   59    H    SER   9           HN       SER   9   4.220  -3.858   1.345
   60    HA   SER   9           HA       SER   9   6.958  -3.734   0.214
   61   1HB   SER   9          2HB       SER   9   5.878  -2.107   2.449
   62   2HB   SER   9          1HB       SER   9   7.454  -2.838   2.734
   63    HG   SER   9           HG       SER   9   8.189  -1.862   0.834
   64    H    SER  10           HN       SER  10   5.404  -4.369   3.384
   65    HA   SER  10           HA       SER  10   6.145  -7.167   3.220
   66   1HB   SER  10          2HB       SER  10   7.796  -7.079   4.835
   67   2HB   SER  10          1HB       SER  10   7.972  -5.459   4.170
   68    HG   SER  10           HG       SER  10   7.413  -4.742   6.053
  Start of MODEL    4
    1   1H    SER   1          1HT       SER   1  -4.824  -7.190   6.190
    2   2H    SER   1          2HT       SER   1  -5.417  -6.542   4.736
    3   3H    SER   1          3HT       SER   1  -6.047  -6.016   6.224
    4    HA   SER   1           HA       SER   1  -3.720  -5.207   6.773
    5   1HB   SER   1          2HB       SER   1  -3.006  -6.743   4.751
    6   2HB   SER   1          1HB       SER   1  -3.384  -5.318   3.787
    7    HG   SER   1           HG       SER   1  -1.580  -5.488   5.978
    8    H    ASN   2           HN       ASN   2  -3.019  -3.130   4.954
    9    HA   ASN   2           HA       ASN   2  -5.430  -1.501   5.090
   10   1HB   ASN   2          2HB       ASN   2  -2.516  -0.799   4.708
   11   2HB   ASN   2          1HB       ASN   2  -3.811   0.365   4.977
   12   1HD2  ASN   2          1HD2      ASN   2  -5.018   0.130   7.114
   13   2HD2  ASN   2          2HD2      ASN   2  -4.167  -0.465   8.456
   14    H    ASN   3           HN       ASN   3  -3.594   0.165   3.017
   15    HA   ASN   3           HA       ASN   3  -3.730  -1.198   0.531
   16   1HB   ASN   3          2HB       ASN   3  -6.229  -0.377   1.611
   17   2HB   ASN   3          1HB       ASN   3  -5.880   0.715   0.272
   18   1HD2  ASN   3          1HD2      ASN   3  -6.207  -2.749   1.098
   19   2HD2  ASN   3          2HD2      ASN   3  -6.521  -3.261  -0.489
   20    H    PHE   4           HN       PHE   4  -1.731   0.307   1.388
   21    HA   PHE   4           HA       PHE   4  -1.830   2.739  -0.316
   22   1HB   PHE   4          2HB       PHE   4  -0.862   2.755   2.564
   23   2HB   PHE   4          1HB       PHE   4  -1.111   4.149   1.515
   24    HD1  PHE   4           1HD      PHE   4  -2.593   1.965   3.946
   25    HD2  PHE   4           2HD      PHE   4  -3.510   4.587   0.671
   26    HE1  PHE   4           1HE      PHE   4  -4.937   2.143   4.742
   27    HE2  PHE   4           2HE      PHE   4  -5.852   4.766   1.466
   28    HZ   PHE   4           HZ       PHE   4  -6.566   3.543   3.503
   29    H    GLY   5           HN       GLY   5   0.800   3.072   1.634
   30   1HA   GLY   5          2HA       GLY   5   2.500   1.462  -0.212
   31   2HA   GLY   5          1HA       GLY   5   3.033   2.924   0.618
   32    H    ALA   6           HN       ALA   6   1.262   1.383   2.888
   33    HA   ALA   6           HA       ALA   6   3.592   0.388   4.252
   34   1HB   ALA   6          1HB       ALA   6   1.535  -0.191   5.869
   35   2HB   ALA   6          2HB       ALA   6   0.755   0.983   4.809
   36   3HB   ALA   6          3HB       ALA   6   2.187   1.442   5.732
   37    H    ILE   7           HN       ILE   7   0.853  -0.857   2.651
   38    HA   ILE   7           HA       ILE   7   1.338  -3.622   3.389
   39    HB   ILE   7           HB       ILE   7  -0.840  -3.723   3.154
   40   1HG1  ILE   7          2HG1      ILE   7  -1.894  -3.051   0.967
   41   2HG1  ILE   7          1HG1      ILE   7  -0.258  -2.645   0.427
   42   1HG2  ILE   7          1HG2      ILE   7  -0.652  -1.378   3.925
   43   2HG2  ILE   7          2HG2      ILE   7  -2.108  -1.711   2.988
   44   3HG2  ILE   7          3HG2      ILE   7  -0.752  -0.872   2.240
   45   1HD1  ILE   7          1HD1      ILE   7   0.061  -4.834  -0.021
   46   2HD1  ILE   7          2HD1      ILE   7  -1.462  -5.273   0.757
   47   3HD1  ILE   7          3HD1      ILE   7   0.008  -5.116   1.718
   48    H    LEU   8           HN       LEU   8   2.101  -1.410   0.959
   49    HA   LEU   8           HA       LEU   8   2.722  -3.497  -1.035
   50   1HB   LEU   8          2HB       LEU   8   1.921  -1.886  -2.376
   51   2HB   LEU   8          1HB       LEU   8   1.810  -0.793  -1.005
   52    HG   LEU   8           HG       LEU   8   3.198   0.179  -2.747
   53   1HD1  LEU   8          1HD1      LEU   8   4.452   1.061  -1.104
   54   2HD1  LEU   8          2HD1      LEU   8   5.381  -0.428  -0.945
   55   3HD1  LEU   8          3HD1      LEU   8   3.876  -0.225  -0.049
   56   1HD2  LEU   8          1HD2      LEU   8   5.514  -1.467  -2.651
   57   2HD2  LEU   8          2HD2      LEU   8   4.445  -1.200  -4.027
   58   3HD2  LEU   8          3HD2      LEU   8   4.143  -2.543  -2.926
   59    H    SER   9           HN       SER   9   4.214  -1.769   1.430
   60    HA   SER   9           HA       SER   9   6.936  -1.936   0.283
   61   1HB   SER   9          2HB       SER   9   7.503  -0.867   2.478
   62   2HB   SER   9          1HB       SER   9   6.261   0.013   1.593
   63    HG   SER   9           HG       SER   9   4.766  -0.667   2.988
   64    H    SER  10           HN       SER  10   5.788  -4.494   0.498
   65    HA   SER  10           HA       SER  10   7.600  -5.746   2.379
   66   1HB   SER  10          2HB       SER  10   5.178  -5.113   3.326
   67   2HB   SER  10          1HB       SER  10   4.764  -6.637   2.547
   68    HG   SER  10           HG       SER  10   6.879  -6.242   4.405
  Start of MODEL    5
    1   1H    SER   1          1HT       SER   1  -5.288  -6.410   6.587
    2   2H    SER   1          2HT       SER   1  -3.848  -5.962   7.369
    3   3H    SER   1          3HT       SER   1  -3.916  -7.399   6.466
    4    HA   SER   1           HA       SER   1  -2.745  -5.637   5.246
    5   1HB   SER   1          2HB       SER   1  -5.444  -6.286   4.045
    6   2HB   SER   1          1HB       SER   1  -3.893  -6.163   3.220
    7    HG   SER   1           HG       SER   1  -4.081  -8.287   3.505
    8    H    ASN   2           HN       ASN   2  -3.390  -3.729   3.710
    9    HA   ASN   2           HA       ASN   2  -5.433  -2.010   4.882
   10   1HB   ASN   2          2HB       ASN   2  -2.511  -1.354   4.481
   11   2HB   ASN   2          1HB       ASN   2  -3.732  -0.155   4.912
   12   1HD2  ASN   2          1HD2      ASN   2  -2.143  -3.140   6.088
   13   2HD2  ASN   2          2HD2      ASN   2  -2.507  -2.877   7.725
   14    H    ASN   3           HN       ASN   3  -3.602  -0.057   2.975
   15    HA   ASN   3           HA       ASN   3  -4.034  -0.864   0.312
   16   1HB   ASN   3          2HB       ASN   3  -6.392   0.038   1.803
   17   2HB   ASN   3          1HB       ASN   3  -6.132   0.980   0.335
   18   1HD2  ASN   3          1HD2      ASN   3  -4.887  -1.205  -1.191
   19   2HD2  ASN   3          2HD2      ASN   3  -6.112  -2.326  -1.529
   20    H    PHE   4           HN       PHE   4  -1.946   0.426   1.271
   21    HA   PHE   4           HA       PHE   4  -2.140   3.158   0.109
   22   1HB   PHE   4          2HB       PHE   4  -0.995   2.540   2.856
   23   2HB   PHE   4          1HB       PHE   4  -1.184   4.136   2.131
   24    HD1  PHE   4           1HD      PHE   4  -2.739   1.570   4.110
   25    HD2  PHE   4           2HD      PHE   4  -3.564   4.907   1.535
   26    HE1  PHE   4           1HE      PHE   4  -5.037   1.714   5.032
   27    HE2  PHE   4           2HE      PHE   4  -5.863   5.052   2.456
   28    HZ   PHE   4           HZ       PHE   4  -6.599   3.455   4.205
   29    H    GLY   5           HN       GLY   5   0.634   2.983   1.907
   30   1HA   GLY   5          2HA       GLY   5   2.167   1.717  -0.325
   31   2HA   GLY   5          1HA       GLY   5   2.752   3.121   0.563
   32    H    ALA   6           HN       ALA   6   1.219   1.319   2.826
   33    HA   ALA   6           HA       ALA   6   3.688   0.324   3.934
   34   1HB   ALA   6          1HB       ALA   6   0.957  -0.033   5.045
   35   2HB   ALA   6          2HB       ALA   6   1.693   1.570   5.005
   36   3HB   ALA   6          3HB       ALA   6   2.461   0.267   5.914
   37    H    ILE   7           HN       ILE   7   0.893  -0.930   2.463
   38    HA   ILE   7           HA       ILE   7   1.240  -3.657   3.322
   39    HB   ILE   7           HB       ILE   7  -0.878  -3.765   2.755
   40   1HG1  ILE   7          2HG1      ILE   7  -1.633  -3.110   0.459
   41   2HG1  ILE   7          1HG1      ILE   7   0.055  -2.704   0.129
   42   1HG2  ILE   7          1HG2      ILE   7  -2.083  -1.761   2.519
   43   2HG2  ILE   7          2HG2      ILE   7  -0.708  -0.935   1.788
   44   3HG2  ILE   7          3HG2      ILE   7  -0.673  -1.368   3.499
   45   1HD1  ILE   7          1HD1      ILE   7   0.499  -4.886  -0.200
   46   2HD1  ILE   7          2HD1      ILE   7  -1.156  -5.315   0.233
   47   3HD1  ILE   7          3HD1      ILE   7   0.077  -5.183   1.486
   48    H    LEU   8           HN       LEU   8   2.527  -1.712   0.899
   49    HA   LEU   8           HA       LEU   8   3.241  -3.927  -0.922
   50   1HB   LEU   8          2HB       LEU   8   4.036  -0.996  -0.834
   51   2HB   LEU   8          1HB       LEU   8   4.339  -2.093  -2.178
   52    HG   LEU   8           HG       LEU   8   2.381  -1.219  -2.963
   53   1HD1  LEU   8          1HD1      LEU   8   1.284  -3.120  -0.879
   54   2HD1  LEU   8          2HD1      LEU   8   1.825  -3.563  -2.491
   55   3HD1  LEU   8          3HD1      LEU   8   0.408  -2.533  -2.286
   56   1HD2  LEU   8          1HD2      LEU   8   0.633  -0.728  -0.823
   57   2HD2  LEU   8          2HD2      LEU   8   1.569   0.466  -1.720
   58   3HD2  LEU   8          3HD2      LEU   8   2.222  -0.233  -0.240
   59    H    SER   9           HN       SER   9   4.318  -3.456   2.034
   60    HA   SER   9           HA       SER   9   7.219  -3.250   1.521
   61   1HB   SER   9          2HB       SER   9   5.331  -2.996   3.731
   62   2HB   SER   9          1HB       SER   9   6.743  -3.946   4.187
   63    HG   SER   9           HG       SER   9   8.019  -2.217   3.297
   64    H    SER  10           HN       SER  10   5.240  -5.687   0.868
   65    HA   SER  10           HA       SER  10   7.230  -7.708   1.445
   66   1HB   SER  10          2HB       SER  10   4.799  -7.302   2.991
   67   2HB   SER  10          1HB       SER  10   4.878  -8.927   2.317
   68    HG   SER  10           HG       SER  10   7.002  -7.664   3.717
  Start of MODEL    6
    1   1H    SER   1          1HT       SER   1  -4.649  -3.864   8.860
    2   2H    SER   1          2HT       SER   1  -3.371  -4.259   7.813
    3   3H    SER   1          3HT       SER   1  -4.355  -5.485   8.458
    4    HA   SER   1           HA       SER   1  -4.968  -5.069   6.155
    5   1HB   SER   1          2HB       SER   1  -7.380  -4.595   6.714
    6   2HB   SER   1          1HB       SER   1  -6.639  -5.805   7.757
    7    HG   SER   1           HG       SER   1  -7.004  -3.041   8.309
    8    H    ASN   2           HN       ASN   2  -4.065  -3.392   4.913
    9    HA   ASN   2           HA       ASN   2  -5.335  -0.775   5.156
   10   1HB   ASN   2          2HB       ASN   2  -2.376  -1.340   4.921
   11   2HB   ASN   2          1HB       ASN   2  -3.089   0.271   4.874
   12   1HD2  ASN   2          1HD2      ASN   2  -1.789  -2.074   6.975
   13   2HD2  ASN   2          2HD2      ASN   2  -2.368  -1.435   8.437
   14    H    ASN   3           HN       ASN   3  -3.759   0.411   3.059
   15    HA   ASN   3           HA       ASN   3  -3.632  -1.210   0.727
   16   1HB   ASN   3          2HB       ASN   3  -6.081  -1.217   1.122
   17   2HB   ASN   3          1HB       ASN   3  -6.079   0.547   1.116
   18   1HD2  ASN   3          1HD2      ASN   3  -5.159   1.550  -0.961
   19   2HD2  ASN   3          2HD2      ASN   3  -5.506   0.765  -2.423
   20    H    PHE   4           HN       PHE   4  -1.712   0.372   1.474
   21    HA   PHE   4           HA       PHE   4  -1.823   2.727  -0.336
   22   1HB   PHE   4          2HB       PHE   4  -0.791   2.885   2.514
   23   2HB   PHE   4          1HB       PHE   4  -1.151   4.220   1.423
   24    HD1  PHE   4           1HD      PHE   4  -2.374   2.237   4.098
   25    HD2  PHE   4           2HD      PHE   4  -3.647   4.366   0.593
   26    HE1  PHE   4           1HE      PHE   4  -4.680   2.353   5.006
   27    HE2  PHE   4           2HE      PHE   4  -5.954   4.481   1.499
   28    HZ   PHE   4           HZ       PHE   4  -6.471   3.475   3.706
   29    H    GLY   5           HN       GLY   5   0.815   3.179   1.541
   30   1HA   GLY   5          2HA       GLY   5   2.503   1.480  -0.224
   31   2HA   GLY   5          1HA       GLY   5   3.051   2.944   0.594
   32    H    ALA   6           HN       ALA   6   1.168   1.350   2.801
   33    HA   ALA   6           HA       ALA   6   3.471   0.405   4.253
   34   1HB   ALA   6          1HB       ALA   6   0.689  -0.008   5.172
   35   2HB   ALA   6          2HB       ALA   6   1.236   1.656   4.963
   36   3HB   ALA   6          3HB       ALA   6   2.078   0.585   6.082
   37    H    ILE   7           HN       ILE   7   0.794  -0.879   2.577
   38    HA   ILE   7           HA       ILE   7   1.293  -3.635   3.348
   39    HB   ILE   7           HB       ILE   7  -0.878  -3.752   3.081
   40   1HG1  ILE   7          2HG1      ILE   7  -1.895  -3.113   0.861
   41   2HG1  ILE   7          1HG1      ILE   7  -0.248  -2.727   0.346
   42   1HG2  ILE   7          1HG2      ILE   7  -2.158  -1.758   2.868
   43   2HG2  ILE   7          2HG2      ILE   7  -0.806  -0.922   2.110
   44   3HG2  ILE   7          3HG2      ILE   7  -0.715  -1.388   3.809
   45   1HD1  ILE   7          1HD1      ILE   7  -1.471  -5.344   0.731
   46   2HD1  ILE   7          2HD1      ILE   7   0.001  -5.163   1.685
   47   3HD1  ILE   7          3HD1      ILE   7   0.049  -4.928  -0.062
   48    H    LEU   8           HN       LEU   8   2.187  -1.442   0.958
   49    HA   LEU   8           HA       LEU   8   2.769  -3.509  -1.061
   50   1HB   LEU   8          2HB       LEU   8   2.154  -1.803  -2.382
   51   2HB   LEU   8          1HB       LEU   8   2.044  -0.752  -0.978
   52    HG   LEU   8           HG       LEU   8   3.581   0.192  -2.598
   53   1HD1  LEU   8          1HD1      LEU   8   5.638  -0.647  -0.747
   54   2HD1  LEU   8          2HD1      LEU   8   4.115  -0.388   0.104
   55   3HD1  LEU   8          3HD1      LEU   8   4.815   0.907  -0.864
   56   1HD2  LEU   8          1HD2      LEU   8   5.769  -1.616  -2.494
   57   2HD2  LEU   8          2HD2      LEU   8   4.775  -1.218  -3.895
   58   3HD2  LEU   8          3HD2      LEU   8   4.340  -2.582  -2.866
   59    H    SER   9           HN       SER   9   4.268  -2.030   1.548
   60    HA   SER   9           HA       SER   9   7.019  -2.270   0.502
   61   1HB   SER   9          2HB       SER   9   6.536  -0.424   1.955
   62   2HB   SER   9          1HB       SER   9   5.742  -1.472   3.129
   63    HG   SER   9           HG       SER   9   7.700  -2.324   3.681
   64    H    SER  10           HN       SER  10   5.400  -3.586   3.420
   65    HA   SER  10           HA       SER  10   6.420  -6.237   2.848
   66   1HB   SER  10          2HB       SER  10   7.567  -4.343   4.809
   67   2HB   SER  10          1HB       SER  10   7.361  -5.996   5.380
   68    HG   SER  10           HG       SER  10   8.497  -6.654   3.463
  Start of MODEL    7
    1   1H    SER   1          1HT       SER   1  -6.140  -4.498   9.152
    2   2H    SER   1          2HT       SER   1  -5.654  -2.874   9.266
    3   3H    SER   1          3HT       SER   1  -4.727  -3.981   8.369
    4    HA   SER   1           HA       SER   1  -6.385  -4.170   6.692
    5   1HB   SER   1          2HB       SER   1  -8.252  -4.261   8.272
    6   2HB   SER   1          1HB       SER   1  -8.009  -2.568   8.695
    7    HG   SER   1           HG       SER   1  -9.142  -2.060   7.008
    8    H    ASN   2           HN       ASN   2  -5.055  -2.919   5.364
    9    HA   ASN   2           HA       ASN   2  -5.419  -0.026   5.478
   10   1HB   ASN   2          2HB       ASN   2  -2.805  -1.537   5.319
   11   2HB   ASN   2          1HB       ASN   2  -2.947   0.211   5.122
   12   1HD2  ASN   2          1HD2      ASN   2  -3.377   1.501   7.023
   13   2HD2  ASN   2          2HD2      ASN   2  -3.332   0.845   8.588
   14    H    ASN   3           HN       ASN   3  -3.835   0.703   3.339
   15    HA   ASN   3           HA       ASN   3  -3.907  -0.982   1.059
   16   1HB   ASN   3          2HB       ASN   3  -6.438  -0.025   1.923
   17   2HB   ASN   3          1HB       ASN   3  -6.039   0.877   0.463
   18   1HD2  ASN   3          1HD2      ASN   3  -5.670  -2.552   1.572
   19   2HD2  ASN   3          2HD2      ASN   3  -6.242  -3.228   0.124
   20    H    PHE   4           HN       PHE   4  -1.908   0.608   1.701
   21    HA   PHE   4           HA       PHE   4  -2.014   2.830  -0.274
   22   1HB   PHE   4          2HB       PHE   4  -0.737   3.162   2.444
   23   2HB   PHE   4          1HB       PHE   4  -1.306   4.412   1.341
   24    HD1  PHE   4           1HD      PHE   4  -2.065   2.531   4.254
   25    HD2  PHE   4           2HD      PHE   4  -3.890   4.380   0.834
   26    HE1  PHE   4           1HE      PHE   4  -4.244   2.582   5.442
   27    HE2  PHE   4           2HE      PHE   4  -6.068   4.433   2.021
   28    HZ   PHE   4           HZ       PHE   4  -6.245   3.533   4.324
   29    H    GLY   5           HN       GLY   5   0.753   3.220   1.468
   30   1HA   GLY   5          2HA       GLY   5   2.259   1.427  -0.362
   31   2HA   GLY   5          1HA       GLY   5   2.925   2.846   0.449
   32    H    ALA   6           HN       ALA   6   1.089   1.386   2.739
   33    HA   ALA   6           HA       ALA   6   3.350   0.313   4.145
   34   1HB   ALA   6          1HB       ALA   6   1.249  -0.333   5.650
   35   2HB   ALA   6          2HB       ALA   6   0.460   0.812   4.564
   36   3HB   ALA   6          3HB       ALA   6   1.827   1.329   5.550
   37    H    ILE   7           HN       ILE   7   0.806  -0.865   2.253
   38    HA   ILE   7           HA       ILE   7   1.018  -3.653   3.021
   39    HB   ILE   7           HB       ILE   7  -1.039  -3.660   2.282
   40   1HG1  ILE   7          2HG1      ILE   7  -1.530  -2.882  -0.078
   41   2HG1  ILE   7          1HG1      ILE   7   0.218  -2.639  -0.222
   42   1HG2  ILE   7          1HG2      ILE   7  -0.689  -0.820   1.402
   43   2HG2  ILE   7          2HG2      ILE   7  -0.874  -1.296   3.093
   44   3HG2  ILE   7          3HG2      ILE   7  -2.164  -1.620   1.937
   45   1HD1  ILE   7          1HD1      ILE   7  -1.283  -5.145  -0.133
   46   2HD1  ILE   7          2HD1      ILE   7  -0.001  -5.085   1.075
   47   3HD1  ILE   7          3HD1      ILE   7   0.383  -4.857  -0.631
   48    H    LEU   8           HN       LEU   8   2.767  -1.603   1.057
   49    HA   LEU   8           HA       LEU   8   3.407  -3.556  -1.051
   50   1HB   LEU   8          2HB       LEU   8   3.863  -0.719  -0.393
   51   2HB   LEU   8          1HB       LEU   8   5.204  -1.494  -1.238
   52    HG   LEU   8           HG       LEU   8   3.695  -2.250  -3.008
   53   1HD1  LEU   8          1HD1      LEU   8   1.314  -1.345  -2.955
   54   2HD1  LEU   8          2HD1      LEU   8   1.590  -0.955  -1.258
   55   3HD1  LEU   8          3HD1      LEU   8   1.658  -2.632  -1.801
   56   1HD2  LEU   8          1HD2      LEU   8   4.629  -0.098  -3.423
   57   2HD2  LEU   8          2HD2      LEU   8   3.550   0.676  -2.263
   58   3HD2  LEU   8          3HD2      LEU   8   2.912   0.062  -3.788
   59    H    SER   9           HN       SER   9   4.186  -3.647   2.080
   60    HA   SER   9           HA       SER   9   6.861  -4.823   1.562
   61   1HB   SER   9          2HB       SER   9   7.957  -3.322   2.969
   62   2HB   SER   9          1HB       SER   9   6.744  -2.269   2.252
   63    HG   SER   9           HG       SER   9   5.415  -2.944   4.133
   64    H    SER  10           HN       SER  10   4.401  -6.145   2.189
   65    HA   SER  10           HA       SER  10   5.154  -7.445   4.667
   66   1HB   SER  10          2HB       SER  10   3.390  -5.345   4.740
   67   2HB   SER  10          1HB       SER  10   2.302  -6.723   4.594
   68    HG   SER  10           HG       SER  10   3.478  -7.653   6.378
  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1  -9.261  -0.619   7.066
    2   2H    SER   1          2HT       SER   1  -8.451  -0.539   8.557
    3   3H    SER   1          3HT       SER   1  -9.477  -1.850   8.213
    4    HA   SER   1           HA       SER   1  -7.127  -2.478   7.991
    5   1HB   SER   1          2HB       SER   1  -7.489  -3.394   5.671
    6   2HB   SER   1          1HB       SER   1  -8.876  -3.608   6.733
    7    HG   SER   1           HG       SER   1  -8.613  -2.136   4.448
    8    H    ASN   2           HN       ASN   2  -5.880  -2.372   5.427
    9    HA   ASN   2           HA       ASN   2  -5.258   0.450   5.035
   10   1HB   ASN   2          2HB       ASN   2  -2.808  -0.243   5.030
   11   2HB   ASN   2          1HB       ASN   2  -3.610  -0.282   6.601
   12   1HD2  ASN   2          1HD2      ASN   2  -2.063  -1.969   7.325
   13   2HD2  ASN   2          2HD2      ASN   2  -2.232  -3.572   6.794
   14    H    ASN   3           HN       ASN   3  -3.839   0.730   3.035
   15    HA   ASN   3           HA       ASN   3  -3.527  -1.246   1.046
   16   1HB   ASN   3          2HB       ASN   3  -6.140  -0.902   1.384
   17   2HB   ASN   3          1HB       ASN   3  -5.861   0.543   0.413
   18   1HD2  ASN   3          1HD2      ASN   3  -3.522  -1.041  -0.919
   19   2HD2  ASN   3          2HD2      ASN   3  -4.317  -2.005  -2.062
   20    H    PHE   4           HN       PHE   4  -1.717   0.533   1.676
   21    HA   PHE   4           HA       PHE   4  -1.790   2.581  -0.485
   22   1HB   PHE   4          2HB       PHE   4  -0.696   3.206   2.255
   23   2HB   PHE   4          1HB       PHE   4  -1.342   4.313   1.049
   24    HD1  PHE   4           1HD      PHE   4  -3.920   3.894   0.454
   25    HD2  PHE   4           2HD      PHE   4  -2.004   2.683   4.104
   26    HE1  PHE   4           1HE      PHE   4  -6.124   3.819   1.585
   27    HE2  PHE   4           2HE      PHE   4  -4.210   2.608   5.233
   28    HZ   PHE   4           HZ       PHE   4  -6.269   3.175   3.975
   29    H    GLY   5           HN       GLY   5   0.820   3.208   1.447
   30   1HA   GLY   5          2HA       GLY   5   2.545   1.452  -0.204
   31   2HA   GLY   5          1HA       GLY   5   3.077   2.915   0.623
   32    H    ALA   6           HN       ALA   6   1.132   1.360   2.793
   33    HA   ALA   6           HA       ALA   6   3.389   0.403   4.304
   34   1HB   ALA   6          1HB       ALA   6   1.839   0.342   6.100
   35   2HB   ALA   6          2HB       ALA   6   0.482   0.167   4.987
   36   3HB   ALA   6          3HB       ALA   6   1.332   1.708   5.105
   37    H    ILE   7           HN       ILE   7   0.759  -0.881   2.553
   38    HA   ILE   7           HA       ILE   7   1.270  -3.645   3.304
   39    HB   ILE   7           HB       ILE   7  -0.895  -3.775   3.036
   40   1HG1  ILE   7          2HG1      ILE   7  -1.919  -3.106   0.821
   41   2HG1  ILE   7          1HG1      ILE   7  -0.265  -2.730   0.313
   42   1HG2  ILE   7          1HG2      ILE   7  -2.196  -1.804   2.871
   43   2HG2  ILE   7          2HG2      ILE   7  -0.876  -0.941   2.088
   44   3HG2  ILE   7          3HG2      ILE   7  -0.739  -1.410   3.783
   45   1HD1  ILE   7          1HD1      ILE   7  -0.007  -4.935  -0.119
   46   2HD1  ILE   7          2HD1      ILE   7  -1.510  -5.343   0.710
   47   3HD1  ILE   7          3HD1      ILE   7  -0.016  -5.167   1.630
   48    H    LEU   8           HN       LEU   8   2.214  -1.418   0.973
   49    HA   LEU   8           HA       LEU   8   2.743  -3.426  -1.118
   50   1HB   LEU   8          2HB       LEU   8   2.205  -1.635  -2.358
   51   2HB   LEU   8          1HB       LEU   8   2.133  -0.646  -0.908
   52    HG   LEU   8           HG       LEU   8   3.711   0.313  -2.472
   53   1HD1  LEU   8          1HD1      LEU   8   5.742  -0.692  -0.694
   54   2HD1  LEU   8          2HD1      LEU   8   4.235  -0.465   0.194
   55   3HD1  LEU   8          3HD1      LEU   8   4.949   0.882  -0.689
   56   1HD2  LEU   8          1HD2      LEU   8   4.815  -1.093  -3.852
   57   2HD2  LEU   8          2HD2      LEU   8   4.365  -2.483  -2.865
   58   3HD2  LEU   8          3HD2      LEU   8   5.826  -1.568  -2.487
   59    H    SER   9           HN       SER   9   4.256  -2.253   1.616
   60    HA   SER   9           HA       SER   9   6.827  -3.477   0.773
   61   1HB   SER   9          2HB       SER   9   6.274  -0.608   1.229
   62   2HB   SER   9          1HB       SER   9   7.696  -1.221   2.068
   63    HG   SER   9           HG       SER   9   7.895  -0.446  -0.223
   64    H    SER  10           HN       SER  10   5.760  -1.425   3.508
   65    HA   SER  10           HA       SER  10   5.786  -3.695   5.309
   66   1HB   SER  10          2HB       SER  10   7.958  -1.723   5.016
   67   2HB   SER  10          1HB       SER  10   7.465  -2.037   6.678
   68    HG   SER  10           HG       SER  10   8.962  -3.572   6.200
  Start of MODEL    9
    1   1H    SER   1          1HT       SER   1  -5.679  -3.720   8.109
    2   2H    SER   1          2HT       SER   1  -4.730  -4.708   7.105
    3   3H    SER   1          3HT       SER   1  -6.062  -5.362   7.931
    4    HA   SER   1           HA       SER   1  -6.476  -4.936   5.515
    5   1HB   SER   1          2HB       SER   1  -8.678  -3.815   6.115
    6   2HB   SER   1          1HB       SER   1  -8.271  -5.218   7.098
    7    HG   SER   1           HG       SER   1  -8.237  -2.487   7.736
    8    H    ASN   2           HN       ASN   2  -4.427  -3.383   5.170
    9    HA   ASN   2           HA       ASN   2  -5.226  -0.579   5.104
   10   1HB   ASN   2          2HB       ASN   2  -2.635  -2.087   4.889
   11   2HB   ASN   2          1HB       ASN   2  -2.726  -0.363   4.530
   12   1HD2  ASN   2          1HD2      ASN   2  -3.706  -2.665   7.136
   13   2HD2  ASN   2          2HD2      ASN   2  -3.390  -1.586   8.407
   14    H    ASN   3           HN       ASN   3  -3.720   0.359   3.000
   15    HA   ASN   3           HA       ASN   3  -3.846  -1.107   0.579
   16   1HB   ASN   3          2HB       ASN   3  -6.268  -0.998   0.984
   17   2HB   ASN   3          1HB       ASN   3  -6.170   0.747   1.206
   18   1HD2  ASN   3          1HD2      ASN   3  -4.079  -0.491  -1.270
   19   2HD2  ASN   3          2HD2      ASN   3  -5.030  -0.026  -2.593
   20    H    PHE   4           HN       PHE   4  -1.843   0.421   1.504
   21    HA   PHE   4           HA       PHE   4  -1.870   2.807  -0.278
   22   1HB   PHE   4          2HB       PHE   4  -0.702   2.923   2.502
   23   2HB   PHE   4          1HB       PHE   4  -1.286   4.246   1.500
   24    HD1  PHE   4           1HD      PHE   4  -3.876   4.143   0.916
   25    HD2  PHE   4           2HD      PHE   4  -2.031   2.140   4.237
   26    HE1  PHE   4           1HE      PHE   4  -6.073   4.018   2.061
   27    HE2  PHE   4           2HE      PHE   4  -4.226   2.013   5.381
   28    HZ   PHE   4           HZ       PHE   4  -6.248   2.953   4.294
   29    H    GLY   5           HN       GLY   5   0.810   3.109   1.576
   30   1HA   GLY   5          2HA       GLY   5   2.393   1.359  -0.240
   31   2HA   GLY   5          1HA       GLY   5   3.004   2.831   0.515
   32    H    ALA   6           HN       ALA   6   1.195   1.343   2.848
   33    HA   ALA   6           HA       ALA   6   3.529   0.424   4.251
   34   1HB   ALA   6          1HB       ALA   6   1.997   0.225   6.104
   35   2HB   ALA   6          2HB       ALA   6   0.625   0.220   4.994
   36   3HB   ALA   6          3HB       ALA   6   1.578   1.689   5.213
   37    H    ILE   7           HN       ILE   7   0.860  -0.953   2.631
   38    HA   ILE   7           HA       ILE   7   1.478  -3.685   3.402
   39    HB   ILE   7           HB       ILE   7  -0.690  -3.889   3.182
   40   1HG1  ILE   7          2HG1      ILE   7  -1.780  -3.305   0.983
   41   2HG1  ILE   7          1HG1      ILE   7  -0.160  -2.857   0.433
   42   1HG2  ILE   7          1HG2      ILE   7  -0.597  -1.506   3.886
   43   2HG2  ILE   7          2HG2      ILE   7  -2.057  -1.960   3.007
   44   3HG2  ILE   7          3HG2      ILE   7  -0.778  -1.067   2.187
   45   1HD1  ILE   7          1HD1      ILE   7   0.219  -5.273   1.772
   46   2HD1  ILE   7          2HD1      ILE   7   0.207  -5.048   0.023
   47   3HD1  ILE   7          3HD1      ILE   7  -1.270  -5.518   0.862
   48    H    LEU   8           HN       LEU   8   2.213  -1.464   0.987
   49    HA   LEU   8           HA       LEU   8   2.738  -3.439  -1.139
   50   1HB   LEU   8          2HB       LEU   8   2.590  -0.520  -0.775
   51   2HB   LEU   8          1HB       LEU   8   3.812  -1.045  -1.934
   52    HG   LEU   8           HG       LEU   8   2.127  -2.372  -3.133
   53   1HD1  LEU   8          1HD1      LEU   8   0.439  -1.475  -0.817
   54   2HD1  LEU   8          2HD1      LEU   8   0.563  -3.074  -1.550
   55   3HD1  LEU   8          3HD1      LEU   8  -0.327  -1.794  -2.373
   56   1HD2  LEU   8          1HD2      LEU   8   0.783   0.273  -2.768
   57   2HD2  LEU   8          2HD2      LEU   8   1.220  -0.566  -4.257
   58   3HD2  LEU   8          3HD2      LEU   8   2.457   0.270  -3.319
   59    H    SER   9           HN       SER   9   4.327  -2.995   1.627
   60    HA   SER   9           HA       SER   9   6.971  -3.553   0.396
   61   1HB   SER   9          2HB       SER   9   6.472  -1.362   2.437
   62   2HB   SER   9          1HB       SER   9   8.024  -1.775   1.714
   63    HG   SER   9           HG       SER   9   5.767  -0.547   0.575
   64    H    SER  10           HN       SER  10   5.276  -5.348   1.770
   65    HA   SER  10           HA       SER  10   6.967  -6.053   4.019
   66   1HB   SER  10          2HB       SER  10   4.817  -4.497   4.515
   67   2HB   SER  10          1HB       SER  10   4.057  -6.083   4.596
   68    HG   SER  10           HG       SER  10   4.989  -5.256   6.605
  Start of MODEL   10
    1   1H    SER   1          1HT       SER   1  -7.278  -5.558   6.500
    2   2H    SER   1          2HT       SER   1  -8.765  -5.972   5.789
    3   3H    SER   1          3HT       SER   1  -8.415  -4.349   6.149
    4    HA   SER   1           HA       SER   1  -6.902  -5.984   4.175
    5   1HB   SER   1          2HB       SER   1  -9.287  -4.141   4.023
    6   2HB   SER   1          1HB       SER   1  -8.244  -4.383   2.626
    7    HG   SER   1           HG       SER   1 -10.212  -5.879   3.288
    8    H    ASN   2           HN       ASN   2  -6.327  -3.888   2.502
    9    HA   ASN   2           HA       ASN   2  -5.135  -1.784   4.140
   10   1HB   ASN   2          2HB       ASN   2  -2.990  -2.136   2.957
   11   2HB   ASN   2          1HB       ASN   2  -3.488  -3.586   3.827
   12   1HD2  ASN   2          1HD2      ASN   2  -2.670  -2.342   0.715
   13   2HD2  ASN   2          2HD2      ASN   2  -3.094  -3.716  -0.189
   14    H    ASN   3           HN       ASN   3  -3.863  -0.289   2.288
   15    HA   ASN   3           HA       ASN   3  -4.985  -0.018  -0.290
   16   1HB   ASN   3          2HB       ASN   3  -6.781   0.637   1.839
   17   2HB   ASN   3          1HB       ASN   3  -6.350   2.142   1.028
   18   1HD2  ASN   3          1HD2      ASN   3  -6.630  -1.131  -0.433
   19   2HD2  ASN   3          2HD2      ASN   3  -7.867  -0.707  -1.515
   20    H    PHE   4           HN       PHE   4  -2.503   0.437   1.174
   21    HA   PHE   4           HA       PHE   4  -1.973   3.237   0.363
   22   1HB   PHE   4          2HB       PHE   4  -0.624   2.392   2.814
   23   2HB   PHE   4          1HB       PHE   4  -1.582   3.839   2.523
   24    HD1  PHE   4           1HD      PHE   4  -4.053   3.785   2.832
   25    HD2  PHE   4           2HD      PHE   4  -1.559   0.439   3.851
   26    HE1  PHE   4           1HE      PHE   4  -5.900   2.822   4.178
   27    HE2  PHE   4           2HE      PHE   4  -3.407  -0.525   5.195
   28    HZ   PHE   4           HZ       PHE   4  -5.576   0.665   5.360
   29    H    GLY   5           HN       GLY   5   0.716   2.979   1.557
   30   1HA   GLY   5          2HA       GLY   5   1.814   0.859  -0.239
   31   2HA   GLY   5          1HA       GLY   5   2.626   2.402   0.035
   32    H    ALA   6           HN       ALA   6   1.018   0.875   2.713
   33    HA   ALA   6           HA       ALA   6   3.517   0.650   4.128
   34   1HB   ALA   6          1HB       ALA   6   2.081   0.217   6.028
   35   2HB   ALA   6          2HB       ALA   6   0.734  -0.139   4.945
   36   3HB   ALA   6          3HB       ALA   6   1.357   1.507   5.068
   37    H    ILE   7           HN       ILE   7   1.203  -1.419   2.711
   38    HA   ILE   7           HA       ILE   7   2.477  -3.867   3.621
   39    HB   ILE   7           HB       ILE   7   0.413  -4.588   3.556
   40   1HG1  ILE   7          2HG1      ILE   7  -0.916  -4.425   1.425
   41   2HG1  ILE   7          1HG1      ILE   7   0.502  -3.627   0.732
   42   1HG2  ILE   7          1HG2      ILE   7  -0.477  -1.975   2.415
   43   2HG2  ILE   7          2HG2      ILE   7   0.038  -2.153   4.096
   44   3HG2  ILE   7          3HG2      ILE   7  -1.348  -3.057   3.497
   45   1HD1  ILE   7          1HD1      ILE   7   1.532  -5.807   2.155
   46   2HD1  ILE   7          2HD1      ILE   7   1.405  -5.668   0.402
   47   3HD1  ILE   7          3HD1      ILE   7   0.117  -6.446   1.320
   48    H    LEU   8           HN       LEU   8   2.509  -1.740   1.012
   49    HA   LEU   8           HA       LEU   8   3.409  -3.700  -0.997
   50   1HB   LEU   8          2HB       LEU   8   2.548  -0.889  -0.828
   51   2HB   LEU   8          1HB       LEU   8   3.809  -1.189  -2.028
   52    HG   LEU   8           HG       LEU   8   2.461  -2.992  -3.014
   53   1HD1  LEU   8          1HD1      LEU   8   0.025  -3.108  -2.184
   54   2HD1  LEU   8          2HD1      LEU   8   0.604  -2.274  -0.741
   55   3HD1  LEU   8          3HD1      LEU   8   1.252  -3.859  -1.164
   56   1HD2  LEU   8          1HD2      LEU   8   1.145  -0.298  -2.641
   57   2HD2  LEU   8          2HD2      LEU   8   0.473  -1.521  -3.719
   58   3HD2  LEU   8          3HD2      LEU   8   2.085  -0.870  -4.019
   59    H    SER   9           HN       SER   9   4.975  -2.617   1.615
   60    HA   SER   9           HA       SER   9   7.609  -2.657   0.251
   61   1HB   SER   9          2HB       SER   9   7.072  -0.317   0.239
   62   2HB   SER   9          1HB       SER   9   6.465  -0.382   1.891
   63    HG   SER   9           HG       SER   9   8.805   0.332   1.268
   64    H    SER  10           HN       SER  10   6.692  -1.564   3.513
   65    HA   SER  10           HA       SER  10   8.524  -3.466   4.690
   66   1HB   SER  10          2HB       SER  10   7.658  -2.232   6.791
   67   2HB   SER  10          1HB       SER  10   8.554  -1.288   5.603
   68    HG   SER  10           HG       SER  10   6.629  -0.239   6.171
  Start of MODEL   11
    1   1H    SER   1          1HT       SER   1  -6.502  -6.266   5.877
    2   2H    SER   1          2HT       SER   1  -6.120  -5.085   4.717
    3   3H    SER   1          3HT       SER   1  -7.502  -4.909   5.692
    4    HA   SER   1           HA       SER   1  -6.168  -4.587   7.651
    5   1HB   SER   1          2HB       SER   1  -4.016  -5.364   5.674
    6   2HB   SER   1          1HB       SER   1  -3.636  -4.605   7.217
    7    HG   SER   1           HG       SER   1  -4.464  -6.337   8.273
    8    H    ASN   2           HN       ASN   2  -4.511  -3.513   4.660
    9    HA   ASN   2           HA       ASN   2  -5.420  -0.790   5.182
   10   1HB   ASN   2          2HB       ASN   2  -2.561  -1.638   4.685
   11   2HB   ASN   2          1HB       ASN   2  -3.104   0.023   4.917
   12   1HD2  ASN   2          1HD2      ASN   2  -1.435  -2.135   6.595
   13   2HD2  ASN   2          2HD2      ASN   2  -2.050  -1.903   8.161
   14    H    ASN   3           HN       ASN   3  -3.682   0.291   3.092
   15    HA   ASN   3           HA       ASN   3  -3.868  -1.082   0.623
   16   1HB   ASN   3          2HB       ASN   3  -6.362  -0.300   1.645
   17   2HB   ASN   3          1HB       ASN   3  -5.989   0.916   0.426
   18   1HD2  ASN   3          1HD2      ASN   3  -5.179  -2.596   0.507
   19   2HD2  ASN   3          2HD2      ASN   3  -5.947  -2.956  -0.963
   20    H    PHE   4           HN       PHE   4  -1.842   0.401   1.480
   21    HA   PHE   4           HA       PHE   4  -1.895   2.820  -0.249
   22   1HB   PHE   4          2HB       PHE   4  -0.778   2.845   2.569
   23   2HB   PHE   4          1HB       PHE   4  -1.169   4.225   1.546
   24    HD1  PHE   4           1HD      PHE   4  -3.676   4.491   0.863
   25    HD2  PHE   4           2HD      PHE   4  -2.320   2.076   4.144
   26    HE1  PHE   4           1HE      PHE   4  -5.946   4.576   1.862
   27    HE2  PHE   4           2HE      PHE   4  -4.588   2.159   5.144
   28    HZ   PHE   4           HZ       PHE   4  -6.402   3.410   4.002
   29    H    GLY   5           HN       GLY   5   0.802   3.110   1.573
   30   1HA   GLY   5          2HA       GLY   5   2.372   1.379  -0.274
   31   2HA   GLY   5          1HA       GLY   5   2.991   2.836   0.504
   32    H    ALA   6           HN       ALA   6   1.206   1.371   2.842
   33    HA   ALA   6           HA       ALA   6   3.531   0.382   4.213
   34   1HB   ALA   6          1HB       ALA   6   1.564  -0.189   5.872
   35   2HB   ALA   6          2HB       ALA   6   0.639   0.816   4.757
   36   3HB   ALA   6          3HB       ALA   6   2.034   1.489   5.603
   37    H    ILE   7           HN       ILE   7   0.847  -0.899   2.558
   38    HA   ILE   7           HA       ILE   7   1.313  -3.659   3.329
   39    HB   ILE   7           HB       ILE   7  -0.843  -3.778   2.956
   40   1HG1  ILE   7          2HG1      ILE   7  -1.762  -3.113   0.704
   41   2HG1  ILE   7          1HG1      ILE   7  -0.094  -2.719   0.265
   42   1HG2  ILE   7          1HG2      ILE   7  -0.755  -0.940   2.010
   43   2HG2  ILE   7          2HG2      ILE   7  -0.688  -1.409   3.710
   44   3HG2  ILE   7          3HG2      ILE   7  -2.113  -1.790   2.743
   45   1HD1  ILE   7          1HD1      ILE   7  -1.325  -5.340   0.552
   46   2HD1  ILE   7          2HD1      ILE   7   0.088  -5.173   1.592
   47   3HD1  ILE   7          3HD1      ILE   7   0.235  -4.913  -0.147
   48    H    LEU   8           HN       LEU   8   2.304  -1.470   0.977
   49    HA   LEU   8           HA       LEU   8   2.874  -3.457  -1.121
   50   1HB   LEU   8          2HB       LEU   8   2.881  -0.537  -0.725
   51   2HB   LEU   8          1HB       LEU   8   4.158  -1.124  -1.792
   52    HG   LEU   8           HG       LEU   8   2.498  -2.330  -3.144
   53   1HD1  LEU   8          1HD1      LEU   8   0.651  -1.312  -0.991
   54   2HD1  LEU   8          2HD1      LEU   8   0.796  -2.946  -1.640
   55   3HD1  LEU   8          3HD1      LEU   8   0.033  -1.681  -2.603
   56   1HD2  LEU   8          1HD2      LEU   8   1.376   0.437  -2.777
   57   2HD2  LEU   8          2HD2      LEU   8   1.678  -0.450  -4.271
   58   3HD2  LEU   8          3HD2      LEU   8   3.028   0.228  -3.360
   59    H    SER   9           HN       SER   9   4.311  -2.864   1.788
   60    HA   SER   9           HA       SER   9   6.935  -3.855   0.828
   61   1HB   SER   9          2HB       SER   9   6.320  -1.119   1.585
   62   2HB   SER   9          1HB       SER   9   7.545  -1.798   2.651
   63    HG   SER   9           HG       SER   9   8.461  -0.882   0.768
   64    H    SER  10           HN       SER  10   4.821  -5.052   2.442
   65    HA   SER  10           HA       SER  10   5.659  -4.928   5.205
   66   1HB   SER  10          2HB       SER  10   3.829  -6.642   5.419
   67   2HB   SER  10          1HB       SER  10   3.316  -5.151   4.637
   68    HG   SER  10           HG       SER  10   3.793  -7.693   3.552
  Start of MODEL   12
    1   1H    SER   1          1HT       SER   1  -6.394  -6.413   3.854
    2   2H    SER   1          2HT       SER   1  -6.979  -6.346   5.447
    3   3H    SER   1          3HT       SER   1  -5.871  -7.552   4.997
    4    HA   SER   1           HA       SER   1  -4.789  -5.774   6.279
    5   1HB   SER   1          2HB       SER   1  -3.980  -5.819   3.362
    6   2HB   SER   1          1HB       SER   1  -2.927  -5.710   4.769
    7    HG   SER   1           HG       SER   1  -3.177  -7.803   5.137
    8    H    ASN   2           HN       ASN   2  -3.481  -3.702   4.660
    9    HA   ASN   2           HA       ASN   2  -5.608  -1.713   4.736
   10   1HB   ASN   2          2HB       ASN   2  -2.592  -1.551   4.748
   11   2HB   ASN   2          1HB       ASN   2  -3.648  -0.141   4.828
   12   1HD2  ASN   2          1HD2      ASN   2  -2.456  -2.924   6.640
   13   2HD2  ASN   2          2HD2      ASN   2  -3.134  -2.473   8.130
   14    H    ASN   3           HN       ASN   3  -3.680   0.005   2.983
   15    HA   ASN   3           HA       ASN   3  -3.401  -1.081   0.395
   16   1HB   ASN   3          2HB       ASN   3  -6.111  -0.822   1.178
   17   2HB   ASN   3          1HB       ASN   3  -5.814   0.502   0.058
   18   1HD2  ASN   3          1HD2      ASN   3  -5.115  -3.035   0.319
   19   2HD2  ASN   3          2HD2      ASN   3  -5.348  -3.346  -1.332
   20    H    PHE   4           HN       PHE   4  -1.658   0.511   1.173
   21    HA   PHE   4           HA       PHE   4  -2.194   3.183   0.002
   22   1HB   PHE   4          2HB       PHE   4  -1.060   2.706   2.768
   23   2HB   PHE   4          1HB       PHE   4  -1.348   4.277   2.024
   24    HD1  PHE   4           1HD      PHE   4  -3.805   4.717   1.211
   25    HD2  PHE   4           2HD      PHE   4  -2.712   1.742   4.108
   26    HE1  PHE   4           1HE      PHE   4  -6.135   4.693   2.062
   27    HE2  PHE   4           2HE      PHE   4  -5.041   1.717   4.961
   28    HZ   PHE   4           HZ       PHE   4  -6.753   3.194   3.937
   29    H    GLY   5           HN       GLY   5   0.459   2.601   2.043
   30   1HA   GLY   5          2HA       GLY   5   2.257   1.927  -0.222
   31   2HA   GLY   5          1HA       GLY   5   2.638   3.315   0.794
   32    H    ALA   6           HN       ALA   6   1.208   1.219   2.884
   33    HA   ALA   6           HA       ALA   6   3.764   0.306   3.901
   34   1HB   ALA   6          1HB       ALA   6   2.353   1.516   5.383
   35   2HB   ALA   6          2HB       ALA   6   2.305  -0.171   5.897
   36   3HB   ALA   6          3HB       ALA   6   0.976   0.501   4.952
   37    H    ILE   7           HN       ILE   7   0.866  -0.931   2.627
   38    HA   ILE   7           HA       ILE   7   1.294  -3.663   3.462
   39    HB   ILE   7           HB       ILE   7  -0.877  -3.720   3.205
   40   1HG1  ILE   7          2HG1      ILE   7  -1.890  -3.117   0.973
   41   2HG1  ILE   7          1HG1      ILE   7  -0.228  -2.855   0.431
   42   1HG2  ILE   7          1HG2      ILE   7  -0.624  -1.332   3.831
   43   2HG2  ILE   7          2HG2      ILE   7  -2.085  -1.689   2.912
   44   3HG2  ILE   7          3HG2      ILE   7  -0.712  -0.927   2.115
   45   1HD1  ILE   7          1HD1      ILE   7  -1.594  -5.373   0.971
   46   2HD1  ILE   7          2HD1      ILE   7  -0.100  -5.222   1.894
   47   3HD1  ILE   7          3HD1      ILE   7  -0.067  -5.092   0.136
   48    H    LEU   8           HN       LEU   8   2.375  -1.718   0.958
   49    HA   LEU   8           HA       LEU   8   2.706  -3.861  -1.036
   50   1HB   LEU   8          2HB       LEU   8   3.826  -1.041  -0.931
   51   2HB   LEU   8          1HB       LEU   8   3.698  -2.062  -2.360
   52    HG   LEU   8           HG       LEU   8   1.803  -0.744  -2.612
   53   1HD1  LEU   8          1HD1      LEU   8   0.922  -3.037  -0.843
   54   2HD1  LEU   8          2HD1      LEU   8   0.999  -3.019  -2.599
   55   3HD1  LEU   8          3HD1      LEU   8  -0.185  -2.020  -1.758
   56   1HD2  LEU   8          1HD2      LEU   8   0.910   0.528  -0.965
   57   2HD2  LEU   8          2HD2      LEU   8   2.314   0.014  -0.037
   58   3HD2  LEU   8          3HD2      LEU   8   0.779  -0.829   0.152
   59    H    SER   9           HN       SER   9   4.277  -3.255   1.805
   60    HA   SER   9           HA       SER   9   7.039  -3.602   0.801
   61   1HB   SER   9          2HB       SER   9   7.570  -3.355   3.203
   62   2HB   SER   9          1HB       SER   9   6.483  -2.075   2.668
   63    HG   SER   9           HG       SER   9   4.918  -2.904   3.842
   64    H    SER  10           HN       SER  10   4.826  -5.378   3.000
   65    HA   SER  10           HA       SER  10   5.828  -7.900   1.974
   66   1HB   SER  10          2HB       SER  10   7.476  -7.517   3.637
   67   2HB   SER  10          1HB       SER  10   6.291  -6.843   4.753
   68    HG   SER  10           HG       SER  10   7.032  -9.428   4.334
  Start of MODEL   13
    1   1H    SER   1          1HT       SER   1  -4.037  -4.417   7.101
    2   2H    SER   1          2HT       SER   1  -4.053  -5.291   5.644
    3   3H    SER   1          3HT       SER   1  -4.618  -6.009   7.075
    4    HA   SER   1           HA       SER   1  -6.426  -5.264   5.544
    5   1HB   SER   1          2HB       SER   1  -5.959  -4.896   8.378
    6   2HB   SER   1          1HB       SER   1  -7.094  -3.683   7.793
    7    HG   SER   1           HG       SER   1  -8.357  -5.343   6.947
    8    H    ASN   2           HN       ASN   2  -3.960  -3.341   5.229
    9    HA   ASN   2           HA       ASN   2  -5.362  -0.789   5.110
   10   1HB   ASN   2          2HB       ASN   2  -2.476  -1.640   4.937
   11   2HB   ASN   2          1HB       ASN   2  -2.989   0.032   4.720
   12   1HD2  ASN   2          1HD2      ASN   2  -3.316   1.261   6.602
   13   2HD2  ASN   2          2HD2      ASN   2  -3.336   0.617   8.173
   14    H    ASN   3           HN       ASN   3  -3.705   0.325   3.028
   15    HA   ASN   3           HA       ASN   3  -3.681  -1.201   0.639
   16   1HB   ASN   3          2HB       ASN   3  -6.113  -1.196   0.960
   17   2HB   ASN   3          1HB       ASN   3  -6.104   0.555   1.153
   18   1HD2  ASN   3          1HD2      ASN   3  -3.882  -0.642  -1.232
   19   2HD2  ASN   3          2HD2      ASN   3  -4.807  -0.240  -2.592
   20    H    PHE   4           HN       PHE   4  -1.743   0.382   1.485
   21    HA   PHE   4           HA       PHE   4  -1.830   2.743  -0.323
   22   1HB   PHE   4          2HB       PHE   4  -0.764   2.895   2.509
   23   2HB   PHE   4          1HB       PHE   4  -1.201   4.225   1.441
   24    HD1  PHE   4           1HD      PHE   4  -2.278   2.154   4.117
   25    HD2  PHE   4           2HD      PHE   4  -3.722   4.315   0.699
   26    HE1  PHE   4           1HE      PHE   4  -4.559   2.169   5.091
   27    HE2  PHE   4           2HE      PHE   4  -6.004   4.332   1.670
   28    HZ   PHE   4           HZ       PHE   4  -6.422   3.258   3.868
   29    H    GLY   5           HN       GLY   5   0.816   3.144   1.571
   30   1HA   GLY   5          2HA       GLY   5   2.482   1.445  -0.220
   31   2HA   GLY   5          1HA       GLY   5   3.043   2.914   0.582
   32    H    ALA   6           HN       ALA   6   1.200   1.352   2.833
   33    HA   ALA   6           HA       ALA   6   3.518   0.411   4.258
   34   1HB   ALA   6          1HB       ALA   6   0.727   0.008   5.181
   35   2HB   ALA   6          2HB       ALA   6   1.314   1.663   5.008
   36   3HB   ALA   6          3HB       ALA   6   2.129   0.547   6.105
   37    H    ILE   7           HN       ILE   7   0.827  -0.896   2.621
   38    HA   ILE   7           HA       ILE   7   1.363  -3.646   3.384
   39    HB   ILE   7           HB       ILE   7  -0.809  -3.796   3.134
   40   1HG1  ILE   7          2HG1      ILE   7  -1.865  -3.157   0.937
   41   2HG1  ILE   7          1HG1      ILE   7  -0.234  -2.720   0.404
   42   1HG2  ILE   7          1HG2      ILE   7  -0.813  -0.959   2.187
   43   2HG2  ILE   7          2HG2      ILE   7  -0.650  -1.428   3.879
   44   3HG2  ILE   7          3HG2      ILE   7  -2.119  -1.826   2.989
   45   1HD1  ILE   7          1HD1      ILE   7  -1.384  -5.371   0.742
   46   2HD1  ILE   7          2HD1      ILE   7   0.075  -5.176   1.712
   47   3HD1  ILE   7          3HD1      ILE   7   0.132  -4.904  -0.029
   48    H    LEU   8           HN       LEU   8   2.109  -1.436   0.950
   49    HA   LEU   8           HA       LEU   8   2.780  -3.518  -1.031
   50   1HB   LEU   8          2HB       LEU   8   1.975  -1.915  -2.381
   51   2HB   LEU   8          1HB       LEU   8   1.835  -0.824  -1.012
   52    HG   LEU   8           HG       LEU   8   3.233   0.166  -2.734
   53   1HD1  LEU   8          1HD1      LEU   8   3.887  -0.237  -0.029
   54   2HD1  LEU   8          2HD1      LEU   8   4.455   1.060  -1.075
   55   3HD1  LEU   8          3HD1      LEU   8   5.403  -0.417  -0.912
   56   1HD2  LEU   8          1HD2      LEU   8   5.565  -1.452  -2.619
   57   2HD2  LEU   8          2HD2      LEU   8   4.504  -1.202  -4.004
   58   3HD2  LEU   8          3HD2      LEU   8   4.210  -2.546  -2.903
   59    H    SER   9           HN       SER   9   4.220  -1.781   1.456
   60    HA   SER   9           HA       SER   9   6.957  -1.894   0.345
   61   1HB   SER   9          2HB       SER   9   6.162   0.011   1.705
   62   2HB   SER   9          1HB       SER   9   5.838  -1.081   3.049
   63    HG   SER   9           HG       SER   9   8.366  -0.689   1.811
   64    H    SER  10           HN       SER  10   5.198  -3.304   3.131
   65    HA   SER  10           HA       SER  10   6.726  -5.752   2.876
   66   1HB   SER  10          2HB       SER  10   7.256  -3.635   4.831
   67   2HB   SER  10          1HB       SER  10   7.053  -5.223   5.564
   68    HG   SER  10           HG       SER  10   8.891  -4.395   3.576
  Start of MODEL   14
    1   1H    SER   1          1HT       SER   1  -3.307  -5.775   4.247
    2   2H    SER   1          2HT       SER   1  -4.979  -5.721   3.956
    3   3H    SER   1          3HT       SER   1  -4.290  -7.074   4.716
    4    HA   SER   1           HA       SER   1  -5.280  -5.866   6.462
    5   1HB   SER   1          2HB       SER   1  -3.157  -6.641   7.123
    6   2HB   SER   1          1HB       SER   1  -2.314  -5.532   6.046
    7    HG   SER   1           HG       SER   1  -2.508  -5.095   8.469
    8    H    ASN   2           HN       ASN   2  -3.581  -3.798   4.166
    9    HA   ASN   2           HA       ASN   2  -5.174  -1.536   5.104
   10   1HB   ASN   2          2HB       ASN   2  -2.201  -1.683   4.626
   11   2HB   ASN   2          1HB       ASN   2  -3.057  -0.151   4.783
   12   1HD2  ASN   2          1HD2      ASN   2  -1.400  -2.497   6.562
   13   2HD2  ASN   2          2HD2      ASN   2  -2.008  -2.125   8.103
   14    H    ASN   3           HN       ASN   3  -3.754   0.218   3.145
   15    HA   ASN   3           HA       ASN   3  -4.023  -0.947   0.539
   16   1HB   ASN   3          2HB       ASN   3  -5.992   0.695   0.022
   17   2HB   ASN   3          1HB       ASN   3  -6.342  -0.843   0.804
   18   1HD2  ASN   3          1HD2      ASN   3  -7.068   2.394   0.992
   19   2HD2  ASN   3          2HD2      ASN   3  -7.443   2.504   2.644
   20    H    PHE   4           HN       PHE   4  -1.885   0.413   1.464
   21    HA   PHE   4           HA       PHE   4  -1.940   2.906  -0.141
   22   1HB   PHE   4          2HB       PHE   4  -0.777   2.832   2.647
   23   2HB   PHE   4          1HB       PHE   4  -1.250   4.238   1.699
   24    HD1  PHE   4           1HD      PHE   4  -3.769   4.562   1.200
   25    HD2  PHE   4           2HD      PHE   4  -2.284   1.816   4.152
   26    HE1  PHE   4           1HE      PHE   4  -5.984   4.554   2.310
   27    HE2  PHE   4           2HE      PHE   4  -4.498   1.810   5.260
   28    HZ   PHE   4           HZ       PHE   4  -6.350   3.176   4.339
   29    H    GLY   5           HN       GLY   5   0.783   3.227   1.533
   30   1HA   GLY   5          2HA       GLY   5   2.299   1.435  -0.299
   31   2HA   GLY   5          1HA       GLY   5   2.948   2.895   0.448
   32    H    ALA   6           HN       ALA   6   1.109   1.307   2.722
   33    HA   ALA   6           HA       ALA   6   3.428   0.427   4.180
   34   1HB   ALA   6          1HB       ALA   6   1.312   1.649   4.980
   35   2HB   ALA   6          2HB       ALA   6   1.920   0.337   5.992
   36   3HB   ALA   6          3HB       ALA   6   0.554   0.058   4.911
   37    H    ILE   7           HN       ILE   7   0.855  -0.959   2.433
   38    HA   ILE   7           HA       ILE   7   1.354  -3.683   3.301
   39    HB   ILE   7           HB       ILE   7  -0.790  -3.839   2.895
   40   1HG1  ILE   7          2HG1      ILE   7  -1.641  -3.284   0.572
   41   2HG1  ILE   7          1HG1      ILE   7   0.052  -2.957   0.171
   42   1HG2  ILE   7          1HG2      ILE   7  -2.079  -1.896   2.550
   43   2HG2  ILE   7          2HG2      ILE   7  -0.737  -1.070   1.761
   44   3HG2  ILE   7          3HG2      ILE   7  -0.671  -1.414   3.492
   45   1HD1  ILE   7          1HD1      ILE   7  -1.261  -5.532   0.679
   46   2HD1  ILE   7          2HD1      ILE   7   0.202  -5.300   1.635
   47   3HD1  ILE   7          3HD1      ILE   7   0.272  -5.196  -0.125
   48    H    LEU   8           HN       LEU   8   2.517  -1.572   0.971
   49    HA   LEU   8           HA       LEU   8   3.170  -3.702  -0.964
   50   1HB   LEU   8          2HB       LEU   8   2.698  -2.005  -2.354
   51   2HB   LEU   8          1HB       LEU   8   2.541  -0.915  -0.985
   52    HG   LEU   8           HG       LEU   8   4.215  -0.077  -2.526
   53   1HD1  LEU   8          1HD1      LEU   8   6.112  -0.934  -0.519
   54   2HD1  LEU   8          2HD1      LEU   8   4.545  -0.602   0.223
   55   3HD1  LEU   8          3HD1      LEU   8   5.351   0.643  -0.727
   56   1HD2  LEU   8          1HD2      LEU   8   4.890  -2.891  -2.648
   57   2HD2  LEU   8          2HD2      LEU   8   6.326  -1.948  -2.239
   58   3HD2  LEU   8          3HD2      LEU   8   5.417  -1.583  -3.706
   59    H    SER   9           HN       SER   9   4.504  -2.208   1.728
   60    HA   SER   9           HA       SER   9   7.322  -2.598   0.917
   61   1HB   SER   9          2HB       SER   9   5.954  -1.678   3.463
   62   2HB   SER   9          1HB       SER   9   7.700  -1.702   3.235
   63    HG   SER   9           HG       SER   9   7.429  -0.262   1.505
   64    H    SER  10           HN       SER  10   5.083  -3.906   3.390
   65    HA   SER  10           HA       SER  10   6.397  -6.484   3.225
   66   1HB   SER  10          2HB       SER  10   7.488  -4.765   4.931
   67   2HB   SER  10          1HB       SER  10   6.150  -5.287   5.950
   68    HG   SER  10           HG       SER  10   7.570  -6.820   6.377
  Start of MODEL   15
    1   1H    SER   1          1HT       SER   1  -1.953  -6.548   4.386
    2   2H    SER   1          2HT       SER   1  -2.236  -5.014   3.712
    3   3H    SER   1          3HT       SER   1  -3.354  -6.269   3.472
    4    HA   SER   1           HA       SER   1  -4.024  -6.247   5.742
    5   1HB   SER   1          2HB       SER   1  -1.506  -4.602   5.911
    6   2HB   SER   1          1HB       SER   1  -2.721  -4.498   7.182
    7    HG   SER   1           HG       SER   1  -2.217  -6.452   7.817
    8    H    ASN   2           HN       ASN   2  -2.683  -3.086   4.701
    9    HA   ASN   2           HA       ASN   2  -5.341  -1.929   4.978
   10   1HB   ASN   2          2HB       ASN   2  -2.558  -0.783   4.752
   11   2HB   ASN   2          1HB       ASN   2  -4.007   0.214   4.884
   12   1HD2  ASN   2          1HD2      ASN   2  -5.468  -0.439   6.869
   13   2HD2  ASN   2          2HD2      ASN   2  -4.644  -0.812   8.306
   14    H    ASN   3           HN       ASN   3  -3.559   0.048   2.964
   15    HA   ASN   3           HA       ASN   3  -3.790  -1.172   0.420
   16   1HB   ASN   3          2HB       ASN   3  -6.240  -0.816   1.401
   17   2HB   ASN   3          1HB       ASN   3  -5.976   0.836   0.848
   18   1HD2  ASN   3          1HD2      ASN   3  -4.120  -0.371  -1.336
   19   2HD2  ASN   3          2HD2      ASN   3  -5.207  -0.911  -2.515
   20    H    PHE   4           HN       PHE   4  -1.736   0.264   1.318
   21    HA   PHE   4           HA       PHE   4  -1.844   2.773  -0.264
   22   1HB   PHE   4          2HB       PHE   4  -0.906   2.645   2.626
   23   2HB   PHE   4          1HB       PHE   4  -1.073   4.091   1.633
   24    HD1  PHE   4           1HD      PHE   4  -3.403   4.715   0.786
   25    HD2  PHE   4           2HD      PHE   4  -2.729   1.815   3.881
   26    HE1  PHE   4           1HE      PHE   4  -5.762   4.952   1.517
   27    HE2  PHE   4           2HE      PHE   4  -5.089   2.051   4.613
   28    HZ   PHE   4           HZ       PHE   4  -6.604   3.618   3.431
   29    H    GLY   5           HN       GLY   5   0.787   3.046   1.677
   30   1HA   GLY   5          2HA       GLY   5   2.486   1.482  -0.212
   31   2HA   GLY   5          1HA       GLY   5   3.012   2.946   0.621
   32    H    ALA   6           HN       ALA   6   1.277   1.373   2.902
   33    HA   ALA   6           HA       ALA   6   3.638   0.386   4.224
   34   1HB   ALA   6          1HB       ALA   6   1.561   1.692   5.117
   35   2HB   ALA   6          2HB       ALA   6   2.294   0.451   6.134
   36   3HB   ALA   6          3HB       ALA   6   0.841   0.084   5.205
   37    H    ILE   7           HN       ILE   7   0.869  -0.854   2.673
   38    HA   ILE   7           HA       ILE   7   1.356  -3.621   3.404
   39    HB   ILE   7           HB       ILE   7  -0.825  -3.712   3.204
   40   1HG1  ILE   7          2HG1      ILE   7  -1.912  -3.033   1.035
   41   2HG1  ILE   7          1HG1      ILE   7  -0.283  -2.640   0.467
   42   1HG2  ILE   7          1HG2      ILE   7  -0.755  -0.865   2.281
   43   2HG2  ILE   7          2HG2      ILE   7  -0.604  -1.362   3.966
   44   3HG2  ILE   7          3HG2      ILE   7  -2.086  -1.701   3.073
   45   1HD1  ILE   7          1HD1      ILE   7  -1.500  -5.258   0.821
   46   2HD1  ILE   7          2HD1      ILE   7  -0.013  -5.110   1.757
   47   3HD1  ILE   7          3HD1      ILE   7   0.010  -4.831   0.016
   48    H    LEU   8           HN       LEU   8   2.135  -1.419   0.975
   49    HA   LEU   8           HA       LEU   8   2.686  -3.505  -1.042
   50   1HB   LEU   8          2HB       LEU   8   1.926  -1.857  -2.361
   51   2HB   LEU   8          1HB       LEU   8   1.847  -0.778  -0.978
   52    HG   LEU   8           HG       LEU   8   3.254   0.192  -2.696
   53   1HD1  LEU   8          1HD1      LEU   8   5.441  -0.533  -0.943
   54   2HD1  LEU   8          2HD1      LEU   8   3.956  -0.301  -0.019
   55   3HD1  LEU   8          3HD1      LEU   8   4.561   0.991  -1.053
   56   1HD2  LEU   8          1HD2      LEU   8   4.421  -1.204  -4.034
   57   2HD2  LEU   8          2HD2      LEU   8   4.116  -2.556  -2.946
   58   3HD2  LEU   8          3HD2      LEU   8   5.518  -1.517  -2.689
   59    H    SER   9           HN       SER   9   4.242  -1.914   1.464
   60    HA   SER   9           HA       SER   9   6.946  -2.031   0.290
   61   1HB   SER   9          2HB       SER   9   6.168  -0.227   1.828
   62   2HB   SER   9          1HB       SER   9   5.955  -1.429   3.098
   63    HG   SER   9           HG       SER   9   8.174  -1.856   2.981
   64    H    SER  10           HN       SER  10   4.916  -3.922   2.463
   65    HA   SER  10           HA       SER  10   7.089  -5.618   3.337
   66   1HB   SER  10          2HB       SER  10   5.189  -6.784   4.498
   67   2HB   SER  10          1HB       SER  10   5.275  -5.060   4.845
   68    HG   SER  10           HG       SER  10   3.207  -5.346   4.275
  Start of MODEL   16
    1   1H    SER   1          1HT       SER   1  -3.460  -6.099   3.438
    2   2H    SER   1          2HT       SER   1  -2.151  -6.735   4.316
    3   3H    SER   1          3HT       SER   1  -2.076  -5.155   3.699
    4    HA   SER   1           HA       SER   1  -3.828  -6.136   5.892
    5   1HB   SER   1          2HB       SER   1  -1.307  -4.567   5.568
    6   2HB   SER   1          1HB       SER   1  -2.406  -4.077   6.854
    7    HG   SER   1           HG       SER   1  -2.343  -6.228   7.613
    8    H    ASN   2           HN       ASN   2  -2.719  -2.952   4.722
    9    HA   ASN   2           HA       ASN   2  -5.463  -1.994   4.916
   10   1HB   ASN   2          2HB       ASN   2  -2.731  -0.745   4.918
   11   2HB   ASN   2          1HB       ASN   2  -4.177   0.247   4.731
   12   1HD2  ASN   2          1HD2      ASN   2  -5.959  -0.333   6.496
   13   2HD2  ASN   2          2HD2      ASN   2  -5.373  -0.538   8.076
   14    H    ASN   3           HN       ASN   3  -3.457  -0.076   2.922
   15    HA   ASN   3           HA       ASN   3  -3.667  -1.245   0.374
   16   1HB   ASN   3          2HB       ASN   3  -6.160  -0.216   1.521
   17   2HB   ASN   3          1HB       ASN   3  -5.789   0.533  -0.032
   18   1HD2  ASN   3          1HD2      ASN   3  -4.376  -1.796  -1.140
   19   2HD2  ASN   3          2HD2      ASN   3  -5.546  -2.988  -1.430
   20    H    PHE   4           HN       PHE   4  -1.676   0.224   1.278
   21    HA   PHE   4           HA       PHE   4  -1.819   2.745  -0.283
   22   1HB   PHE   4          2HB       PHE   4  -0.930   2.602   2.621
   23   2HB   PHE   4          1HB       PHE   4  -1.070   4.057   1.637
   24    HD1  PHE   4           1HD      PHE   4  -3.381   4.695   0.744
   25    HD2  PHE   4           2HD      PHE   4  -2.783   1.757   3.820
   26    HE1  PHE   4           1HE      PHE   4  -5.758   4.921   1.420
   27    HE2  PHE   4           2HE      PHE   4  -5.160   1.983   4.497
   28    HZ   PHE   4           HZ       PHE   4  -6.647   3.564   3.297
   29    H    GLY   5           HN       GLY   5   0.786   3.000   1.729
   30   1HA   GLY   5          2HA       GLY   5   2.539   1.529  -0.188
   31   2HA   GLY   5          1HA       GLY   5   3.026   2.984   0.684
   32    H    ALA   6           HN       ALA   6   1.334   1.404   2.956
   33    HA   ALA   6           HA       ALA   6   3.702   0.372   4.228
   34   1HB   ALA   6          1HB       ALA   6   2.414   0.483   6.164
   35   2HB   ALA   6          2HB       ALA   6   0.936   0.090   5.286
   36   3HB   ALA   6          3HB       ALA   6   1.639   1.702   5.153
   37    H    ILE   7           HN       ILE   7   0.872  -0.823   2.747
   38    HA   ILE   7           HA       ILE   7   1.371  -3.600   3.435
   39    HB   ILE   7           HB       ILE   7  -0.814  -3.680   3.342
   40   1HG1  ILE   7          2HG1      ILE   7  -2.011  -2.969   1.243
   41   2HG1  ILE   7          1HG1      ILE   7  -0.410  -2.577   0.596
   42   1HG2  ILE   7          1HG2      ILE   7  -2.076  -1.665   3.300
   43   2HG2  ILE   7          2HG2      ILE   7  -0.776  -0.820   2.465
   44   3HG2  ILE   7          3HG2      ILE   7  -0.555  -1.352   4.132
   45   1HD1  ILE   7          1HD1      ILE   7  -1.623  -5.192   0.983
   46   2HD1  ILE   7          2HD1      ILE   7  -0.088  -5.062   1.841
   47   3HD1  ILE   7          3HD1      ILE   7  -0.155  -4.764   0.104
   48    H    LEU   8           HN       LEU   8   2.050  -1.378   0.997
   49    HA   LEU   8           HA       LEU   8   2.468  -3.437  -1.074
   50   1HB   LEU   8          2HB       LEU   8   1.690  -1.747  -2.330
   51   2HB   LEU   8          1HB       LEU   8   1.699  -0.693  -0.924
   52    HG   LEU   8           HG       LEU   8   3.050   0.272  -2.691
   53   1HD1  LEU   8          1HD1      LEU   8   3.851  -0.275  -0.052
   54   2HD1  LEU   8          2HD1      LEU   8   4.435   1.022  -1.089
   55   3HD1  LEU   8          3HD1      LEU   8   5.291  -0.518  -1.039
   56   1HD2  LEU   8          1HD2      LEU   8   5.275  -1.488  -2.794
   57   2HD2  LEU   8          2HD2      LEU   8   4.139  -1.124  -4.092
   58   3HD2  LEU   8          3HD2      LEU   8   3.838  -2.488  -3.018
   59    H    SER   9           HN       SER   9   4.178  -1.895   1.367
   60    HA   SER   9           HA       SER   9   6.822  -2.116   0.066
   61   1HB   SER   9          2HB       SER   9   6.374  -0.230   1.519
   62   2HB   SER   9          1HB       SER   9   5.832  -1.294   2.813
   63    HG   SER   9           HG       SER   9   8.444  -1.130   1.703
   64    H    SER  10           HN       SER  10   5.771  -3.240   3.288
   65    HA   SER  10           HA       SER  10   6.526  -5.970   2.679
   66   1HB   SER  10          2HB       SER  10   8.561  -4.447   3.313
   67   2HB   SER  10          1HB       SER  10   7.930  -4.601   4.950
   68    HG   SER  10           HG       SER  10   9.405  -6.255   4.539
  Start of MODEL   17
    1   1H    SER   1          1HT       SER   1  -1.755  -2.017   8.628
    2   2H    SER   1          2HT       SER   1  -0.243  -2.736   8.345
    3   3H    SER   1          3HT       SER   1  -1.659  -3.673   8.279
    4    HA   SER   1           HA       SER   1  -0.839  -1.541   6.373
    5   1HB   SER   1          2HB       SER   1  -0.944  -4.536   6.484
    6   2HB   SER   1          1HB       SER   1  -1.183  -3.742   4.931
    7    HG   SER   1           HG       SER   1   0.805  -2.579   5.431
    8    H    ASN   2           HN       ASN   2  -2.454  -1.071   4.757
    9    HA   ASN   2           HA       ASN   2  -5.138  -2.118   5.232
   10   1HB   ASN   2          2HB       ASN   2  -4.099   0.642   5.475
   11   2HB   ASN   2          1HB       ASN   2  -5.677   0.474   4.704
   12   1HD2  ASN   2          1HD2      ASN   2  -7.287  -0.965   5.994
   13   2HD2  ASN   2          2HD2      ASN   2  -7.243  -0.836   7.685
   14    H    ASN   3           HN       ASN   3  -3.642   0.331   3.104
   15    HA   ASN   3           HA       ASN   3  -3.725  -1.188   0.717
   16   1HB   ASN   3          2HB       ASN   3  -6.143  -1.173   1.094
   17   2HB   ASN   3          1HB       ASN   3  -6.125   0.576   1.311
   18   1HD2  ASN   3          1HD2      ASN   3  -3.985  -0.638  -1.149
   19   2HD2  ASN   3          2HD2      ASN   3  -4.938  -0.194  -2.478
   20    H    PHE   4           HN       PHE   4  -1.738   0.349   1.430
   21    HA   PHE   4           HA       PHE   4  -1.847   2.705  -0.370
   22   1HB   PHE   4          2HB       PHE   4  -0.892   2.824   2.512
   23   2HB   PHE   4          1HB       PHE   4  -1.078   4.180   1.402
   24    HD1  PHE   4           1HD      PHE   4  -3.437   4.652   0.488
   25    HD2  PHE   4           2HD      PHE   4  -2.674   2.143   3.889
   26    HE1  PHE   4           1HE      PHE   4  -5.792   4.931   1.218
   27    HE2  PHE   4           2HE      PHE   4  -5.031   2.421   4.620
   28    HZ   PHE   4           HZ       PHE   4  -6.588   3.815   3.284
   29    H    GLY   5           HN       GLY   5   0.786   3.066   1.595
   30   1HA   GLY   5          2HA       GLY   5   2.492   1.454  -0.240
   31   2HA   GLY   5          1HA       GLY   5   3.028   2.898   0.620
   32    H    ALA   6           HN       ALA   6   1.248   1.423   2.892
   33    HA   ALA   6           HA       ALA   6   3.542   0.347   4.251
   34   1HB   ALA   6          1HB       ALA   6   1.916   1.615   5.478
   35   2HB   ALA   6          2HB       ALA   6   1.772  -0.058   6.020
   36   3HB   ALA   6          3HB       ALA   6   0.612   0.598   4.864
   37    H    ILE   7           HN       ILE   7   0.823  -0.826   2.578
   38    HA   ILE   7           HA       ILE   7   1.208  -3.612   3.306
   39    HB   ILE   7           HB       ILE   7  -0.959  -3.645   2.980
   40   1HG1  ILE   7          2HG1      ILE   7  -1.896  -2.919   0.751
   41   2HG1  ILE   7          1HG1      ILE   7  -0.221  -2.595   0.284
   42   1HG2  ILE   7          1HG2      ILE   7  -2.157  -1.594   2.772
   43   2HG2  ILE   7          2HG2      ILE   7  -0.748  -0.797   2.079
   44   3HG2  ILE   7          3HG2      ILE   7  -0.731  -1.308   3.766
   45   1HD1  ILE   7          1HD1      ILE   7  -1.561  -5.164   0.596
   46   2HD1  ILE   7          2HD1      ILE   7  -0.105  -5.060   1.584
   47   3HD1  ILE   7          3HD1      ILE   7  -0.010  -4.800  -0.158
   48    H    LEU   8           HN       LEU   8   2.255  -1.417   0.990
   49    HA   LEU   8           HA       LEU   8   2.719  -3.382  -1.161
   50   1HB   LEU   8          2HB       LEU   8   2.803  -0.469  -0.714
   51   2HB   LEU   8          1HB       LEU   8   4.035  -1.070  -1.826
   52    HG   LEU   8           HG       LEU   8   2.309  -2.209  -3.151
   53   1HD1  LEU   8          1HD1      LEU   8   0.563  -1.210  -0.914
   54   2HD1  LEU   8          2HD1      LEU   8   0.624  -2.817  -1.638
   55   3HD1  LEU   8          3HD1      LEU   8  -0.124  -1.482  -2.516
   56   1HD2  LEU   8          1HD2      LEU   8   2.171   0.718  -2.582
   57   2HD2  LEU   8          2HD2      LEU   8   0.902   0.026  -3.594
   58   3HD2  LEU   8          3HD2      LEU   8   2.592  -0.117  -4.078
   59    H    SER   9           HN       SER   9   4.114  -3.650   1.541
   60    HA   SER   9           HA       SER   9   6.861  -3.941   0.458
   61   1HB   SER   9          2HB       SER   9   7.789  -2.406   1.924
   62   2HB   SER   9          1HB       SER   9   6.207  -1.665   1.704
   63    HG   SER   9           HG       SER   9   7.323  -2.797   3.917
   64    H    SER  10           HN       SER  10   4.809  -4.300   3.371
   65    HA   SER  10           HA       SER  10   5.610  -7.075   3.606
   66   1HB   SER  10          2HB       SER  10   7.414  -5.904   4.742
   67   2HB   SER  10          1HB       SER  10   6.252  -4.954   5.662
   68    HG   SER  10           HG       SER  10   7.251  -6.945   6.643
  Start of MODEL   18
    1   1H    SER   1          1HT       SER   1  -2.077   3.452   8.810
    2   2H    SER   1          2HT       SER   1  -2.311   5.132   8.897
    3   3H    SER   1          3HT       SER   1  -0.744   4.484   8.999
    4    HA   SER   1           HA       SER   1  -1.130   5.432   6.796
    5   1HB   SER   1          2HB       SER   1  -0.705   2.522   7.359
    6   2HB   SER   1          1HB       SER   1  -0.779   3.039   5.677
    7    HG   SER   1           HG       SER   1   0.867   4.228   7.664
    8    H    ASN   2           HN       ASN   2  -2.113   4.263   4.596
    9    HA   ASN   2           HA       ASN   2  -4.999   4.283   5.015
   10   1HB   ASN   2          2HB       ASN   2  -3.207   4.714   2.628
   11   2HB   ASN   2          1HB       ASN   2  -4.968   4.714   2.518
   12   1HD2  ASN   2          1HD2      ASN   2  -5.831   6.154   4.664
   13   2HD2  ASN   2          2HD2      ASN   2  -5.157   7.711   4.681
   14    H    ASN   3           HN       ASN   3  -3.282   2.781   2.320
   15    HA   ASN   3           HA       ASN   3  -3.502   0.065   3.117
   16   1HB   ASN   3          2HB       ASN   3  -5.942   1.383   2.397
   17   2HB   ASN   3          1HB       ASN   3  -5.577   0.194   1.148
   18   1HD2  ASN   3          1HD2      ASN   3  -6.371   0.598   4.563
   19   2HD2  ASN   3          2HD2      ASN   3  -6.621  -1.049   4.887
   20    H    PHE   4           HN       PHE   4  -1.622   1.671   1.688
   21    HA   PHE   4           HA       PHE   4  -1.454   0.146  -0.834
   22   1HB   PHE   4          2HB       PHE   4  -1.252   3.148  -0.683
   23   2HB   PHE   4          1HB       PHE   4  -1.150   2.169  -2.146
   24    HD1  PHE   4           1HD      PHE   4  -3.345   3.795   0.220
   25    HD2  PHE   4           2HD      PHE   4  -3.169   0.799  -2.850
   26    HE1  PHE   4           1HE      PHE   4  -5.815   3.882  -0.002
   27    HE2  PHE   4           2HE      PHE   4  -5.639   0.885  -3.076
   28    HZ   PHE   4           HZ       PHE   4  -6.962   2.425  -1.651
   29    H    GLY   5           HN       GLY   5   0.103   2.834   0.675
   30   1HA   GLY   5          2HA       GLY   5   2.782   1.986   0.010
   31   2HA   GLY   5          1HA       GLY   5   2.380   3.263   1.162
   32    H    ALA   6           HN       ALA   6   0.576   1.260   2.569
   33    HA   ALA   6           HA       ALA   6   2.549   0.254   4.406
   34   1HB   ALA   6          1HB       ALA   6  -0.387  -0.272   4.429
   35   2HB   ALA   6          2HB       ALA   6   0.238   1.332   4.808
   36   3HB   ALA   6          3HB       ALA   6   0.689  -0.051   5.808
   37    H    ILE   7           HN       ILE   7   0.507  -0.938   1.961
   38    HA   ILE   7           HA       ILE   7   0.842  -3.740   2.587
   39    HB   ILE   7           HB       ILE   7  -1.047  -3.877   1.481
   40   1HG1  ILE   7          2HG1      ILE   7  -1.194  -2.986  -0.873
   41   2HG1  ILE   7          1HG1      ILE   7   0.500  -2.511  -0.676
   42   1HG2  ILE   7          1HG2      ILE   7  -0.846  -0.957   0.869
   43   2HG2  ILE   7          2HG2      ILE   7  -1.271  -1.580   2.464
   44   3HG2  ILE   7          3HG2      ILE   7  -2.302  -1.924   1.075
   45   1HD1  ILE   7          1HD1      ILE   7   0.337  -5.097   0.395
   46   2HD1  ILE   7          2HD1      ILE   7   1.087  -4.638  -1.132
   47   3HD1  ILE   7          3HD1      ILE   7  -0.595  -5.164  -1.099
   48    H    LEU   8           HN       LEU   8   2.460  -1.352   0.838
   49    HA   LEU   8           HA       LEU   8   3.901  -3.339  -0.825
   50   1HB   LEU   8          2HB       LEU   8   3.590  -1.720  -2.352
   51   2HB   LEU   8          1HB       LEU   8   2.919  -0.664  -1.118
   52    HG   LEU   8           HG       LEU   8   4.832   0.391  -2.183
   53   1HD1  LEU   8          1HD1      LEU   8   4.425  -0.050   0.564
   54   2HD1  LEU   8          2HD1      LEU   8   5.307   1.281  -0.177
   55   3HD1  LEU   8          3HD1      LEU   8   6.167  -0.176   0.321
   56   1HD2  LEU   8          1HD2      LEU   8   5.892  -2.296  -1.969
   57   2HD2  LEU   8          2HD2      LEU   8   7.004  -1.152  -1.218
   58   3HD2  LEU   8          3HD2      LEU   8   6.517  -0.934  -2.898
   59    H    SER   9           HN       SER   9   4.172  -1.624   2.049
   60    HA   SER   9           HA       SER   9   7.129  -1.630   2.110
   61   1HB   SER   9          2HB       SER   9   4.906  -0.739   3.958
   62   2HB   SER   9          1HB       SER   9   6.600  -0.679   4.435
   63    HG   SER   9           HG       SER   9   5.916   1.286   3.498
   64    H    SER  10           HN       SER  10   4.536  -3.724   2.981
   65    HA   SER  10           HA       SER  10   6.398  -5.579   4.204
   66   1HB   SER  10          2HB       SER  10   5.032  -3.808   5.788
   67   2HB   SER  10          1HB       SER  10   3.949  -5.197   5.793
   68    HG   SER  10           HG       SER  10   5.646  -5.180   7.436
  Start of MODEL   19
    1   1H    SER   1          1HT       SER   1  -1.061   2.685   7.375
    2   2H    SER   1          2HT       SER   1   0.238   3.761   7.173
    3   3H    SER   1          3HT       SER   1  -0.608   3.185   5.819
    4    HA   SER   1           HA       SER   1  -1.719   4.965   7.931
    5   1HB   SER   1          2HB       SER   1  -0.172   6.171   6.586
    6   2HB   SER   1          1HB       SER   1  -0.642   5.304   5.127
    7    HG   SER   1           HG       SER   1  -1.510   7.574   5.684
    8    H    ASN   2           HN       ASN   2  -2.436   4.464   4.484
    9    HA   ASN   2           HA       ASN   2  -5.234   4.040   5.178
   10   1HB   ASN   2          2HB       ASN   2  -3.665   5.068   2.884
   11   2HB   ASN   2          1HB       ASN   2  -5.193   4.281   2.494
   12   1HD2  ASN   2          1HD2      ASN   2  -4.560   7.198   2.309
   13   2HD2  ASN   2          2HD2      ASN   2  -5.677   7.978   3.321
   14    H    ASN   3           HN       ASN   3  -3.473   2.811   2.356
   15    HA   ASN   3           HA       ASN   3  -3.279   0.087   3.109
   16   1HB   ASN   3          2HB       ASN   3  -5.928   0.961   2.779
   17   2HB   ASN   3          1HB       ASN   3  -5.560   0.094   1.290
   18   1HD2  ASN   3          1HD2      ASN   3  -4.389  -0.523   4.641
   19   2HD2  ASN   3          2HD2      ASN   3  -4.983  -2.111   4.713
   20    H    PHE   4           HN       PHE   4  -1.627   1.744   1.621
   21    HA   PHE   4           HA       PHE   4  -1.589   0.350  -0.976
   22   1HB   PHE   4          2HB       PHE   4  -1.587   3.353  -0.708
   23   2HB   PHE   4          1HB       PHE   4  -1.483   2.455  -2.222
   24    HD1  PHE   4           1HD      PHE   4  -3.409   0.935  -2.884
   25    HD2  PHE   4           2HD      PHE   4  -3.677   3.778   0.322
   26    HE1  PHE   4           1HE      PHE   4  -5.888   0.810  -2.980
   27    HE2  PHE   4           2HE      PHE   4  -6.154   3.657   0.226
   28    HZ   PHE   4           HZ       PHE   4  -7.259   2.172  -1.425
   29    H    GLY   5           HN       GLY   5  -0.057   2.503   1.216
   30   1HA   GLY   5          2HA       GLY   5   2.605   1.999   0.003
   31   2HA   GLY   5          1HA       GLY   5   2.266   3.206   1.250
   32    H    ALA   6           HN       ALA   6   0.654   1.279   2.798
   33    HA   ALA   6           HA       ALA   6   2.751   0.121   4.382
   34   1HB   ALA   6          1HB       ALA   6   0.904  -0.401   5.851
   35   2HB   ALA   6          2HB       ALA   6  -0.232  -0.177   4.522
   36   3HB   ALA   6          3HB       ALA   6   0.640   1.208   5.179
   37    H    ILE   7           HN       ILE   7   0.560  -0.904   2.012
   38    HA   ILE   7           HA       ILE   7   0.751  -3.736   2.519
   39    HB   ILE   7           HB       ILE   7  -1.130  -3.723   1.387
   40   1HG1  ILE   7          2HG1      ILE   7  -1.176  -2.759  -0.942
   41   2HG1  ILE   7          1HG1      ILE   7   0.539  -2.403  -0.700
   42   1HG2  ILE   7          1HG2      ILE   7  -2.252  -1.684   1.012
   43   2HG2  ILE   7          2HG2      ILE   7  -0.735  -0.801   0.848
   44   3HG2  ILE   7          3HG2      ILE   7  -1.225  -1.435   2.422
   45   1HD1  ILE   7          1HD1      ILE   7  -0.725  -4.974  -1.201
   46   2HD1  ILE   7          2HD1      ILE   7   0.213  -4.995   0.292
   47   3HD1  ILE   7          3HD1      ILE   7   0.986  -4.551  -1.231
   48    H    LEU   8           HN       LEU   8   2.529  -1.387   0.894
   49    HA   LEU   8           HA       LEU   8   3.840  -3.249  -0.996
   50   1HB   LEU   8          2HB       LEU   8   3.643  -0.345  -0.473
   51   2HB   LEU   8          1HB       LEU   8   5.212  -0.879  -1.079
   52    HG   LEU   8           HG       LEU   8   4.189  -1.909  -3.013
   53   1HD1  LEU   8          1HD1      LEU   8   2.173  -2.789  -1.991
   54   2HD1  LEU   8          2HD1      LEU   8   1.698  -1.730  -3.320
   55   3HD1  LEU   8          3HD1      LEU   8   1.587  -1.163  -1.657
   56   1HD2  LEU   8          1HD2      LEU   8   4.381   0.743  -2.677
   57   2HD2  LEU   8          2HD2      LEU   8   2.631   0.636  -2.876
   58   3HD2  LEU   8          3HD2      LEU   8   3.701   0.044  -4.147
   59    H    SER   9           HN       SER   9   4.131  -3.591   2.017
   60    HA   SER   9           HA       SER   9   7.096  -3.748   2.035
   61   1HB   SER   9          2HB       SER   9   5.346  -2.037   3.779
   62   2HB   SER   9          1HB       SER   9   6.855  -2.673   4.427
   63    HG   SER   9           HG       SER   9   7.976  -1.558   2.926
   64    H    SER  10           HN       SER  10   4.444  -4.026   4.433
   65    HA   SER  10           HA       SER  10   4.845  -6.891   4.616
   66   1HB   SER  10          2HB       SER  10   6.488  -5.387   6.085
   67   2HB   SER  10          1HB       SER  10   5.099  -5.373   7.169
   68    HG   SER  10           HG       SER  10   6.882  -7.249   6.944
  Start of MODEL   20
    1   1H    SER   1          1HT       SER   1  -6.272   5.506   8.808
    2   2H    SER   1          2HT       SER   1  -4.993   5.049   9.828
    3   3H    SER   1          3HT       SER   1  -5.850   3.870   8.957
    4    HA   SER   1           HA       SER   1  -4.208   6.012   7.702
    5   1HB   SER   1          2HB       SER   1  -3.032   4.314   9.186
    6   2HB   SER   1          1HB       SER   1  -3.616   3.065   8.091
    7    HG   SER   1           HG       SER   1  -1.452   4.015   7.682
    8    H    ASN   2           HN       ASN   2  -3.482   4.694   5.491
    9    HA   ASN   2           HA       ASN   2  -6.002   4.117   4.146
   10   1HB   ASN   2          2HB       ASN   2  -3.233   4.712   3.086
   11   2HB   ASN   2          1HB       ASN   2  -4.709   4.653   2.122
   12   1HD2  ASN   2          1HD2      ASN   2  -2.672   6.888   3.319
   13   2HD2  ASN   2          2HD2      ASN   2  -3.758   8.136   3.701
   14    H    ASN   3           HN       ASN   3  -4.070   2.811   2.027
   15    HA   ASN   3           HA       ASN   3  -3.118   0.387   3.202
   16   1HB   ASN   3          2HB       ASN   3  -5.939   0.641   2.434
   17   2HB   ASN   3          1HB       ASN   3  -5.145  -0.744   1.684
   18   1HD2  ASN   3          1HD2      ASN   3  -6.767   0.205   4.480
   19   2HD2  ASN   3          2HD2      ASN   3  -6.190  -0.994   5.534
   20    H    PHE   4           HN       PHE   4  -1.626   1.776   1.602
   21    HA   PHE   4           HA       PHE   4  -1.602   0.302  -0.952
   22   1HB   PHE   4          2HB       PHE   4  -1.537   3.313  -0.775
   23   2HB   PHE   4          1HB       PHE   4  -1.496   2.360  -2.259
   24    HD1  PHE   4           1HD      PHE   4  -3.588   3.914   0.213
   25    HD2  PHE   4           2HD      PHE   4  -3.484   0.807  -2.749
   26    HE1  PHE   4           1HE      PHE   4  -6.067   3.863   0.183
   27    HE2  PHE   4           2HE      PHE   4  -5.964   0.756  -2.783
   28    HZ   PHE   4           HZ       PHE   4  -7.256   2.284  -1.317
   29    H    GLY   5           HN       GLY   5  -0.067   2.539   1.155
   30   1HA   GLY   5          2HA       GLY   5   2.603   1.988  -0.002
   31   2HA   GLY   5          1HA       GLY   5   2.255   3.204   1.232
   32    H    ALA   6           HN       ALA   6   0.609   1.269   2.760
   33    HA   ALA   6           HA       ALA   6   2.685   0.130   4.386
   34   1HB   ALA   6          1HB       ALA   6  -0.316   0.113   4.390
   35   2HB   ALA   6          2HB       ALA   6   0.740   1.117   5.385
   36   3HB   ALA   6          3HB       ALA   6   0.643  -0.621   5.675
   37    H    ILE   7           HN       ILE   7   0.541  -0.911   1.979
   38    HA   ILE   7           HA       ILE   7   0.759  -3.746   2.482
   39    HB   ILE   7           HB       ILE   7  -1.121  -3.746   1.355
   40   1HG1  ILE   7          2HG1      ILE   7  -1.178  -2.769  -0.973
   41   2HG1  ILE   7          1HG1      ILE   7   0.540  -2.426  -0.738
   42   1HG2  ILE   7          1HG2      ILE   7  -0.737  -0.819   0.836
   43   2HG2  ILE   7          2HG2      ILE   7  -1.254  -1.474   2.392
   44   3HG2  ILE   7          3HG2      ILE   7  -2.253  -1.708   0.959
   45   1HD1  ILE   7          1HD1      ILE   7  -0.757  -4.992  -1.211
   46   2HD1  ILE   7          2HD1      ILE   7   0.222  -5.009   0.255
   47   3HD1  ILE   7          3HD1      ILE   7   0.955  -4.576  -1.290
   48    H    LEU   8           HN       LEU   8   2.600  -1.393   0.950
   49    HA   LEU   8           HA       LEU   8   3.851  -3.203  -1.024
   50   1HB   LEU   8          2HB       LEU   8   3.771  -0.331  -0.356
   51   2HB   LEU   8          1HB       LEU   8   5.331  -0.897  -0.956
   52    HG   LEU   8           HG       LEU   8   4.242  -1.880  -2.922
   53   1HD1  LEU   8          1HD1      LEU   8   1.693  -0.875  -3.016
   54   2HD1  LEU   8          2HD1      LEU   8   1.849  -1.278  -1.307
   55   3HD1  LEU   8          3HD1      LEU   8   2.093  -2.523  -2.531
   56   1HD2  LEU   8          1HD2      LEU   8   3.772   1.011  -2.251
   57   2HD2  LEU   8          2HD2      LEU   8   3.178   0.368  -3.783
   58   3HD2  LEU   8          3HD2      LEU   8   4.902   0.308  -3.408
   59    H    SER   9           HN       SER   9   4.113  -3.947   1.818
   60    HA   SER   9           HA       SER   9   7.071  -4.083   1.941
   61   1HB   SER   9          2HB       SER   9   6.438  -2.002   3.103
   62   2HB   SER   9          1HB       SER   9   5.303  -2.897   4.107
   63    HG   SER   9           HG       SER   9   8.000  -2.620   4.333
   64    H    SER  10           HN       SER  10   4.384  -4.656   4.237
   65    HA   SER  10           HA       SER  10   5.432  -7.272   4.882
   66   1HB   SER  10          2HB       SER  10   4.554  -5.747   6.589
   67   2HB   SER  10          1HB       SER  10   2.990  -5.730   5.779
   68    HG   SER  10           HG       SER  10   4.300  -7.910   7.038
  Start of MODEL   21
    1   1H    SER   1          1HT       SER   1  -4.279   6.018   8.598
    2   2H    SER   1          2HT       SER   1  -2.763   5.611   9.249
    3   3H    SER   1          3HT       SER   1  -3.947   4.412   9.031
    4    HA   SER   1           HA       SER   1  -2.482   5.879   6.897
    5   1HB   SER   1          2HB       SER   1  -1.466   3.734   6.543
    6   2HB   SER   1          1HB       SER   1  -1.432   4.002   8.284
    7    HG   SER   1           HG       SER   1  -2.373   1.930   7.170
    8    H    ASN   2           HN       ASN   2  -2.986   3.703   5.081
    9    HA   ASN   2           HA       ASN   2  -5.889   3.710   4.779
   10   1HB   ASN   2          2HB       ASN   2  -3.822   4.517   2.730
   11   2HB   ASN   2          1HB       ASN   2  -5.533   4.299   2.363
   12   1HD2  ASN   2          1HD2      ASN   2  -3.267   6.278   4.297
   13   2HD2  ASN   2          2HD2      ASN   2  -4.329   7.587   4.499
   14    H    ASN   3           HN       ASN   3  -3.638   2.659   2.303
   15    HA   ASN   3           HA       ASN   3  -3.246  -0.034   3.011
   16   1HB   ASN   3          2HB       ASN   3  -5.947   0.693   2.149
   17   2HB   ASN   3          1HB       ASN   3  -5.255  -0.574   1.138
   18   1HD2  ASN   3          1HD2      ASN   3  -3.586  -1.745   3.262
   19   2HD2  ASN   3          2HD2      ASN   3  -4.639  -2.500   4.353
   20    H    PHE   4           HN       PHE   4  -1.962   2.117   1.510
   21    HA   PHE   4           HA       PHE   4  -1.386   0.607  -0.989
   22   1HB   PHE   4          2HB       PHE   4  -2.070   3.556  -0.952
   23   2HB   PHE   4          1HB       PHE   4  -1.837   2.532  -2.370
   24    HD1  PHE   4           1HD      PHE   4  -4.136   3.582   0.239
   25    HD2  PHE   4           2HD      PHE   4  -3.466   0.684  -2.856
   26    HE1  PHE   4           1HE      PHE   4  -6.539   2.965   0.304
   27    HE2  PHE   4           2HE      PHE   4  -5.870   0.066  -2.796
   28    HZ   PHE   4           HZ       PHE   4  -7.405   1.203  -1.215
   29    H    GLY   5           HN       GLY   5  -0.192   2.142   1.680
   30   1HA   GLY   5          2HA       GLY   5   2.428   2.625   0.352
   31   2HA   GLY   5          1HA       GLY   5   1.800   3.788   1.528
   32    H    ALA   6           HN       ALA   6   0.915   0.579   2.144
   33    HA   ALA   6           HA       ALA   6   3.052   0.112   4.055
   34   1HB   ALA   6          1HB       ALA   6   1.208   1.281   5.087
   35   2HB   ALA   6          2HB       ALA   6   1.183  -0.401   5.625
   36   3HB   ALA   6          3HB       ALA   6   0.078   0.141   4.360
   37    H    ILE   7           HN       ILE   7   0.686  -0.997   1.917
   38    HA   ILE   7           HA       ILE   7   0.729  -3.782   2.640
   39    HB   ILE   7           HB       ILE   7  -1.185  -3.744   1.579
   40   1HG1  ILE   7          2HG1      ILE   7  -1.280  -2.941  -0.813
   41   2HG1  ILE   7          1HG1      ILE   7   0.466  -2.704  -0.672
   42   1HG2  ILE   7          1HG2      ILE   7  -0.694  -0.907   0.753
   43   2HG2  ILE   7          2HG2      ILE   7  -1.072  -1.358   2.420
   44   3HG2  ILE   7          3HG2      ILE   7  -2.220  -1.702   1.130
   45   1HD1  ILE   7          1HD1      ILE   7  -1.030  -5.201  -0.876
   46   2HD1  ILE   7          2HD1      ILE   7   0.029  -5.172   0.533
   47   3HD1  ILE   7          3HD1      ILE   7   0.698  -4.916  -1.080
   48    H    LEU   8           HN       LEU   8   2.742  -1.751   0.889
   49    HA   LEU   8           HA       LEU   8   3.712  -3.766  -1.009
   50   1HB   LEU   8          2HB       LEU   8   4.870  -1.078  -0.222
   51   2HB   LEU   8          1HB       LEU   8   5.248  -1.987  -1.679
   52    HG   LEU   8           HG       LEU   8   3.710  -0.506  -2.544
   53   1HD1  LEU   8          1HD1      LEU   8   2.749  -2.670  -2.993
   54   2HD1  LEU   8          2HD1      LEU   8   1.434  -1.564  -2.604
   55   3HD1  LEU   8          3HD1      LEU   8   1.992  -2.722  -1.406
   56   1HD2  LEU   8          1HD2      LEU   8   2.550   0.898  -1.226
   57   2HD2  LEU   8          2HD2      LEU   8   3.184   0.014   0.161
   58   3HD2  LEU   8          3HD2      LEU   8   1.622  -0.429  -0.527
   59    H    SER   9           HN       SER   9   4.224  -3.073   2.235
   60    HA   SER   9           HA       SER   9   7.042  -3.998   2.284
   61   1HB   SER   9          2HB       SER   9   5.190  -2.476   3.965
   62   2HB   SER   9          1HB       SER   9   6.119  -3.653   4.889
   63    HG   SER   9           HG       SER   9   7.945  -2.650   4.355
   64    H    SER  10           HN       SER  10   3.882  -4.952   3.657
   65    HA   SER  10           HA       SER  10   4.651  -7.744   3.513
   66   1HB   SER  10          2HB       SER  10   5.506  -6.721   5.683
   67   2HB   SER  10          1HB       SER  10   3.818  -6.494   6.133
   68    HG   SER  10           HG       SER  10   4.392  -8.455   6.938
  Start of MODEL   22
    1   1H    SER   1          1HT       SER   1  -1.118   2.139   6.626
    2   2H    SER   1          2HT       SER   1  -1.364   0.484   6.923
    3   3H    SER   1          3HT       SER   1  -0.371   1.399   7.956
    4    HA   SER   1           HA       SER   1  -2.445   1.099   9.075
    5   1HB   SER   1          2HB       SER   1  -1.139   3.410   8.668
    6   2HB   SER   1          1HB       SER   1  -2.684   3.855   7.949
    7    HG   SER   1           HG       SER   1  -3.641   3.065   9.943
    8    H    ASN   2           HN       ASN   2  -2.936   2.610   5.869
    9    HA   ASN   2           HA       ASN   2  -5.766   1.927   5.981
   10   1HB   ASN   2          2HB       ASN   2  -4.015   3.773   4.414
   11   2HB   ASN   2          1HB       ASN   2  -5.592   3.331   3.757
   12   1HD2  ASN   2          1HD2      ASN   2  -4.109   5.649   5.648
   13   2HD2  ASN   2          2HD2      ASN   2  -5.448   6.156   6.560
   14    H    ASN   3           HN       ASN   3  -3.758   2.065   3.074
   15    HA   ASN   3           HA       ASN   3  -3.420  -0.707   2.609
   16   1HB   ASN   3          2HB       ASN   3  -6.109   0.213   2.416
   17   2HB   ASN   3          1HB       ASN   3  -5.567  -0.124   0.774
   18   1HD2  ASN   3          1HD2      ASN   3  -4.608  -1.768   3.827
   19   2HD2  ASN   3          2HD2      ASN   3  -5.151  -3.303   3.346
   20    H    PHE   4           HN       PHE   4  -1.595   1.048   2.033
   21    HA   PHE   4           HA       PHE   4  -1.575   1.258  -0.922
   22   1HB   PHE   4          2HB       PHE   4  -1.199   3.586   0.970
   23   2HB   PHE   4          1HB       PHE   4  -1.065   3.660  -0.790
   24    HD1  PHE   4           1HD      PHE   4  -3.091   2.970  -2.183
   25    HD2  PHE   4           2HD      PHE   4  -3.295   3.743   2.035
   26    HE1  PHE   4           1HE      PHE   4  -5.551   3.279  -2.361
   27    HE2  PHE   4           2HE      PHE   4  -5.754   4.057   1.861
   28    HZ   PHE   4           HZ       PHE   4  -6.881   3.821  -0.338
   29    H    GLY   5           HN       GLY   5   0.625   3.258   0.674
   30   1HA   GLY   5          2HA       GLY   5   2.907   1.737  -0.160
   31   2HA   GLY   5          1HA       GLY   5   2.956   3.105   0.958
   32    H    ALA   6           HN       ALA   6   0.807   1.474   2.514
   33    HA   ALA   6           HA       ALA   6   2.625   0.263   4.366
   34   1HB   ALA   6          1HB       ALA   6   0.317   1.555   4.555
   35   2HB   ALA   6          2HB       ALA   6   0.787   0.356   5.761
   36   3HB   ALA   6          3HB       ALA   6  -0.315  -0.089   4.456
   37    H    ILE   7           HN       ILE   7   0.515  -0.788   1.903
   38    HA   ILE   7           HA       ILE   7   0.615  -3.597   2.603
   39    HB   ILE   7           HB       ILE   7  -1.287  -3.602   1.526
   40   1HG1  ILE   7          2HG1      ILE   7  -1.370  -2.775  -0.862
   41   2HG1  ILE   7          1HG1      ILE   7   0.367  -2.483  -0.687
   42   1HG2  ILE   7          1HG2      ILE   7  -0.887  -0.751   0.744
   43   2HG2  ILE   7          2HG2      ILE   7  -1.272  -1.228   2.398
   44   3HG2  ILE   7          3HG2      ILE   7  -2.391  -1.592   1.088
   45   1HD1  ILE   7          1HD1      ILE   7   0.685  -4.680  -1.107
   46   2HD1  ILE   7          2HD1      ILE   7  -1.039  -5.025  -0.959
   47   3HD1  ILE   7          3HD1      ILE   7  -0.021  -4.982   0.481
   48    H    LEU   8           HN       LEU   8   2.476  -1.392   0.890
   49    HA   LEU   8           HA       LEU   8   3.609  -3.331  -1.024
   50   1HB   LEU   8          2HB       LEU   8   3.641  -0.433  -0.481
   51   2HB   LEU   8          1HB       LEU   8   5.162  -1.075  -1.103
   52    HG   LEU   8           HG       LEU   8   3.975  -2.114  -2.986
   53   1HD1  LEU   8          1HD1      LEU   8   1.610  -1.150  -1.426
   54   2HD1  LEU   8          2HD1      LEU   8   1.833  -2.667  -2.296
   55   3HD1  LEU   8          3HD1      LEU   8   1.491  -1.183  -3.185
   56   1HD2  LEU   8          1HD2      LEU   8   4.718   0.032  -3.565
   57   2HD2  LEU   8          2HD2      LEU   8   3.606   0.823  -2.449
   58   3HD2  LEU   8          3HD2      LEU   8   2.999   0.115  -3.946
   59    H    SER   9           HN       SER   9   3.978  -4.247   1.607
   60    HA   SER   9           HA       SER   9   6.937  -4.202   1.805
   61   1HB   SER   9          2HB       SER   9   4.973  -3.038   3.739
   62   2HB   SER   9          1HB       SER   9   6.396  -3.840   4.397
   63    HG   SER   9           HG       SER   9   6.341  -1.734   2.488
   64    H    SER  10           HN       SER  10   3.881  -5.412   3.201
   65    HA   SER  10           HA       SER  10   4.898  -8.122   3.104
   66   1HB   SER  10          2HB       SER  10   5.332  -6.635   5.359
   67   2HB   SER  10          1HB       SER  10   3.799  -7.412   5.744
   68    HG   SER  10           HG       SER  10   4.765  -9.300   5.795
  Start of MODEL   23
    1   1H    SER   1          1HT       SER   1   2.256   6.458   5.169
    2   2H    SER   1          2HT       SER   1   0.716   7.139   5.397
    3   3H    SER   1          3HT       SER   1   1.002   6.101   4.084
    4    HA   SER   1           HA       SER   1   1.453   4.270   5.683
    5   1HB   SER   1          2HB       SER   1   1.983   6.165   7.404
    6   2HB   SER   1          1HB       SER   1   0.247   6.161   7.700
    7    HG   SER   1           HG       SER   1   2.182   4.238   8.259
    8    H    ASN   2           HN       ASN   2  -0.283   3.857   4.007
    9    HA   ASN   2           HA       ASN   2  -2.916   3.835   5.263
   10   1HB   ASN   2          2HB       ASN   2  -2.048   5.446   3.054
   11   2HB   ASN   2          1HB       ASN   2  -3.269   4.307   2.489
   12   1HD2  ASN   2          1HD2      ASN   2  -3.453   7.312   3.017
   13   2HD2  ASN   2          2HD2      ASN   2  -4.771   7.475   4.075
   14    H    ASN   3           HN       ASN   3  -4.246   2.693   3.030
   15    HA   ASN   3           HA       ASN   3  -3.236  -0.017   3.157
   16   1HB   ASN   3          2HB       ASN   3  -5.718   1.341   2.132
   17   2HB   ASN   3          1HB       ASN   3  -5.439  -0.382   1.875
   18   1HD2  ASN   3          1HD2      ASN   3  -4.987  -1.682   3.949
   19   2HD2  ASN   3          2HD2      ASN   3  -5.781  -1.199   5.369
   20    H    PHE   4           HN       PHE   4  -1.583   1.786   1.631
   21    HA   PHE   4           HA       PHE   4  -1.701   0.462  -1.006
   22   1HB   PHE   4          2HB       PHE   4  -1.366   3.439  -0.712
   23   2HB   PHE   4          1HB       PHE   4  -1.684   2.539  -2.194
   24    HD1  PHE   4           1HD      PHE   4  -3.917   1.223  -2.326
   25    HD2  PHE   4           2HD      PHE   4  -3.129   4.309   0.553
   26    HE1  PHE   4           1HE      PHE   4  -6.355   1.499  -1.953
   27    HE2  PHE   4           2HE      PHE   4  -5.566   4.587   0.928
   28    HZ   PHE   4           HZ       PHE   4  -7.179   3.180  -0.326
   29    H    GLY   5           HN       GLY   5  -0.050   2.576   1.140
   30   1HA   GLY   5          2HA       GLY   5   2.588   1.918  -0.040
   31   2HA   GLY   5          1HA       GLY   5   2.297   3.162   1.183
   32    H    ALA   6           HN       ALA   6   0.562   1.276   2.725
   33    HA   ALA   6           HA       ALA   6   2.602   0.103   4.376
   34   1HB   ALA   6          1HB       ALA   6   0.766  -0.319   5.824
   35   2HB   ALA   6          2HB       ALA   6  -0.362  -0.330   4.467
   36   3HB   ALA   6          3HB       ALA   6   0.370   1.186   4.994
   37    H    ILE   7           HN       ILE   7   0.526  -0.893   1.905
   38    HA   ILE   7           HA       ILE   7   0.675  -3.742   2.367
   39    HB   ILE   7           HB       ILE   7  -1.148  -3.689   1.152
   40   1HG1  ILE   7          2HG1      ILE   7  -1.082  -2.653  -1.155
   41   2HG1  ILE   7          1HG1      ILE   7   0.633  -2.355  -0.835
   42   1HG2  ILE   7          1HG2      ILE   7  -1.282  -1.431   2.233
   43   2HG2  ILE   7          2HG2      ILE   7  -2.236  -1.633   0.765
   44   3HG2  ILE   7          3HG2      ILE   7  -0.707  -0.759   0.705
   45   1HD1  ILE   7          1HD1      ILE   7   0.211  -4.951   0.086
   46   2HD1  ILE   7          2HD1      ILE   7   1.021  -4.504  -1.415
   47   3HD1  ILE   7          3HD1      ILE   7  -0.700  -4.881  -1.421
   48    H    LEU   8           HN       LEU   8   2.668  -1.416   1.002
   49    HA   LEU   8           HA       LEU   8   3.910  -3.134  -1.030
   50   1HB   LEU   8          2HB       LEU   8   3.988  -0.354  -0.083
   51   2HB   LEU   8          1HB       LEU   8   5.557  -0.970  -0.607
   52    HG   LEU   8           HG       LEU   8   4.544  -1.717  -2.735
   53   1HD1  LEU   8          1HD1      LEU   8   2.312  -2.019  -2.784
   54   2HD1  LEU   8          2HD1      LEU   8   2.125  -0.265  -2.769
   55   3HD1  LEU   8          3HD1      LEU   8   2.118  -1.165  -1.254
   56   1HD2  LEU   8          1HD2      LEU   8   4.136   0.551  -3.668
   57   2HD2  LEU   8          2HD2      LEU   8   5.551   0.513  -2.618
   58   3HD2  LEU   8          3HD2      LEU   8   4.034   1.188  -2.027
   59    H    SER   9           HN       SER   9   4.043  -3.193   2.275
   60    HA   SER   9           HA       SER   9   6.703  -4.495   2.257
   61   1HB   SER   9          2HB       SER   9   6.271  -1.793   3.026
   62   2HB   SER   9          1HB       SER   9   6.556  -2.701   4.508
   63    HG   SER   9           HG       SER   9   8.412  -3.607   3.384
   64    H    SER  10           HN       SER  10   4.660  -3.190   4.877
   65    HA   SER  10           HA       SER  10   3.714  -5.838   5.577
   66   1HB   SER  10          2HB       SER  10   5.888  -5.855   6.603
   67   2HB   SER  10          1HB       SER  10   5.660  -4.222   7.225
   68    HG   SER  10           HG       SER  10   4.858  -6.620   8.245
  Start of MODEL   24
    1   1H    SER   1          1HT       SER   1  -0.560   5.521   8.285
    2   2H    SER   1          2HT       SER   1  -1.721   4.339   8.664
    3   3H    SER   1          3HT       SER   1  -2.212   5.900   8.208
    4    HA   SER   1           HA       SER   1  -1.257   5.545   5.980
    5   1HB   SER   1          2HB       SER   1  -0.895   2.708   6.967
    6   2HB   SER   1          1HB       SER   1  -0.269   3.423   5.484
    7    HG   SER   1           HG       SER   1   1.375   4.125   6.579
    8    H    ASN   2           HN       ASN   2  -2.619   4.475   4.329
    9    HA   ASN   2           HA       ASN   2  -5.256   3.799   5.367
   10   1HB   ASN   2          2HB       ASN   2  -4.187   4.620   2.667
   11   2HB   ASN   2          1HB       ASN   2  -5.884   4.235   2.955
   12   1HD2  ASN   2          1HD2      ASN   2  -4.263   6.892   2.417
   13   2HD2  ASN   2          2HD2      ASN   2  -4.897   7.953   3.580
   14    H    ASN   3           HN       ASN   3  -3.638   2.741   2.390
   15    HA   ASN   3           HA       ASN   3  -3.307   0.011   3.098
   16   1HB   ASN   3          2HB       ASN   3  -5.963   0.954   2.239
   17   2HB   ASN   3          1HB       ASN   3  -5.378  -0.436   1.323
   18   1HD2  ASN   3          1HD2      ASN   3  -3.848  -1.664   3.467
   19   2HD2  ASN   3          2HD2      ASN   3  -4.952  -2.221   4.627
   20    H    PHE   4           HN       PHE   4  -1.800   1.952   1.678
   21    HA   PHE   4           HA       PHE   4  -1.495   0.576  -0.914
   22   1HB   PHE   4          2HB       PHE   4  -1.821   3.562  -0.635
   23   2HB   PHE   4          1HB       PHE   4  -1.582   2.687  -2.148
   24    HD1  PHE   4           1HD      PHE   4  -3.327   0.958  -2.848
   25    HD2  PHE   4           2HD      PHE   4  -3.976   3.799   0.307
   26    HE1  PHE   4           1HE      PHE   4  -5.774   0.585  -3.014
   27    HE2  PHE   4           2HE      PHE   4  -6.422   3.429   0.140
   28    HZ   PHE   4           HZ       PHE   4  -7.323   1.821  -1.521
   29    H    GLY   5           HN       GLY   5  -0.300   2.864   1.352
   30   1HA   GLY   5          2HA       GLY   5   2.463   2.588   0.285
   31   2HA   GLY   5          1HA       GLY   5   1.937   3.843   1.411
   32    H    ALA   6           HN       ALA   6   0.866   0.607   1.947
   33    HA   ALA   6           HA       ALA   6   2.827   0.147   4.042
   34   1HB   ALA   6          1HB       ALA   6   1.030  -0.082   5.575
   35   2HB   ALA   6          2HB       ALA   6  -0.131  -0.166   4.248
   36   3HB   ALA   6          3HB       ALA   6   0.671   1.360   4.623
   37    H    ILE   7           HN       ILE   7   0.646  -0.997   1.727
   38    HA   ILE   7           HA       ILE   7   0.691  -3.795   2.470
   39    HB   ILE   7           HB       ILE   7  -1.199  -3.748   1.390
   40   1HG1  ILE   7          2HG1      ILE   7  -1.221  -2.955  -1.029
   41   2HG1  ILE   7          1HG1      ILE   7   0.534  -2.831  -0.844
   42   1HG2  ILE   7          1HG2      ILE   7  -0.616  -0.922   0.571
   43   2HG2  ILE   7          2HG2      ILE   7  -1.160  -1.387   2.187
   44   3HG2  ILE   7          3HG2      ILE   7  -2.188  -1.686   0.788
   45   1HD1  ILE   7          1HD1      ILE   7  -1.155  -5.240  -0.934
   46   2HD1  ILE   7          2HD1      ILE   7   0.001  -5.222   0.396
   47   3HD1  ILE   7          3HD1      ILE   7   0.568  -5.066  -1.268
   48    H    LEU   8           HN       LEU   8   3.010  -1.867   1.133
   49    HA   LEU   8           HA       LEU   8   3.878  -3.674  -1.031
   50   1HB   LEU   8          2HB       LEU   8   5.280  -1.329   0.295
   51   2HB   LEU   8          1HB       LEU   8   5.695  -2.047  -1.255
   52    HG   LEU   8           HG       LEU   8   4.438  -0.292  -2.027
   53   1HD1  LEU   8          1HD1      LEU   8   3.182  -2.546  -2.413
   54   2HD1  LEU   8          2HD1      LEU   8   2.340  -1.035  -2.749
   55   3HD1  LEU   8          3HD1      LEU   8   2.025  -1.903  -1.248
   56   1HD2  LEU   8          1HD2      LEU   8   2.337  -0.280   0.063
   57   2HD2  LEU   8          2HD2      LEU   8   3.183   1.068  -0.696
   58   3HD2  LEU   8          3HD2      LEU   8   3.958   0.158   0.601
   59    H    SER   9           HN       SER   9   3.891  -4.167   2.177
   60    HA   SER   9           HA       SER   9   6.396  -5.756   2.067
   61   1HB   SER   9          2HB       SER   9   5.784  -3.451   3.918
   62   2HB   SER   9          1HB       SER   9   6.935  -4.703   4.373
   63    HG   SER   9           HG       SER   9   7.363  -2.607   2.857
   64    H    SER  10           HN       SER  10   4.227  -4.691   4.703
   65    HA   SER  10           HA       SER  10   3.050  -7.331   4.899
   66   1HB   SER  10          2HB       SER  10   5.187  -6.262   6.650
   67   2HB   SER  10          1HB       SER  10   3.867  -7.097   7.466
   68    HG   SER  10           HG       SER  10   4.252  -8.880   6.114
  Start of MODEL   25
    1   1H    SER   1          1HT       SER   1  -2.935   6.886   7.299
    2   2H    SER   1          2HT       SER   1  -1.342   6.538   7.776
    3   3H    SER   1          3HT       SER   1  -2.615   5.512   8.241
    4    HA   SER   1           HA       SER   1  -1.627   5.930   5.461
    5   1HB   SER   1          2HB       SER   1  -1.521   3.592   7.396
    6   2HB   SER   1          1HB       SER   1  -0.840   3.615   5.771
    7    HG   SER   1           HG       SER   1  -0.043   5.009   8.086
    8    H    ASN   2           HN       ASN   2  -2.850   4.741   3.886
    9    HA   ASN   2           HA       ASN   2  -5.581   4.123   4.694
   10   1HB   ASN   2          2HB       ASN   2  -4.205   4.694   2.076
   11   2HB   ASN   2          1HB       ASN   2  -5.899   4.211   2.165
   12   1HD2  ASN   2          1HD2      ASN   2  -7.384   5.684   3.389
   13   2HD2  ASN   2          2HD2      ASN   2  -6.985   7.324   3.556
   14    H    ASN   3           HN       ASN   3  -3.714   2.766   2.012
   15    HA   ASN   3           HA       ASN   3  -3.332   0.161   3.088
   16   1HB   ASN   3          2HB       ASN   3  -5.984   0.865   2.194
   17   2HB   ASN   3          1HB       ASN   3  -5.336  -0.405   1.156
   18   1HD2  ASN   3          1HD2      ASN   3  -6.544   0.299   4.350
   19   2HD2  ASN   3          2HD2      ASN   3  -6.373  -1.267   4.981
   20    H    PHE   4           HN       PHE   4  -1.993   2.151   1.387
   21    HA   PHE   4           HA       PHE   4  -1.311   0.355  -0.889
   22   1HB   PHE   4          2HB       PHE   4  -1.999   3.289  -1.210
   23   2HB   PHE   4          1HB       PHE   4  -1.678   2.125  -2.498
   24    HD1  PHE   4           1HD      PHE   4  -4.138   3.447  -0.191
   25    HD2  PHE   4           2HD      PHE   4  -3.257   0.181  -2.835
   26    HE1  PHE   4           1HE      PHE   4  -6.536   2.811  -0.196
   27    HE2  PHE   4           2HE      PHE   4  -5.657  -0.456  -2.845
   28    HZ   PHE   4           HZ       PHE   4  -7.295   0.857  -1.524
   29    H    GLY   5           HN       GLY   5  -0.236   2.189   1.639
   30   1HA   GLY   5          2HA       GLY   5   2.414   2.646   0.344
   31   2HA   GLY   5          1HA       GLY   5   1.758   3.764   1.545
   32    H    ALA   6           HN       ALA   6   0.819   0.638   2.244
   33    HA   ALA   6           HA       ALA   6   3.024   0.146   4.081
   34   1HB   ALA   6          1HB       ALA   6   0.123  -0.278   4.613
   35   2HB   ALA   6          2HB       ALA   6   0.871   1.299   4.867
   36   3HB   ALA   6          3HB       ALA   6   1.419  -0.099   5.794
   37    H    ILE   7           HN       ILE   7   0.644  -1.010   1.975
   38    HA   ILE   7           HA       ILE   7   0.834  -3.810   2.665
   39    HB   ILE   7           HB       ILE   7  -1.145  -3.820   1.753
   40   1HG1  ILE   7          2HG1      ILE   7  -1.412  -3.007  -0.638
   41   2HG1  ILE   7          1HG1      ILE   7   0.342  -2.794  -0.606
   42   1HG2  ILE   7          1HG2      ILE   7  -0.789  -0.977   0.885
   43   2HG2  ILE   7          2HG2      ILE   7  -1.066  -1.436   2.569
   44   3HG2  ILE   7          3HG2      ILE   7  -2.270  -1.812   1.342
   45   1HD1  ILE   7          1HD1      ILE   7   0.480  -5.015  -1.049
   46   2HD1  ILE   7          2HD1      ILE   7  -1.213  -5.280  -0.635
   47   3HD1  ILE   7          3HD1      ILE   7   0.008  -5.235   0.636
   48    H    LEU   8           HN       LEU   8   2.849  -1.739   1.029
   49    HA   LEU   8           HA       LEU   8   3.644  -3.555  -1.142
   50   1HB   LEU   8          2HB       LEU   8   4.984  -1.072  -0.015
   51   2HB   LEU   8          1HB       LEU   8   5.324  -1.816  -1.573
   52    HG   LEU   8           HG       LEU   8   3.882  -0.185  -2.290
   53   1HD1  LEU   8          1HD1      LEU   8   1.767  -1.093  -2.779
   54   2HD1  LEU   8          2HD1      LEU   8   1.700  -1.982  -1.262
   55   3HD1  LEU   8          3HD1      LEU   8   2.783  -2.515  -2.544
   56   1HD2  LEU   8          1HD2      LEU   8   3.391   0.072   0.490
   57   2HD2  LEU   8          2HD2      LEU   8   1.814  -0.053  -0.289
   58   3HD2  LEU   8          3HD2      LEU   8   2.949   1.199  -0.791
   59    H    SER   9           HN       SER   9   4.100  -3.637   2.141
   60    HA   SER   9           HA       SER   9   6.943  -4.446   2.123
   61   1HB   SER   9          2HB       SER   9   6.501  -4.642   4.574
   62   2HB   SER   9          1HB       SER   9   6.025  -3.071   3.933
   63    HG   SER   9           HG       SER   9   4.030  -3.518   4.412
   64    H    SER  10           HN       SER  10   3.886  -5.964   3.232
   65    HA   SER  10           HA       SER  10   4.675  -8.491   2.051
   66   1HB   SER  10          2HB       SER  10   5.837  -8.394   4.235
   67   2HB   SER  10          1HB       SER  10   4.288  -8.121   5.029
   68    HG   SER  10           HG       SER  10   5.424 -10.428   4.219
  Start of MODEL   26
    1   1H    SER   1          1HT       SER   1  -3.549   1.247   8.266
    2   2H    SER   1          2HT       SER   1  -3.543   1.811   9.868
    3   3H    SER   1          3HT       SER   1  -3.140   2.860   8.594
    4    HA   SER   1           HA       SER   1  -5.807   1.759   9.283
    5   1HB   SER   1          2HB       SER   1  -4.880   3.806  10.386
    6   2HB   SER   1          1HB       SER   1  -4.698   4.543   8.797
    7    HG   SER   1           HG       SER   1  -6.963   4.284   8.526
    8    H    ASN   2           HN       ASN   2  -3.736   2.904   6.691
    9    HA   ASN   2           HA       ASN   2  -5.979   3.085   4.842
   10   1HB   ASN   2          2HB       ASN   2  -3.035   3.664   4.473
   11   2HB   ASN   2          1HB       ASN   2  -4.329   4.142   3.376
   12   1HD2  ASN   2          1HD2      ASN   2  -2.406   5.343   5.832
   13   2HD2  ASN   2          2HD2      ASN   2  -3.419   6.585   6.388
   14    H    ASN   3           HN       ASN   3  -4.179   2.379   2.568
   15    HA   ASN   3           HA       ASN   3  -3.322  -0.339   2.925
   16   1HB   ASN   3          2HB       ASN   3  -6.046   0.367   1.991
   17   2HB   ASN   3          1HB       ASN   3  -5.223  -0.886   1.062
   18   1HD2  ASN   3          1HD2      ASN   3  -7.096  -0.353   3.851
   19   2HD2  ASN   3          2HD2      ASN   3  -6.776  -1.821   4.644
   20    H    PHE   4           HN       PHE   4  -1.587   1.255   1.988
   21    HA   PHE   4           HA       PHE   4  -1.514   0.880  -0.950
   22   1HB   PHE   4          2HB       PHE   4  -1.167   3.543   0.429
   23   2HB   PHE   4          1HB       PHE   4  -1.075   3.255  -1.310
   24    HD1  PHE   4           1HD      PHE   4  -3.158   2.175  -2.429
   25    HD2  PHE   4           2HD      PHE   4  -3.206   4.033   1.440
   26    HE1  PHE   4           1HE      PHE   4  -5.622   2.446  -2.590
   27    HE2  PHE   4           2HE      PHE   4  -5.669   4.308   1.282
   28    HZ   PHE   4           HZ       PHE   4  -6.877   3.512  -0.734
   29    H    GLY   5           HN       GLY   5   0.529   3.135   0.596
   30   1HA   GLY   5          2HA       GLY   5   2.936   1.752  -0.106
   31   2HA   GLY   5          1HA       GLY   5   2.850   3.118   1.010
   32    H    ALA   6           HN       ALA   6   0.729   1.425   2.488
   33    HA   ALA   6           HA       ALA   6   2.515   0.265   4.403
   34   1HB   ALA   6          1HB       ALA   6   0.607   1.397   5.207
   35   2HB   ALA   6          2HB       ALA   6   0.215  -0.311   5.412
   36   3HB   ALA   6          3HB       ALA   6  -0.434   0.585   4.039
   37    H    ILE   7           HN       ILE   7   0.491  -0.833   1.887
   38    HA   ILE   7           HA       ILE   7   0.656  -3.638   2.578
   39    HB   ILE   7           HB       ILE   7  -1.219  -3.702   1.450
   40   1HG1  ILE   7          2HG1      ILE   7  -1.277  -2.869  -0.931
   41   2HG1  ILE   7          1HG1      ILE   7   0.436  -2.484  -0.711
   42   1HG2  ILE   7          1HG2      ILE   7  -2.379  -1.721   1.009
   43   2HG2  ILE   7          2HG2      ILE   7  -0.893  -0.829   0.713
   44   3HG2  ILE   7          3HG2      ILE   7  -1.303  -1.340   2.351
   45   1HD1  ILE   7          1HD1      ILE   7   0.903  -4.652  -1.119
   46   2HD1  ILE   7          2HD1      ILE   7  -0.805  -5.089  -1.072
   47   3HD1  ILE   7          3HD1      ILE   7   0.131  -5.022   0.422
   48    H    LEU   8           HN       LEU   8   2.389  -1.347   0.820
   49    HA   LEU   8           HA       LEU   8   3.688  -3.261  -1.005
   50   1HB   LEU   8          2HB       LEU   8   3.504  -0.356  -0.561
   51   2HB   LEU   8          1HB       LEU   8   5.085  -0.900  -1.124
   52    HG   LEU   8           HG       LEU   8   4.033  -2.077  -3.004
   53   1HD1  LEU   8          1HD1      LEU   8   1.925  -2.697  -1.997
   54   2HD1  LEU   8          2HD1      LEU   8   1.575  -1.682  -3.395
   55   3HD1  LEU   8          3HD1      LEU   8   1.482  -1.006  -1.769
   56   1HD2  LEU   8          1HD2      LEU   8   3.049  -0.029  -4.153
   57   2HD2  LEU   8          2HD2      LEU   8   4.659   0.194  -3.466
   58   3HD2  LEU   8          3HD2      LEU   8   3.243   0.821  -2.620
   59    H    SER   9           HN       SER   9   4.029  -2.685   2.236
   60    HA   SER   9           HA       SER   9   6.822  -3.676   2.222
   61   1HB   SER   9          2HB       SER   9   7.135  -1.293   2.188
   62   2HB   SER   9          1HB       SER   9   5.864  -1.046   3.381
   63    HG   SER   9           HG       SER   9   7.856  -0.950   4.405
   64    H    SER  10           HN       SER  10   4.923  -2.122   4.802
   65    HA   SER  10           HA       SER  10   4.250  -4.677   5.992
   66   1HB   SER  10          2HB       SER  10   6.252  -2.735   7.141
   67   2HB   SER  10          1HB       SER  10   5.487  -3.991   8.113
   68    HG   SER  10           HG       SER  10   6.304  -5.505   6.551
  Start of MODEL   27
    1   1H    SER   1          1HT       SER   1  -0.751  -3.280  -1.343
    2   2H    SER   1          2HT       SER   1  -1.842  -2.188  -2.054
    3   3H    SER   1          3HT       SER   1  -0.726  -3.029  -3.021
    4    HA   SER   1           HA       SER   1  -2.756  -4.152  -3.349
    5   1HB   SER   1          2HB       SER   1  -1.312  -5.646  -1.152
    6   2HB   SER   1          1HB       SER   1  -2.086  -6.311  -2.588
    7    HG   SER   1           HG       SER   1  -0.457  -5.543  -3.827
    8    H    ASN   2           HN       ASN   2  -2.315  -2.983  -0.107
    9    HA   ASN   2           HA       ASN   2  -4.832  -4.123   0.813
   10   1HB   ASN   2          2HB       ASN   2  -2.347  -3.070   1.949
   11   2HB   ASN   2          1HB       ASN   2  -3.787  -2.578   2.839
   12   1HD2  ASN   2          1HD2      ASN   2  -5.429  -4.601   3.075
   13   2HD2  ASN   2          2HD2      ASN   2  -4.692  -6.039   3.593
   14    H    ASN   3           HN       ASN   3  -3.284  -0.921   0.768
   15    HA   ASN   3           HA       ASN   3  -5.476   0.462  -0.327
   16   1HB   ASN   3          2HB       ASN   3  -6.118  -0.401   2.135
   17   2HB   ASN   3          1HB       ASN   3  -5.350   1.129   2.557
   18   1HD2  ASN   3          1HD2      ASN   3  -6.200   2.212  -0.190
   19   2HD2  ASN   3          2HD2      ASN   3  -7.836   2.597   0.010
   20    H    PHE   4           HN       PHE   4  -2.490   0.511   1.307
   21    HA   PHE   4           HA       PHE   4  -1.975   3.263   0.374
   22   1HB   PHE   4          2HB       PHE   4  -0.567   2.628   2.811
   23   2HB   PHE   4          1HB       PHE   4  -1.726   3.920   2.531
   24    HD1  PHE   4           1HD      PHE   4  -3.871   3.836   3.511
   25    HD2  PHE   4           2HD      PHE   4  -1.460   0.283   3.361
   26    HE1  PHE   4           1HE      PHE   4  -5.501   2.671   4.969
   27    HE2  PHE   4           2HE      PHE   4  -3.092  -0.884   4.816
   28    HZ   PHE   4           HZ       PHE   4  -5.112   0.309   5.622
   29    H    GLY   5           HN       GLY   5   0.734   3.068   1.540
   30   1HA   GLY   5          2HA       GLY   5   1.808   0.902  -0.214
   31   2HA   GLY   5          1HA       GLY   5   2.632   2.442   0.034
   32    H    ALA   6           HN       ALA   6   1.017   0.841   2.680
   33    HA   ALA   6           HA       ALA   6   3.495   0.683   4.140
   34   1HB   ALA   6          1HB       ALA   6   0.968  -0.422   5.197
   35   2HB   ALA   6          2HB       ALA   6   0.976   1.296   4.796
   36   3HB   ALA   6          3HB       ALA   6   2.119   0.661   5.980
   37    H    ILE   7           HN       ILE   7   1.194  -1.454   2.783
   38    HA   ILE   7           HA       ILE   7   2.561  -3.859   3.661
   39    HB   ILE   7           HB       ILE   7   0.518  -4.647   3.646
   40   1HG1  ILE   7          2HG1      ILE   7  -0.867  -4.527   1.550
   41   2HG1  ILE   7          1HG1      ILE   7   0.502  -3.675   0.821
   42   1HG2  ILE   7          1HG2      ILE   7  -0.458  -2.048   2.540
   43   2HG2  ILE   7          2HG2      ILE   7   0.078  -2.238   4.213
   44   3HG2  ILE   7          3HG2      ILE   7  -1.296  -3.164   3.615
   45   1HD1  ILE   7          1HD1      ILE   7   1.631  -5.834   2.220
   46   2HD1  ILE   7          2HD1      ILE   7   1.491  -5.668   0.470
   47   3HD1  ILE   7          3HD1      ILE   7   0.234  -6.507   1.380
   48    H    LEU   8           HN       LEU   8   2.366  -1.799   0.990
   49    HA   LEU   8           HA       LEU   8   3.465  -3.770  -0.899
   50   1HB   LEU   8          2HB       LEU   8   2.130  -2.589  -2.260
   51   2HB   LEU   8          1HB       LEU   8   1.782  -1.471  -0.950
   52    HG   LEU   8           HG       LEU   8   2.684  -0.270  -2.857
   53   1HD1  LEU   8          1HD1      LEU   8   3.732   1.078  -1.396
   54   2HD1  LEU   8          2HD1      LEU   8   5.070  -0.056  -1.229
   55   3HD1  LEU   8          3HD1      LEU   8   3.637  -0.225  -0.214
   56   1HD2  LEU   8          1HD2      LEU   8   4.390  -2.592  -2.979
   57   2HD2  LEU   8          2HD2      LEU   8   5.392  -1.143  -2.880
   58   3HD2  LEU   8          3HD2      LEU   8   4.201  -1.305  -4.170
   59    H    SER   9           HN       SER   9   4.555  -1.473   1.297
   60    HA   SER   9           HA       SER   9   7.094  -0.913  -0.105
   61   1HB   SER   9          2HB       SER   9   6.135   0.885   1.142
   62   2HB   SER   9          1HB       SER   9   5.828  -0.148   2.535
   63    HG   SER   9           HG       SER   9   8.258   0.908   1.573
   64    H    SER  10           HN       SER  10   6.626  -1.884   3.291
   65    HA   SER  10           HA       SER  10   8.173  -4.304   2.924
   66   1HB   SER  10          2HB       SER  10   9.772  -2.347   3.068
   67   2HB   SER  10          1HB       SER  10   9.180  -2.082   4.706
   68    HG   SER  10           HG       SER  10  10.155  -3.869   5.361
  Start of MODEL   28
    1   1H    SER   1          1HT       SER   1  -2.010  -7.177  -1.629
    2   2H    SER   1          2HT       SER   1  -1.267  -7.129  -0.101
    3   3H    SER   1          3HT       SER   1  -0.332  -6.960  -1.510
    4    HA   SER   1           HA       SER   1  -0.592  -4.790  -0.559
    5   1HB   SER   1          2HB       SER   1  -0.588  -4.894  -2.952
    6   2HB   SER   1          1HB       SER   1  -2.244  -5.491  -2.996
    7    HG   SER   1           HG       SER   1  -2.135  -3.260  -3.463
    8    H    ASN   2           HN       ASN   2  -1.896  -3.371   0.628
    9    HA   ASN   2           HA       ASN   2  -4.559  -4.320   1.350
   10   1HB   ASN   2          2HB       ASN   2  -2.382  -2.760   2.627
   11   2HB   ASN   2          1HB       ASN   2  -4.030  -2.402   3.138
   12   1HD2  ASN   2          1HD2      ASN   2  -4.238  -3.494   5.121
   13   2HD2  ASN   2          2HD2      ASN   2  -3.891  -5.141   5.346
   14    H    ASN   3           HN       ASN   3  -3.227  -1.024   1.392
   15    HA   ASN   3           HA       ASN   3  -4.728  -0.026  -0.810
   16   1HB   ASN   3          2HB       ASN   3  -6.073  -0.385   1.771
   17   2HB   ASN   3          1HB       ASN   3  -6.194   1.268   1.169
   18   1HD2  ASN   3          1HD2      ASN   3  -6.152   0.581  -1.669
   19   2HD2  ASN   3          2HD2      ASN   3  -7.615  -0.199  -2.020
   20    H    PHE   4           HN       PHE   4  -2.144   0.227   0.706
   21    HA   PHE   4           HA       PHE   4  -1.972   3.183   0.662
   22   1HB   PHE   4          2HB       PHE   4  -0.860   1.574   2.965
   23   2HB   PHE   4          1HB       PHE   4  -1.205   3.298   2.905
   24    HD1  PHE   4           1HD      PHE   4  -2.600  -0.058   3.412
   25    HD2  PHE   4           2HD      PHE   4  -3.509   4.130   3.124
   26    HE1  PHE   4           1HE      PHE   4  -4.838  -0.474   4.400
   27    HE2  PHE   4           2HE      PHE   4  -5.746   3.715   4.111
   28    HZ   PHE   4           HZ       PHE   4  -6.410   1.413   4.750
   29    H    GLY   5           HN       GLY   5   0.682   2.997   1.923
   30   1HA   GLY   5          2HA       GLY   5   2.128   1.428  -0.170
   31   2HA   GLY   5          1HA       GLY   5   2.697   3.002   0.394
   32    H    ALA   6           HN       ALA   6   1.228   0.953   2.757
   33    HA   ALA   6           HA       ALA   6   3.789   0.692   4.086
   34   1HB   ALA   6          1HB       ALA   6   2.142  -0.149   5.926
   35   2HB   ALA   6          2HB       ALA   6   0.921   0.513   4.838
   36   3HB   ALA   6          3HB       ALA   6   2.169   1.564   5.507
   37    H    ILE   7           HN       ILE   7   1.191  -1.293   3.039
   38    HA   ILE   7           HA       ILE   7   2.565  -3.755   3.704
   39    HB   ILE   7           HB       ILE   7   0.524  -4.418   4.107
   40   1HG1  ILE   7          2HG1      ILE   7  -1.213  -4.277   2.292
   41   2HG1  ILE   7          1HG1      ILE   7   0.050  -3.549   1.290
   42   1HG2  ILE   7          1HG2      ILE   7  -0.488  -1.792   3.083
   43   2HG2  ILE   7          2HG2      ILE   7   0.297  -1.982   4.653
   44   3HG2  ILE   7          3HG2      ILE   7  -1.209  -2.830   4.309
   45   1HD1  ILE   7          1HD1      ILE   7   0.822  -5.625   0.865
   46   2HD1  ILE   7          2HD1      ILE   7  -0.285  -6.335   2.042
   47   3HD1  ILE   7          3HD1      ILE   7   1.285  -5.722   2.563
   48    H    LEU   8           HN       LEU   8   2.061  -1.741   1.032
   49    HA   LEU   8           HA       LEU   8   2.636  -3.861  -0.923
   50   1HB   LEU   8          2HB       LEU   8   1.192  -2.597  -2.090
   51   2HB   LEU   8          1HB       LEU   8   1.191  -1.402  -0.801
   52    HG   LEU   8           HG       LEU   8   1.856  -0.375  -2.902
   53   1HD1  LEU   8          1HD1      LEU   8   3.245  -0.329  -0.460
   54   2HD1  LEU   8          2HD1      LEU   8   3.261   0.913  -1.710
   55   3HD1  LEU   8          3HD1      LEU   8   4.495  -0.346  -1.704
   56   1HD2  LEU   8          1HD2      LEU   8   4.429  -1.523  -3.321
   57   2HD2  LEU   8          2HD2      LEU   8   3.028  -1.607  -4.389
   58   3HD2  LEU   8          3HD2      LEU   8   3.289  -2.862  -3.179
   59    H    SER   9           HN       SER   9   4.264  -1.569   0.925
   60    HA   SER   9           HA       SER   9   6.614  -1.431  -0.880
   61   1HB   SER   9          2HB       SER   9   5.853  -0.192   1.777
   62   2HB   SER   9          1HB       SER   9   7.428   0.057   1.028
   63    HG   SER   9           HG       SER   9   6.043   1.701   0.389
   64    H    SER  10           HN       SER  10   5.997  -4.050   0.123
   65    HA   SER  10           HA       SER  10   8.478  -4.634   1.500
   66   1HB   SER  10          2HB       SER  10   6.002  -4.319   2.864
   67   2HB   SER  10          1HB       SER  10   6.405  -6.033   2.896
   68    HG   SER  10           HG       SER  10   7.938  -5.595   4.253
  Start of MODEL   29
    1   1H    SER   1          1HT       SER   1  -5.280  -7.066   3.980
    2   2H    SER   1          2HT       SER   1  -5.539  -6.586   2.370
    3   3H    SER   1          3HT       SER   1  -6.624  -7.652   3.129
    4    HA   SER   1           HA       SER   1  -7.645  -5.498   3.088
    5   1HB   SER   1          2HB       SER   1  -7.620  -7.108   5.114
    6   2HB   SER   1          1HB       SER   1  -6.506  -5.960   5.850
    7    HG   SER   1           HG       SER   1  -8.635  -5.450   6.407
    8    H    ASN   2           HN       ASN   2  -5.880  -4.199   1.876
    9    HA   ASN   2           HA       ASN   2  -4.784  -2.193   3.690
   10   1HB   ASN   2          2HB       ASN   2  -2.661  -2.255   2.386
   11   2HB   ASN   2          1HB       ASN   2  -3.001  -3.786   3.191
   12   1HD2  ASN   2          1HD2      ASN   2  -2.954  -2.167   0.031
   13   2HD2  ASN   2          2HD2      ASN   2  -3.078  -3.587  -0.891
   14    H    ASN   3           HN       ASN   3  -3.836  -0.310   2.163
   15    HA   ASN   3           HA       ASN   3  -5.061   0.067  -0.390
   16   1HB   ASN   3          2HB       ASN   3  -7.112   0.207   0.821
   17   2HB   ASN   3          1HB       ASN   3  -6.364   1.136   2.118
   18   1HD2  ASN   3          1HD2      ASN   3  -6.209   3.408   1.870
   19   2HD2  ASN   3          2HD2      ASN   3  -6.854   4.244   0.542
   20    H    PHE   4           HN       PHE   4  -2.513   0.451   1.159
   21    HA   PHE   4           HA       PHE   4  -1.970   3.247   0.359
   22   1HB   PHE   4          2HB       PHE   4  -0.622   2.507   2.802
   23   2HB   PHE   4          1HB       PHE   4  -1.751   3.831   2.538
   24    HD1  PHE   4           1HD      PHE   4  -4.156   3.539   2.978
   25    HD2  PHE   4           2HD      PHE   4  -1.346   0.372   3.702
   26    HE1  PHE   4           1HE      PHE   4  -5.859   2.336   4.319
   27    HE2  PHE   4           2HE      PHE   4  -3.048  -0.831   5.043
   28    HZ   PHE   4           HZ       PHE   4  -5.304   0.150   5.351
   29    H    GLY   5           HN       GLY   5   0.711   2.999   1.565
   30   1HA   GLY   5          2HA       GLY   5   1.817   0.864  -0.210
   31   2HA   GLY   5          1HA       GLY   5   2.625   2.412   0.052
   32    H    ALA   6           HN       ALA   6   1.024   0.847   2.724
   33    HA   ALA   6           HA       ALA   6   3.517   0.677   4.152
   34   1HB   ALA   6          1HB       ALA   6   1.415   1.489   5.157
   35   2HB   ALA   6          2HB       ALA   6   2.046   0.091   6.031
   36   3HB   ALA   6          3HB       ALA   6   0.711  -0.107   4.895
   37    H    ILE   7           HN       ILE   7   1.226  -1.467   2.789
   38    HA   ILE   7           HA       ILE   7   2.623  -3.867   3.647
   39    HB   ILE   7           HB       ILE   7   0.589  -4.668   3.670
   40   1HG1  ILE   7          2HG1      ILE   7  -0.844  -4.550   1.603
   41   2HG1  ILE   7          1HG1      ILE   7   0.511  -3.696   0.847
   42   1HG2  ILE   7          1HG2      ILE   7  -0.464  -2.098   2.580
   43   2HG2  ILE   7          2HG2      ILE   7   0.156  -2.243   4.228
   44   3HG2  ILE   7          3HG2      ILE   7  -1.225  -3.208   3.717
   45   1HD1  ILE   7          1HD1      ILE   7   0.258  -6.529   1.430
   46   2HD1  ILE   7          2HD1      ILE   7   1.677  -5.845   2.223
   47   3HD1  ILE   7          3HD1      ILE   7   1.485  -5.695   0.476
   48    H    LEU   8           HN       LEU   8   2.447  -1.768   1.013
   49    HA   LEU   8           HA       LEU   8   3.454  -3.731  -0.931
   50   1HB   LEU   8          2HB       LEU   8   2.170  -2.443  -2.247
   51   2HB   LEU   8          1HB       LEU   8   1.884  -1.350  -0.901
   52    HG   LEU   8           HG       LEU   8   2.834  -0.132  -2.772
   53   1HD1  LEU   8          1HD1      LEU   8   3.964   1.107  -1.276
   54   2HD1  LEU   8          2HD1      LEU   8   5.246  -0.099  -1.167
   55   3HD1  LEU   8          3HD1      LEU   8   3.816  -0.231  -0.140
   56   1HD2  LEU   8          1HD2      LEU   8   5.489  -1.133  -2.870
   57   2HD2  LEU   8          2HD2      LEU   8   4.266  -1.217  -4.138
   58   3HD2  LEU   8          3HD2      LEU   8   4.425  -2.535  -2.978
   59    H    SER   9           HN       SER   9   4.666  -1.594   1.352
   60    HA   SER   9           HA       SER   9   7.216  -1.071  -0.042
   61   1HB   SER   9          2HB       SER   9   7.693   0.161   2.064
   62   2HB   SER   9          1HB       SER   9   6.136   0.623   1.382
   63    HG   SER   9           HG       SER   9   5.189  -0.184   3.076
   64    H    SER  10           HN       SER  10   5.921  -3.644   1.726
   65    HA   SER  10           HA       SER  10   8.545  -4.823   2.071
   66   1HB   SER  10          2HB       SER  10   6.963  -3.631   4.209
   67   2HB   SER  10          1HB       SER  10   7.353  -5.317   4.537
   68    HG   SER  10           HG       SER  10   8.920  -3.202   4.756
  Start of MODEL   30
    1   1H    SER   1          1HT       SER   1  -6.243  -6.136   3.519
    2   2H    SER   1          2HT       SER   1  -7.488  -6.836   4.440
    3   3H    SER   1          3HT       SER   1  -6.242  -5.974   5.208
    4    HA   SER   1           HA       SER   1  -8.300  -4.820   3.391
    5   1HB   SER   1          2HB       SER   1  -7.789  -4.688   6.380
    6   2HB   SER   1          1HB       SER   1  -9.038  -3.780   5.533
    7    HG   SER   1           HG       SER   1 -10.088  -5.568   6.117
    8    H    ASN   2           HN       ASN   2  -5.686  -4.376   2.646
    9    HA   ASN   2           HA       ASN   2  -4.790  -1.929   3.948
   10   1HB   ASN   2          2HB       ASN   2  -2.738  -2.339   2.610
   11   2HB   ASN   2          1HB       ASN   2  -3.185  -3.737   3.588
   12   1HD2  ASN   2          1HD2      ASN   2  -2.651  -2.633   0.345
   13   2HD2  ASN   2          2HD2      ASN   2  -3.125  -4.059  -0.445
   14    H    ASN   3           HN       ASN   3  -3.819  -0.281   2.242
   15    HA   ASN   3           HA       ASN   3  -4.917  -0.089  -0.362
   16   1HB   ASN   3          2HB       ASN   3  -6.889   0.191   1.413
   17   2HB   ASN   3          1HB       ASN   3  -6.260   1.836   1.504
   18   1HD2  ASN   3          1HD2      ASN   3  -5.346   1.483  -1.441
   19   2HD2  ASN   3          2HD2      ASN   3  -6.764   1.747  -2.327
   20    H    PHE   4           HN       PHE   4  -2.443   0.425   1.158
   21    HA   PHE   4           HA       PHE   4  -1.956   3.217   0.313
   22   1HB   PHE   4          2HB       PHE   4  -0.612   2.553   2.780
   23   2HB   PHE   4          1HB       PHE   4  -1.771   3.843   2.484
   24    HD1  PHE   4           1HD      PHE   4  -1.279   0.438   3.744
   25    HD2  PHE   4           2HD      PHE   4  -4.185   3.483   2.881
   26    HE1  PHE   4           1HE      PHE   4  -2.962  -0.785   5.092
   27    HE2  PHE   4           2HE      PHE   4  -5.868   2.258   4.229
   28    HZ   PHE   4           HZ       PHE   4  -5.256   0.124   5.335
   29    H    GLY   5           HN       GLY   5   0.723   3.018   1.577
   30   1HA   GLY   5          2HA       GLY   5   1.885   0.917  -0.201
   31   2HA   GLY   5          1HA       GLY   5   2.671   2.467   0.102
   32    H    ALA   6           HN       ALA   6   1.045   0.884   2.740
   33    HA   ALA   6           HA       ALA   6   3.528   0.678   4.180
   34   1HB   ALA   6          1HB       ALA   6   1.655   1.498   5.382
   35   2HB   ALA   6          2HB       ALA   6   1.893  -0.145   5.977
   36   3HB   ALA   6          3HB       ALA   6   0.636   0.189   4.785
   37    H    ILE   7           HN       ILE   7   1.203  -1.434   2.820
   38    HA   ILE   7           HA       ILE   7   2.594  -3.852   3.640
   39    HB   ILE   7           HB       ILE   7   0.557  -4.631   3.716
   40   1HG1  ILE   7          2HG1      ILE   7  -0.931  -4.489   1.685
   41   2HG1  ILE   7          1HG1      ILE   7   0.421  -3.662   0.896
   42   1HG2  ILE   7          1HG2      ILE   7   0.151  -2.216   4.298
   43   2HG2  ILE   7          2HG2      ILE   7  -1.249  -3.160   3.797
   44   3HG2  ILE   7          3HG2      ILE   7  -0.490  -2.044   2.663
   45   1HD1  ILE   7          1HD1      ILE   7   1.589  -5.820   2.243
   46   2HD1  ILE   7          2HD1      ILE   7   1.338  -5.684   0.503
   47   3HD1  ILE   7          3HD1      ILE   7   0.133  -6.489   1.509
   48    H    LEU   8           HN       LEU   8   2.400  -1.736   1.022
   49    HA   LEU   8           HA       LEU   8   3.302  -3.709  -0.962
   50   1HB   LEU   8          2HB       LEU   8   2.023  -2.375  -2.234
   51   2HB   LEU   8          1HB       LEU   8   1.804  -1.285  -0.873
   52    HG   LEU   8           HG       LEU   8   2.741  -0.080  -2.759
   53   1HD1  LEU   8          1HD1      LEU   8   3.948   1.115  -1.287
   54   2HD1  LEU   8          2HD1      LEU   8   5.191  -0.132  -1.211
   55   3HD1  LEU   8          3HD1      LEU   8   3.782  -0.223  -0.153
   56   1HD2  LEU   8          1HD2      LEU   8   5.363  -1.156  -2.931
   57   2HD2  LEU   8          2HD2      LEU   8   4.108  -1.194  -4.169
   58   3HD2  LEU   8          3HD2      LEU   8   4.255  -2.526  -3.024
   59    H    SER   9           HN       SER   9   4.634  -1.607   1.293
   60    HA   SER   9           HA       SER   9   7.162  -1.164  -0.168
   61   1HB   SER   9          2HB       SER   9   5.786  -0.222   2.267
   62   2HB   SER   9          1HB       SER   9   7.532  -0.364   2.438
   63    HG   SER   9           HG       SER   9   7.653   0.850   0.432
   64    H    SER  10           HN       SER  10   6.699  -2.313   3.174
   65    HA   SER  10           HA       SER  10   8.069  -4.803   2.620
   66   1HB   SER  10          2HB       SER  10   9.733  -2.833   2.904
   67   2HB   SER  10          1HB       SER  10   9.289  -2.901   4.607
   68    HG   SER  10           HG       SER  10  10.795  -4.633   3.075
  Start of MODEL   31
    1   1H    SER   1          1HT       SER   1  -6.080  -5.892   0.073
    2   2H    SER   1          2HT       SER   1  -7.557  -5.790   0.906
    3   3H    SER   1          3HT       SER   1  -6.998  -7.293   0.345
    4    HA   SER   1           HA       SER   1  -6.598  -7.196   2.697
    5   1HB   SER   1          2HB       SER   1  -4.103  -6.706   1.042
    6   2HB   SER   1          1HB       SER   1  -4.180  -7.598   2.559
    7    HG   SER   1           HG       SER   1  -4.953  -8.324  -0.001
    8    H    ASN   2           HN       ASN   2  -4.989  -4.496   0.997
    9    HA   ASN   2           HA       ASN   2  -5.336  -2.859   3.386
   10   1HB   ASN   2          2HB       ASN   2  -2.771  -3.152   1.816
   11   2HB   ASN   2          1HB       ASN   2  -2.991  -2.154   3.255
   12   1HD2  ASN   2          1HD2      ASN   2  -2.929  -5.545   2.127
   13   2HD2  ASN   2          2HD2      ASN   2  -2.657  -6.222   3.660
   14    H    ASN   3           HN       ASN   3  -3.599  -0.744   1.949
   15    HA   ASN   3           HA       ASN   3  -4.702  -0.153  -0.596
   16   1HB   ASN   3          2HB       ASN   3  -6.583   0.036   1.509
   17   2HB   ASN   3          1HB       ASN   3  -6.175   1.696   1.083
   18   1HD2  ASN   3          1HD2      ASN   3  -6.685  -1.361  -0.792
   19   2HD2  ASN   3          2HD2      ASN   3  -7.718  -0.648  -1.936
   20    H    PHE   4           HN       PHE   4  -2.265   0.236   0.981
   21    HA   PHE   4           HA       PHE   4  -1.885   3.134   0.488
   22   1HB   PHE   4          2HB       PHE   4  -0.726   1.920   2.958
   23   2HB   PHE   4          1HB       PHE   4  -1.327   3.553   2.701
   24    HD1  PHE   4           1HD      PHE   4  -3.839   3.934   2.603
   25    HD2  PHE   4           2HD      PHE   4  -2.093   0.235   3.914
   26    HE1  PHE   4           1HE      PHE   4  -5.983   3.301   3.676
   27    HE2  PHE   4           2HE      PHE   4  -4.237  -0.397   4.988
   28    HZ   PHE   4           HZ       PHE   4  -6.182   1.137   4.868
   29    H    GLY   5           HN       GLY   5   0.743   3.055   1.645
   30   1HA   GLY   5          2HA       GLY   5   2.051   1.085  -0.179
   31   2HA   GLY   5          1HA       GLY   5   2.743   2.664   0.207
   32    H    ALA   6           HN       ALA   6   1.124   0.924   2.744
   33    HA   ALA   6           HA       ALA   6   3.624   0.728   4.185
   34   1HB   ALA   6          1HB       ALA   6   1.167   1.451   4.909
   35   2HB   ALA   6          2HB       ALA   6   2.279   0.710   6.062
   36   3HB   ALA   6          3HB       ALA   6   1.052  -0.273   5.261
   37    H    ILE   7           HN       ILE   7   1.196  -1.308   2.909
   38    HA   ILE   7           HA       ILE   7   2.560  -3.761   3.668
   39    HB   ILE   7           HB       ILE   7   0.503  -4.449   3.939
   40   1HG1  ILE   7          2HG1      ILE   7  -1.129  -4.311   2.027
   41   2HG1  ILE   7          1HG1      ILE   7   0.175  -3.540   1.115
   42   1HG2  ILE   7          1HG2      ILE   7   0.259  -1.980   4.454
   43   2HG2  ILE   7          2HG2      ILE   7  -1.213  -2.886   4.141
   44   3HG2  ILE   7          3HG2      ILE   7  -0.536  -1.856   2.884
   45   1HD1  ILE   7          1HD1      ILE   7  -0.143  -6.345   1.796
   46   2HD1  ILE   7          2HD1      ILE   7   1.384  -5.712   2.409
   47   3HD1  ILE   7          3HD1      ILE   7   1.006  -5.593   0.691
   48    H    LEU   8           HN       LEU   8   2.156  -1.692   1.027
   49    HA   LEU   8           HA       LEU   8   2.760  -3.696  -1.044
   50   1HB   LEU   8          2HB       LEU   8   1.889  -0.893  -0.819
   51   2HB   LEU   8          1HB       LEU   8   2.960  -1.207  -2.187
   52    HG   LEU   8           HG       LEU   8   1.513  -3.071  -2.897
   53   1HD1  LEU   8          1HD1      LEU   8   0.626  -3.816  -0.796
   54   2HD1  LEU   8          2HD1      LEU   8  -0.745  -3.239  -1.743
   55   3HD1  LEU   8          3HD1      LEU   8  -0.075  -2.232  -0.460
   56   1HD2  LEU   8          1HD2      LEU   8  -0.616  -1.589  -3.264
   57   2HD2  LEU   8          2HD2      LEU   8   0.912  -1.086  -3.987
   58   3HD2  LEU   8          3HD2      LEU   8   0.349  -0.326  -2.498
   59    H    SER   9           HN       SER   9   4.721  -2.652   1.249
   60    HA   SER   9           HA       SER   9   7.084  -2.550  -0.545
   61   1HB   SER   9          2HB       SER   9   7.701  -0.414   0.113
   62   2HB   SER   9          1HB       SER   9   5.949  -0.254   0.195
   63    HG   SER   9           HG       SER   9   7.426   0.331   2.103
   64    H    SER  10           HN       SER  10   5.850  -4.360   1.624
   65    HA   SER  10           HA       SER  10   8.339  -4.901   3.001
   66   1HB   SER  10          2HB       SER  10   6.028  -3.549   4.191
   67   2HB   SER  10          1HB       SER  10   6.573  -4.942   5.119
   68    HG   SER  10           HG       SER  10   8.720  -4.006   4.934
  Start of MODEL   32
    1   1H    SER   1          1HT       SER   1  -7.329  -5.317   1.820
    2   2H    SER   1          2HT       SER   1  -8.768  -4.550   2.297
    3   3H    SER   1          3HT       SER   1  -8.571  -6.219   2.542
    4    HA   SER   1           HA       SER   1  -8.281  -4.899   4.610
    5   1HB   SER   1          2HB       SER   1  -6.175  -6.139   5.152
    6   2HB   SER   1          1HB       SER   1  -7.341  -7.132   4.281
    7    HG   SER   1           HG       SER   1  -5.588  -7.439   3.095
    8    H    ASN   2           HN       ASN   2  -5.396  -4.614   2.495
    9    HA   ASN   2           HA       ASN   2  -4.722  -2.103   3.811
   10   1HB   ASN   2          2HB       ASN   2  -3.141  -3.694   1.794
   11   2HB   ASN   2          1HB       ASN   2  -2.519  -2.494   2.927
   12   1HD2  ASN   2          1HD2      ASN   2  -2.884  -5.822   2.494
   13   2HD2  ASN   2          2HD2      ASN   2  -2.752  -6.309   4.115
   14    H    ASN   3           HN       ASN   3  -3.658  -0.444   2.144
   15    HA   ASN   3           HA       ASN   3  -4.486  -0.376  -0.566
   16   1HB   ASN   3          2HB       ASN   3  -6.746  -0.328   0.153
   17   2HB   ASN   3          1HB       ASN   3  -6.369   0.684   1.545
   18   1HD2  ASN   3          1HD2      ASN   3  -6.368   2.951   1.262
   19   2HD2  ASN   3          2HD2      ASN   3  -6.771   3.709  -0.200
   20    H    PHE   4           HN       PHE   4  -2.238   0.329   1.110
   21    HA   PHE   4           HA       PHE   4  -1.943   3.196   0.402
   22   1HB   PHE   4          2HB       PHE   4  -0.637   2.404   2.889
   23   2HB   PHE   4          1HB       PHE   4  -1.754   3.736   2.606
   24    HD1  PHE   4           1HD      PHE   4  -1.353   0.352   3.874
   25    HD2  PHE   4           2HD      PHE   4  -4.238   3.310   2.694
   26    HE1  PHE   4           1HE      PHE   4  -3.129  -0.900   5.070
   27    HE2  PHE   4           2HE      PHE   4  -6.013   2.056   3.888
   28    HZ   PHE   4           HZ       PHE   4  -5.458  -0.048   5.078
   29    H    GLY   5           HN       GLY   5   0.712   3.120   1.739
   30   1HA   GLY   5          2HA       GLY   5   2.058   1.240  -0.144
   31   2HA   GLY   5          1HA       GLY   5   2.734   2.806   0.303
   32    H    ALA   6           HN       ALA   6   1.139   0.958   2.773
   33    HA   ALA   6           HA       ALA   6   3.624   0.733   4.218
   34   1HB   ALA   6          1HB       ALA   6   0.924  -0.234   5.063
   35   2HB   ALA   6          2HB       ALA   6   1.337   1.480   5.088
   36   3HB   ALA   6          3HB       ALA   6   2.233   0.342   6.095
   37    H    ILE   7           HN       ILE   7   1.177  -1.389   3.065
   38    HA   ILE   7           HA       ILE   7   2.715  -3.781   3.660
   39    HB   ILE   7           HB       ILE   7   0.737  -4.584   4.080
   40   1HG1  ILE   7          2HG1      ILE   7  -1.080  -4.471   2.334
   41   2HG1  ILE   7          1HG1      ILE   7   0.113  -3.651   1.315
   42   1HG2  ILE   7          1HG2      ILE   7   0.406  -2.164   4.701
   43   2HG2  ILE   7          2HG2      ILE   7  -1.045  -3.132   4.462
   44   3HG2  ILE   7          3HG2      ILE   7  -0.513  -2.021   3.201
   45   1HD1  ILE   7          1HD1      ILE   7  -0.057  -6.466   1.983
   46   2HD1  ILE   7          2HD1      ILE   7   1.489  -5.796   2.497
   47   3HD1  ILE   7          3HD1      ILE   7   0.988  -5.665   0.811
   48    H    LEU   8           HN       LEU   8   2.142  -1.729   1.036
   49    HA   LEU   8           HA       LEU   8   2.692  -3.801  -0.972
   50   1HB   LEU   8          2HB       LEU   8   1.252  -2.493  -2.093
   51   2HB   LEU   8          1HB       LEU   8   1.278  -1.330  -0.776
   52    HG   LEU   8           HG       LEU   8   1.936  -0.259  -2.855
   53   1HD1  LEU   8          1HD1      LEU   8   4.585  -0.297  -1.675
   54   2HD1  LEU   8          2HD1      LEU   8   3.340  -0.287  -0.425
   55   3HD1  LEU   8          3HD1      LEU   8   3.371   0.981  -1.648
   56   1HD2  LEU   8          1HD2      LEU   8   3.336  -2.755  -3.209
   57   2HD2  LEU   8          2HD2      LEU   8   4.489  -1.426  -3.333
   58   3HD2  LEU   8          3HD2      LEU   8   3.076  -1.467  -4.385
   59    H    SER   9           HN       SER   9   4.369  -1.577   0.919
   60    HA   SER   9           HA       SER   9   6.684  -1.377  -0.917
   61   1HB   SER   9          2HB       SER   9   5.811   0.516   0.494
   62   2HB   SER   9          1HB       SER   9   6.291  -0.391   1.926
   63    HG   SER   9           HG       SER   9   7.827   1.215   0.958
   64    H    SER  10           HN       SER  10   6.036  -4.051   0.002
   65    HA   SER  10           HA       SER  10   8.567  -4.739   1.231
   66   1HB   SER  10          2HB       SER  10   6.402  -4.271   2.838
   67   2HB   SER  10          1HB       SER  10   6.267  -6.006   2.566
   68    HG   SER  10           HG       SER  10   7.609  -5.421   4.374
  Start of MODEL   33
    1   1H    SER   1          1HT       SER   1  -7.401  -7.029   0.802
    2   2H    SER   1          2HT       SER   1  -6.115  -6.055   0.267
    3   3H    SER   1          3HT       SER   1  -7.444  -5.352   1.060
    4    HA   SER   1           HA       SER   1  -6.831  -6.761   3.060
    5   1HB   SER   1          2HB       SER   1  -4.595  -7.704   2.988
    6   2HB   SER   1          1HB       SER   1  -5.462  -8.257   1.559
    7    HG   SER   1           HG       SER   1  -4.022  -7.276   0.403
    8    H    ASN   2           HN       ASN   2  -5.403  -4.336   0.970
    9    HA   ASN   2           HA       ASN   2  -4.869  -2.679   3.313
   10   1HB   ASN   2          2HB       ASN   2  -2.670  -2.072   2.344
   11   2HB   ASN   2          1HB       ASN   2  -2.781  -3.804   2.656
   12   1HD2  ASN   2          1HD2      ASN   2  -2.358  -1.409   0.169
   13   2HD2  ASN   2          2HD2      ASN   2  -2.315  -2.482  -1.145
   14    H    ASN   3           HN       ASN   3  -3.739  -0.520   1.890
   15    HA   ASN   3           HA       ASN   3  -5.165   0.239  -0.449
   16   1HB   ASN   3          2HB       ASN   3  -6.485   0.537   2.164
   17   2HB   ASN   3          1HB       ASN   3  -6.446   2.032   1.231
   18   1HD2  ASN   3          1HD2      ASN   3  -6.561   0.791  -1.404
   19   2HD2  ASN   3          2HD2      ASN   3  -8.105   0.114  -1.578
   20    H    PHE   4           HN       PHE   4  -2.540   0.436   0.975
   21    HA   PHE   4           HA       PHE   4  -2.035   3.316   0.522
   22   1HB   PHE   4          2HB       PHE   4  -0.726   2.118   2.875
   23   2HB   PHE   4          1HB       PHE   4  -1.535   3.672   2.726
   24    HD1  PHE   4           1HD      PHE   4  -1.884   0.151   3.645
   25    HD2  PHE   4           2HD      PHE   4  -3.995   3.844   3.039
   26    HE1  PHE   4           1HE      PHE   4  -3.846  -0.772   4.849
   27    HE2  PHE   4           2HE      PHE   4  -5.956   2.920   4.245
   28    HZ   PHE   4           HZ       PHE   4  -5.881   0.611   5.148
   29    H    GLY   5           HN       GLY   5   0.657   2.882   1.729
   30   1HA   GLY   5          2HA       GLY   5   1.794   0.951  -0.250
   31   2HA   GLY   5          1HA       GLY   5   2.556   2.513   0.073
   32    H    ALA   6           HN       ALA   6   1.049   0.854   2.731
   33    HA   ALA   6           HA       ALA   6   3.613   0.634   4.041
   34   1HB   ALA   6          1HB       ALA   6   1.921  -0.251   5.868
   35   2HB   ALA   6          2HB       ALA   6   0.740   0.442   4.756
   36   3HB   ALA   6          3HB       ALA   6   1.990   1.464   5.465
   37    H    ILE   7           HN       ILE   7   1.224  -1.431   2.744
   38    HA   ILE   7           HA       ILE   7   2.514  -3.883   3.637
   39    HB   ILE   7           HB       ILE   7   0.450  -4.589   3.650
   40   1HG1  ILE   7          2HG1      ILE   7  -0.958  -4.418   1.561
   41   2HG1  ILE   7          1HG1      ILE   7   0.466  -3.683   0.809
   42   1HG2  ILE   7          1HG2      ILE   7   0.114  -2.139   4.164
   43   2HG2  ILE   7          2HG2      ILE   7  -1.299  -3.058   3.659
   44   3HG2  ILE   7          3HG2      ILE   7  -0.487  -1.996   2.510
   45   1HD1  ILE   7          1HD1      ILE   7   1.267  -5.773   0.499
   46   2HD1  ILE   7          2HD1      ILE   7   0.009  -6.474   1.519
   47   3HD1  ILE   7          3HD1      ILE   7   1.486  -5.843   2.247
   48    H    LEU   8           HN       LEU   8   2.681  -1.756   1.059
   49    HA   LEU   8           HA       LEU   8   3.346  -3.761  -0.998
   50   1HB   LEU   8          2HB       LEU   8   2.795  -0.875  -0.770
   51   2HB   LEU   8          1HB       LEU   8   3.999  -1.290  -1.992
   52    HG   LEU   8           HG       LEU   8   2.448  -2.938  -2.970
   53   1HD1  LEU   8          1HD1      LEU   8   1.049  -3.739  -1.314
   54   2HD1  LEU   8          2HD1      LEU   8  -0.024  -2.543  -2.042
   55   3HD1  LEU   8          3HD1      LEU   8   0.856  -2.156  -0.564
   56   1HD2  LEU   8          1HD2      LEU   8   2.439  -0.473  -3.622
   57   2HD2  LEU   8          2HD2      LEU   8   1.013  -0.299  -2.598
   58   3HD2  LEU   8          3HD2      LEU   8   0.966  -1.365  -4.003
   59    H    SER   9           HN       SER   9   5.082  -4.028   1.191
   60    HA   SER   9           HA       SER   9   7.677  -3.307  -0.058
   61   1HB   SER   9          2HB       SER   9   6.798  -2.517   2.738
   62   2HB   SER   9          1HB       SER   9   8.434  -2.329   2.114
   63    HG   SER   9           HG       SER   9   6.479  -0.636   1.890
   64    H    SER  10           HN       SER  10   6.085  -4.825   2.764
   65    HA   SER  10           HA       SER  10   7.622  -7.244   2.341
   66   1HB   SER  10          2HB       SER  10   7.849  -5.543   4.829
   67   2HB   SER  10          1HB       SER  10   8.524  -7.163   4.673
   68    HG   SER  10           HG       SER  10   9.806  -5.087   4.116
  Start of MODEL   34
    1   1H    SER   1          1HT       SER   1   0.151   3.894   3.750
    2   2H    SER   1          2HT       SER   1   0.945   5.337   4.166
    3   3H    SER   1          3HT       SER   1  -0.749   5.304   4.037
    4    HA   SER   1           HA       SER   1   0.760   3.698   6.033
    5   1HB   SER   1          2HB       SER   1   1.211   6.054   6.377
    6   2HB   SER   1          1HB       SER   1  -0.483   6.465   6.125
    7    HG   SER   1           HG       SER   1   0.703   5.033   8.263
    8    H    ASN   2           HN       ASN   2  -1.662   3.241   4.204
    9    HA   ASN   2           HA       ASN   2  -3.517   2.489   6.327
   10   1HB   ASN   2          2HB       ASN   2  -3.853   4.510   4.258
   11   2HB   ASN   2          1HB       ASN   2  -5.129   3.295   4.198
   12   1HD2  ASN   2          1HD2      ASN   2  -6.530   3.073   6.103
   13   2HD2  ASN   2          2HD2      ASN   2  -6.589   4.283   7.292
   14    H    ASN   3           HN       ASN   3  -3.830   2.413   2.811
   15    HA   ASN   3           HA       ASN   3  -3.504  -0.485   2.814
   16   1HB   ASN   3          2HB       ASN   3  -5.946   0.801   2.830
   17   2HB   ASN   3          1HB       ASN   3  -5.670   0.513   1.111
   18   1HD2  ASN   3          1HD2      ASN   3  -6.000  -1.112   4.259
   19   2HD2  ASN   3          2HD2      ASN   3  -6.294  -2.656   3.619
   20    H    PHE   4           HN       PHE   4  -1.582   1.313   1.937
   21    HA   PHE   4           HA       PHE   4  -1.516   0.767  -0.967
   22   1HB   PHE   4          2HB       PHE   4  -1.156   3.525   0.198
   23   2HB   PHE   4          1HB       PHE   4  -1.184   3.098  -1.513
   24    HD1  PHE   4           1HD      PHE   4  -3.297   2.217  -2.533
   25    HD2  PHE   4           2HD      PHE   4  -3.168   3.815   1.450
   26    HE1  PHE   4           1HE      PHE   4  -5.766   2.471  -2.559
   27    HE2  PHE   4           2HE      PHE   4  -5.638   4.074   1.425
   28    HZ   PHE   4           HZ       PHE   4  -6.935   3.399  -0.578
   29    H    GLY   5           HN       GLY   5   0.410   3.093   0.659
   30   1HA   GLY   5          2HA       GLY   5   2.894   1.837  -0.062
   31   2HA   GLY   5          1HA       GLY   5   2.729   3.193   1.059
   32    H    ALA   6           HN       ALA   6   0.678   1.352   2.496
   33    HA   ALA   6           HA       ALA   6   2.543   0.261   4.392
   34   1HB   ALA   6          1HB       ALA   6   0.393   1.480   4.865
   35   2HB   ALA   6          2HB       ALA   6   0.547  -0.068   5.698
   36   3HB   ALA   6          3HB       ALA   6  -0.447   0.059   4.247
   37    H    ILE   7           HN       ILE   7   0.500  -0.854   1.908
   38    HA   ILE   7           HA       ILE   7   0.693  -3.666   2.572
   39    HB   ILE   7           HB       ILE   7  -1.203  -3.717   1.480
   40   1HG1  ILE   7          2HG1      ILE   7  -1.298  -2.859  -0.897
   41   2HG1  ILE   7          1HG1      ILE   7   0.426  -2.502  -0.706
   42   1HG2  ILE   7          1HG2      ILE   7  -2.354  -1.717   1.031
   43   2HG2  ILE   7          2HG2      ILE   7  -0.854  -0.832   0.779
   44   3HG2  ILE   7          3HG2      ILE   7  -1.295  -1.379   2.399
   45   1HD1  ILE   7          1HD1      ILE   7   0.835  -4.678  -1.151
   46   2HD1  ILE   7          2HD1      ILE   7  -0.877  -5.090  -1.037
   47   3HD1  ILE   7          3HD1      ILE   7   0.117  -5.037   0.419
   48    H    LEU   8           HN       LEU   8   2.480  -1.376   0.879
   49    HA   LEU   8           HA       LEU   8   3.744  -3.352  -0.913
   50   1HB   LEU   8          2HB       LEU   8   3.690  -1.548  -2.246
   51   2HB   LEU   8          1HB       LEU   8   3.095  -0.570  -0.913
   52    HG   LEU   8           HG       LEU   8   5.143   0.385  -1.793
   53   1HD1  LEU   8          1HD1      LEU   8   5.597   0.962   0.326
   54   2HD1  LEU   8          2HD1      LEU   8   6.371  -0.595   0.608
   55   3HD1  LEU   8          3HD1      LEU   8   4.640  -0.408   0.879
   56   1HD2  LEU   8          1HD2      LEU   8   6.700  -1.014  -2.642
   57   2HD2  LEU   8          2HD2      LEU   8   5.886  -2.405  -1.929
   58   3HD2  LEU   8          3HD2      LEU   8   7.096  -1.518  -0.999
   59    H    SER   9           HN       SER   9   4.136  -2.134   2.179
   60    HA   SER   9           HA       SER   9   6.791  -3.431   2.406
   61   1HB   SER   9          2HB       SER   9   7.597  -1.285   1.974
   62   2HB   SER   9          1HB       SER   9   6.186  -0.505   2.683
   63    HG   SER   9           HG       SER   9   7.359  -0.345   4.410
   64    H    SER  10           HN       SER  10   4.974  -1.151   4.473
   65    HA   SER  10           HA       SER  10   4.174  -3.283   6.265
   66   1HB   SER  10          2HB       SER  10   6.572  -2.651   6.771
   67   2HB   SER  10          1HB       SER  10   5.980  -1.048   7.197
   68    HG   SER  10           HG       SER  10   6.131  -3.092   8.769
  Start of MODEL   35
    1   1H    SER   1          1HT       SER   1  -0.549   4.823   3.513
    2   2H    SER   1          2HT       SER   1   0.221   6.217   4.107
    3   3H    SER   1          3HT       SER   1  -1.470   6.070   4.204
    4    HA   SER   1           HA       SER   1   0.412   4.244   5.607
    5   1HB   SER   1          2HB       SER   1   0.093   5.682   7.525
    6   2HB   SER   1          1HB       SER   1   0.583   6.708   6.179
    7    HG   SER   1           HG       SER   1  -1.180   7.742   6.736
    8    H    ASN   2           HN       ASN   2  -1.980   3.558   4.088
    9    HA   ASN   2           HA       ASN   2  -3.656   2.593   6.276
   10   1HB   ASN   2          2HB       ASN   2  -4.301   4.485   4.145
   11   2HB   ASN   2          1HB       ASN   2  -5.432   3.133   4.216
   12   1HD2  ASN   2          1HD2      ASN   2  -6.780   2.926   6.121
   13   2HD2  ASN   2          2HD2      ASN   2  -6.881   4.152   7.290
   14    H    ASN   3           HN       ASN   3  -4.147   2.384   2.792
   15    HA   ASN   3           HA       ASN   3  -3.458  -0.455   2.854
   16   1HB   ASN   3          2HB       ASN   3  -5.867  -0.245   3.062
   17   2HB   ASN   3          1HB       ASN   3  -5.910   0.909   1.730
   18   1HD2  ASN   3          1HD2      ASN   3  -6.243   0.051  -0.329
   19   2HD2  ASN   3          2HD2      ASN   3  -6.118  -1.595  -0.722
   20    H    PHE   4           HN       PHE   4  -1.603   1.289   1.982
   21    HA   PHE   4           HA       PHE   4  -1.561   0.883  -0.948
   22   1HB   PHE   4          2HB       PHE   4  -1.246   3.560   0.411
   23   2HB   PHE   4          1HB       PHE   4  -1.147   3.266  -1.327
   24    HD1  PHE   4           1HD      PHE   4  -3.333   3.835   1.497
   25    HD2  PHE   4           2HD      PHE   4  -3.179   2.317  -2.517
   26    HE1  PHE   4           1HE      PHE   4  -5.801   4.036   1.326
   27    HE2  PHE   4           2HE      PHE   4  -5.646   2.521  -2.691
   28    HZ   PHE   4           HZ       PHE   4  -6.957   3.378  -0.768
   29    H    GLY   5           HN       GLY   5   0.455   3.144   0.639
   30   1HA   GLY   5          2HA       GLY   5   2.883   1.819  -0.118
   31   2HA   GLY   5          1HA       GLY   5   2.780   3.159   1.028
   32    H    ALA   6           HN       ALA   6   0.706   1.413   2.498
   33    HA   ALA   6           HA       ALA   6   2.534   0.235   4.365
   34   1HB   ALA   6          1HB       ALA   6   0.643   0.166   5.723
   35   2HB   ALA   6          2HB       ALA   6  -0.418  -0.145   4.348
   36   3HB   ALA   6          3HB       ALA   6   0.239   1.471   4.608
   37    H    ILE   7           HN       ILE   7   0.495  -0.842   1.857
   38    HA   ILE   7           HA       ILE   7   0.637  -3.659   2.514
   39    HB   ILE   7           HB       ILE   7  -1.216  -3.697   1.351
   40   1HG1  ILE   7          2HG1      ILE   7  -1.246  -2.805  -1.010
   41   2HG1  ILE   7          1HG1      ILE   7   0.469  -2.443  -0.764
   42   1HG2  ILE   7          1HG2      ILE   7  -0.880  -0.811   0.681
   43   2HG2  ILE   7          2HG2      ILE   7  -1.295  -1.355   2.306
   44   3HG2  ILE   7          3HG2      ILE   7  -2.368  -1.706   0.952
   45   1HD1  ILE   7          1HD1      ILE   7  -0.794  -5.024  -1.195
   46   2HD1  ILE   7          2HD1      ILE   7   0.119  -5.000   0.313
   47   3HD1  ILE   7          3HD1      ILE   7   0.918  -4.607  -1.210
   48    H    LEU   8           HN       LEU   8   2.503  -1.398   0.879
   49    HA   LEU   8           HA       LEU   8   3.786  -3.313  -0.963
   50   1HB   LEU   8          2HB       LEU   8   3.674  -0.405  -0.467
   51   2HB   LEU   8          1HB       LEU   8   5.245  -0.994  -1.017
   52    HG   LEU   8           HG       LEU   8   4.196  -2.083  -2.941
   53   1HD1  LEU   8          1HD1      LEU   8   1.673  -1.108  -1.600
   54   2HD1  LEU   8          2HD1      LEU   8   2.070  -2.743  -2.125
   55   3HD1  LEU   8          3HD1      LEU   8   1.713  -1.495  -3.319
   56   1HD2  LEU   8          1HD2      LEU   8   4.847   0.142  -3.420
   57   2HD2  LEU   8          2HD2      LEU   8   3.541   0.822  -2.450
   58   3HD2  LEU   8          3HD2      LEU   8   3.182   0.048  -3.994
   59    H    SER   9           HN       SER   9   4.008  -3.932   1.884
   60    HA   SER   9           HA       SER   9   6.718  -3.122   2.716
   61   1HB   SER   9          2HB       SER   9   6.108  -4.259   4.750
   62   2HB   SER   9          1HB       SER   9   4.664  -3.415   4.197
   63    HG   SER   9           HG       SER   9   5.247  -6.132   4.286
   64    H    SER  10           HN       SER  10   5.700  -5.247   0.455
   65    HA   SER  10           HA       SER  10   8.055  -6.910   0.748
   66   1HB   SER  10          2HB       SER  10   6.934  -8.870   1.202
   67   2HB   SER  10          1HB       SER  10   5.783  -7.745   1.914
   68    HG   SER  10           HG       SER  10   4.794  -7.715  -0.236
  Start of MODEL   36
    1   1H    SER   1          1HT       SER   1   0.498   6.660   5.548
    2   2H    SER   1          2HT       SER   1  -0.679   7.789   5.071
    3   3H    SER   1          3HT       SER   1   0.758   7.627   4.179
    4    HA   SER   1           HA       SER   1  -1.091   6.540   3.033
    5   1HB   SER   1          2HB       SER   1   1.178   4.945   4.238
    6   2HB   SER   1          1HB       SER   1   0.133   4.274   2.990
    7    HG   SER   1           HG       SER   1   0.713   6.076   1.684
    8    H    ASN   2           HN       ASN   2  -2.215   4.253   3.122
    9    HA   ASN   2           HA       ASN   2  -3.107   3.581   5.820
   10   1HB   ASN   2          2HB       ASN   2  -4.552   5.284   4.446
   11   2HB   ASN   2          1HB       ASN   2  -5.070   3.844   3.569
   12   1HD2  ASN   2          1HD2      ASN   2  -5.611   1.918   5.264
   13   2HD2  ASN   2          2HD2      ASN   2  -6.606   2.391   6.556
   14    H    ASN   3           HN       ASN   3  -4.121   2.644   2.556
   15    HA   ASN   3           HA       ASN   3  -3.216  -0.083   3.091
   16   1HB   ASN   3          2HB       ASN   3  -5.860   0.954   2.767
   17   2HB   ASN   3          1HB       ASN   3  -5.502  -0.080   1.385
   18   1HD2  ASN   3          1HD2      ASN   3  -7.047  -0.347   4.188
   19   2HD2  ASN   3          2HD2      ASN   3  -6.592  -1.907   4.678
   20    H    PHE   4           HN       PHE   4  -1.573   1.632   1.755
   21    HA   PHE   4           HA       PHE   4  -1.678   0.629  -1.025
   22   1HB   PHE   4          2HB       PHE   4  -1.139   3.511  -0.395
   23   2HB   PHE   4          1HB       PHE   4  -1.581   2.807  -1.949
   24    HD1  PHE   4           1HD      PHE   4  -3.911   1.736  -2.159
   25    HD2  PHE   4           2HD      PHE   4  -2.792   4.339   1.068
   26    HE1  PHE   4           1HE      PHE   4  -6.306   2.170  -1.681
   27    HE2  PHE   4           2HE      PHE   4  -5.189   4.776   1.546
   28    HZ   PHE   4           HZ       PHE   4  -6.946   3.690   0.172
   29    H    GLY   5           HN       GLY   5   0.090   2.799   0.993
   30   1HA   GLY   5          2HA       GLY   5   2.684   1.892  -0.061
   31   2HA   GLY   5          1HA       GLY   5   2.451   3.166   1.142
   32    H    ALA   6           HN       ALA   6   0.615   1.325   2.662
   33    HA   ALA   6           HA       ALA   6   2.584   0.141   4.381
   34   1HB   ALA   6          1HB       ALA   6   0.243   1.268   4.779
   35   2HB   ALA   6          2HB       ALA   6   0.778  -0.041   5.836
   36   3HB   ALA   6          3HB       ALA   6  -0.343  -0.373   4.514
   37    H    ILE   7           HN       ILE   7   0.518  -0.881   1.898
   38    HA   ILE   7           HA       ILE   7   0.673  -3.717   2.439
   39    HB   ILE   7           HB       ILE   7  -1.192  -3.686   1.291
   40   1HG1  ILE   7          2HG1      ILE   7  -1.169  -2.754  -1.064
   41   2HG1  ILE   7          1HG1      ILE   7   0.559  -2.483  -0.797
   42   1HG2  ILE   7          1HG2      ILE   7  -2.260  -1.632   0.810
   43   2HG2  ILE   7          2HG2      ILE   7  -0.719  -0.785   0.696
   44   3HG2  ILE   7          3HG2      ILE   7  -1.290  -1.380   2.258
   45   1HD1  ILE   7          1HD1      ILE   7   0.863  -4.663  -1.325
   46   2HD1  ILE   7          2HD1      ILE   7  -0.862  -5.010  -1.200
   47   3HD1  ILE   7          3HD1      ILE   7   0.146  -5.016   0.248
   48    H    LEU   8           HN       LEU   8   2.618  -1.413   0.984
   49    HA   LEU   8           HA       LEU   8   3.854  -3.189  -0.991
   50   1HB   LEU   8          2HB       LEU   8   3.901  -0.352  -0.211
   51   2HB   LEU   8          1HB       LEU   8   5.425  -0.978  -0.841
   52    HG   LEU   8           HG       LEU   8   4.370  -1.692  -2.891
   53   1HD1  LEU   8          1HD1      LEU   8   1.788  -0.848  -2.968
   54   2HD1  LEU   8          2HD1      LEU   8   1.915  -1.312  -1.273
   55   3HD1  LEU   8          3HD1      LEU   8   2.255  -2.493  -2.535
   56   1HD2  LEU   8          1HD2      LEU   8   3.520   0.474  -3.743
   57   2HD2  LEU   8          2HD2      LEU   8   4.967   0.694  -2.760
   58   3HD2  LEU   8          3HD2      LEU   8   3.379   1.062  -2.086
   59    H    SER   9           HN       SER   9   4.802  -1.511   1.863
   60    HA   SER   9           HA       SER   9   6.605  -3.693   2.701
   61   1HB   SER   9          2HB       SER   9   7.984  -2.395   1.171
   62   2HB   SER   9          1HB       SER   9   7.526  -0.895   1.972
   63    HG   SER   9           HG       SER   9   9.359  -2.824   2.693
   64    H    SER  10           HN       SER  10   6.711  -0.257   3.614
   65    HA   SER  10           HA       SER  10   5.168  -0.715   6.019
   66   1HB   SER  10          2HB       SER  10   7.208  -1.566   6.834
   67   2HB   SER  10          1HB       SER  10   8.152  -0.386   5.929
   68    HG   SER  10           HG       SER  10   6.912  -0.187   8.386
  Start of MODEL   37
    1   1H    SER   1          1HT       SER   1  -4.208   7.079   7.044
    2   2H    SER   1          2HT       SER   1  -3.038   7.449   5.869
    3   3H    SER   1          3HT       SER   1  -2.581   7.246   7.492
    4    HA   SER   1           HA       SER   1  -2.094   5.304   5.954
    5   1HB   SER   1          2HB       SER   1  -3.892   4.710   8.306
    6   2HB   SER   1          1HB       SER   1  -2.425   3.869   7.813
    7    HG   SER   1           HG       SER   1  -2.634   5.805   9.555
    8    H    ASN   2           HN       ASN   2  -3.208   4.843   4.028
    9    HA   ASN   2           HA       ASN   2  -6.067   4.297   4.143
   10   1HB   ASN   2          2HB       ASN   2  -4.079   4.778   1.929
   11   2HB   ASN   2          1HB       ASN   2  -5.761   4.347   1.616
   12   1HD2  ASN   2          1HD2      ASN   2  -3.661   6.983   2.256
   13   2HD2  ASN   2          2HD2      ASN   2  -4.851   8.155   2.559
   14    H    ASN   3           HN       ASN   3  -3.675   2.836   1.977
   15    HA   ASN   3           HA       ASN   3  -3.411   0.271   3.106
   16   1HB   ASN   3          2HB       ASN   3  -6.062   0.863   2.151
   17   2HB   ASN   3          1HB       ASN   3  -5.365  -0.391   1.127
   18   1HD2  ASN   3          1HD2      ASN   3  -4.606   0.093   4.594
   19   2HD2  ASN   3          2HD2      ASN   3  -5.252  -1.392   5.102
   20    H    PHE   4           HN       PHE   4  -2.027   2.169   1.354
   21    HA   PHE   4           HA       PHE   4  -1.304   0.281  -0.830
   22   1HB   PHE   4          2HB       PHE   4  -1.974   3.201  -1.287
   23   2HB   PHE   4          1HB       PHE   4  -1.620   1.989  -2.518
   24    HD1  PHE   4           1HD      PHE   4  -3.195   0.037  -2.828
   25    HD2  PHE   4           2HD      PHE   4  -4.147   3.410  -0.346
   26    HE1  PHE   4           1HE      PHE   4  -5.594  -0.592  -2.891
   27    HE2  PHE   4           2HE      PHE   4  -6.546   2.783  -0.410
   28    HZ   PHE   4           HZ       PHE   4  -7.270   0.780  -1.681
   29    H    GLY   5           HN       GLY   5  -0.272   2.210   1.645
   30   1HA   GLY   5          2HA       GLY   5   2.380   2.676   0.352
   31   2HA   GLY   5          1HA       GLY   5   1.712   3.773   1.566
   32    H    ALA   6           HN       ALA   6   0.826   0.631   2.250
   33    HA   ALA   6           HA       ALA   6   3.061   0.156   4.058
   34   1HB   ALA   6          1HB       ALA   6   1.113  -0.558   5.580
   35   2HB   ALA   6          2HB       ALA   6   0.107   0.293   4.407
   36   3HB   ALA   6          3HB       ALA   6   1.343   1.169   5.309
   37    H    ILE   7           HN       ILE   7   0.671  -1.009   1.976
   38    HA   ILE   7           HA       ILE   7   0.861  -3.812   2.660
   39    HB   ILE   7           HB       ILE   7  -1.121  -3.810   1.757
   40   1HG1  ILE   7          2HG1      ILE   7  -1.390  -2.985  -0.634
   41   2HG1  ILE   7          1HG1      ILE   7   0.368  -2.799  -0.607
   42   1HG2  ILE   7          1HG2      ILE   7  -2.239  -1.799   1.362
   43   2HG2  ILE   7          2HG2      ILE   7  -0.760  -0.970   0.883
   44   3HG2  ILE   7          3HG2      ILE   7  -1.018  -1.422   2.571
   45   1HD1  ILE   7          1HD1      ILE   7   0.013  -5.232   0.634
   46   2HD1  ILE   7          2HD1      ILE   7   0.462  -5.022  -1.059
   47   3HD1  ILE   7          3HD1      ILE   7  -1.228  -5.264  -0.616
   48    H    LEU   8           HN       LEU   8   2.920  -1.763   1.064
   49    HA   LEU   8           HA       LEU   8   3.665  -3.536  -1.160
   50   1HB   LEU   8          2HB       LEU   8   5.058  -1.125   0.057
   51   2HB   LEU   8          1HB       LEU   8   5.402  -1.831  -1.518
   52    HG   LEU   8           HG       LEU   8   4.000  -0.158  -2.214
   53   1HD1  LEU   8          1HD1      LEU   8   1.771  -1.926  -1.226
   54   2HD1  LEU   8          2HD1      LEU   8   2.834  -2.438  -2.535
   55   3HD1  LEU   8          3HD1      LEU   8   1.848  -0.987  -2.714
   56   1HD2  LEU   8          1HD2      LEU   8   2.984   1.211  -0.746
   57   2HD2  LEU   8          2HD2      LEU   8   3.583   0.151   0.529
   58   3HD2  LEU   8          3HD2      LEU   8   1.964  -0.088  -0.129
   59    H    SER   9           HN       SER   9   4.079  -3.838   2.101
   60    HA   SER   9           HA       SER   9   6.494  -5.524   1.754
   61   1HB   SER   9          2HB       SER   9   6.775  -2.927   2.507
   62   2HB   SER   9          1HB       SER   9   6.525  -3.676   4.082
   63    HG   SER   9           HG       SER   9   8.393  -4.655   3.910
   64    H    SER  10           HN       SER  10   3.711  -6.157   2.320
   65    HA   SER  10           HA       SER  10   4.076  -7.630   4.788
   66   1HB   SER  10          2HB       SER  10   2.270  -5.292   4.419
   67   2HB   SER  10          1HB       SER  10   1.676  -6.628   5.399
   68    HG   SER  10           HG       SER  10   3.262  -4.722   6.167
  Start of MODEL   38
    1   1H    SER   1          1HT       SER   1  -1.892   8.116   3.290
    2   2H    SER   1          2HT       SER   1  -0.745   8.398   4.512
    3   3H    SER   1          3HT       SER   1  -2.404   8.551   4.847
    4    HA   SER   1           HA       SER   1  -0.997   6.019   4.156
    5   1HB   SER   1          2HB       SER   1  -2.321   6.879   6.735
    6   2HB   SER   1          1HB       SER   1  -1.190   5.552   6.487
    7    HG   SER   1           HG       SER   1   0.290   6.956   6.961
    8    H    ASN   2           HN       ASN   2  -2.643   5.443   2.588
    9    HA   ASN   2           HA       ASN   2  -5.408   5.362   3.503
   10   1HB   ASN   2          2HB       ASN   2  -4.078   4.892   0.832
   11   2HB   ASN   2          1HB       ASN   2  -5.823   4.844   1.089
   12   1HD2  ASN   2          1HD2      ASN   2  -6.882   6.813   0.802
   13   2HD2  ASN   2          2HD2      ASN   2  -6.137   8.337   0.865
   14    H    ASN   3           HN       ASN   3  -3.680   3.090   1.395
   15    HA   ASN   3           HA       ASN   3  -3.599   0.904   3.200
   16   1HB   ASN   3          2HB       ASN   3  -6.131   1.436   2.705
   17   2HB   ASN   3          1HB       ASN   3  -5.803   0.636   1.169
   18   1HD2  ASN   3          1HD2      ASN   3  -3.669  -0.995   2.864
   19   2HD2  ASN   3          2HD2      ASN   3  -4.623  -2.211   3.557
   20    H    PHE   4           HN       PHE   4  -1.997   2.158   1.072
   21    HA   PHE   4           HA       PHE   4  -1.522  -0.277  -0.580
   22   1HB   PHE   4          2HB       PHE   4  -1.809   2.526  -1.699
   23   2HB   PHE   4          1HB       PHE   4  -1.569   1.044  -2.623
   24    HD1  PHE   4           1HD      PHE   4  -3.956   3.109  -0.793
   25    HD2  PHE   4           2HD      PHE   4  -3.363  -0.682  -2.721
   26    HE1  PHE   4           1HE      PHE   4  -6.409   2.746  -0.827
   27    HE2  PHE   4           2HE      PHE   4  -5.817  -1.046  -2.758
   28    HZ   PHE   4           HZ       PHE   4  -7.340   0.667  -1.810
   29    H    GLY   5           HN       GLY   5  -0.245   2.022   1.423
   30   1HA   GLY   5          2HA       GLY   5   2.402   2.055   0.042
   31   2HA   GLY   5          1HA       GLY   5   1.919   3.181   1.317
   32    H    ALA   6           HN       ALA   6   0.664   1.147   2.941
   33    HA   ALA   6           HA       ALA   6   2.952   0.167   4.378
   34   1HB   ALA   6          1HB       ALA   6   1.176  -0.597   5.922
   35   2HB   ALA   6          2HB       ALA   6  -0.018  -0.190   4.688
   36   3HB   ALA   6          3HB       ALA   6   0.942   1.084   5.441
   37    H    ILE   7           HN       ILE   7   0.676  -1.007   2.168
   38    HA   ILE   7           HA       ILE   7   1.087  -3.826   2.635
   39    HB   ILE   7           HB       ILE   7  -0.866  -3.929   1.647
   40   1HG1  ILE   7          2HG1      ILE   7  -1.144  -2.941  -0.665
   41   2HG1  ILE   7          1HG1      ILE   7   0.571  -2.519  -0.552
   42   1HG2  ILE   7          1HG2      ILE   7  -0.707  -0.987   1.098
   43   2HG2  ILE   7          2HG2      ILE   7  -1.033  -1.656   2.701
   44   3HG2  ILE   7          3HG2      ILE   7  -2.142  -1.972   1.369
   45   1HD1  ILE   7          1HD1      ILE   7  -0.641  -5.144  -0.937
   46   2HD1  ILE   7          2HD1      ILE   7   0.451  -5.114   0.447
   47   3HD1  ILE   7          3HD1      ILE   7   1.038  -4.647  -1.150
   48    H    LEU   8           HN       LEU   8   2.686  -1.378   0.988
   49    HA   LEU   8           HA       LEU   8   3.843  -3.091  -1.113
   50   1HB   LEU   8          2HB       LEU   8   3.734  -0.248  -0.342
   51   2HB   LEU   8          1HB       LEU   8   5.259  -0.744  -1.077
   52    HG   LEU   8           HG       LEU   8   4.058  -1.687  -2.995
   53   1HD1  LEU   8          1HD1      LEU   8   1.744  -1.167  -1.211
   54   2HD1  LEU   8          2HD1      LEU   8   1.979  -2.442  -2.406
   55   3HD1  LEU   8          3HD1      LEU   8   1.486  -0.829  -2.922
   56   1HD2  LEU   8          1HD2      LEU   8   3.542   1.155  -2.170
   57   2HD2  LEU   8          2HD2      LEU   8   2.855   0.553  -3.678
   58   3HD2  LEU   8          3HD2      LEU   8   4.603   0.540  -3.437
   59    H    SER   9           HN       SER   9   4.379  -2.874   2.144
   60    HA   SER   9           HA       SER   9   7.147  -3.893   1.869
   61   1HB   SER   9          2HB       SER   9   6.398  -1.485   3.558
   62   2HB   SER   9          1HB       SER   9   8.002  -2.205   3.442
   63    HG   SER   9           HG       SER   9   8.043  -1.643   1.261
   64    H    SER  10           HN       SER  10   4.640  -5.122   2.718
   65    HA   SER  10           HA       SER  10   5.462  -6.036   5.343
   66   1HB   SER  10          2HB       SER  10   3.634  -5.196   6.480
   67   2HB   SER  10          1HB       SER  10   3.786  -3.959   5.237
   68    HG   SER  10           HG       SER  10   1.932  -4.579   4.489
  Start of MODEL   39
    1   1H    SER   1          1HT       SER   1  -1.635   7.055   6.403
    2   2H    SER   1          2HT       SER   1  -0.067   7.106   5.749
    3   3H    SER   1          3HT       SER   1  -0.618   5.705   6.537
    4    HA   SER   1           HA       SER   1  -1.527   6.778   3.920
    5   1HB   SER   1          2HB       SER   1   0.610   5.283   4.524
    6   2HB   SER   1          1HB       SER   1  -0.595   3.999   4.514
    7    HG   SER   1           HG       SER   1  -0.111   5.881   2.437
    8    H    ASN   2           HN       ASN   2  -3.079   5.090   2.913
    9    HA   ASN   2           HA       ASN   2  -5.152   4.458   4.861
   10   1HB   ASN   2          2HB       ASN   2  -5.015   5.496   2.217
   11   2HB   ASN   2          1HB       ASN   2  -5.908   3.977   2.144
   12   1HD2  ASN   2          1HD2      ASN   2  -5.783   6.989   4.136
   13   2HD2  ASN   2          2HD2      ASN   2  -7.457   7.049   4.409
   14    H    ASN   3           HN       ASN   3  -3.827   2.904   1.935
   15    HA   ASN   3           HA       ASN   3  -3.273   0.406   3.195
   16   1HB   ASN   3          2HB       ASN   3  -5.995   0.989   2.276
   17   2HB   ASN   3          1HB       ASN   3  -5.344  -0.493   1.575
   18   1HD2  ASN   3          1HD2      ASN   3  -6.948   0.707   4.292
   19   2HD2  ASN   3          2HD2      ASN   3  -6.591  -0.550   5.375
   20    H    PHE   4           HN       PHE   4  -1.699   1.850   1.529
   21    HA   PHE   4           HA       PHE   4  -1.548   0.143  -0.872
   22   1HB   PHE   4          2HB       PHE   4  -1.659   3.156  -0.925
   23   2HB   PHE   4          1HB       PHE   4  -1.399   2.129  -2.336
   24    HD1  PHE   4           1HD      PHE   4  -3.838   3.470   0.003
   25    HD2  PHE   4           2HD      PHE   4  -3.196   0.534  -3.065
   26    HE1  PHE   4           1HE      PHE   4  -6.291   3.192  -0.242
   27    HE2  PHE   4           2HE      PHE   4  -5.650   0.255  -3.312
   28    HZ   PHE   4           HZ       PHE   4  -7.197   1.584  -1.900
   29    H    GLY   5           HN       GLY   5  -0.093   2.506   1.147
   30   1HA   GLY   5          2HA       GLY   5   2.594   2.024   0.013
   31   2HA   GLY   5          1HA       GLY   5   2.205   3.224   1.251
   32    H    ALA   6           HN       ALA   6   0.618   1.252   2.779
   33    HA   ALA   6           HA       ALA   6   2.727   0.151   4.388
   34   1HB   ALA   6          1HB       ALA   6   0.701   1.168   5.302
   35   2HB   ALA   6          2HB       ALA   6   0.794  -0.529   5.780
   36   3HB   ALA   6          3HB       ALA   6  -0.271  -0.039   4.462
   37    H    ILE   7           HN       ILE   7   0.555  -0.940   2.024
   38    HA   ILE   7           HA       ILE   7   0.841  -3.767   2.543
   39    HB   ILE   7           HB       ILE   7  -1.067  -3.813   1.465
   40   1HG1  ILE   7          2HG1      ILE   7  -1.203  -2.858  -0.869
   41   2HG1  ILE   7          1HG1      ILE   7   0.513  -2.475  -0.679
   42   1HG2  ILE   7          1HG2      ILE   7  -2.253  -1.806   1.090
   43   2HG2  ILE   7          2HG2      ILE   7  -0.761  -0.886   0.906
   44   3HG2  ILE   7          3HG2      ILE   7  -1.213  -1.532   2.486
   45   1HD1  ILE   7          1HD1      ILE   7  -0.735  -5.071  -1.109
   46   2HD1  ILE   7          2HD1      ILE   7   0.269  -5.060   0.340
   47   3HD1  ILE   7          3HD1      ILE   7   0.966  -4.620  -1.221
   48    H    LEU   8           HN       LEU   8   2.583  -1.386   0.943
   49    HA   LEU   8           HA       LEU   8   3.823  -3.174  -1.055
   50   1HB   LEU   8          2HB       LEU   8   3.703  -0.303  -0.379
   51   2HB   LEU   8          1HB       LEU   8   5.259  -0.837  -1.019
   52    HG   LEU   8           HG       LEU   8   4.155  -1.820  -2.969
   53   1HD1  LEU   8          1HD1      LEU   8   2.037  -2.538  -2.567
   54   2HD1  LEU   8          2HD1      LEU   8   1.565  -0.888  -2.972
   55   3HD1  LEU   8          3HD1      LEU   8   1.786  -1.353  -1.287
   56   1HD2  LEU   8          1HD2      LEU   8   3.526   1.043  -2.265
   57   2HD2  LEU   8          2HD2      LEU   8   3.040   0.374  -3.822
   58   3HD2  LEU   8          3HD2      LEU   8   4.746   0.423  -3.379
   59    H    SER   9           HN       SER   9   4.237  -4.177   1.552
   60    HA   SER   9           HA       SER   9   7.189  -3.972   1.753
   61   1HB   SER   9          2HB       SER   9   5.314  -3.445   4.078
   62   2HB   SER   9          1HB       SER   9   7.072  -3.369   4.116
   63    HG   SER   9           HG       SER   9   5.236  -1.547   3.213
   64    H    SER  10           HN       SER  10   4.352  -5.301   3.502
   65    HA   SER  10           HA       SER  10   5.309  -8.000   3.061
   66   1HB   SER  10          2HB       SER  10   6.335  -6.748   5.176
   67   2HB   SER  10          1HB       SER  10   4.805  -7.233   5.900
   68    HG   SER  10           HG       SER  10   6.982  -8.702   5.441