*HEADER    PEPTIDE HORMONE                         29-SEP-98   1BWX      
*TITLE     THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE           
*TITLE    2 FRAGMENT 1-39, NMR, 10 STRUCTURES                            
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PARATHYROID HORMONE;                               
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: RESIDUES 1-39;                                     
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN                                       
*KEYWDS    PEPTIDE HORMONE, SOLUTION STRUCTURE, HUMAN PARATHYROID        
*KEYWDS   2 HORMONE                                                      
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    U.C.MARX,P.ROESCH,K.ADERMANN,P.BAYER,W.-G.FORSSMANN           
*REVDAT   1   12-OCT-04 1BWX    0   

!interresidual NOEs
assign (resid 38 and name HN)  (resid 39 and name HN)  2.0 0.0 2.0
assign (resid 25 and name HN)  (resid 26 and name HN)  2.0 0.0 1.0
assign (resid 4 and name HN)  (resid 5 and name HN)  2.0 0.0 1.0
assign (resid 5 and name HN)  (resid 6 and name HN)  2.0 0.0 3.0
assign (resid 10 and name HN)  (resid 11 and name HN)  2.0 0.0 2.0
assign (resid 20 and name HN)  (resid 21 and name HN)  2.0 0.0 1.0
assign (resid 32 and name HN)  (resid 31 and name HN)  2.0 0.0 1.0
assign (resid 14 and name HN)  (resid 13 and name HN)  2.0 0.0 3.0
assign (resid 14 and name HN)  (resid 15 and name HN)  2.0 0.0 3.0
assign (resid 16 and name HN)  (resid 15 and name HN)  2.0 0.0 2.0
assign (resid 16 and name HN)  (resid 17 and name HN)  2.0 0.0 2.0
assign (resid 19 and name HN)  (resid 20 and name HN)  2.0 0.0 3.0
assign (resid 22 and name HN)  (resid 21 and name HN)  2.0 0.0 1.0
assign (resid 36 and name HN)  (resid 35 and name HN)  2.0 0.0 1.0
assign (resid 29 and name HN)  (resid 30 and name HN)  2.0 0.0 2.0
assign (resid 31 and name HN)  (resid 30 and name HN)  2.0 0.0 2.0
assign (resid 32 and name HN)  (resid 33 and name HN)  2.0 0.0 2.0
assign (resid 24 and name HN)  (resid 23 and name HE3)  2.0 0.0 3.0
assign (resid 2 and name HN)  (resid 1 and name HB*)  2.0 0.0 3.5
assign (resid 4 and name HN)  (resid 3 and name HB1)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 23 and name HB2)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 23 and name HB1)  2.0 0.0 3.0
assign (resid 35 and name HN)  (resid 34 and name HB*)  2.0 0.0 3.5
assign (resid 10 and name HN)  (resid 9 and name HB2)  2.0 0.0 3.0
assign (resid 10 and name HN)  (resid 9 and name HB1)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HB2)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HB1)  2.0 0.0 3.0
assign (resid 15 and name HN)  (resid 14 and name HB1)  2.0 0.0 3.0
assign (resid 15 and name HN)  (resid 14 and name HB2)  2.0 0.0 3.0
assign (resid 17 and name HN)  (resid 16 and name HB2)  2.0 0.0 3.0
assign (resid 17 and name HN)  (resid 16 and name HB1)  2.0 0.0 3.0
assign (resid 11 and name HN)  (resid 10 and name HB2)  2.0 0.0 3.0
assign (resid 11 and name HN)  (resid 10 and name HB1)  2.0 0.0 3.0
assign (resid 31 and name HN)  (resid 30 and name HB2)  2.0 0.0 3.0
assign (resid 31 and name HN)  (resid 30 and name HB1)  2.0 0.0 3.0
assign (resid 7 and name HN)  (resid 6 and name HG*)  2.0 0.0 3.5
assign (resid 16 and name HN)  (resid 19 and name HB*)  2.0 0.0 2.5
assign (resid 32 and name HN)  (resid 31 and name HB)  2.0 0.0 3.0
assign (resid 22 and name HN)  (resid 21 and name HB)  2.0 0.0 3.0
assign (resid 20 and name HN)  (resid 19 and name HB*)  2.0 0.0 3.5
assign (resid 9 and name HN)  (resid 8 and name HB*)  2.0 0.0 3.5
assign (resid 19 and name HN)  (resid 18 and name HB*)  2.0 0.0 3.5
assign (resid 3 and name HN)  (resid 2 and name HB)  2.0 0.0 3.0
assign (resid 36 and name HN)  (resid 35 and name HB)  2.0 0.0 3.0
assign (resid 21 and name HN)  (resid 20 and name HB1)  2.0 0.0 3.0
assign (resid 21 and name HN)  (resid 20 and name HB2)  2.0 0.0 3.0
assign (resid 26 and name HN)  (resid 25 and name HB*)  2.0 0.0 3.5
assign (resid 27 and name HN)  (resid 26 and name HB*)  2.0 0.0 3.5
assign (resid 6 and name HN)  (resid 5 and name HB)  2.0 0.0 3.0
assign (resid 26 and name HN)  (resid 27 and name HB2)  2.0 0.0 3.0
assign (resid 26 and name HN)  (resid 27 and name HB1)  2.0 0.0 3.0
assign (resid 29 and name HN)  (resid 28 and name HB*)  2.0 0.0 3.5
assign (resid 29 and name HN)  (resid 28 and name HG)  2.0 0.0 3.0
assign (resid 12 and name HN)  (resid 11 and name HG)  2.0 0.0 3.0
assign (resid 12 and name HN)  (resid 11 and name HB*)  2.0 0.0 3.5
assign (resid 38 and name HN)  (resid 37 and name HG)  2.0 0.0 3.0
assign (resid 38 and name HN)  (resid 37 and name HB*)  2.0 0.0 3.5
assign (resid 14 and name HN)  (resid 13 and name HB*)  2.0 0.0 3.5
assign (resid 16 and name HN)  (resid 15 and name HG)  2.0 0.0 3.0
assign (resid 16 and name HN)  (resid 15 and name HB*)  2.0 0.0 3.5
assign (resid 37 and name HN)  (resid 36 and name HB*)  2.0 0.0 3.5
assign (resid 22 and name HN)  (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 28 and name HN)  (resid 27 and name HG*)  2.0 0.0 3.5
assign (resid 20 and name HN)  (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 3 and name HN)  (resid 2 and name HG*)  2.0 0.0 3.5
assign (resid 29 and name HN)  (resid 28 and name HD*)  2.0 0.0 3.5
assign (resid 32 and name HN)  (resid 31 and name HG*)  2.0 0.0 3.5
assign (resid 16 and name HN)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 5 and name HN)  (resid 4 and name HB1)  2.0 0.0 3.0
assign (resid 5 and name HN)  (resid 4 and name HB2)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HB2)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HB1)  2.0 0.0 3.0
assign (resid 2 and name HN)  (resid 1 and name HA)  2.0 0.0 3.0
assign (resid 3 and name HN)  (resid 2 and name HA)  2.0 0.0 3.0
assign (resid 4 and name HN)  (resid 3 and name HA)  2.0 0.0 3.0
assign (resid 5 and name HN)  (resid 4 and name HA)  2.0 0.0 3.0
assign (resid 6 and name HN)  (resid 5 and name HA)  2.0 0.0 3.0
assign (resid 9 and name HN)  (resid 8 and name HA)  2.0 0.0 3.0
assign (resid 11 and name HN)  (resid 10 and name HA)  2.0 0.0 3.0
assign (resid 12 and name HN)  (resid 11 and name HA)  2.0 0.0 3.0
assign (resid 13 and name HN)  (resid 12 and name HA*)  2.0 0.0 3.5
assign (resid 14 and name HN)  (resid 13 and name HA)  2.0 0.0 3.0
assign (resid 15 and name HN)  (resid 14 and name HA)  2.0 0.0 3.0
assign (resid 16 and name HN)  (resid 15 and name HA)  2.0 0.0 3.0
assign (resid 19 and name HN)  (resid 18 and name HA)  2.0 0.0 3.0
assign (resid 21 and name HN)  (resid 20 and name HA)  2.0 0.0 3.0
assign (resid 22 and name HN)  (resid 21 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HN)  (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 23 and name HA)  2.0 0.0 3.0
assign (resid 25 and name HN)  (resid 24 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HN)  (resid 25 and name HA)  2.0 0.0 3.0
assign (resid 27 and name HN)  (resid 26 and name HA)  2.0 0.0 3.0
assign (resid 28 and name HN)  (resid 27 and name HA)  2.0 0.0 3.0
assign (resid 31 and name HN)  (resid 30 and name HA)  2.0 0.0 3.0
assign (resid 32 and name HN)  (resid 31 and name HA)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HA)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HA)  2.0 0.0 3.0
assign (resid 35 and name HN)  (resid 34 and name HA)  2.0 0.0 3.0
assign (resid 36 and name HN)  (resid 35 and name HA)  2.0 0.0 3.0
assign (resid 37 and name HN)  (resid 36 and name HA)  2.0 0.0 3.0
assign (resid 38 and name HN)  (resid 37 and name HA)  2.0 0.0 3.0
assign (resid 39 and name HN)  (resid 38 and name HA*)  2.0 0.0 3.5
assign (resid 8 and name HN)  (resid 5 and name HA)  2.0 0.0 3.0
assign (resid 20 and name HN)  (resid 17 and name HA)  2.0 0.0 3.0
assign (resid 30 and name HN)  (resid 27 and name HA)  2.0 0.0 2.0
assign (resid 26 and name HN)  (resid 23 and name HA)  2.0 0.0 2.0
assign (resid 29 and name HN)  (resid 26 and name HA)  2.0 0.0 2.0
assign (resid 21 and name HN)  (resid 18 and name HA)  2.0 0.0 2.0
assign (resid 24 and name HN)  (resid 21 and name HA)  2.0 0.0 3.0
assign (resid 27 and name HN)  (resid 24 and name HA)  2.0 0.0 2.0
assign (resid 25 and name HN)  (resid 22 and name HA)  2.0 0.0 2.0
assign (resid 31 and name HN)  (resid 28 and name HA)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 20 and name HA)  2.0 0.0 3.0
assign (resid 25 and name HN)  (resid 21 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HN)  (resid 8 and name HA)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 5 and name HN)  (resid 3 and name HA)  2.0 0.0 3.0
assign (resid 19 and name HN)  (resid 17 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HD1)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE1)  (resid 27 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE1)  (resid 27 and name HE1)  2.0 0.0 3.0
assign (resid 23 and name HE1)  (resid 27 and name HE2)  2.0 0.0 3.0
assign (resid 23 and name HE3)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HZ2)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HD1)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HZ3)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE3)  (resid 24 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HZ3)  (resid 24 and name HA)  2.0 0.0 3.0
assign (resid 34 and name HD*)  (resid 31 and name HA)  2.0 0.0 3.5
assign (resid 25 and name HE)  (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HE3)  (resid 20 and name HA)  2.0 0.0 3.0
assign (resid 20 and name HA)  (resid 23 and name HB2)  2.0 0.0 2.0
assign (resid 20 and name HA)  (resid 23 and name HB1)  2.0 0.0 1.0
assign (resid 6 and name HA)  (resid 9 and name HB2)  2.0 0.0 2.0
assign (resid 6 and name HA)  (resid 9 and name HB1)  2.0 0.0 3.0
assign (resid 7 and name HA)  (resid 10 and name HB2)  2.0 0.0 3.0
assign (resid 7 and name HA)  (resid 10 and name HB2)  2.0 0.0 3.0
assign (resid 22 and name HA)  (resid 25 and name HD*)  2.0 0.0 2.5
assign (resid 26 and name HA)  (resid 29 and name HB*)  2.0 0.0 3.5
assign (resid 26 and name HA)  (resid 29 and name HG*)  2.0 0.0 3.5
assign (resid 31 and name HA)  (resid 34 and name HB*)  2.0 0.0 2.5
assign (resid 17 and name HA)  (resid 20 and name HD*)  2.0 0.0 3.5
assign (resid 27 and name HA)  (resid 30 and name HB2)  2.0 0.0 2.0
assign (resid 5 and name HA)  (resid 8 and name HB*)  2.0 0.0 3.2
assign (resid 22 and name HA)  (resid 25 and name HB*)  2.0 0.0 1.5
assign (resid 17 and name HA)  (resid 20 and name HB2)  2.0 0.0 3.0
assign (resid 17 and name HA)  (resid 20 and name HB1)  2.0 0.0 3.0
assign (resid 23 and name HA)  (resid 26 and name HB*)  2.0 0.0 2.5
assign (resid 21 and name HA)  (resid 24 and name HB*)  2.0 0.0 2.5
assign (resid 21 and name HA)  (resid 24 and name HG)  2.0 0.0 2.0
assign (resid 24 and name HA)  (resid 27 and name HB1)  2.0 0.0 3.0
assign (resid 22 and name HA)  (resid 25 and name HG1)  2.0 0.0 3.0
assign (resid 8 and name HA)  (resid 11 and name HB*)  2.0 0.0 3.5
assign (resid 18 and name HA)  (resid 21 and name HB)  2.0 0.0 2.0
assign (resid 24 and name HA)  (resid 27 and name HG*)  2.0 0.0 2.5
assign (resid 20 and name HA)  (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 18 and name HA)  (resid 21 and name HG1*)  2.0 0.0 2.5
assign (resid 18 and name HA)  (resid 21 and name HG2*)  2.0 0.0 3.5
assign (resid 12 and name HA*)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 19 and name HA)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HB2)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HB1)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 19 and name HB*)  (resid 15 and name HG)  2.0 0.0 3.5
assign (resid 19 and name HB*)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 29 and name HA) (resid 32 and name HB1)  2.0 0.0 2.0
assign (resid 22 and name HA) (resid 25 and name HG2)  2.0 0.0 3.0
assign (resid 35 and name HA) (resid 36 and name HB*)  2.0 0.0 3.5
assign (resid 19 and name HN) (resid 21 and name HN)  2.0 0.0 3.0
assign (resid 12 and name HN) (resid 13 and name HN)  2.0 0.0 2.0
assign (resid 22 and name HN) (resid 23 and name HN)  2.0 0.0 3.0
assign (resid 33 and name HN) (resid 34 and name HN)  2.0 0.0 2.0
assign (resid 9 and name HN) (resid 8 and name HN)  2.0 0.0 2.0
assign (resid 24 and name HN) (resid 26 and name HN)  2.0 0.0 3.0
assign (resid 4 and name HN) (resid 6 and name HN)  2.0 0.0 3.0
assign (resid 14 and name HN) (resid 12 and name HA*)  2.0 0.0 3.5
assign (resid 20 and name HN) (resid 18 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HN) (resid 24 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HN) (resid 21 and name HA)  2.0 0.0 3.0
assign (resid 33 and name HN) (resid 31 and name HA)  2.0 0.0 3.0
assign (resid 9 and name HN) (resid 6 and name HA)  2.0 0.0 3.0
assign (resid 34 and name HN) (resid 31 and name HA)  2.0 0.0 3.0
assign (resid 29 and name HN) (resid 25 and name HA)  2.0 0.0 3.0
assign (resid 22 and name HN) (resid 18 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HN) (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 28 and name HN) (resid 24 and name HA)  2.0 0.0 3.0
assign (resid 21 and name HN) (resid 20 and name HD*)  2.0 0.0 3.5
assign (resid 26 and name HN) (resid 25 and name HD*)  2.0 0.0 3.5
assign (resid 20 and name HN) (resid 15 and name HD*)  2.0 0.0 3.5

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    SER   1           HT1      SER   1  22.817   9.059   9.059
    2   2H    SER   1           HT3      SER   1  22.475   9.305   9.305
    3   3H    SER   1           HT2      SER   1  24.044   8.867   8.867
    4    HA   SER   1           HA       SER   1  23.256   6.713   6.713
    5   1HB   SER   1           HB2      SER   1  22.604   5.799   5.799
    6   2HB   SER   1           HB1      SER   1  24.048   6.805   6.805
    7    HG   SER   1           HG       SER   1  21.935   7.109   7.109
    8    H    VAL   2           HN       VAL   2  21.523   5.308   5.308
    9    HA   VAL   2           HA       VAL   2  18.765   6.455   6.455
   10    HB   VAL   2           HB       VAL   2  19.793   4.756   4.756
   11   1HG1  VAL   2          HG13      VAL   2  17.116   6.032   6.032
   12   2HG1  VAL   2          HG12      VAL   2  17.568   5.523   5.523
   13   3HG1  VAL   2          HG11      VAL   2  17.455   4.334   4.334
   14   1HG2  VAL   2          HG22      VAL   2  19.196   7.727   7.727
   15   2HG2  VAL   2          HG21      VAL   2  20.744   6.981   6.981
   16   3HG2  VAL   2          HG23      VAL   2  19.402   6.883   6.883
   17    H    SER   3           HN       SER   3  17.543   5.223   5.223
   18    HA   SER   3           HA       SER   3  18.237   2.340   2.340
   19   1HB   SER   3           HB2      SER   3  17.010   2.497   2.497
   20   2HB   SER   3           HB1      SER   3  18.247   3.745   3.745
   21    HG   SER   3           HG       SER   3  15.464   3.949   3.949
   22    H    GLU   4           HN       GLU   4  16.640   0.736   0.736
   23    HA   GLU   4           HA       GLU   4  14.761  -0.304  -0.304
   24   1HB   GLU   4           HB2      GLU   4  13.502   2.266   2.266
   25   2HB   GLU   4           HB1      GLU   4  12.559   0.962   0.962
   26   1HG   GLU   4           HG2      GLU   4  12.467   0.468   0.468
   27   2HG   GLU   4           HG1      GLU   4  13.786  -0.558  -0.558
   28    H    ILE   5           HN       ILE   5  16.473   1.123   1.123
   29    HA   ILE   5           HA       ILE   5  15.002   2.734   2.734
   30    HB   ILE   5           HB       ILE   5  17.492   2.609   2.609
   31   1HG1  ILE   5          HG12      ILE   5  16.893   1.790   1.790
   32   2HG1  ILE   5          HG11      ILE   5  15.873   3.074   3.074
   33   1HG2  ILE   5          HG22      ILE   5  17.586   0.076   0.076
   34   2HG2  ILE   5          HG21      ILE   5  17.234   0.000   0.000
   35   3HG2  ILE   5          HG23      ILE   5  18.710   0.779   0.779
   36   1HD1  ILE   5          HD12      ILE   5  18.781   3.343   3.343
   37   2HD1  ILE   5          HD11      ILE   5  18.289   3.533   3.533
   38   3HD1  ILE   5          HD13      ILE   5  17.595   4.573   4.573
   39    H    GLN   6           HN       GLN   6  15.504  -0.820  -0.820
   40    HA   GLN   6           HA       GLN   6  13.991  -1.303  -1.303
   41   1HB   GLN   6           HB2      GLN   6  15.180  -2.999  -2.999
   42   2HB   GLN   6           HB1      GLN   6  13.883  -3.703  -3.703
   43   1HG   GLN   6           HG2      GLN   6  16.284  -2.342  -2.342
   44   2HG   GLN   6           HG1      GLN   6  16.252  -4.067  -4.067
   45   1HE2  GLN   6          HE21      GLN   6  14.560  -5.391  -5.391
   46   2HE2  GLN   6          HE22      GLN   6  13.927  -4.824  -4.824
   47    H    LEU   7           HN       LEU   7  13.202  -1.162  -1.162
   48    HA   LEU   7           HA       LEU   7  10.592  -2.267  -2.267
   49   1HB   LEU   7           HB2      LEU   7  12.036  -1.370  -1.370
   50   2HB   LEU   7           HB1      LEU   7  11.377   0.211   0.211
   51    HG   LEU   7           HG       LEU   7   9.324  -1.895  -1.895
   52   1HD1  LEU   7          HD12      LEU   7  11.109  -1.174  -1.174
   53   2HD1  LEU   7          HD11      LEU   7   9.467  -1.774  -1.774
   54   3HD1  LEU   7          HD13      LEU   7  10.673  -2.783  -2.783
   55   1HD2  LEU   7          HD22      LEU   7   9.751   0.852   0.852
   56   2HD2  LEU   7          HD21      LEU   7   8.757   0.476   0.476
   57   3HD2  LEU   7          HD23      LEU   7   8.281  -0.105  -0.105
   58    H    MET   8           HN       MET   8  11.589   1.137   1.137
   59    HA   MET   8           HA       MET   8   8.936   2.085   2.085
   60   1HB   MET   8           HB2      MET   8  11.724   3.146   3.146
   61   2HB   MET   8           HB1      MET   8  10.500   3.874   3.874
   62   1HG   MET   8           HG2      MET   8  10.411   5.186   5.186
   63   2HG   MET   8           HG1      MET   8   9.067   4.063   4.063
   64   1HE   MET   8           HE3      MET   8  12.273   5.479   5.479
   65   2HE   MET   8           HE2      MET   8  13.046   4.210   4.210
   66   3HE   MET   8           HE1      MET   8  12.984   4.077   4.077
   67    H    HIS   9           HN       HIS   9  11.636   0.751   0.751
   68    HA   HIS   9           HA       HIS   9  10.580   1.255   1.255
   69   1HB   HIS   9           HB2      HIS   9  12.408  -0.933  -0.933
   70   2HB   HIS   9           HB1      HIS   9  12.007  -0.746  -0.746
   71    HD1  HIS   9           HD1      HIS   9  14.915  -0.425  -0.425
   72    HD2  HIS   9           HD2      HIS   9  12.266   2.782   2.782
   73    HE1  HIS   9           HE1      HIS   9  16.331   1.654   1.654
   74    H    ASN  10           HN       ASN  10   9.773  -1.246  -1.246
   75    HA   ASN  10           HA       ASN  10   8.386  -2.996  -2.996
   76   1HB   ASN  10           HB2      ASN  10   8.525  -2.774  -2.774
   77   2HB   ASN  10           HB1      ASN  10   7.368  -3.856  -3.856
   78   1HD2  ASN  10          HD21      ASN  10  10.601  -3.647  -3.647
   79   2HD2  ASN  10          HD22      ASN  10  11.199  -5.019  -5.019
   80    H    LEU  11           HN       LEU  11   7.376  -0.324  -0.324
   81    HA   LEU  11           HA       LEU  11   5.251   0.548   0.548
   82   1HB   LEU  11           HB2      LEU  11   4.333   1.752   1.752
   83   2HB   LEU  11           HB1      LEU  11   6.071   1.946   1.946
   84    HG   LEU  11           HG       LEU  11   5.466  -0.349  -0.349
   85   1HD1  LEU  11          HD12      LEU  11   3.396   0.931   0.931
   86   2HD1  LEU  11          HD11      LEU  11   4.383   2.324   2.324
   87   3HD1  LEU  11          HD13      LEU  11   4.465   0.846   0.846
   88   1HD2  LEU  11          HD22      LEU  11   7.580   1.112   1.112
   89   2HD2  LEU  11          HD21      LEU  11   7.085   0.652   0.652
   90   3HD2  LEU  11          HD23      LEU  11   6.732   2.271   2.271
   91    H    GLY  12           HN       GLY  12   4.630  -1.905  -1.905
   92   1HA   GLY  12           HA2      GLY  12   2.147  -2.598  -2.598
   93   2HA   GLY  12           HA1      GLY  12   2.270  -2.667  -2.667
   94    H    LYS  13           HN       LYS  13   5.002  -3.795  -3.795
   95    HA   LYS  13           HA       LYS  13   4.318  -6.621  -6.621
   96   1HB   LYS  13           HB2      LYS  13   6.843  -5.182  -5.182
   97   2HB   LYS  13           HB1      LYS  13   6.747  -6.938  -6.938
   98   1HG   LYS  13           HG2      LYS  13   4.928  -6.983  -6.983
   99   2HG   LYS  13           HG1      LYS  13   4.922  -5.221  -5.221
  100   1HD   LYS  13           HD2      LYS  13   7.447  -6.768  -6.768
  101   2HD   LYS  13           HD1      LYS  13   6.229  -6.540  -6.540
  102   1HE   LYS  13           HE2      LYS  13   6.866  -4.402  -4.402
  103   2HE   LYS  13           HE1      LYS  13   6.765  -4.036  -4.036
  104   1HZ   LYS  13           HZ2      LYS  13   8.958  -5.018  -5.018
  105   2HZ   LYS  13           HZ1      LYS  13   9.059  -5.356  -5.356
  106   3HZ   LYS  13           HZ3      LYS  13   9.014  -3.748  -3.748
  107    H    HIS  14           HN       HIS  14   6.107  -4.252  -4.252
  108    HA   HIS  14           HA       HIS  14   7.247  -6.381  -6.381
  109   1HB   HIS  14           HB2      HIS  14   8.045  -3.744  -3.744
  110   2HB   HIS  14           HB1      HIS  14   7.783  -3.737  -3.737
  111    HD1  HIS  14           HD1      HIS  14   9.210  -6.505  -6.505
  112    HD2  HIS  14           HD2      HIS  14  10.319  -4.115  -4.115
  113    HE1  HIS  14           HE1      HIS  14  11.498  -7.308  -7.308
  114    H    LEU  15           HN       LEU  15   5.053  -3.549  -3.549
  115    HA   LEU  15           HA       LEU  15   3.446  -2.985  -2.985
  116   1HB   LEU  15           HB2      LEU  15   3.330  -5.995  -5.995
  117   2HB   LEU  15           HB1      LEU  15   2.155  -4.881  -4.881
  118    HG   LEU  15           HG       LEU  15   2.815  -5.029  -5.029
  119   1HD1  LEU  15          HD12      LEU  15   1.691  -7.080  -7.080
  120   2HD1  LEU  15          HD11      LEU  15   0.366  -6.056  -6.056
  121   3HD1  LEU  15          HD13      LEU  15   0.710  -6.197  -6.197
  122   1HD2  LEU  15          HD21      LEU  15   0.765  -3.505  -3.505
  123   2HD2  LEU  15          HD23      LEU  15   1.976  -2.855  -2.855
  124   3HD2  LEU  15          HD22      LEU  15   0.598  -3.750  -3.750
  125    H    ASN  16           HN       ASN  16   4.911  -1.875  -1.875
  126    HA   ASN  16           HA       ASN  16   5.316  -3.209  -3.209
  127   1HB   ASN  16           HB2      ASN  16   7.479  -1.854  -1.854
  128   2HB   ASN  16           HB1      ASN  16   7.628  -2.140  -2.140
  129   1HD2  ASN  16          HD21      ASN  16   7.945  -3.610  -3.610
  130   2HD2  ASN  16          HD22      ASN  16   8.260  -5.186  -5.186
  131    H    SER  17           HN       SER  17   6.126  -0.035  -0.035
  132    HA   SER  17           HA       SER  17   4.855   1.291   1.291
  133   1HB   SER  17           HB2      SER  17   6.231   3.311   3.311
  134   2HB   SER  17           HB1      SER  17   7.139   1.956   1.956
  135    HG   SER  17           HG       SER  17   8.077   1.753   1.753
  136    H    MET  18           HN       MET  18   5.479   2.854   2.854
  137    HA   MET  18           HA       MET  18   2.764   3.894   3.894
  138   1HB   MET  18           HB2      MET  18   4.942   4.929   4.929
  139   2HB   MET  18           HB1      MET  18   4.652   3.858   3.858
  140   1HG   MET  18           HG2      MET  18   3.109   5.284   5.284
  141   2HG   MET  18           HG1      MET  18   2.176   5.151   5.151
  142   1HE   MET  18           HE3      MET  18   4.037   7.085   7.085
  143   2HE   MET  18           HE2      MET  18   4.709   8.511   8.511
  144   3HE   MET  18           HE1      MET  18   5.538   6.963   6.963
  145    H    GLU  19           HN       GLU  19   4.371   1.067   1.067
  146    HA   GLU  19           HA       GLU  19   2.363   0.481   0.481
  147   1HB   GLU  19           HB2      GLU  19   4.219  -1.477  -1.477
  148   2HB   GLU  19           HB1      GLU  19   3.435  -1.683  -1.683
  149   1HG   GLU  19           HG2      GLU  19   4.814  -0.024  -0.024
  150   2HG   GLU  19           HG1      GLU  19   5.394   0.559   0.559
  151    H    ARG  20           HN       ARG  20   2.973  -0.716  -0.716
  152    HA   ARG  20           HA       ARG  20   0.776  -2.511  -2.511
  153   1HB   ARG  20           HB2      ARG  20   2.785  -1.616  -1.616
  154   2HB   ARG  20           HB1      ARG  20   1.231  -1.435  -1.435
  155   1HG   ARG  20           HG2      ARG  20   0.680  -3.788  -3.788
  156   2HG   ARG  20           HG1      ARG  20   2.261  -3.964  -3.964
  157   1HD   ARG  20           HD2      ARG  20   3.120  -3.059  -3.059
  158   2HD   ARG  20           HD1      ARG  20   1.572  -3.694  -3.694
  159    HE   ARG  20           HE       ARG  20   2.450  -5.862  -5.862
  160   1HH1  ARG  20          HH11      ARG  20   3.053  -5.444  -5.444
  161   2HH1  ARG  20          HH12      ARG  20   4.755  -5.755  -5.755
  162   1HH2  ARG  20          HH21      ARG  20   5.158  -5.480  -5.480
  163   2HH2  ARG  20          HH22      ARG  20   5.956  -5.774  -5.774
  164    H    VAL  21           HN       VAL  21   0.955   0.766   0.766
  165    HA   VAL  21           HA       VAL  21  -1.698   1.058   1.058
  166    HB   VAL  21           HB       VAL  21   0.010   2.755   2.755
  167   1HG1  VAL  21          HG12      VAL  21   1.050   2.470   2.470
  168   2HG1  VAL  21          HG11      VAL  21  -0.192   3.562   3.562
  169   3HG1  VAL  21          HG13      VAL  21   0.967   4.120   4.120
  170   1HG2  VAL  21          HG21      VAL  21  -2.513   3.373   3.373
  171   2HG2  VAL  21          HG23      VAL  21  -1.333   4.681   4.681
  172   3HG2  VAL  21          HG22      VAL  21  -2.018   4.173   4.173
  173    H    GLU  22           HN       GLU  22  -0.497   1.411   1.411
  174    HA   GLU  22           HA       GLU  22  -2.953   2.361   2.361
  175   1HB   GLU  22           HB2      GLU  22  -0.373   1.360   1.360
  176   2HB   GLU  22           HB1      GLU  22  -1.706   0.817   0.817
  177   1HG   GLU  22           HG2      GLU  22  -1.117   2.903   2.903
  178   2HG   GLU  22           HG1      GLU  22  -2.508   3.281   3.281
  179    H    TRP  23           HN       TRP  23  -1.659  -0.934  -0.934
  180    HA   TRP  23           HA       TRP  23  -3.834  -2.385  -2.385
  181   1HB   TRP  23           HB2      TRP  23  -1.940  -3.728  -3.728
  182   2HB   TRP  23           HB1      TRP  23  -1.613  -3.034  -3.034
  183    HD1  TRP  23           HD1      TRP  23  -4.483  -5.100  -5.100
  184    HE1  TRP  23           HE1      TRP  23  -5.196  -6.913  -6.913
  185    HE3  TRP  23           HE3      TRP  23  -1.335  -3.994  -3.994
  186    HZ2  TRP  23           HZ2      TRP  23  -4.535  -7.750  -7.750
  187    HZ3  TRP  23           HZ3      TRP  23  -1.430  -5.259  -5.259
  188    HH2  TRP  23           HH2      TRP  23  -2.999  -7.154  -7.154
  189    H    LEU  24           HN       LEU  24  -3.236  -1.268  -1.268
  190    HA   LEU  24           HA       LEU  24  -5.602  -2.414  -2.414
  191   1HB   LEU  24           HB2      LEU  24  -3.798  -0.150  -0.150
  192   2HB   LEU  24           HB1      LEU  24  -5.257  -0.533  -0.533
  193    HG   LEU  24           HG       LEU  24  -3.672  -1.811  -1.811
  194   1HD1  LEU  24          HD12      LEU  24  -5.529  -3.293  -3.293
  195   2HD1  LEU  24          HD11      LEU  24  -4.372  -3.791  -3.791
  196   3HD1  LEU  24          HD13      LEU  24  -4.055  -4.141  -4.141
  197   1HD2  LEU  24          HD23      LEU  24  -1.831  -1.249  -1.249
  198   2HD2  LEU  24          HD22      LEU  24  -1.791  -2.948  -2.948
  199   3HD2  LEU  24          HD21      LEU  24  -2.410  -2.484  -2.484
  200    H    ARG  25           HN       ARG  25  -4.958   0.763   0.763
  201    HA   ARG  25           HA       ARG  25  -7.419   2.081   2.081
  202   1HB   ARG  25           HB2      ARG  25  -5.436   2.307   2.307
  203   2HB   ARG  25           HB1      ARG  25  -6.909   3.276   3.276
  204   1HG   ARG  25           HG2      ARG  25  -6.253   4.513   4.513
  205   2HG   ARG  25           HG1      ARG  25  -5.219   3.228   3.228
  206   1HD   ARG  25           HD2      ARG  25  -3.766   4.966   4.966
  207   2HD   ARG  25           HD1      ARG  25  -3.678   3.640   3.640
  208    HE   ARG  25           HE       ARG  25  -5.449   6.005   6.005
  209   1HH1  ARG  25          HH11      ARG  25  -5.431   3.703   3.703
  210   2HH1  ARG  25          HH12      ARG  25  -4.314   4.253   4.253
  211   1HH2  ARG  25          HH21      ARG  25  -2.962   6.746   6.746
  212   2HH2  ARG  25          HH22      ARG  25  -2.901   5.985   5.985
  213    H    LYS  26           HN       LYS  26  -6.529  -0.088  -0.088
  214    HA   LYS  26           HA       LYS  26  -9.097   0.019   0.019
  215   1HB   LYS  26           HB2      LYS  26  -7.158  -0.759  -0.759
  216   2HB   LYS  26           HB1      LYS  26  -6.851  -2.031  -2.031
  217   1HG   LYS  26           HG2      LYS  26  -7.915  -3.214  -3.214
  218   2HG   LYS  26           HG1      LYS  26  -9.264  -2.855  -2.855
  219   1HD   LYS  26           HD2      LYS  26  -8.589  -0.879  -0.879
  220   2HD   LYS  26           HD1      LYS  26  -9.405  -2.369  -2.369
  221   1HE   LYS  26           HE2      LYS  26 -10.398  -0.379  -0.379
  222   2HE   LYS  26           HE1      LYS  26 -11.036  -0.568  -0.568
  223   1HZ   LYS  26           HZ3      LYS  26 -11.317  -3.048  -3.048
  224   2HZ   LYS  26           HZ2      LYS  26 -11.339  -2.317  -2.317
  225   3HZ   LYS  26           HZ1      LYS  26 -12.482  -1.870  -1.870
  226    H    LYS  27           HN       LYS  27  -7.669  -2.114  -2.114
  227    HA   LYS  27           HA       LYS  27  -9.721  -4.044  -4.044
  228   1HB   LYS  27           HB2      LYS  27  -7.398  -3.907  -3.907
  229   2HB   LYS  27           HB1      LYS  27  -8.252  -2.995  -2.995
  230   1HG   LYS  27           HG2      LYS  27  -8.144  -5.418  -5.418
  231   2HG   LYS  27           HG1      LYS  27  -9.803  -4.863  -4.863
  232   1HD   LYS  27           HD2      LYS  27  -9.473  -7.034  -7.034
  233   2HD   LYS  27           HD1      LYS  27  -9.847  -5.786  -5.786
  234   1HE   LYS  27           HE2      LYS  27  -6.957  -6.194  -6.194
  235   2HE   LYS  27           HE1      LYS  27  -7.768  -7.519  -7.519
  236   1HZ   LYS  27           HZ1      LYS  27  -8.686  -5.545  -5.545
  237   2HZ   LYS  27           HZ3      LYS  27  -7.272  -4.777  -4.777
  238   3HZ   LYS  27           HZ2      LYS  27  -7.169  -6.240  -6.240
  239    H    LEU  28           HN       LEU  28  -9.560  -0.759  -0.759
  240    HA   LEU  28           HA       LEU  28 -11.827  -0.948  -0.948
  241   1HB   LEU  28           HB2      LEU  28 -10.639   1.401   1.401
  242   2HB   LEU  28           HB1      LEU  28 -11.972   1.573   1.573
  243    HG   LEU  28           HG       LEU  28  -9.607   0.039   0.039
  244   1HD1  LEU  28          HD12      LEU  28  -9.403   2.773   2.773
  245   2HD1  LEU  28          HD11      LEU  28  -8.911   2.644   2.644
  246   3HD1  LEU  28          HD13      LEU  28  -8.129   1.646   1.646
  247   1HD2  LEU  28          HD22      LEU  28 -11.358   2.213   2.213
  248   2HD2  LEU  28          HD21      LEU  28 -11.576   0.478   0.478
  249   3HD2  LEU  28          HD23      LEU  28 -10.144   1.276   1.276
  250    H    GLN  29           HN       GLN  29 -11.581  -0.165  -0.165
  251    HA   GLN  29           HA       GLN  29 -14.412   0.364   0.364
  252   1HB   GLN  29           HB2      GLN  29 -12.098  -0.212  -0.212
  253   2HB   GLN  29           HB1      GLN  29 -13.746  -0.185  -0.185
  254   1HG   GLN  29           HG2      GLN  29 -13.119   2.041   2.041
  255   2HG   GLN  29           HG1      GLN  29 -13.887   2.113   2.113
  256   1HE2  GLN  29          HE21      GLN  29 -12.546   2.641   2.641
  257   2HE2  GLN  29          HE22      GLN  29 -10.888   2.974   2.974
  258    H    ASP  30           HN       ASP  30 -12.351  -2.556  -2.556
  259    HA   ASP  30           HA       ASP  30 -14.338  -4.318  -4.318
  260   1HB   ASP  30           HB2      ASP  30 -12.002  -4.984  -4.984
  261   2HB   ASP  30           HB1      ASP  30 -12.932  -6.160  -6.160
  262    H    VAL  31           HN       VAL  31 -13.337  -3.694  -3.694
  263    HA   VAL  31           HA       VAL  31 -15.276  -5.363  -5.363
  264    HB   VAL  31           HB       VAL  31 -13.877  -2.829  -2.829
  265   1HG1  VAL  31          HG12      VAL  31 -15.586  -4.841  -4.841
  266   2HG1  VAL  31          HG11      VAL  31 -14.434  -3.782  -3.782
  267   3HG1  VAL  31          HG13      VAL  31 -15.794  -3.091  -3.091
  268   1HG2  VAL  31          HG23      VAL  31 -12.494  -4.893  -4.893
  269   2HG2  VAL  31          HG22      VAL  31 -12.319  -4.315  -4.315
  270   3HG2  VAL  31          HG21      VAL  31 -13.326  -5.722  -5.722
  271    H    HIS  32           HN       HIS  32 -15.394  -1.948  -1.948
  272    HA   HIS  32           HA       HIS  32 -17.900  -1.155  -1.155
  273   1HB   HIS  32           HB2      HIS  32 -16.150   0.258   0.258
  274   2HB   HIS  32           HB1      HIS  32 -16.835  -0.370  -0.370
  275    HD1  HIS  32           HD1      HIS  32 -18.790   0.734   0.734
  276    HD2  HIS  32           HD2      HIS  32 -18.178   1.896   1.896
  277    HE1  HIS  32           HE1      HIS  32 -20.391   2.645   2.645
  278    H    ASN  33           HN       ASN  33 -17.152  -2.758  -2.758
  279    HA   ASN  33           HA       ASN  33 -20.062  -3.301  -3.301
  280   1HB   ASN  33           HB2      ASN  33 -17.687  -3.372  -3.372
  281   2HB   ASN  33           HB1      ASN  33 -19.310  -3.885  -3.885
  282   1HD2  ASN  33          HD21      ASN  33 -17.454  -1.007  -1.007
  283   2HD2  ASN  33          HD22      ASN  33 -18.553   0.125   0.125
  284    H    PHE  34           HN       PHE  34 -18.806  -4.840  -4.840
  285    HA   PHE  34           HA       PHE  34 -18.379  -7.512  -7.512
  286   1HB   PHE  34           HB2      PHE  34 -16.763  -6.218  -6.218
  287   2HB   PHE  34           HB1      PHE  34 -17.728  -7.245  -7.245
  288    HD1  PHE  34           HD2      PHE  34 -17.888  -9.743  -9.743
  289    HD2  PHE  34           HD1      PHE  34 -15.007  -7.124  -7.124
  290    HE1  PHE  34           HE2      PHE  34 -16.524 -11.701 -11.701
  291    HE2  PHE  34           HE1      PHE  34 -13.646  -9.081  -9.081
  292    HZ   PHE  34           HZ       PHE  34 -14.404 -11.371 -11.371
  293    H    VAL  35           HN       VAL  35 -19.736  -6.160  -6.160
  294    HA   VAL  35           HA       VAL  35 -22.020  -8.080  -8.080
  295    HB   VAL  35           HB       VAL  35 -22.051  -8.227  -8.227
  296   1HG1  VAL  35          HG13      VAL  35 -21.024  -9.949  -9.949
  297   2HG1  VAL  35          HG12      VAL  35 -19.458  -9.213  -9.213
  298   3HG1  VAL  35          HG11      VAL  35 -20.384  -9.950  -9.950
  299   1HG2  VAL  35          HG23      VAL  35 -19.342  -6.878  -6.878
  300   2HG2  VAL  35          HG22      VAL  35 -20.728  -6.273  -6.273
  301   3HG2  VAL  35          HG21      VAL  35 -19.875  -7.709  -7.709
  302    H    ALA  36           HN       ALA  36 -20.950  -4.970  -4.970
  303    HA   ALA  36           HA       ALA  36 -23.679  -3.902  -3.902
  304   1HB   ALA  36           HB2      ALA  36 -23.457  -4.709  -4.709
  305   2HB   ALA  36           HB1      ALA  36 -22.194  -3.497  -3.497
  306   3HB   ALA  36           HB3      ALA  36 -23.839  -2.994  -2.994
  307    H    LEU  37           HN       LEU  37 -23.624  -1.777  -1.777
  308    HA   LEU  37           HA       LEU  37 -20.985  -0.635  -0.635
  309   1HB   LEU  37           HB2      LEU  37 -23.815   0.135   0.135
  310   2HB   LEU  37           HB1      LEU  37 -22.450   1.186   1.186
  311    HG   LEU  37           HG       LEU  37 -22.131  -1.676  -1.676
  312   1HD1  LEU  37          HD12      LEU  37 -24.031   0.194   0.194
  313   2HD1  LEU  37          HD11      LEU  37 -23.447  -1.342  -1.342
  314   3HD1  LEU  37          HD13      LEU  37 -24.461  -1.316  -1.316
  315   1HD2  LEU  37          HD22      LEU  37 -21.396   1.045   1.045
  316   2HD2  LEU  37          HD21      LEU  37 -20.353  -0.334  -0.334
  317   3HD2  LEU  37          HD23      LEU  37 -21.373  -0.336  -0.336
  318    H    GLY  38           HN       GLY  38 -20.323  -0.235  -0.235
  319   1HA   GLY  38           HA2      GLY  38 -21.637   2.113   2.113
  320   2HA   GLY  38           HA1      GLY  38 -20.612   0.939   0.939
  321    H    ALA  39           HN       ALA  39 -18.337   0.742   0.742
  322    HA   ALA  39           HA       ALA  39 -17.346   3.436   3.436
  323   1HB   ALA  39           HB3      ALA  39 -16.914   3.194   3.194
  324   2HB   ALA  39           HB2      ALA  39 -16.043   1.691   1.691
  325   3HB   ALA  39           HB1      ALA  39 -15.410   3.221   3.221

  Start of MODEL    2
    1   1H    SER   1           HT2      SER   1  23.514  -1.624  -1.624
    2   2H    SER   1           HT1      SER   1  24.848  -2.676  -2.676
    3   3H    SER   1           HT3      SER   1  24.018  -2.455  -2.455
    4    HA   SER   1           HA       SER   1  26.082  -1.232  -1.232
    5   1HB   SER   1           HB2      SER   1  24.985   0.054   0.054
    6   2HB   SER   1           HB1      SER   1  26.351   0.692   0.692
    7    HG   SER   1           HG       SER   1  27.173  -0.640  -0.640
    8    H    VAL   2           HN       VAL   2  25.889   0.191   0.191
    9    HA   VAL   2           HA       VAL   2  23.314   1.639   1.639
   10    HB   VAL   2           HB       VAL   2  24.263   2.174   2.174
   11   1HG1  VAL   2          HG11      VAL   2  22.616   0.376   0.376
   12   2HG1  VAL   2          HG13      VAL   2  23.943  -0.752  -0.752
   13   3HG1  VAL   2          HG12      VAL   2  23.707  -0.042  -0.042
   14   1HG2  VAL   2          HG23      VAL   2  26.681   1.526   1.526
   15   2HG2  VAL   2          HG22      VAL   2  26.200   1.130   1.130
   16   3HG2  VAL   2          HG21      VAL   2  26.171  -0.114  -0.114
   17    H    SER   3           HN       SER   3  24.032   3.009   3.009
   18    HA   SER   3           HA       SER   3  25.502   5.407   5.407
   19   1HB   SER   3           HB2      SER   3  26.483   5.619   5.619
   20   2HB   SER   3           HB1      SER   3  27.157   4.342   4.342
   21    HG   SER   3           HG       SER   3  25.742   4.186   4.186
   22    H    GLU   4           HN       GLU   4  23.558   4.225   4.225
   23    HA   GLU   4           HA       GLU   4  22.368   6.903   6.903
   24   1HB   GLU   4           HB2      GLU   4  21.066   5.776   5.776
   25   2HB   GLU   4           HB1      GLU   4  22.809   5.840   5.840
   26   1HG   GLU   4           HG2      GLU   4  22.853   3.600   3.600
   27   2HG   GLU   4           HG1      GLU   4  22.211   3.398   3.398
   28    H    ILE   5           HN       ILE   5  21.270   3.638   3.638
   29    HA   ILE   5           HA       ILE   5  19.291   2.895   2.895
   30    HB   ILE   5           HB       ILE   5  19.418   5.555   5.555
   31   1HG1  ILE   5          HG12      ILE   5  20.768   3.578   3.578
   32   2HG1  ILE   5          HG11      ILE   5  21.399   3.413   3.413
   33   1HG2  ILE   5          HG22      ILE   5  18.288   2.819   2.819
   34   2HG2  ILE   5          HG21      ILE   5  18.732   3.904   3.904
   35   3HG2  ILE   5          HG23      ILE   5  17.505   4.391   4.391
   36   1HD1  ILE   5          HD12      ILE   5  21.633   6.003   6.003
   37   2HD1  ILE   5          HD11      ILE   5  21.471   5.822   5.822
   38   3HD1  ILE   5          HD13      ILE   5  22.804   5.038   5.038
   39    H    GLN   6           HN       GLN   6  18.606   3.751   3.751
   40    HA   GLN   6           HA       GLN   6  15.935   4.994   4.994
   41   1HB   GLN   6           HB2      GLN   6  16.303   6.300   6.300
   42   2HB   GLN   6           HB1      GLN   6  17.032   6.933   6.933
   43   1HG   GLN   6           HG2      GLN   6  19.090   6.802   6.802
   44   2HG   GLN   6           HG1      GLN   6  18.870   5.098   5.098
   45   1HE2  GLN   6          HE21      GLN   6  18.571   4.546   4.546
   46   2HE2  GLN   6          HE22      GLN   6  18.331   5.688   5.688
   47    H    LEU   7           HN       LEU   7  18.054   3.294   3.294
   48    HA   LEU   7           HA       LEU   7  15.933   2.431   2.431
   49   1HB   LEU   7           HB2      LEU   7  18.721   2.183   2.183
   50   2HB   LEU   7           HB1      LEU   7  18.162   0.529   0.529
   51    HG   LEU   7           HG       LEU   7  18.442   1.027   1.027
   52   1HD1  LEU   7          HD11      LEU   7  16.515  -0.394  -0.394
   53   2HD1  LEU   7          HD13      LEU   7  15.486   1.037   1.037
   54   3HD1  LEU   7          HD12      LEU   7  16.204   0.521   0.521
   55   1HD2  LEU   7          HD22      LEU   7  16.563   3.355   3.355
   56   2HD2  LEU   7          HD21      LEU   7  18.265   3.455   3.455
   57   3HD2  LEU   7          HD23      LEU   7  17.086   2.819   2.819
   58    H    MET   8           HN       MET   8  17.448   0.925   0.925
   59    HA   MET   8           HA       MET   8  15.991  -1.553  -1.553
   60   1HB   MET   8           HB2      MET   8  18.044  -0.839  -0.839
   61   2HB   MET   8           HB1      MET   8  16.825  -0.217  -0.217
   62   1HG   MET   8           HG2      MET   8  15.747  -2.468  -2.468
   63   2HG   MET   8           HG1      MET   8  17.044  -3.072  -3.072
   64   1HE   MET   8           HE2      MET   8  17.143  -4.890  -4.890
   65   2HE   MET   8           HE1      MET   8  17.686  -4.598  -4.598
   66   3HE   MET   8           HE3      MET   8  16.087  -4.047  -4.047
   67    H    HIS   9           HN       HIS   9  15.256   1.631   1.631
   68    HA   HIS   9           HA       HIS   9  12.850   0.894   0.894
   69   1HB   HIS   9           HB2      HIS   9  14.122   3.062   3.062
   70   2HB   HIS   9           HB1      HIS   9  13.490   3.588   3.588
   71    HD1  HIS   9           HD1      HIS   9  10.869   3.960   3.960
   72    HD2  HIS   9           HD2      HIS   9  12.285   3.204   3.204
   73    HE1  HIS   9           HE1      HIS   9   9.001   4.592   4.592
   74    H    ASN  10           HN       ASN  10  13.399   2.148   2.148
   75    HA   ASN  10           HA       ASN  10  10.549   1.559   1.559
   76   1HB   ASN  10           HB2      ASN  10  12.616   3.157   3.157
   77   2HB   ASN  10           HB1      ASN  10  10.913   2.982   2.982
   78   1HD2  ASN  10          HD21      ASN  10  13.157   4.594   4.594
   79   2HD2  ASN  10          HD22      ASN  10  11.997   5.611   5.611
   80    H    LEU  11           HN       LEU  11  12.037  -0.720  -0.720
   81    HA   LEU  11           HA       LEU  11  12.965  -1.605  -1.605
   82   1HB   LEU  11           HB2      LEU  11  14.210  -1.968  -1.968
   83   2HB   LEU  11           HB1      LEU  11  13.110  -3.336  -3.336
   84    HG   LEU  11           HG       LEU  11  13.908  -3.853  -3.853
   85   1HD1  LEU  11          HD12      LEU  11  16.173  -2.165  -2.165
   86   2HD1  LEU  11          HD11      LEU  11  16.296  -3.191  -3.191
   87   3HD1  LEU  11          HD13      LEU  11  15.205  -1.806  -1.806
   88   1HD2  LEU  11          HD22      LEU  11  15.674  -4.293  -4.293
   89   2HD2  LEU  11          HD21      LEU  11  14.310  -5.303  -5.303
   90   3HD2  LEU  11          HD23      LEU  11  15.751  -5.225  -5.225
   91    H    GLY  12           HN       GLY  12  11.084  -2.061  -2.061
   92   1HA   GLY  12           HA2      GLY  12   9.334  -4.252  -4.252
   93   2HA   GLY  12           HA1      GLY  12   8.619  -2.829  -2.829
   94    H    LYS  13           HN       LYS  13   9.719  -2.328  -2.328
   95    HA   LYS  13           HA       LYS  13  10.060  -2.957  -2.957
   96   1HB   LYS  13           HB2      LYS  13  10.589  -5.766  -5.766
   97   2HB   LYS  13           HB1      LYS  13  10.860  -5.226  -5.226
   98   1HG   LYS  13           HG2      LYS  13  12.915  -4.512  -4.512
   99   2HG   LYS  13           HG1      LYS  13  12.196  -3.376  -3.376
  100   1HD   LYS  13           HD2      LYS  13  12.053  -5.302  -5.302
  101   2HD   LYS  13           HD1      LYS  13  13.038  -6.238  -6.238
  102   1HE   LYS  13           HE2      LYS  13  14.710  -4.292  -4.292
  103   2HE   LYS  13           HE1      LYS  13  13.790  -3.706  -3.706
  104   1HZ   LYS  13           HZ3      LYS  13  14.164  -5.841  -5.841
  105   2HZ   LYS  13           HZ2      LYS  13  15.074  -6.381  -6.381
  106   3HZ   LYS  13           HZ1      LYS  13  15.632  -5.085  -5.085
  107    H    HIS  14           HN       HIS  14   8.508  -5.784  -5.784
  108    HA   HIS  14           HA       HIS  14   6.174  -5.518  -5.518
  109   1HB   HIS  14           HB2      HIS  14   7.362  -7.760  -7.760
  110   2HB   HIS  14           HB1      HIS  14   6.707  -7.702  -7.702
  111    HD1  HIS  14           HD1      HIS  14   4.121  -7.945  -7.945
  112    HD2  HIS  14           HD2      HIS  14   5.447  -8.290  -8.290
  113    HE1  HIS  14           HE1      HIS  14   2.176  -8.872  -8.872
  114    H    LEU  15           HN       LEU  15   7.127  -5.299  -5.299
  115    HA   LEU  15           HA       LEU  15   4.737  -3.755  -3.755
  116   1HB   LEU  15           HB2      LEU  15   4.104  -6.273  -6.273
  117   2HB   LEU  15           HB1      LEU  15   5.024  -6.308  -6.308
  118    HG   LEU  15           HG       LEU  15   2.531  -5.924  -5.924
  119   1HD1  LEU  15          HD13      LEU  15   4.583  -5.028  -5.028
  120   2HD1  LEU  15          HD12      LEU  15   3.869  -3.476  -3.476
  121   3HD1  LEU  15          HD11      LEU  15   2.902  -4.683  -4.683
  122   1HD2  LEU  15          HD21      LEU  15   2.633  -4.275  -4.275
  123   2HD2  LEU  15          HD23      LEU  15   1.502  -3.970  -3.970
  124   3HD2  LEU  15          HD22      LEU  15   3.021  -3.081  -3.081
  125    H    ASN  16           HN       ASN  16   5.248  -2.234  -2.234
  126    HA   ASN  16           HA       ASN  16   6.807  -2.839  -2.839
  127   1HB   ASN  16           HB2      ASN  16   8.692  -2.432  -2.432
  128   2HB   ASN  16           HB1      ASN  16   7.979  -0.979  -0.979
  129   1HD2  ASN  16          HD21      ASN  16   9.596  -2.333  -2.333
  130   2HD2  ASN  16          HD22      ASN  16   9.886  -0.838  -0.838
  131    H    SER  17           HN       SER  17   5.967   0.142   0.142
  132    HA   SER  17           HA       SER  17   4.195   0.991   0.991
  133   1HB   SER  17           HB2      SER  17   5.254   3.314   3.314
  134   2HB   SER  17           HB1      SER  17   6.225   2.071   2.071
  135    HG   SER  17           HG       SER  17   7.596   2.104   2.104
  136    H    MET  18           HN       MET  18   5.526   2.377   2.377
  137    HA   MET  18           HA       MET  18   3.032   3.644   3.644
  138   1HB   MET  18           HB2      MET  18   5.529   4.017   4.017
  139   2HB   MET  18           HB1      MET  18   5.042   2.846   2.846
  140   1HG   MET  18           HG2      MET  18   4.398   4.826   4.826
  141   2HG   MET  18           HG1      MET  18   2.907   4.406   4.406
  142   1HE   MET  18           HE1      MET  18   2.163   6.800   6.800
  143   2HE   MET  18           HE3      MET  18   2.952   8.245   8.245
  144   3HE   MET  18           HE2      MET  18   3.681   7.364   7.364
  145    H    GLU  19           HN       GLU  19   4.315   0.409   0.409
  146    HA   GLU  19           HA       GLU  19   2.355  -0.360  -0.360
  147   1HB   GLU  19           HB2      GLU  19   4.028  -2.188  -2.188
  148   2HB   GLU  19           HB1      GLU  19   3.295  -2.574  -2.574
  149   1HG   GLU  19           HG2      GLU  19   5.263  -1.998  -1.998
  150   2HG   GLU  19           HG1      GLU  19   4.897  -0.328  -0.328
  151    H    ARG  20           HN       ARG  20   2.640  -0.508  -0.508
  152    HA   ARG  20           HA       ARG  20   0.088  -2.019  -2.019
  153   1HB   ARG  20           HB2      ARG  20   0.600  -2.304  -2.304
  154   2HB   ARG  20           HB1      ARG  20   1.874  -2.925  -2.925
  155   1HG   ARG  20           HG2      ARG  20   3.392  -1.475  -1.475
  156   2HG   ARG  20           HG1      ARG  20   2.293  -0.110  -0.110
  157   1HD   ARG  20           HD2      ARG  20   2.507  -0.196  -0.196
  158   2HD   ARG  20           HD1      ARG  20   1.099  -1.235  -1.235
  159    HE   ARG  20           HE       ARG  20   2.993  -3.116  -3.116
  160   1HH1  ARG  20          HH21      ARG  20   5.163  -1.399  -1.399
  161   2HH1  ARG  20          HH22      ARG  20   5.049  -1.563  -1.563
  162   1HH2  ARG  20          HH11      ARG  20   1.809  -2.851  -2.851
  163   2HH2  ARG  20          HH12      ARG  20   3.133  -2.392  -2.392
  164    H    VAL  21           HN       VAL  21   0.044   0.814   0.814
  165    HA   VAL  21           HA       VAL  21  -1.701   1.779   1.779
  166    HB   VAL  21           HB       VAL  21   0.165   3.295   3.295
  167   1HG1  VAL  21          HG12      VAL  21   1.014   2.610   2.610
  168   2HG1  VAL  21          HG11      VAL  21  -0.121   3.767   3.767
  169   3HG1  VAL  21          HG13      VAL  21   1.166   4.320   4.320
  170   1HG2  VAL  21          HG22      VAL  21  -2.160   4.323   4.323
  171   2HG2  VAL  21          HG21      VAL  21  -0.847   5.408   5.408
  172   3HG2  VAL  21          HG23      VAL  21  -1.877   4.699   4.699
  173    H    GLU  22           HN       GLU  22  -1.105   2.129   2.129
  174    HA   GLU  22           HA       GLU  22  -3.879   2.802   2.802
  175   1HB   GLU  22           HB2      GLU  22  -2.107   3.403   3.403
  176   2HB   GLU  22           HB1      GLU  22  -1.725   1.700   1.700
  177   1HG   GLU  22           HG2      GLU  22  -3.142   2.481   2.481
  178   2HG   GLU  22           HG1      GLU  22  -4.037   1.321   1.321
  179    H    TRP  23           HN       TRP  23  -1.970  -0.190  -0.190
  180    HA   TRP  23           HA       TRP  23  -3.692  -2.179  -2.179
  181   1HB   TRP  23           HB2      TRP  23  -1.394  -2.544  -2.544
  182   2HB   TRP  23           HB1      TRP  23  -2.007  -2.227  -2.227
  183    HD1  TRP  23           HD1      TRP  23  -1.025  -4.879  -4.879
  184    HE1  TRP  23           HE1      TRP  23  -1.977  -7.166  -7.166
  185    HE3  TRP  23           HE3      TRP  23  -4.750  -3.415  -3.415
  186    HZ2  TRP  23           HZ2      TRP  23  -4.004  -8.196  -8.196
  187    HZ3  TRP  23           HZ3      TRP  23  -6.174  -5.066  -5.066
  188    HH2  TRP  23           HH2      TRP  23  -5.805  -7.477  -7.477
  189    H    LEU  24           HN       LEU  24  -3.563  -0.786  -0.786
  190    HA   LEU  24           HA       LEU  24  -5.941  -2.138  -2.138
  191   1HB   LEU  24           HB2      LEU  24  -4.188   0.083   0.083
  192   2HB   LEU  24           HB1      LEU  24  -5.509  -0.654  -0.654
  193    HG   LEU  24           HG       LEU  24  -3.333  -1.615  -1.615
  194   1HD1  LEU  24          HD11      LEU  24  -5.459  -3.283  -3.283
  195   2HD1  LEU  24          HD13      LEU  24  -3.932  -4.109  -4.109
  196   3HD1  LEU  24          HD12      LEU  24  -4.792  -3.333  -3.333
  197   1HD2  LEU  24          HD23      LEU  24  -2.281  -1.360  -1.360
  198   2HD2  LEU  24          HD22      LEU  24  -1.845  -2.782  -2.782
  199   3HD2  LEU  24          HD21      LEU  24  -3.025  -2.908  -2.908
  200    H    ARG  25           HN       ARG  25  -5.226   1.143   1.143
  201    HA   ARG  25           HA       ARG  25  -7.756   2.336   2.336
  202   1HB   ARG  25           HB2      ARG  25  -5.572   2.942   2.942
  203   2HB   ARG  25           HB1      ARG  25  -7.120   3.760   3.760
  204   1HG   ARG  25           HG2      ARG  25  -6.810   5.051   5.051
  205   2HG   ARG  25           HG1      ARG  25  -6.125   3.721   3.721
  206   1HD   ARG  25           HD2      ARG  25  -4.251   5.063   5.063
  207   2HD   ARG  25           HD1      ARG  25  -4.084   4.034   4.034
  208    HE   ARG  25           HE       ARG  25  -4.878   6.883   6.883
  209   1HH1  ARG  25          HH21      ARG  25  -2.680   5.548   5.548
  210   2HH1  ARG  25          HH22      ARG  25  -3.416   5.519   5.519
  211   1HH2  ARG  25          HH11      ARG  25  -6.629   6.128   6.128
  212   2HH2  ARG  25          HH12      ARG  25  -5.674   5.849   5.849
  213    H    LYS  26           HN       LYS  26  -6.748   0.238   0.238
  214    HA   LYS  26           HA       LYS  26  -9.500   0.474   0.474
  215   1HB   LYS  26           HB2      LYS  26  -6.937   0.545   0.545
  216   2HB   LYS  26           HB1      LYS  26  -7.669  -0.987  -0.987
  217   1HG   LYS  26           HG2      LYS  26  -8.921   0.118   0.118
  218   2HG   LYS  26           HG1      LYS  26  -9.739   0.937   0.937
  219   1HD   LYS  26           HD2      LYS  26  -7.103   2.092   2.092
  220   2HD   LYS  26           HD1      LYS  26  -8.169   2.153   2.153
  221   1HE   LYS  26           HE2      LYS  26  -8.576   4.171   4.171
  222   2HE   LYS  26           HE1      LYS  26  -9.951   3.124   3.124
  223   1HZ   LYS  26           HZ3      LYS  26  -7.608   3.089   3.089
  224   2HZ   LYS  26           HZ2      LYS  26  -8.758   4.333   4.333
  225   3HZ   LYS  26           HZ1      LYS  26  -9.231   2.717   2.717
  226    H    LYS  27           HN       LYS  27  -9.209  -0.949  -0.949
  227    HA   LYS  27           HA       LYS  27  -9.906  -3.704  -3.704
  228   1HB   LYS  27           HB2      LYS  27  -7.429  -3.026  -3.026
  229   2HB   LYS  27           HB1      LYS  27  -8.402  -3.816  -3.816
  230   1HG   LYS  27           HG2      LYS  27  -7.535  -5.707  -5.707
  231   2HG   LYS  27           HG1      LYS  27  -8.878  -5.474  -5.474
  232   1HD   LYS  27           HD2      LYS  27  -7.191  -3.942  -3.942
  233   2HD   LYS  27           HD1      LYS  27  -5.967  -4.812  -4.812
  234   1HE   LYS  27           HE2      LYS  27  -6.235  -5.976  -5.976
  235   2HE   LYS  27           HE1      LYS  27  -7.006  -6.966  -6.966
  236   1HZ   LYS  27           HZ2      LYS  27  -8.508  -4.988  -4.988
  237   2HZ   LYS  27           HZ1      LYS  27  -8.309  -6.606  -6.606
  238   3HZ   LYS  27           HZ3      LYS  27  -9.137  -6.244  -6.244
  239    H    LEU  28           HN       LEU  28  -9.432  -1.597  -1.597
  240    HA   LEU  28           HA       LEU  28 -11.771  -2.671  -2.671
  241   1HB   LEU  28           HB2      LEU  28 -10.003  -0.267  -0.267
  242   2HB   LEU  28           HB1      LEU  28 -11.291  -0.827  -0.827
  243    HG   LEU  28           HG       LEU  28  -9.509  -3.012  -3.012
  244   1HD1  LEU  28          HD13      LEU  28  -8.321  -0.653  -0.653
  245   2HD1  LEU  28          HD12      LEU  28  -7.576  -2.246  -2.246
  246   3HD1  LEU  28          HD11      LEU  28  -7.806  -1.261  -1.261
  247   1HD2  LEU  28          HD22      LEU  28 -11.169  -3.004  -3.004
  248   2HD2  LEU  28          HD21      LEU  28  -9.541  -3.430  -3.430
  249   3HD2  LEU  28          HD23      LEU  28 -10.172  -1.812  -1.812
  250    H    GLN  29           HN       GLN  29 -11.026   0.309   0.309
  251    HA   GLN  29           HA       GLN  29 -13.456   1.723   1.723
  252   1HB   GLN  29           HB2      GLN  29 -11.610   1.684   1.684
  253   2HB   GLN  29           HB1      GLN  29 -13.045   2.706   2.706
  254   1HG   GLN  29           HG2      GLN  29 -12.154   3.576   3.576
  255   2HG   GLN  29           HG1      GLN  29 -10.629   2.804   2.804
  256   1HE2  GLN  29          HE21      GLN  29 -12.954   5.322   5.322
  257   2HE2  GLN  29          HE22      GLN  29 -11.831   6.158   6.158
  258    H    ASP  30           HN       ASP  30 -12.810  -1.011  -1.011
  259    HA   ASP  30           HA       ASP  30 -15.251  -0.840  -0.840
  260   1HB   ASP  30           HB2      ASP  30 -13.491  -3.247  -3.247
  261   2HB   ASP  30           HB1      ASP  30 -14.743  -3.184  -3.184
  262    H    VAL  31           HN       VAL  31 -14.370  -2.683  -2.683
  263    HA   VAL  31           HA       VAL  31 -17.296  -3.166  -3.166
  264    HB   VAL  31           HB       VAL  31 -14.986  -4.998  -4.998
  265   1HG1  VAL  31          HG13      VAL  31 -17.685  -4.793  -4.793
  266   2HG1  VAL  31          HG12      VAL  31 -17.459  -6.341  -6.341
  267   3HG1  VAL  31          HG11      VAL  31 -16.378  -5.867  -5.867
  268   1HG2  VAL  31          HG21      VAL  31 -17.219  -5.252  -5.252
  269   2HG2  VAL  31          HG23      VAL  31 -15.495  -5.097  -5.097
  270   3HG2  VAL  31          HG22      VAL  31 -16.112  -6.554  -6.554
  271    H    HIS  32           HN       HIS  32 -14.714  -3.859  -3.859
  272    HA   HIS  32           HA       HIS  32 -14.576  -3.226  -3.226
  273   1HB   HIS  32           HB2      HIS  32 -13.357  -1.435  -1.435
  274   2HB   HIS  32           HB1      HIS  32 -14.792  -0.426  -0.426
  275    HD1  HIS  32           HD1      HIS  32 -12.709  -2.540  -2.540
  276    HD2  HIS  32           HD2      HIS  32 -14.475   1.228   1.228
  277    HE1  HIS  32           HE1      HIS  32 -12.183  -1.352  -1.352
  278    H    ASN  33           HN       ASN  33 -17.051  -4.101  -4.101
  279    HA   ASN  33           HA       ASN  33 -19.220  -4.021  -4.021
  280   1HB   ASN  33           HB2      ASN  33 -17.706  -3.191  -3.191
  281   2HB   ASN  33           HB1      ASN  33 -18.566  -1.677  -1.677
  282   1HD2  ASN  33          HD21      ASN  33 -18.809  -4.718  -4.718
  283   2HD2  ASN  33          HD22      ASN  33 -20.475  -4.681  -4.681
  284    H    PHE  34           HN       PHE  34 -19.336  -2.999  -2.999
  285    HA   PHE  34           HA       PHE  34 -20.018  -0.217  -0.217
  286   1HB   PHE  34           HB2      PHE  34 -20.930  -0.820  -0.820
  287   2HB   PHE  34           HB1      PHE  34 -19.346  -1.536  -1.536
  288    HD1  PHE  34           HD2      PHE  34 -23.000  -2.237  -2.237
  289    HD2  PHE  34           HD1      PHE  34 -19.055  -3.928  -3.928
  290    HE1  PHE  34           HE2      PHE  34 -23.942  -4.478  -4.478
  291    HE2  PHE  34           HE1      PHE  34 -19.998  -6.169  -6.169
  292    HZ   PHE  34           HZ       PHE  34 -22.441  -6.444  -6.444
  293    H    VAL  35           HN       VAL  35 -21.938  -3.003  -3.003
  294    HA   VAL  35           HA       VAL  35 -24.545  -1.863  -1.863
  295    HB   VAL  35           HB       VAL  35 -24.079  -4.305  -4.305
  296   1HG1  VAL  35          HG11      VAL  35 -22.503  -3.984  -3.984
  297   2HG1  VAL  35          HG13      VAL  35 -23.880  -3.521  -3.521
  298   3HG1  VAL  35          HG12      VAL  35 -23.783  -5.149  -5.149
  299   1HG2  VAL  35          HG22      VAL  35 -26.357  -3.281  -3.281
  300   2HG2  VAL  35          HG21      VAL  35 -26.131  -4.721  -4.721
  301   3HG2  VAL  35          HG23      VAL  35 -26.065  -3.121  -3.121
  302    H    ALA  36           HN       ALA  36 -22.221  -1.545  -1.545
  303    HA   ALA  36           HA       ALA  36 -23.946   0.595   0.595
  304   1HB   ALA  36           HB3      ALA  36 -24.300  -1.595  -1.595
  305   2HB   ALA  36           HB2      ALA  36 -22.610  -1.509  -1.509
  306   3HB   ALA  36           HB1      ALA  36 -23.743  -0.260  -0.260
  307    H    LEU  37           HN       LEU  37 -22.549   2.224   2.224
  308    HA   LEU  37           HA       LEU  37 -19.651   2.047   2.047
  309   1HB   LEU  37           HB2      LEU  37 -21.082   3.404   3.404
  310   2HB   LEU  37           HB1      LEU  37 -21.018   4.658   4.658
  311    HG   LEU  37           HG       LEU  37 -18.461   3.255   3.255
  312   1HD1  LEU  37          HD13      LEU  37 -19.751   5.365   5.365
  313   2HD1  LEU  37          HD12      LEU  37 -18.083   4.809   4.809
  314   3HD1  LEU  37          HD11      LEU  37 -19.412   3.696   3.696
  315   1HD2  LEU  37          HD21      LEU  37 -19.325   6.050   6.050
  316   2HD2  LEU  37          HD23      LEU  37 -18.326   4.921   4.921
  317   3HD2  LEU  37          HD22      LEU  37 -17.682   5.692   5.692
  318    H    GLY  38           HN       GLY  38 -18.655   2.495   2.495
  319   1HA   GLY  38           HA2      GLY  38 -20.134   4.012   4.012
  320   2HA   GLY  38           HA1      GLY  38 -18.769   2.935   2.935
  321    H    ALA  39           HN       ALA  39 -19.450   5.902   5.902
  322    HA   ALA  39           HA       ALA  39 -17.287   7.370   7.370
  323   1HB   ALA  39           HB3      ALA  39 -16.178   5.874   5.874
  324   2HB   ALA  39           HB2      ALA  39 -16.942   6.946   6.946
  325   3HB   ALA  39           HB1      ALA  39 -15.782   7.592   7.592

  Start of MODEL    3
    1   1H    SER   1           HT1      SER   1  20.512 -12.150 -12.150
    2   2H    SER   1           HT3      SER   1  20.668 -10.724 -10.724
    3   3H    SER   1           HT2      SER   1  19.275 -11.682 -11.682
    4    HA   SER   1           HA       SER   1  18.751  -9.766  -9.766
    5   1HB   SER   1           HB2      SER   1  21.091 -10.728 -10.728
    6   2HB   SER   1           HB1      SER   1  19.907  -9.564  -9.564
    7    HG   SER   1           HG       SER   1  21.168  -8.176  -8.176
    8    H    VAL   2           HN       VAL   2  16.934 -10.141 -10.141
    9    HA   VAL   2           HA       VAL   2  15.354 -11.147 -11.147
   10    HB   VAL   2           HB       VAL   2  17.489 -13.151 -13.151
   11   1HG1  VAL   2          HG11      VAL   2  14.838 -12.325 -12.325
   12   2HG1  VAL   2          HG13      VAL   2  16.034 -13.334 -13.334
   13   3HG1  VAL   2          HG12      VAL   2  15.253 -13.909 -13.909
   14   1HG2  VAL   2          HG23      VAL   2  16.720 -10.447 -10.447
   15   2HG2  VAL   2          HG22      VAL   2  18.305 -10.944 -10.944
   16   3HG2  VAL   2          HG21      VAL   2  17.658 -11.645 -11.645
   17    H    SER   3           HN       SER   3  17.331 -13.766 -13.766
   18    HA   SER   3           HA       SER   3  15.287 -15.667 -15.667
   19   1HB   SER   3           HB2      SER   3  16.668 -16.486 -16.486
   20   2HB   SER   3           HB1      SER   3  17.536 -16.323 -16.323
   21    HG   SER   3           HG       SER   3  17.914 -15.039 -15.039
   22    H    GLU   4           HN       GLU   4  16.205 -13.115 -13.115
   23    HA   GLU   4           HA       GLU   4  14.243 -13.838 -13.838
   24   1HB   GLU   4           HB2      GLU   4  14.815 -11.870 -11.870
   25   2HB   GLU   4           HB1      GLU   4  16.287 -12.315 -12.315
   26   1HG   GLU   4           HG2      GLU   4  14.305 -10.254 -10.254
   27   2HG   GLU   4           HG1      GLU   4  15.725  -9.849  -9.849
   28    H    ILE   5           HN       ILE   5  13.957 -11.673 -11.673
   29    HA   ILE   5           HA       ILE   5  11.250 -10.848 -10.848
   30    HB   ILE   5           HB       ILE   5  12.847  -9.296  -9.296
   31   1HG1  ILE   5          HG12      ILE   5  11.055  -8.476  -8.476
   32   2HG1  ILE   5          HG11      ILE   5  10.092  -9.852  -9.852
   33   1HG2  ILE   5          HG21      ILE   5  12.225 -11.110 -11.110
   34   2HG2  ILE   5          HG23      ILE   5  12.922  -9.497  -9.497
   35   3HG2  ILE   5          HG22      ILE   5  13.808 -10.762 -10.762
   36   1HD1  ILE   5          HD12      ILE   5  11.225  -7.715  -7.715
   37   2HD1  ILE   5          HD11      ILE   5   9.553  -7.788  -7.788
   38   3HD1  ILE   5          HD13      ILE   5  10.190  -9.059  -9.059
   39    H    GLN   6           HN       GLN   6  12.647 -13.423 -13.423
   40    HA   GLN   6           HA       GLN   6  10.405 -14.005 -14.005
   41   1HB   GLN   6           HB2      GLN   6  12.650 -15.710 -15.710
   42   2HB   GLN   6           HB1      GLN   6  11.390 -16.400 -16.400
   43   1HG   GLN   6           HG2      GLN   6  12.664 -13.906 -13.906
   44   2HG   GLN   6           HG1      GLN   6  13.684 -15.343 -15.343
   45   1HE2  GLN   6          HE21      GLN   6  10.683 -13.986 -13.986
   46   2HE2  GLN   6          HE22      GLN   6  10.532 -15.155 -15.155
   47    H    LEU   7           HN       LEU   7  11.344 -15.323 -15.323
   48    HA   LEU   7           HA       LEU   7   8.887 -16.827 -16.827
   49   1HB   LEU   7           HB2      LEU   7   9.587 -17.000 -17.000
   50   2HB   LEU   7           HB1      LEU   7  10.857 -17.482 -17.482
   51    HG   LEU   7           HG       LEU   7  11.327 -14.757 -14.757
   52   1HD1  LEU   7          HD13      LEU   7   9.690 -14.719 -14.719
   53   2HD1  LEU   7          HD12      LEU   7  10.610 -15.983 -15.983
   54   3HD1  LEU   7          HD11      LEU   7  11.329 -14.393 -14.393
   55   1HD2  LEU   7          HD21      LEU   7  12.983 -16.617 -16.617
   56   2HD2  LEU   7          HD23      LEU   7  13.289 -15.494 -15.494
   57   3HD2  LEU   7          HD22      LEU   7  12.526 -17.051 -17.051
   58    H    MET   8           HN       MET   8   9.902 -13.510 -13.510
   59    HA   MET   8           HA       MET   8   7.651 -12.807 -12.807
   60   1HB   MET   8           HB2      MET   8   9.939 -11.547 -11.547
   61   2HB   MET   8           HB1      MET   8   8.984 -10.771 -10.771
   62   1HG   MET   8           HG2      MET   8   8.306  -9.338  -9.338
   63   2HG   MET   8           HG1      MET   8   7.296 -10.662 -10.662
   64   1HE   MET   8           HE3      MET   8   7.618 -12.034 -12.034
   65   2HE   MET   8           HE2      MET   8   9.053 -12.800 -12.800
   66   3HE   MET   8           HE1      MET   8   9.082 -12.201 -12.201
   67    H    HIS   9           HN       HIS   9   8.132 -12.878 -12.878
   68    HA   HIS   9           HA       HIS   9   5.901 -11.351 -11.351
   69   1HB   HIS   9           HB2      HIS   9   7.878 -12.655 -12.655
   70   2HB   HIS   9           HB1      HIS   9   6.597 -13.844 -13.844
   71    HD1  HIS   9           HD1      HIS   9   7.974 -11.025 -11.025
   72    HD2  HIS   9           HD2      HIS   9   4.070 -12.325 -12.325
   73    HE1  HIS   9           HE1      HIS   9   6.528  -9.869  -9.869
   74    H    ASN  10           HN       ASN  10   6.079 -14.748 -14.748
   75    HA   ASN  10           HA       ASN  10   3.189 -15.167 -15.167
   76   1HB   ASN  10           HB2      ASN  10   5.273 -17.054 -17.054
   77   2HB   ASN  10           HB1      ASN  10   3.632 -17.496 -17.496
   78   1HD2  ASN  10          HD21      ASN  10   6.844 -16.677 -16.677
   79   2HD2  ASN  10          HD22      ASN  10   6.498 -17.082 -17.082
   80    H    LEU  11           HN       LEU  11   3.414 -13.154 -13.154
   81    HA   LEU  11           HA       LEU  11   1.953 -14.015 -14.015
   82   1HB   LEU  11           HB2      LEU  11   4.812 -14.237 -14.237
   83   2HB   LEU  11           HB1      LEU  11   4.269 -12.913 -12.913
   84    HG   LEU  11           HG       LEU  11   2.712 -15.476 -15.476
   85   1HD1  LEU  11          HD13      LEU  11   5.344 -15.020 -15.020
   86   2HD1  LEU  11          HD12      LEU  11   4.229 -16.348 -16.348
   87   3HD1  LEU  11          HD11      LEU  11   5.032 -16.234 -16.234
   88   1HD2  LEU  11          HD23      LEU  11   1.987 -13.442 -13.442
   89   2HD2  LEU  11          HD22      LEU  11   2.344 -14.796 -14.796
   90   3HD2  LEU  11          HD21      LEU  11   3.506 -13.482 -13.482
   91    H    GLY  12           HN       GLY  12   4.416 -11.555 -11.555
   92   1HA   GLY  12           HA2      GLY  12   2.479  -9.401  -9.401
   93   2HA   GLY  12           HA1      GLY  12   3.420  -9.286  -9.286
   94    H    LYS  13           HN       LYS  13   3.577  -9.140  -9.140
   95    HA   LYS  13           HA       LYS  13   6.405  -8.999  -8.999
   96   1HB   LYS  13           HB2      LYS  13   4.381  -9.129  -9.129
   97   2HB   LYS  13           HB1      LYS  13   4.608  -7.383  -7.383
   98   1HG   LYS  13           HG2      LYS  13   6.894  -9.342  -9.342
   99   2HG   LYS  13           HG1      LYS  13   5.928  -8.746  -8.746
  100   1HD   LYS  13           HD2      LYS  13   7.434  -6.950  -6.950
  101   2HD   LYS  13           HD1      LYS  13   8.057  -7.456  -7.456
  102   1HE   LYS  13           HE2      LYS  13   6.762  -5.969  -5.969
  103   2HE   LYS  13           HE1      LYS  13   5.341  -6.325  -6.325
  104   1HZ   LYS  13           HZ2      LYS  13   7.622  -4.657  -4.657
  105   2HZ   LYS  13           HZ1      LYS  13   6.190  -4.031  -4.031
  106   3HZ   LYS  13           HZ3      LYS  13   6.136  -4.894  -4.894
  107    H    HIS  14           HN       HIS  14   7.465  -7.644  -7.644
  108    HA   HIS  14           HA       HIS  14   8.198  -5.694  -5.694
  109   1HB   HIS  14           HB2      HIS  14   8.732  -5.449  -5.449
  110   2HB   HIS  14           HB1      HIS  14   7.473  -4.217  -4.217
  111    HD1  HIS  14           HD1      HIS  14   8.119  -1.952  -1.952
  112    HD2  HIS  14           HD2      HIS  14  10.909  -4.872  -4.872
  113    HE1  HIS  14           HE1      HIS  14  10.045  -0.743  -0.743
  114    H    LEU  15           HN       LEU  15   5.472  -6.255  -6.255
  115    HA   LEU  15           HA       LEU  15   4.126  -3.606  -3.606
  116   1HB   LEU  15           HB2      LEU  15   3.186  -6.398  -6.398
  117   2HB   LEU  15           HB1      LEU  15   2.235  -4.993  -4.993
  118    HG   LEU  15           HG       LEU  15   3.187  -5.489  -5.489
  119   1HD1  LEU  15          HD12      LEU  15   0.493  -6.039  -6.039
  120   2HD1  LEU  15          HD11      LEU  15   0.844  -6.140  -6.140
  121   3HD1  LEU  15          HD13      LEU  15   1.628  -7.249  -7.249
  122   1HD2  LEU  15          HD21      LEU  15   2.514  -3.119  -3.119
  123   2HD2  LEU  15          HD23      LEU  15   1.908  -3.633  -3.633
  124   3HD2  LEU  15          HD22      LEU  15   0.875  -3.744  -3.744
  125    H    ASN  16           HN       ASN  16   5.893  -2.828  -2.828
  126    HA   ASN  16           HA       ASN  16   5.641  -3.529  -3.529
  127   1HB   ASN  16           HB2      ASN  16   7.823  -1.857  -1.857
  128   2HB   ASN  16           HB1      ASN  16   7.843  -2.603  -2.603
  129   1HD2  ASN  16          HD21      ASN  16   7.919  -5.070  -5.070
  130   2HD2  ASN  16          HD22      ASN  16   8.636  -5.875  -5.875
  131    H    SER  17           HN       SER  17   5.929  -0.700  -0.700
  132    HA   SER  17           HA       SER  17   3.911   0.755   0.755
  133   1HB   SER  17           HB2      SER  17   6.702   1.180   1.180
  134   2HB   SER  17           HB1      SER  17   6.043   2.640   2.640
  135    HG   SER  17           HG       SER  17   5.769   1.984   1.984
  136    H    MET  18           HN       MET  18   3.132   2.609   2.609
  137    HA   MET  18           HA       MET  18   2.660   3.919   3.919
  138   1HB   MET  18           HB2      MET  18   5.354   3.908   3.908
  139   2HB   MET  18           HB1      MET  18   5.000   2.962   2.962
  140   1HG   MET  18           HG2      MET  18   4.782   5.002   5.002
  141   2HG   MET  18           HG1      MET  18   3.179   4.985   4.985
  142   1HE   MET  18           HE3      MET  18   2.377   6.995   6.995
  143   2HE   MET  18           HE2      MET  18   2.631   6.015   6.015
  144   3HE   MET  18           HE1      MET  18   3.066   7.722   7.722
  145    H    GLU  19           HN       GLU  19   4.268   0.952   0.952
  146    HA   GLU  19           HA       GLU  19   2.352   0.370   0.370
  147   1HB   GLU  19           HB2      GLU  19   4.414  -1.228  -1.228
  148   2HB   GLU  19           HB1      GLU  19   3.255  -2.068  -2.068
  149   1HG   GLU  19           HG2      GLU  19   3.929  -0.385  -0.385
  150   2HG   GLU  19           HG1      GLU  19   5.310  -0.013  -0.013
  151    H    ARG  20           HN       ARG  20   2.452  -0.505  -0.505
  152    HA   ARG  20           HA       ARG  20  -0.091  -1.997  -1.997
  153   1HB   ARG  20           HB2      ARG  20   0.351  -2.859  -2.859
  154   2HB   ARG  20           HB1      ARG  20   1.651  -3.231  -3.231
  155   1HG   ARG  20           HG2      ARG  20   3.132  -2.140  -2.140
  156   2HG   ARG  20           HG1      ARG  20   2.150  -0.679  -0.679
  157   1HD   ARG  20           HD2      ARG  20   1.095  -2.850  -2.850
  158   2HD   ARG  20           HD1      ARG  20   2.632  -2.172  -2.172
  159    HE   ARG  20           HE       ARG  20   0.084  -0.649  -0.649
  160   1HH1  ARG  20          HH11      ARG  20   1.357  -0.949  -0.949
  161   2HH1  ARG  20          HH12      ARG  20   2.248   0.525   0.525
  162   1HH2  ARG  20          HH21      ARG  20   2.113   1.296   1.296
  163   2HH2  ARG  20          HH22      ARG  20   2.685   1.806   1.806
  164    H    VAL  21           HN       VAL  21   1.045   0.946   0.946
  165    HA   VAL  21           HA       VAL  21  -1.259   1.266   1.266
  166    HB   VAL  21           HB       VAL  21   0.761   2.690   2.690
  167   1HG1  VAL  21          HG11      VAL  21   1.038   2.826   2.826
  168   2HG1  VAL  21          HG13      VAL  21  -0.094   4.169   4.169
  169   3HG1  VAL  21          HG12      VAL  21   1.441   4.257   4.257
  170   1HG2  VAL  21          HG22      VAL  21  -1.475   3.525   3.525
  171   2HG2  VAL  21          HG21      VAL  21  -0.348   4.816   4.816
  172   3HG2  VAL  21          HG23      VAL  21  -1.642   4.383   4.383
  173    H    GLU  22           HN       GLU  22  -0.645   2.243   2.243
  174    HA   GLU  22           HA       GLU  22  -3.300   3.364   3.364
  175   1HB   GLU  22           HB2      GLU  22  -1.046   2.497   2.497
  176   2HB   GLU  22           HB1      GLU  22  -2.608   2.981   2.981
  177   1HG   GLU  22           HG2      GLU  22  -1.970   5.134   5.134
  178   2HG   GLU  22           HG1      GLU  22  -1.900   4.964   4.964
  179    H    TRP  23           HN       TRP  23  -1.770   0.163   0.163
  180    HA   TRP  23           HA       TRP  23  -3.931  -1.104  -1.104
  181   1HB   TRP  23           HB2      TRP  23  -2.324  -2.689  -2.689
  182   2HB   TRP  23           HB1      TRP  23  -1.369  -1.839  -1.839
  183    HD1  TRP  23           HD1      TRP  23  -0.518  -3.592  -3.592
  184    HE1  TRP  23           HE1      TRP  23  -1.520  -5.605  -5.605
  185    HE3  TRP  23           HE3      TRP  23  -5.110  -3.592  -3.592
  186    HZ2  TRP  23           HZ2      TRP  23  -3.969  -7.051  -7.051
  187    HZ3  TRP  23           HZ3      TRP  23  -6.801  -5.283  -5.283
  188    HH2  TRP  23           HH2      TRP  23  -6.232  -7.026  -7.026
  189    H    LEU  24           HN       LEU  24  -3.231  -0.788  -0.788
  190    HA   LEU  24           HA       LEU  24  -5.493  -2.207  -2.207
  191   1HB   LEU  24           HB2      LEU  24  -3.508  -0.304  -0.304
  192   2HB   LEU  24           HB1      LEU  24  -5.050  -0.298  -0.298
  193    HG   LEU  24           HG       LEU  24  -3.322  -1.934  -1.934
  194   1HD1  LEU  24          HD11      LEU  24  -6.022  -2.903  -2.903
  195   2HD1  LEU  24          HD13      LEU  24  -5.021  -3.829  -3.829
  196   3HD1  LEU  24          HD12      LEU  24  -5.635  -2.244  -2.244
  197   1HD2  LEU  24          HD22      LEU  24  -2.546  -2.663  -2.663
  198   2HD2  LEU  24          HD21      LEU  24  -2.899  -3.987  -3.987
  199   3HD2  LEU  24          HD23      LEU  24  -4.058  -3.554  -3.554
  200    H    ARG  25           HN       ARG  25  -5.303   1.102   1.102
  201    HA   ARG  25           HA       ARG  25  -7.793   2.087   2.087
  202   1HB   ARG  25           HB2      ARG  25  -5.959   2.869   2.869
  203   2HB   ARG  25           HB1      ARG  25  -7.645   3.295   3.295
  204   1HG   ARG  25           HG2      ARG  25  -6.932   5.164   5.164
  205   2HG   ARG  25           HG1      ARG  25  -7.507   4.160   4.160
  206   1HD   ARG  25           HD2      ARG  25  -4.816   3.397   3.397
  207   2HD   ARG  25           HD1      ARG  25  -4.853   5.155   5.155
  208    HE   ARG  25           HE       ARG  25  -5.468   5.038   5.038
  209   1HH1  ARG  25          HH11      ARG  25  -7.522   2.931   2.931
  210   2HH1  ARG  25          HH12      ARG  25  -6.731   1.607   1.607
  211   1HH2  ARG  25          HH21      ARG  25  -3.534   2.922   2.922
  212   2HH2  ARG  25          HH22      ARG  25  -4.456   1.611   1.611
  213    H    LYS  26           HN       LYS  26  -6.981   0.329   0.329
  214    HA   LYS  26           HA       LYS  26  -9.708   0.071   0.071
  215   1HB   LYS  26           HB2      LYS  26  -7.718  -0.157  -0.157
  216   2HB   LYS  26           HB1      LYS  26  -7.274  -1.634  -1.634
  217   1HG   LYS  26           HG2      LYS  26  -8.446  -2.263  -2.263
  218   2HG   LYS  26           HG1      LYS  26  -9.505  -2.607  -2.607
  219   1HD   LYS  26           HD2      LYS  26 -10.099   0.050   0.050
  220   2HD   LYS  26           HD1      LYS  26  -9.910  -0.777  -0.777
  221   1HE   LYS  26           HE2      LYS  26 -11.478  -2.541  -2.541
  222   2HE   LYS  26           HE1      LYS  26 -11.702  -1.659  -1.659
  223   1HZ   LYS  26           HZ1      LYS  26 -12.524   0.234   0.234
  224   2HZ   LYS  26           HZ3      LYS  26 -12.368  -0.676  -0.676
  225   3HZ   LYS  26           HZ2      LYS  26 -13.473  -1.157  -1.157
  226    H    LYS  27           HN       LYS  27  -7.565  -1.916  -1.916
  227    HA   LYS  27           HA       LYS  27  -9.113  -4.286  -4.286
  228   1HB   LYS  27           HB2      LYS  27  -6.766  -3.768  -3.768
  229   2HB   LYS  27           HB1      LYS  27  -7.607  -3.043  -3.043
  230   1HG   LYS  27           HG2      LYS  27  -8.854  -5.230  -5.230
  231   2HG   LYS  27           HG1      LYS  27  -7.780  -5.923  -5.923
  232   1HD   LYS  27           HD2      LYS  27  -5.908  -4.850  -4.850
  233   2HD   LYS  27           HD1      LYS  27  -7.167  -5.036  -5.036
  234   1HE   LYS  27           HE2      LYS  27  -6.217  -7.285  -7.285
  235   2HE   LYS  27           HE1      LYS  27  -5.591  -6.998  -6.998
  236   1HZ   LYS  27           HZ2      LYS  27  -7.890  -7.210  -7.210
  237   2HZ   LYS  27           HZ1      LYS  27  -8.410  -7.626  -7.626
  238   3HZ   LYS  27           HZ3      LYS  27  -7.324  -8.632  -8.632
  239    H    LEU  28           HN       LEU  28  -9.371  -1.214  -1.214
  240    HA   LEU  28           HA       LEU  28 -11.460  -2.182  -2.182
  241   1HB   LEU  28           HB2      LEU  28 -10.076   0.384   0.384
  242   2HB   LEU  28           HB1      LEU  28 -11.754   0.564   0.564
  243    HG   LEU  28           HG       LEU  28 -10.223   0.569   0.569
  244   1HD1  LEU  28          HD12      LEU  28 -12.584  -0.445  -0.445
  245   2HD1  LEU  28          HD11      LEU  28 -11.784  -2.017  -2.017
  246   3HD1  LEU  28          HD13      LEU  28 -11.494  -0.884  -0.884
  247   1HD2  LEU  28          HD21      LEU  28  -8.531  -0.987  -0.987
  248   2HD2  LEU  28          HD23      LEU  28  -8.899  -1.343  -1.343
  249   3HD2  LEU  28          HD22      LEU  28  -9.613  -2.320  -2.320
  250    H    GLN  29           HN       GLN  29 -11.598   0.115   0.115
  251    HA   GLN  29           HA       GLN  29 -14.455   0.250   0.250
  252   1HB   GLN  29           HB2      GLN  29 -14.206   1.263   1.263
  253   2HB   GLN  29           HB1      GLN  29 -12.987   1.907   1.907
  254   1HG   GLN  29           HG2      GLN  29 -11.411   0.109   0.109
  255   2HG   GLN  29           HG1      GLN  29 -12.612  -0.154  -0.154
  256   1HE2  GLN  29          HE21      GLN  29 -10.644   2.512   2.512
  257   2HE2  GLN  29          HE22      GLN  29 -10.513   3.385   3.385
  258    H    ASP  30           HN       ASP  30 -12.367  -2.323  -2.323
  259    HA   ASP  30           HA       ASP  30 -14.557  -3.412  -3.412
  260   1HB   ASP  30           HB2      ASP  30 -11.936  -3.279  -3.279
  261   2HB   ASP  30           HB1      ASP  30 -11.940  -4.832  -4.832
  262    H    VAL  31           HN       VAL  31 -12.253  -4.723  -4.723
  263    HA   VAL  31           HA       VAL  31 -13.845  -7.079  -7.079
  264    HB   VAL  31           HB       VAL  31 -11.770  -5.837  -5.837
  265   1HG1  VAL  31          HG13      VAL  31 -12.933  -8.625  -8.625
  266   2HG1  VAL  31          HG12      VAL  31 -11.486  -8.258  -8.258
  267   3HG1  VAL  31          HG11      VAL  31 -13.037  -7.549  -7.549
  268   1HG2  VAL  31          HG21      VAL  31 -11.485  -7.740  -7.740
  269   2HG2  VAL  31          HG23      VAL  31 -10.700  -6.175  -6.175
  270   3HG2  VAL  31          HG22      VAL  31 -10.236  -7.537  -7.537
  271    H    HIS  32           HN       HIS  32 -13.414  -4.086  -4.086
  272    HA   HIS  32           HA       HIS  32 -15.444  -4.834  -4.834
  273   1HB   HIS  32           HB2      HIS  32 -13.569  -3.128  -3.128
  274   2HB   HIS  32           HB1      HIS  32 -14.533  -2.002  -2.002
  275    HD1  HIS  32           HD1      HIS  32 -16.713  -1.093  -1.093
  276    HD2  HIS  32           HD2      HIS  32 -14.656  -3.718  -3.718
  277    HE1  HIS  32           HE1      HIS  32 -17.787  -0.895  -0.895
  278    H    ASN  33           HN       ASN  33 -15.515  -2.728  -2.728
  279    HA   ASN  33           HA       ASN  33 -18.491  -2.564  -2.564
  280   1HB   ASN  33           HB2      ASN  33 -16.641  -0.742  -0.742
  281   2HB   ASN  33           HB1      ASN  33 -18.374  -0.521  -0.521
  282   1HD2  ASN  33          HD21      ASN  33 -19.129  -0.052  -0.052
  283   2HD2  ASN  33          HD22      ASN  33 -18.044   0.651   0.651
  284    H    PHE  34           HN       PHE  34 -17.958  -4.942  -4.942
  285    HA   PHE  34           HA       PHE  34 -17.647  -4.931  -4.931
  286   1HB   PHE  34           HB2      PHE  34 -16.849  -6.794  -6.794
  287   2HB   PHE  34           HB1      PHE  34 -18.525  -7.330  -7.330
  288    HD1  PHE  34           HD1      PHE  34 -15.462  -6.826  -6.826
  289    HD2  PHE  34           HD2      PHE  34 -19.494  -8.310  -8.310
  290    HE1  PHE  34           HE1      PHE  34 -15.058  -7.958  -7.958
  291    HE2  PHE  34           HE2      PHE  34 -19.087  -9.445  -9.445
  292    HZ   PHE  34           HZ       PHE  34 -16.868  -9.270  -9.270
  293    H    VAL  35           HN       VAL  35 -20.230  -6.092  -6.092
  294    HA   VAL  35           HA       VAL  35 -22.222  -5.537  -5.537
  295    HB   VAL  35           HB       VAL  35 -22.031  -7.917  -7.917
  296   1HG1  VAL  35          HG11      VAL  35 -21.608  -7.315  -7.315
  297   2HG1  VAL  35          HG13      VAL  35 -23.318  -6.902  -6.902
  298   3HG1  VAL  35          HG12      VAL  35 -22.833  -8.556  -8.556
  299   1HG2  VAL  35          HG21      VAL  35 -24.105  -7.039  -7.039
  300   2HG2  VAL  35          HG23      VAL  35 -24.456  -8.268  -8.268
  301   3HG2  VAL  35          HG22      VAL  35 -24.686  -6.560  -6.560
  302    H    ALA  36           HN       ALA  36 -21.527  -4.981  -4.981
  303    HA   ALA  36           HA       ALA  36 -22.233  -3.303  -3.303
  304   1HB   ALA  36           HB1      ALA  36 -22.351  -1.933  -1.933
  305   2HB   ALA  36           HB3      ALA  36 -24.092  -2.100  -2.100
  306   3HB   ALA  36           HB2      ALA  36 -23.120  -1.305  -1.305
  307    H    LEU  37           HN       LEU  37 -25.110  -4.049  -4.049
  308    HA   LEU  37           HA       LEU  37 -26.418  -5.232  -5.232
  309   1HB   LEU  37           HB2      LEU  37 -28.590  -4.047  -4.047
  310   2HB   LEU  37           HB1      LEU  37 -27.389  -3.092  -3.092
  311    HG   LEU  37           HG       LEU  37 -26.903  -2.997  -2.997
  312   1HD1  LEU  37          HD13      LEU  37 -29.372  -3.404  -3.404
  313   2HD1  LEU  37          HD12      LEU  37 -29.594  -1.965  -1.965
  314   3HD1  LEU  37          HD11      LEU  37 -28.913  -1.820  -1.820
  315   1HD2  LEU  37          HD22      LEU  37 -26.049  -1.400  -1.400
  316   2HD2  LEU  37          HD21      LEU  37 -26.959  -0.585  -0.585
  317   3HD2  LEU  37          HD23      LEU  37 -27.703  -0.864  -0.864
  318    H    GLY  38           HN       GLY  38 -26.668  -4.771  -4.771
  319   1HA   GLY  38           HA2      GLY  38 -27.126  -6.422  -6.422
  320   2HA   GLY  38           HA1      GLY  38 -27.323  -7.604  -7.604
  321    H    ALA  39           HN       ALA  39 -28.986  -4.532  -4.532
  322    HA   ALA  39           HA       ALA  39 -31.521  -5.921  -5.921
  323   1HB   ALA  39           HB3      ALA  39 -31.405  -5.748  -5.748
  324   2HB   ALA  39           HB2      ALA  39 -31.362  -3.994  -3.994
  325   3HB   ALA  39           HB1      ALA  39 -32.779  -4.899  -4.899

  Start of MODEL    4
    1   1H    SER   1           HT2      SER   1  19.230   1.878   1.878
    2   2H    SER   1           HT1      SER   1  18.079   2.542   2.542
    3   3H    SER   1           HT3      SER   1  19.709   2.992   2.992
    4    HA   SER   1           HA       SER   1  18.445   4.750   4.750
    5   1HB   SER   1           HB2      SER   1  17.696   2.488   2.488
    6   2HB   SER   1           HB1      SER   1  17.593   4.171   4.171
    7    HG   SER   1           HG       SER   1  15.626   3.546   3.546
    8    H    VAL   2           HN       VAL   2  19.686   6.117   6.117
    9    HA   VAL   2           HA       VAL   2  22.347   5.210   5.210
   10    HB   VAL   2           HB       VAL   2  22.680   7.512   7.512
   11   1HG1  VAL   2          HG12      VAL   2  23.014   6.983   6.983
   12   2HG1  VAL   2          HG11      VAL   2  21.350   7.477   7.477
   13   3HG1  VAL   2          HG13      VAL   2  22.526   8.657   8.657
   14   1HG2  VAL   2          HG21      VAL   2  19.785   7.941   7.941
   15   2HG2  VAL   2          HG23      VAL   2  20.394   7.960   7.960
   16   3HG2  VAL   2          HG22      VAL   2  20.899   9.205   9.205
   17    H    SER   3           HN       SER   3  19.359   5.851   5.851
   18    HA   SER   3           HA       SER   3  20.755   4.906   4.906
   19   1HB   SER   3           HB2      SER   3  19.661   7.261   7.261
   20   2HB   SER   3           HB1      SER   3  18.128   6.398   6.398
   21    HG   SER   3           HG       SER   3  20.187   6.573   6.573
   22    H    GLU   4           HN       GLU   4  18.948   3.891   3.891
   23    HA   GLU   4           HA       GLU   4  17.898   1.524   1.524
   24   1HB   GLU   4           HB2      GLU   4  18.894   1.656   1.656
   25   2HB   GLU   4           HB1      GLU   4  17.344   2.338   2.338
   26   1HG   GLU   4           HG2      GLU   4  16.828   0.009   0.009
   27   2HG   GLU   4           HG1      GLU   4  18.022  -0.419  -0.419
   28    H    ILE   5           HN       ILE   5  16.582   4.661   4.661
   29    HA   ILE   5           HA       ILE   5  14.529   5.608   5.608
   30    HB   ILE   5           HB       ILE   5  13.452   2.839   2.839
   31   1HG1  ILE   5          HG12      ILE   5  15.365   3.156   3.156
   32   2HG1  ILE   5          HG11      ILE   5  13.908   3.433   3.433
   33   1HG2  ILE   5          HG23      ILE   5  12.566   5.638   5.638
   34   2HG2  ILE   5          HG22      ILE   5  11.901   4.182   4.182
   35   3HG2  ILE   5          HG21      ILE   5  11.708   4.459   4.459
   36   1HD1  ILE   5          HD11      ILE   5  14.241   5.937   5.937
   37   2HD1  ILE   5          HD13      ILE   5  15.868   5.477   5.477
   38   3HD1  ILE   5          HD12      ILE   5  15.353   5.215   5.215
   39    H    GLN   6           HN       GLN   6  14.036   2.446   2.446
   40    HA   GLN   6           HA       GLN   6  13.063   1.887   1.887
   41   1HB   GLN   6           HB2      GLN   6  14.027   4.654   4.654
   42   2HB   GLN   6           HB1      GLN   6  12.851   4.020   4.020
   43   1HG   GLN   6           HG2      GLN   6  15.253   2.384   2.384
   44   2HG   GLN   6           HG1      GLN   6  15.366   3.577   3.577
   45   1HE2  GLN   6          HE21      GLN   6  14.284   0.355   0.355
   46   2HE2  GLN   6          HE22      GLN   6  13.566   0.026   0.026
   47    H    LEU   7           HN       LEU   7  11.635   5.185   5.185
   48    HA   LEU   7           HA       LEU   7   9.036   4.383   4.383
   49   1HB   LEU   7           HB2      LEU   7  10.219   6.799   6.799
   50   2HB   LEU   7           HB1      LEU   7   8.513   6.572   6.572
   51    HG   LEU   7           HG       LEU   7   8.838   7.947   7.947
   52   1HD1  LEU   7          HD13      LEU   7   6.884   6.315   6.315
   53   2HD1  LEU   7          HD12      LEU   7   7.735   5.262   5.262
   54   3HD1  LEU   7          HD11      LEU   7   7.215   6.867   6.867
   55   1HD2  LEU   7          HD23      LEU   7  10.994   6.808   6.808
   56   2HD2  LEU   7          HD22      LEU   7   9.848   7.061   7.061
   57   3HD2  LEU   7          HD21      LEU   7  10.020   5.462   5.462
   58    H    MET   8           HN       MET   8   9.989   5.226   5.226
   59    HA   MET   8           HA       MET   8   7.620   4.029   4.029
   60   1HB   MET   8           HB2      MET   8  10.056   5.353   5.353
   61   2HB   MET   8           HB1      MET   8   9.467   4.087   4.087
   62   1HG   MET   8           HG2      MET   8   7.830   5.448   5.448
   63   2HG   MET   8           HG1      MET   8   7.209   5.599   5.599
   64   1HE   MET   8           HE3      MET   8   7.780   6.988   6.988
   65   2HE   MET   8           HE2      MET   8   9.476   7.458   7.458
   66   3HE   MET   8           HE1      MET   8   8.240   8.685   8.685
   67    H    HIS   9           HN       HIS   9  10.709   2.679   2.679
   68    HA   HIS   9           HA       HIS   9  10.544   0.269   0.269
   69   1HB   HIS   9           HB2      HIS   9  12.686   1.248   1.248
   70   2HB   HIS   9           HB1      HIS   9  12.161   0.776   0.776
   71    HD1  HIS   9           HD1      HIS   9  14.683  -0.479  -0.479
   72    HD2  HIS   9           HD2      HIS   9  11.125  -2.179  -2.179
   73    HE1  HIS   9           HE1      HIS   9  15.188  -2.909  -2.909
   74    H    ASN  10           HN       ASN  10  10.019   0.989   0.989
   75    HA   ASN  10           HA       ASN  10   8.344  -1.488  -1.488
   76   1HB   ASN  10           HB2      ASN  10   9.806  -0.322  -0.322
   77   2HB   ASN  10           HB1      ASN  10   9.213  -1.963  -1.963
   78   1HD2  ASN  10          HD21      ASN  10  11.932   0.195   0.195
   79   2HD2  ASN  10          HD22      ASN  10  12.934  -0.967  -0.967
   80    H    LEU  11           HN       LEU  11   6.320  -0.551  -0.551
   81    HA   LEU  11           HA       LEU  11   5.453   1.326   1.326
   82   1HB   LEU  11           HB2      LEU  11   3.941   2.458   2.458
   83   2HB   LEU  11           HB1      LEU  11   5.650   2.731   2.731
   84    HG   LEU  11           HG       LEU  11   4.899   0.368   0.368
   85   1HD1  LEU  11          HD11      LEU  11   2.574   1.193   1.193
   86   2HD1  LEU  11          HD13      LEU  11   3.076   2.737   2.737
   87   3HD1  LEU  11          HD12      LEU  11   3.162   1.270   1.270
   88   1HD2  LEU  11          HD23      LEU  11   6.695   1.968   1.968
   89   2HD2  LEU  11          HD22      LEU  11   5.586   1.721   1.721
   90   3HD2  LEU  11          HD21      LEU  11   5.476   3.187   3.187
   91    H    GLY  12           HN       GLY  12   3.902   0.311   0.311
   92   1HA   GLY  12           HA2      GLY  12   2.184  -1.182  -1.182
   93   2HA   GLY  12           HA1      GLY  12   1.511  -0.865  -0.865
   94    H    LYS  13           HN       LYS  13   4.600  -2.455  -2.455
   95    HA   LYS  13           HA       LYS  13   3.729  -4.877  -4.877
   96   1HB   LYS  13           HB2      LYS  13   5.551  -3.294  -3.294
   97   2HB   LYS  13           HB1      LYS  13   6.598  -3.976  -3.976
   98   1HG   LYS  13           HG2      LYS  13   5.673  -6.279  -6.279
   99   2HG   LYS  13           HG1      LYS  13   5.393  -5.297  -5.297
  100   1HD   LYS  13           HD2      LYS  13   8.054  -5.332  -5.332
  101   2HD   LYS  13           HD1      LYS  13   7.674  -6.454  -6.454
  102   1HE   LYS  13           HE2      LYS  13   7.656  -4.789  -4.789
  103   2HE   LYS  13           HE1      LYS  13   7.211  -3.527  -3.527
  104   1HZ   LYS  13           HZ2      LYS  13   9.452  -3.711  -3.711
  105   2HZ   LYS  13           HZ1      LYS  13   9.868  -4.844  -4.844
  106   3HZ   LYS  13           HZ3      LYS  13   9.490  -3.251  -3.251
  107    H    HIS  14           HN       HIS  14   6.204  -3.919  -3.919
  108    HA   HIS  14           HA       HIS  14   6.239  -6.671  -6.671
  109   1HB   HIS  14           HB2      HIS  14   7.690  -4.210  -4.210
  110   2HB   HIS  14           HB1      HIS  14   8.009  -5.873  -5.873
  111    HD1  HIS  14           HD1      HIS  14   8.813  -3.362  -3.362
  112    HD2  HIS  14           HD2      HIS  14   9.081  -7.507  -7.507
  113    HE1  HIS  14           HE1      HIS  14  10.356  -4.151  -4.151
  114    H    LEU  15           HN       LEU  15   4.650  -3.650  -3.650
  115    HA   LEU  15           HA       LEU  15   3.186  -3.063  -3.063
  116   1HB   LEU  15           HB2      LEU  15   2.961  -6.070  -6.070
  117   2HB   LEU  15           HB1      LEU  15   1.959  -4.938  -4.938
  118    HG   LEU  15           HG       LEU  15   2.160  -5.084  -5.084
  119   1HD1  LEU  15          HD12      LEU  15   0.924  -6.966  -6.966
  120   2HD1  LEU  15          HD11      LEU  15  -0.131  -5.795  -5.795
  121   3HD1  LEU  15          HD13      LEU  15  -0.126  -5.928  -5.928
  122   1HD2  LEU  15          HD23      LEU  15   0.705  -3.235  -3.235
  123   2HD2  LEU  15          HD22      LEU  15   1.654  -2.834  -2.834
  124   3HD2  LEU  15          HD21      LEU  15   0.058  -3.554  -3.554
  125    H    ASN  16           HN       ASN  16   5.038  -2.093  -2.093
  126    HA   ASN  16           HA       ASN  16   5.856  -3.460  -3.460
  127   1HB   ASN  16           HB2      ASN  16   7.527  -1.401  -1.401
  128   2HB   ASN  16           HB1      ASN  16   8.027  -2.441  -2.441
  129   1HD2  ASN  16          HD21      ASN  16   7.372  -4.996  -4.996
  130   2HD2  ASN  16          HD22      ASN  16   8.044  -5.392  -5.392
  131    H    SER  17           HN       SER  17   5.828  -0.112  -0.112
  132    HA   SER  17           HA       SER  17   4.334   0.786   0.786
  133   1HB   SER  17           HB2      SER  17   6.899   1.987   1.987
  134   2HB   SER  17           HB1      SER  17   5.824   2.855   2.855
  135    HG   SER  17           HG       SER  17   6.289   1.457   1.457
  136    H    MET  18           HN       MET  18   5.753   2.321   2.321
  137    HA   MET  18           HA       MET  18   3.415   3.993   3.993
  138   1HB   MET  18           HB2      MET  18   5.891   4.314   4.314
  139   2HB   MET  18           HB1      MET  18   5.383   3.300   3.300
  140   1HG   MET  18           HG2      MET  18   3.302   5.082   5.082
  141   2HG   MET  18           HG1      MET  18   4.660   6.094   6.094
  142   1HE   MET  18           HE2      MET  18   3.741   7.402   7.402
  143   2HE   MET  18           HE1      MET  18   5.458   7.602   7.602
  144   3HE   MET  18           HE3      MET  18   4.900   7.384   7.384
  145    H    GLU  19           HN       GLU  19   4.409   0.781   0.781
  146    HA   GLU  19           HA       GLU  19   2.291   0.547   0.547
  147   1HB   GLU  19           HB2      GLU  19   3.880  -1.691  -1.691
  148   2HB   GLU  19           HB1      GLU  19   3.069  -1.713  -1.713
  149   1HG   GLU  19           HG2      GLU  19   4.929  -0.928  -0.928
  150   2HG   GLU  19           HG1      GLU  19   4.965   0.468   0.468
  151    H    ARG  20           HN       ARG  20   2.865  -0.570  -0.570
  152    HA   ARG  20           HA       ARG  20   0.497  -2.124  -2.124
  153   1HB   ARG  20           HB2      ARG  20   2.336  -0.819  -0.819
  154   2HB   ARG  20           HB1      ARG  20   0.822  -1.527  -1.527
  155   1HG   ARG  20           HG2      ARG  20   2.009  -3.395  -3.395
  156   2HG   ARG  20           HG1      ARG  20   3.267  -2.862  -2.862
  157   1HD   ARG  20           HD2      ARG  20   2.128  -3.642  -3.642
  158   2HD   ARG  20           HD1      ARG  20   0.566  -3.634  -3.634
  159    HE   ARG  20           HE       ARG  20   2.709  -5.598  -5.598
  160   1HH1  ARG  20          HH11      ARG  20   0.306  -5.696  -5.696
  161   2HH1  ARG  20          HH12      ARG  20  -0.703  -6.849  -6.849
  162   1HH2  ARG  20          HH21      ARG  20   1.055  -6.689  -6.689
  163   2HH2  ARG  20          HH22      ARG  20  -0.274  -7.419  -7.419
  164    H    VAL  21           HN       VAL  21   1.030   1.231   1.231
  165    HA   VAL  21           HA       VAL  21  -1.532   1.850   1.850
  166    HB   VAL  21           HB       VAL  21   0.380   3.401   3.401
  167   1HG1  VAL  21          HG12      VAL  21   1.108   2.794   2.794
  168   2HG1  VAL  21          HG11      VAL  21  -0.027   4.028   4.028
  169   3HG1  VAL  21          HG13      VAL  21   1.326   4.465   4.465
  170   1HG2  VAL  21          HG23      VAL  21  -2.092   4.225   4.225
  171   2HG2  VAL  21          HG22      VAL  21  -0.813   5.422   5.422
  172   3HG2  VAL  21          HG21      VAL  21  -1.702   4.833   4.833
  173    H    GLU  22           HN       GLU  22  -0.501   1.766   1.766
  174    HA   GLU  22           HA       GLU  22  -3.006   2.731   2.731
  175   1HB   GLU  22           HB2      GLU  22  -0.931   2.822   2.822
  176   2HB   GLU  22           HB1      GLU  22  -0.753   1.075   1.075
  177   1HG   GLU  22           HG2      GLU  22  -3.352   1.930   1.930
  178   2HG   GLU  22           HG1      GLU  22  -1.975   2.424   2.424
  179    H    TRP  23           HN       TRP  23  -1.624  -0.525  -0.525
  180    HA   TRP  23           HA       TRP  23  -3.731  -2.124  -2.124
  181   1HB   TRP  23           HB2      TRP  23  -1.925  -3.467  -3.467
  182   2HB   TRP  23           HB1      TRP  23  -1.534  -2.514  -2.514
  183    HD1  TRP  23           HD1      TRP  23  -4.463  -4.791  -4.791
  184    HE1  TRP  23           HE1      TRP  23  -5.141  -6.268  -6.268
  185    HE3  TRP  23           HE3      TRP  23  -1.212  -3.054  -3.054
  186    HZ2  TRP  23           HZ2      TRP  23  -4.413  -6.638  -6.638
  187    HZ3  TRP  23           HZ3      TRP  23  -1.262  -3.943  -3.943
  188    HH2  TRP  23           HH2      TRP  23  -2.832  -5.743  -5.743
  189    H    LEU  24           HN       LEU  24  -3.316  -0.745  -0.745
  190    HA   LEU  24           HA       LEU  24  -5.630  -1.843  -1.843
  191   1HB   LEU  24           HB2      LEU  24  -4.095   0.709   0.709
  192   2HB   LEU  24           HB1      LEU  24  -5.580   0.390   0.390
  193    HG   LEU  24           HG       LEU  24  -3.978  -0.504  -0.504
  194   1HD1  LEU  24          HD13      LEU  24  -5.663  -2.294  -2.294
  195   2HD1  LEU  24          HD12      LEU  24  -4.419  -2.923  -2.923
  196   3HD1  LEU  24          HD11      LEU  24  -4.151  -2.916  -2.916
  197   1HD2  LEU  24          HD22      LEU  24  -2.093  -0.119  -0.119
  198   2HD2  LEU  24          HD21      LEU  24  -1.964  -1.682  -1.682
  199   3HD2  LEU  24          HD23      LEU  24  -2.520  -1.590  -1.590
  200    H    ARG  25           HN       ARG  25  -5.277   1.174   1.174
  201    HA   ARG  25           HA       ARG  25  -7.942   2.166   2.166
  202   1HB   ARG  25           HB2      ARG  25  -5.765   2.495   2.495
  203   2HB   ARG  25           HB1      ARG  25  -7.365   3.159   3.159
  204   1HG   ARG  25           HG2      ARG  25  -7.152   4.787   4.787
  205   2HG   ARG  25           HG1      ARG  25  -6.284   3.730   3.730
  206   1HD   ARG  25           HD2      ARG  25  -4.348   3.908   3.908
  207   2HD   ARG  25           HD1      ARG  25  -5.207   5.359   5.359
  208    HE   ARG  25           HE       ARG  25  -3.898   4.973   4.973
  209   1HH1  ARG  25          HH11      ARG  25  -3.107   7.272   7.272
  210   2HH1  ARG  25          HH12      ARG  25  -4.056   8.572   8.572
  211   1HH2  ARG  25          HH21      ARG  25  -6.305   6.469   6.469
  212   2HH2  ARG  25          HH22      ARG  25  -5.881   8.112   8.112
  213    H    LYS  26           HN       LYS  26  -6.535  -0.085  -0.085
  214    HA   LYS  26           HA       LYS  26  -9.017  -0.451  -0.451
  215   1HB   LYS  26           HB2      LYS  26  -6.310  -1.722  -1.722
  216   2HB   LYS  26           HB1      LYS  26  -7.640  -2.669  -2.669
  217   1HG   LYS  26           HG2      LYS  26  -6.967  -1.519  -1.519
  218   2HG   LYS  26           HG1      LYS  26  -8.193  -0.414  -0.414
  219   1HD   LYS  26           HD2      LYS  26  -5.487   0.001   0.001
  220   2HD   LYS  26           HD1      LYS  26  -5.621   0.316   0.316
  221   1HE   LYS  26           HE2      LYS  26  -7.366   1.930   1.930
  222   2HE   LYS  26           HE1      LYS  26  -7.546   1.471   1.471
  223   1HZ   LYS  26           HZ3      LYS  26  -5.253   2.231   2.231
  224   2HZ   LYS  26           HZ2      LYS  26  -5.172   2.762   2.762
  225   3HZ   LYS  26           HZ1      LYS  26  -6.268   3.480   3.480
  226    H    LYS  27           HN       LYS  27  -7.370  -2.266  -2.266
  227    HA   LYS  27           HA       LYS  27  -9.174  -4.478  -4.478
  228   1HB   LYS  27           HB2      LYS  27  -6.854  -4.215  -4.215
  229   2HB   LYS  27           HB1      LYS  27  -7.690  -3.347  -3.347
  230   1HG   LYS  27           HG2      LYS  27  -7.551  -5.627  -5.627
  231   2HG   LYS  27           HG1      LYS  27  -9.221  -5.373  -5.373
  232   1HD   LYS  27           HD2      LYS  27  -7.386  -6.285  -6.285
  233   2HD   LYS  27           HD1      LYS  27  -7.674  -7.458  -7.458
  234   1HE   LYS  27           HE2      LYS  27 -10.029  -6.018  -6.018
  235   2HE   LYS  27           HE1      LYS  27  -9.294  -7.328  -7.328
  236   1HZ   LYS  27           HZ2      LYS  27  -9.584  -8.779  -8.779
  237   2HZ   LYS  27           HZ1      LYS  27 -10.322  -7.510  -7.510
  238   3HZ   LYS  27           HZ3      LYS  27 -11.070  -8.144  -8.144
  239    H    LEU  28           HN       LEU  28  -9.261  -1.278  -1.278
  240    HA   LEU  28           HA       LEU  28 -11.505  -1.812  -1.812
  241   1HB   LEU  28           HB2      LEU  28 -10.287   0.728   0.728
  242   2HB   LEU  28           HB1      LEU  28 -11.719   0.764   0.764
  243    HG   LEU  28           HG       LEU  28  -9.314  -0.793  -0.793
  244   1HD1  LEU  28          HD13      LEU  28  -8.588   1.535   1.535
  245   2HD1  LEU  28          HD12      LEU  28  -9.656   2.172   2.172
  246   3HD1  LEU  28          HD11      LEU  28  -8.288   1.153   1.153
  247   1HD2  LEU  28          HD22      LEU  28 -11.483  -0.876  -0.876
  248   2HD2  LEU  28          HD21      LEU  28 -10.193  -0.169  -0.169
  249   3HD2  LEU  28          HD23      LEU  28 -11.401   0.871   0.871
  250    H    GLN  29           HN       GLN  29 -11.248  -0.369  -0.369
  251    HA   GLN  29           HA       GLN  29 -14.154  -0.113  -0.113
  252   1HB   GLN  29           HB2      GLN  29 -13.722   0.800   0.800
  253   2HB   GLN  29           HB1      GLN  29 -12.538   1.478   1.478
  254   1HG   GLN  29           HG2      GLN  29 -10.928  -0.318  -0.318
  255   2HG   GLN  29           HG1      GLN  29 -12.098  -0.764  -0.764
  256   1HE2  GLN  29          HE21      GLN  29 -12.740   1.084   1.084
  257   2HE2  GLN  29          HE22      GLN  29 -11.555   2.240   2.240
  258    H    ASP  30           HN       ASP  30 -12.094  -2.823  -2.823
  259    HA   ASP  30           HA       ASP  30 -13.088  -4.170  -4.170
  260   1HB   ASP  30           HB2      ASP  30 -11.591  -4.909  -4.909
  261   2HB   ASP  30           HB1      ASP  30 -12.623  -6.206  -6.206
  262    H    VAL  31           HN       VAL  31 -14.146  -4.557  -4.557
  263    HA   VAL  31           HA       VAL  31 -16.507  -6.082  -6.082
  264    HB   VAL  31           HB       VAL  31 -15.354  -6.263  -6.263
  265   1HG1  VAL  31          HG13      VAL  31 -15.101  -3.735  -3.735
  266   2HG1  VAL  31          HG12      VAL  31 -16.807  -3.707  -3.707
  267   3HG1  VAL  31          HG11      VAL  31 -15.654  -4.614  -4.614
  268   1HG2  VAL  31          HG21      VAL  31 -17.706  -7.036  -7.036
  269   2HG2  VAL  31          HG23      VAL  31 -17.402  -6.587  -6.587
  270   3HG2  VAL  31          HG22      VAL  31 -18.279  -5.485  -5.485
  271    H    HIS  32           HN       HIS  32 -15.850  -2.630  -2.630
  272    HA   HIS  32           HA       HIS  32 -18.536  -1.665  -1.665
  273   1HB   HIS  32           HB2      HIS  32 -16.543  -0.269  -0.269
  274   2HB   HIS  32           HB1      HIS  32 -16.094  -0.320  -0.320
  275    HD1  HIS  32           HD1      HIS  32 -17.437   1.141   1.141
  276    HD2  HIS  32           HD2      HIS  32 -18.818   1.390   1.390
  277    HE1  HIS  32           HE1      HIS  32 -19.068   3.078   3.078
  278    H    ASN  33           HN       ASN  33 -16.434  -2.065  -2.065
  279    HA   ASN  33           HA       ASN  33 -18.582  -1.370  -1.370
  280   1HB   ASN  33           HB2      ASN  33 -15.777  -2.469  -2.469
  281   2HB   ASN  33           HB1      ASN  33 -16.875  -2.305  -2.305
  282   1HD2  ASN  33          HD21      ASN  33 -15.138  -0.427  -0.427
  283   2HD2  ASN  33          HD22      ASN  33 -15.274   1.062   1.062
  284    H    PHE  34           HN       PHE  34 -16.955  -4.400  -4.400
  285    HA   PHE  34           HA       PHE  34 -19.035  -5.984  -5.984
  286   1HB   PHE  34           HB2      PHE  34 -16.362  -6.812  -6.812
  287   2HB   PHE  34           HB1      PHE  34 -17.495  -7.921  -7.921
  288    HD1  PHE  34           HD2      PHE  34 -17.918  -7.825  -7.825
  289    HD2  PHE  34           HD1      PHE  34 -15.091  -5.188  -5.188
  290    HE1  PHE  34           HE2      PHE  34 -16.993  -7.235  -7.235
  291    HE2  PHE  34           HE1      PHE  34 -14.168  -4.599  -4.599
  292    HZ   PHE  34           HZ       PHE  34 -15.118  -5.620  -5.620
  293    H    VAL  35           HN       VAL  35 -20.690  -5.516  -5.516
  294    HA   VAL  35           HA       VAL  35 -20.293  -6.401  -6.401
  295    HB   VAL  35           HB       VAL  35 -22.812  -5.401  -5.401
  296   1HG1  VAL  35          HG11      VAL  35 -22.147  -5.866  -5.866
  297   2HG1  VAL  35          HG13      VAL  35 -23.555  -4.959  -4.959
  298   3HG1  VAL  35          HG12      VAL  35 -23.399  -6.671  -6.671
  299   1HG2  VAL  35          HG21      VAL  35 -20.805  -3.966  -3.966
  300   2HG2  VAL  35          HG23      VAL  35 -21.047  -3.686  -3.686
  301   3HG2  VAL  35          HG22      VAL  35 -22.321  -3.274  -3.274
  302    H    ALA  36           HN       ALA  36 -22.492  -7.328  -7.328
  303    HA   ALA  36           HA       ALA  36 -23.410  -9.377  -9.377
  304   1HB   ALA  36           HB2      ALA  36 -20.933 -10.095 -10.095
  305   2HB   ALA  36           HB1      ALA  36 -21.797 -10.929 -10.929
  306   3HB   ALA  36           HB3      ALA  36 -22.164 -11.293 -11.293
  307    H    LEU  37           HN       LEU  37 -24.792 -11.194 -11.194
  308    HA   LEU  37           HA       LEU  37 -25.826 -10.685 -10.685
  309   1HB   LEU  37           HB2      LEU  37 -27.178  -9.864  -9.864
  310   2HB   LEU  37           HB1      LEU  37 -27.898 -11.440 -11.440
  311    HG   LEU  37           HG       LEU  37 -28.025 -10.578 -10.578
  312   1HD1  LEU  37          HD12      LEU  37 -27.882  -7.994  -7.994
  313   2HD1  LEU  37          HD11      LEU  37 -28.386  -8.119  -8.119
  314   3HD1  LEU  37          HD13      LEU  37 -26.732  -8.523  -8.523
  315   1HD2  LEU  37          HD23      LEU  37 -29.829  -9.512  -9.512
  316   2HD2  LEU  37          HD22      LEU  37 -29.978 -11.082 -11.082
  317   3HD2  LEU  37          HD21      LEU  37 -30.254  -9.602  -9.602
  318    H    GLY  38           HN       GLY  38 -25.148 -12.573 -12.573
  319   1HA   GLY  38           HA2      GLY  38 -25.455 -14.872 -14.872
  320   2HA   GLY  38           HA1      GLY  38 -26.297 -15.124 -15.124
  321    H    ALA  39           HN       ALA  39 -24.851 -14.876 -14.876
  322    HA   ALA  39           HA       ALA  39 -22.202 -16.170 -16.170
  323   1HB   ALA  39           HB2      ALA  39 -23.838 -17.509 -17.509
  324   2HB   ALA  39           HB1      ALA  39 -23.892 -16.218 -16.218
  325   3HB   ALA  39           HB3      ALA  39 -22.394 -17.110 -17.110

  Start of MODEL    5
    1   1H    SER   1           HT3      SER   1  28.853 -13.081 -13.081
    2   2H    SER   1           HT2      SER   1  27.155 -13.012 -13.012
    3   3H    SER   1           HT1      SER   1  27.965 -14.441 -14.441
    4    HA   SER   1           HA       SER   1  28.761 -14.745 -14.745
    5   1HB   SER   1           HB2      SER   1  26.406 -15.495 -15.495
    6   2HB   SER   1           HB1      SER   1  25.798 -14.175 -14.175
    7    HG   SER   1           HG       SER   1  25.986 -15.549 -15.549
    8    H    VAL   2           HN       VAL   2  28.008 -14.095 -14.095
    9    HA   VAL   2           HA       VAL   2  28.537 -11.192 -11.192
   10    HB   VAL   2           HB       VAL   2  29.850 -12.898 -12.898
   11   1HG1  VAL   2          HG13      VAL   2  27.828 -14.367 -14.367
   12   2HG1  VAL   2          HG12      VAL   2  27.354 -13.166 -13.166
   13   3HG1  VAL   2          HG11      VAL   2  28.879 -14.033 -14.033
   14   1HG2  VAL   2          HG21      VAL   2  29.603 -10.497 -10.497
   15   2HG2  VAL   2          HG23      VAL   2  29.865 -11.583 -11.583
   16   3HG2  VAL   2          HG22      VAL   2  28.249 -10.966 -10.966
   17    H    SER   3           HN       SER   3  25.979 -13.565 -13.565
   18    HA   SER   3           HA       SER   3  24.108 -11.286 -11.286
   19   1HB   SER   3           HB2      SER   3  22.983 -12.753 -12.753
   20   2HB   SER   3           HB1      SER   3  24.526 -12.044 -12.044
   21    HG   SER   3           HG       SER   3  25.364 -13.983 -13.983
   22    H    GLU   4           HN       GLU   4  22.757 -11.432 -11.432
   23    HA   GLU   4           HA       GLU   4  21.459 -14.050 -14.050
   24   1HB   GLU   4           HB2      GLU   4  21.745 -13.616 -13.616
   25   2HB   GLU   4           HB1      GLU   4  23.240 -13.990 -13.990
   26   1HG   GLU   4           HG2      GLU   4  22.646 -11.106 -11.106
   27   2HG   GLU   4           HG1      GLU   4  22.828 -11.791 -11.791
   28    H    ILE   5           HN       ILE   5  20.358 -11.799 -11.799
   29    HA   ILE   5           HA       ILE   5  18.459 -10.597 -10.597
   30    HB   ILE   5           HB       ILE   5  19.817  -9.169  -9.169
   31   1HG1  ILE   5          HG12      ILE   5  17.664  -7.820  -7.820
   32   2HG1  ILE   5          HG11      ILE   5  16.829  -9.023  -9.023
   33   1HG2  ILE   5          HG23      ILE   5  19.287 -10.778 -10.778
   34   2HG2  ILE   5          HG22      ILE   5  17.732  -9.953  -9.953
   35   3HG2  ILE   5          HG21      ILE   5  19.224  -9.046  -9.046
   36   1HD1  ILE   5          HD11      ILE   5  19.239  -7.512  -7.512
   37   2HD1  ILE   5          HD13      ILE   5  17.595  -6.907  -6.907
   38   3HD1  ILE   5          HD12      ILE   5  18.062  -8.440  -8.440
   39    H    GLN   6           HN       GLN   6  18.289 -13.448 -13.448
   40    HA   GLN   6           HA       GLN   6  16.048 -13.627 -13.627
   41   1HB   GLN   6           HB2      GLN   6  17.397 -15.643 -15.643
   42   2HB   GLN   6           HB1      GLN   6  16.019 -16.057 -16.057
   43   1HG   GLN   6           HG2      GLN   6  17.724 -16.603 -16.603
   44   2HG   GLN   6           HG1      GLN   6  17.525 -14.906 -14.906
   45   1HE2  GLN   6          HE21      GLN   6  19.382 -13.580 -13.580
   46   2HE2  GLN   6          HE22      GLN   6  20.789 -14.052 -14.052
   47    H    LEU   7           HN       LEU   7  16.397 -14.018 -14.018
   48    HA   LEU   7           HA       LEU   7  13.633 -14.556 -14.556
   49   1HB   LEU   7           HB2      LEU   7  15.641 -14.838 -14.838
   50   2HB   LEU   7           HB1      LEU   7  15.522 -13.106 -13.106
   51    HG   LEU   7           HG       LEU   7  12.887 -14.158 -14.158
   52   1HD1  LEU   7          HD13      LEU   7  14.951 -15.740 -15.740
   53   2HD1  LEU   7          HD12      LEU   7  13.206 -15.810 -15.810
   54   3HD1  LEU   7          HD11      LEU   7  13.908 -16.381 -16.381
   55   1HD2  LEU   7          HD23      LEU   7  14.905 -13.271 -13.271
   56   2HD2  LEU   7          HD22      LEU   7  13.801 -12.216 -12.216
   57   3HD2  LEU   7          HD21      LEU   7  13.165 -13.401 -13.401
   58    H    MET   8           HN       MET   8  15.475 -11.460 -11.460
   59    HA   MET   8           HA       MET   8  13.285  -9.754  -9.754
   60   1HB   MET   8           HB2      MET   8  15.829  -9.221  -9.221
   61   2HB   MET   8           HB1      MET   8  15.533  -8.881  -8.881
   62   1HG   MET   8           HG2      MET   8  13.525  -7.607  -7.607
   63   2HG   MET   8           HG1      MET   8  15.150  -7.120  -7.120
   64   1HE   MET   8           HE2      MET   8  16.564  -5.620  -5.620
   65   2HE   MET   8           HE1      MET   8  16.011  -4.470  -4.470
   66   3HE   MET   8           HE3      MET   8  15.139  -4.631  -4.631
   67    H    HIS   9           HN       HIS   9  14.489 -10.824 -10.824
   68    HA   HIS   9           HA       HIS   9  12.650  -9.268  -9.268
   69   1HB   HIS   9           HB2      HIS   9  14.376 -11.663 -11.663
   70   2HB   HIS   9           HB1      HIS   9  13.121 -11.263 -11.263
   71    HD1  HIS   9           HD1      HIS   9  14.751 -10.412 -10.412
   72    HD2  HIS   9           HD2      HIS   9  15.134  -8.390  -8.390
   73    HE1  HIS   9           HE1      HIS   9  16.216  -8.396  -8.396
   74    H    ASN  10           HN       ASN  10  12.384 -12.495 -12.495
   75    HA   ASN  10           HA       ASN  10   9.662 -12.853 -12.853
   76   1HB   ASN  10           HB2      ASN  10  11.531 -14.652 -14.652
   77   2HB   ASN  10           HB1      ASN  10   9.856 -15.097 -15.097
   78   1HD2  ASN  10          HD21      ASN  10  12.984 -14.388 -14.388
   79   2HD2  ASN  10          HD22      ASN  10  12.571 -15.136 -15.136
   80    H    LEU  11           HN       LEU  11   9.793 -10.659 -10.659
   81    HA   LEU  11           HA       LEU  11   7.949 -11.496 -11.496
   82   1HB   LEU  11           HB2      LEU  11  10.748 -10.750 -10.750
   83   2HB   LEU  11           HB1      LEU  11   9.623  -9.722  -9.722
   84    HG   LEU  11           HG       LEU  11   9.258 -12.713 -12.713
   85   1HD1  LEU  11          HD13      LEU  11  11.111 -11.086 -11.086
   86   2HD1  LEU  11          HD12      LEU  11  10.592 -12.731 -12.731
   87   3HD1  LEU  11          HD11      LEU  11  11.564 -12.409 -12.409
   88   1HD2  LEU  11          HD21      LEU  11   8.610 -10.480 -10.480
   89   2HD2  LEU  11          HD23      LEU  11   7.459 -11.292 -11.292
   90   3HD2  LEU  11          HD22      LEU  11   8.234 -12.185 -12.185
   91    H    GLY  12           HN       GLY  12   6.681 -10.284 -10.284
   92   1HA   GLY  12           HA2      GLY  12   5.422  -8.386  -8.386
   93   2HA   GLY  12           HA1      GLY  12   6.064  -7.598  -7.598
   94    H    LYS  13           HN       LYS  13   7.431  -8.741  -8.741
   95    HA   LYS  13           HA       LYS  13   9.503  -6.781  -6.781
   96   1HB   LYS  13           HB2      LYS  13   9.248  -8.912  -8.912
   97   2HB   LYS  13           HB1      LYS  13   8.153  -7.973  -7.973
   98   1HG   LYS  13           HG2      LYS  13  10.243  -7.700  -7.700
   99   2HG   LYS  13           HG1      LYS  13  10.076  -6.227  -6.227
  100   1HD   LYS  13           HD2      LYS  13  11.359  -8.528  -8.528
  101   2HD   LYS  13           HD1      LYS  13  12.288  -7.802  -7.802
  102   1HE   LYS  13           HE2      LYS  13  12.850  -6.068  -6.068
  103   2HE   LYS  13           HE1      LYS  13  11.151  -5.693  -5.693
  104   1HZ   LYS  13           HZ2      LYS  13  11.277  -7.643  -7.643
  105   2HZ   LYS  13           HZ1      LYS  13  12.956  -7.397  -7.397
  106   3HZ   LYS  13           HZ3      LYS  13  11.939  -6.143  -6.143
  107    H    HIS  14           HN       HIS  14   6.227  -6.756  -6.756
  108    HA   HIS  14           HA       HIS  14   6.543  -3.818  -3.818
  109   1HB   HIS  14           HB2      HIS  14   5.897  -5.577  -5.577
  110   2HB   HIS  14           HB1      HIS  14   4.288  -5.417  -5.417
  111    HD1  HIS  14           HD1      HIS  14   3.343  -2.880  -2.880
  112    HD2  HIS  14           HD2      HIS  14   6.643  -3.461  -3.461
  113    HE1  HIS  14           HE1      HIS  14   3.473  -0.848  -0.848
  114    H    LEU  15           HN       LEU  15   6.138  -4.553  -4.553
  115    HA   LEU  15           HA       LEU  15   3.642  -3.263  -3.263
  116   1HB   LEU  15           HB2      LEU  15   3.360  -5.974  -5.974
  117   2HB   LEU  15           HB1      LEU  15   3.656  -5.902  -5.902
  118    HG   LEU  15           HG       LEU  15   1.873  -4.114  -4.114
  119   1HD1  LEU  15          HD11      LEU  15   1.332  -5.000  -5.000
  120   2HD1  LEU  15          HD13      LEU  15   0.288  -3.947  -3.947
  121   3HD1  LEU  15          HD12      LEU  15   1.899  -3.407  -3.407
  122   1HD2  LEU  15          HD21      LEU  15   1.479  -6.544  -6.544
  123   2HD2  LEU  15          HD23      LEU  15   0.038  -5.690  -5.690
  124   3HD2  LEU  15          HD22      LEU  15   0.925  -6.738  -6.738
  125    H    ASN  16           HN       ASN  16   5.276  -1.902  -1.902
  126    HA   ASN  16           HA       ASN  16   6.375  -2.960  -2.960
  127   1HB   ASN  16           HB2      ASN  16   7.760  -1.049  -1.049
  128   2HB   ASN  16           HB1      ASN  16   8.394  -1.586  -1.586
  129   1HD2  ASN  16          HD21      ASN  16   7.804  -2.587  -2.587
  130   2HD2  ASN  16          HD22      ASN  16   8.645  -4.057  -4.057
  131    H    SER  17           HN       SER  17   5.940   0.204   0.204
  132    HA   SER  17           HA       SER  17   4.628   1.230   1.230
  133   1HB   SER  17           HB2      SER  17   6.994   2.018   2.018
  134   2HB   SER  17           HB1      SER  17   6.651   2.768   2.768
  135    HG   SER  17           HG       SER  17   5.888   3.505   3.505
  136    H    MET  18           HN       MET  18   5.360   2.666   2.666
  137    HA   MET  18           HA       MET  18   2.714   3.844   3.844
  138   1HB   MET  18           HB2      MET  18   3.369   4.517   4.517
  139   2HB   MET  18           HB1      MET  18   4.669   4.850   4.850
  140   1HG   MET  18           HG2      MET  18   5.081   2.201   2.201
  141   2HG   MET  18           HG1      MET  18   4.738   3.219   3.219
  142   1HE   MET  18           HE1      MET  18   7.155   1.751   1.751
  143   2HE   MET  18           HE3      MET  18   8.659   2.561   2.561
  144   3HE   MET  18           HE2      MET  18   7.657   1.801   1.801
  145    H    GLU  19           HN       GLU  19   4.055   0.766   0.766
  146    HA   GLU  19           HA       GLU  19   1.733   0.082   0.082
  147   1HB   GLU  19           HB2      GLU  19   3.707  -1.959  -1.959
  148   2HB   GLU  19           HB1      GLU  19   2.878  -1.854  -1.854
  149   1HG   GLU  19           HG2      GLU  19   4.826  -1.044  -1.044
  150   2HG   GLU  19           HG1      GLU  19   4.465   0.443   0.443
  151    H    ARG  20           HN       ARG  20   3.028  -0.641  -0.641
  152    HA   ARG  20           HA       ARG  20   1.082  -2.582  -2.582
  153   1HB   ARG  20           HB2      ARG  20   3.229  -1.187  -1.187
  154   2HB   ARG  20           HB1      ARG  20   1.805  -1.053  -1.053
  155   1HG   ARG  20           HG2      ARG  20   2.224  -3.754  -3.754
  156   2HG   ARG  20           HG1      ARG  20   3.515  -3.211  -3.211
  157   1HD   ARG  20           HD2      ARG  20   1.947  -2.764  -2.764
  158   2HD   ARG  20           HD1      ARG  20   0.573  -3.061  -3.061
  159    HE   ARG  20           HE       ARG  20   2.508  -5.229  -5.229
  160   1HH1  ARG  20          HH11      ARG  20   0.455  -5.836  -5.836
  161   2HH1  ARG  20          HH12      ARG  20  -0.826  -6.534  -6.534
  162   1HH2  ARG  20          HH21      ARG  20   0.376  -5.324  -5.324
  163   2HH2  ARG  20          HH22      ARG  20  -0.872  -6.242  -6.242
  164    H    VAL  21           HN       VAL  21   1.151   0.906   0.906
  165    HA   VAL  21           HA       VAL  21  -1.446   1.128   1.128
  166    HB   VAL  21           HB       VAL  21   0.248   2.936   2.936
  167   1HG1  VAL  21          HG13      VAL  21   0.893   2.417   2.417
  168   2HG1  VAL  21          HG12      VAL  21  -0.363   3.576   3.576
  169   3HG1  VAL  21          HG11      VAL  21   1.011   4.073   4.073
  170   1HG2  VAL  21          HG23      VAL  21  -2.320   3.384   3.384
  171   2HG2  VAL  21          HG22      VAL  21  -1.242   4.757   4.757
  172   3HG2  VAL  21          HG21      VAL  21  -2.085   4.042   4.042
  173    H    GLU  22           HN       GLU  22  -0.426   1.142   1.142
  174    HA   GLU  22           HA       GLU  22  -2.930   1.859   1.859
  175   1HB   GLU  22           HB2      GLU  22  -0.811   1.807   1.807
  176   2HB   GLU  22           HB1      GLU  22  -0.769   0.054   0.054
  177   1HG   GLU  22           HG2      GLU  22  -1.673   0.677   0.677
  178   2HG   GLU  22           HG1      GLU  22  -2.937  -0.079  -0.079
  179    H    TRP  23           HN       TRP  23  -1.663  -1.320  -1.320
  180    HA   TRP  23           HA       TRP  23  -3.727  -2.992  -2.992
  181   1HB   TRP  23           HB2      TRP  23  -1.953  -4.216  -4.216
  182   2HB   TRP  23           HB1      TRP  23  -1.843  -3.176  -3.176
  183    HD1  TRP  23           HD1      TRP  23  -4.521  -5.523  -5.523
  184    HE1  TRP  23           HE1      TRP  23  -5.589  -6.878  -6.878
  185    HE3  TRP  23           HE3      TRP  23  -1.964  -3.583  -3.583
  186    HZ2  TRP  23           HZ2      TRP  23  -5.388  -7.075  -7.075
  187    HZ3  TRP  23           HZ3      TRP  23  -2.451  -4.314  -4.314
  188    HH2  TRP  23           HH2      TRP  23  -4.136  -6.073  -6.073
  189    H    LEU  24           HN       LEU  24  -3.597  -1.033  -1.033
  190    HA   LEU  24           HA       LEU  24  -6.138  -1.894  -1.894
  191   1HB   LEU  24           HB2      LEU  24  -4.436   0.565   0.565
  192   2HB   LEU  24           HB1      LEU  24  -5.969   0.291   0.291
  193    HG   LEU  24           HG       LEU  24  -4.389  -0.591  -0.591
  194   1HD1  LEU  24          HD12      LEU  24  -6.228  -2.254  -2.254
  195   2HD1  LEU  24          HD11      LEU  24  -5.003  -3.057  -3.057
  196   3HD1  LEU  24          HD13      LEU  24  -4.805  -2.955  -2.955
  197   1HD2  LEU  24          HD21      LEU  24  -2.492  -0.438  -0.438
  198   2HD2  LEU  24          HD23      LEU  24  -2.450  -1.895  -1.895
  199   3HD2  LEU  24          HD22      LEU  24  -3.006  -1.980  -1.980
  200    H    ARG  25           HN       ARG  25  -5.139   0.902   0.902
  201    HA   ARG  25           HA       ARG  25  -7.735   2.159   2.159
  202   1HB   ARG  25           HB2      ARG  25  -5.255   2.285   2.285
  203   2HB   ARG  25           HB1      ARG  25  -6.731   3.111   3.111
  204   1HG   ARG  25           HG2      ARG  25  -6.184   4.823   4.823
  205   2HG   ARG  25           HG1      ARG  25  -6.357   3.743   3.743
  206   1HD   ARG  25           HD2      ARG  25  -4.153   4.162   4.162
  207   2HD   ARG  25           HD1      ARG  25  -3.890   3.014   3.014
  208    HE   ARG  25           HE       ARG  25  -3.657   5.951   5.951
  209   1HH1  ARG  25          HH21      ARG  25  -1.538   4.066   4.066
  210   2HH1  ARG  25          HH22      ARG  25  -1.789   4.069   4.069
  211   1HH2  ARG  25          HH11      ARG  25  -4.985   5.443   5.443
  212   2HH2  ARG  25          HH12      ARG  25  -3.758   4.849   4.849
  213    H    LYS  26           HN       LYS  26  -6.097  -0.232  -0.232
  214    HA   LYS  26           HA       LYS  26  -8.204  -0.461  -0.461
  215   1HB   LYS  26           HB2      LYS  26  -6.015  -2.399  -2.399
  216   2HB   LYS  26           HB1      LYS  26  -7.092  -2.670  -2.670
  217   1HG   LYS  26           HG2      LYS  26  -5.364  -0.195  -0.195
  218   2HG   LYS  26           HG1      LYS  26  -4.856  -1.628  -1.628
  219   1HD   LYS  26           HD2      LYS  26  -5.937  -0.838  -0.838
  220   2HD   LYS  26           HD1      LYS  26  -7.459  -1.018  -1.018
  221   1HE   LYS  26           HE2      LYS  26  -7.585   1.244   1.244
  222   2HE   LYS  26           HE1      LYS  26  -6.610   1.302   1.302
  223   1HZ   LYS  26           HZ3      LYS  26  -4.629   1.138   1.138
  224   2HZ   LYS  26           HZ2      LYS  26  -5.729   1.561   1.561
  225   3HZ   LYS  26           HZ1      LYS  26  -5.455   2.617   2.617
  226    H    LYS  27           HN       LYS  27  -7.740  -1.873  -1.873
  227    HA   LYS  27           HA       LYS  27  -9.854  -3.883  -3.883
  228   1HB   LYS  27           HB2      LYS  27  -7.855  -4.327  -4.327
  229   2HB   LYS  27           HB1      LYS  27  -8.298  -2.985  -2.985
  230   1HG   LYS  27           HG2      LYS  27  -9.247  -4.686  -4.686
  231   2HG   LYS  27           HG1      LYS  27 -10.603  -4.344  -4.344
  232   1HD   LYS  27           HD2      LYS  27  -8.484  -6.388  -6.388
  233   2HD   LYS  27           HD1      LYS  27  -9.894  -6.816  -6.816
  234   1HE   LYS  27           HE2      LYS  27  -9.922  -5.684  -5.684
  235   2HE   LYS  27           HE1      LYS  27 -10.304  -7.336  -7.336
  236   1HZ   LYS  27           HZ1      LYS  27 -12.087  -6.225  -6.225
  237   2HZ   LYS  27           HZ3      LYS  27 -11.863  -4.873  -4.873
  238   3HZ   LYS  27           HZ2      LYS  27 -12.369  -6.349  -6.349
  239    H    LEU  28           HN       LEU  28  -9.435  -0.725  -0.725
  240    HA   LEU  28           HA       LEU  28 -12.019  -0.682  -0.682
  241   1HB   LEU  28           HB2      LEU  28  -9.742   0.914   0.914
  242   2HB   LEU  28           HB1      LEU  28 -10.935   1.960   1.960
  243    HG   LEU  28           HG       LEU  28 -11.693   0.402   0.402
  244   1HD1  LEU  28          HD13      LEU  28  -9.570   1.538   1.538
  245   2HD1  LEU  28          HD12      LEU  28 -10.239   3.065   3.065
  246   3HD1  LEU  28          HD11      LEU  28 -10.929   2.280   2.280
  247   1HD2  LEU  28          HD23      LEU  28 -12.504   3.076   3.076
  248   2HD2  LEU  28          HD22      LEU  28 -13.459   1.594   1.594
  249   3HD2  LEU  28          HD21      LEU  28 -13.132   2.430   2.430
  250    H    GLN  29           HN       GLN  29 -10.869   0.526   0.526
  251    HA   GLN  29           HA       GLN  29 -13.173   2.004   2.004
  252   1HB   GLN  29           HB2      GLN  29 -12.451   1.649   1.649
  253   2HB   GLN  29           HB1      GLN  29 -11.119   2.135   2.135
  254   1HG   GLN  29           HG2      GLN  29  -9.988   0.326   0.326
  255   2HG   GLN  29           HG1      GLN  29 -11.159  -0.680  -0.680
  256   1HE2  GLN  29          HE21      GLN  29 -12.338  -2.104  -2.104
  257   2HE2  GLN  29          HE22      GLN  29 -12.515  -1.937  -1.937
  258    H    ASP  30           HN       ASP  30 -12.775  -1.507  -1.507
  259    HA   ASP  30           HA       ASP  30 -14.838  -2.335  -2.335
  260   1HB   ASP  30           HB2      ASP  30 -13.861  -3.569  -3.569
  261   2HB   ASP  30           HB1      ASP  30 -15.007  -4.361  -4.361
  262    H    VAL  31           HN       VAL  31 -15.076  -1.872  -1.872
  263    HA   VAL  31           HA       VAL  31 -17.996  -1.864  -1.864
  264    HB   VAL  31           HB       VAL  31 -16.623  -2.632  -2.632
  265   1HG1  VAL  31          HG13      VAL  31 -14.962  -0.775  -0.775
  266   2HG1  VAL  31          HG12      VAL  31 -16.229   0.339   0.339
  267   3HG1  VAL  31          HG11      VAL  31 -15.725  -0.970  -0.970
  268   1HG2  VAL  31          HG23      VAL  31 -19.056  -1.968  -1.968
  269   2HG2  VAL  31          HG22      VAL  31 -18.187  -1.807  -1.807
  270   3HG2  VAL  31          HG21      VAL  31 -18.535  -0.376  -0.376
  271    H    HIS  32           HN       HIS  32 -15.488   0.621   0.621
  272    HA   HIS  32           HA       HIS  32 -17.093   2.918   2.918
  273   1HB   HIS  32           HB2      HIS  32 -14.434   2.489   2.489
  274   2HB   HIS  32           HB1      HIS  32 -15.046   3.355   3.355
  275    HD1  HIS  32           HD1      HIS  32 -14.879   3.681   3.681
  276    HD2  HIS  32           HD2      HIS  32 -15.420   6.081   6.081
  277    HE1  HIS  32           HE1      HIS  32 -14.869   6.078   6.078
  278    H    ASN  33           HN       ASN  33 -16.912   0.917   0.917
  279    HA   ASN  33           HA       ASN  33 -18.309   2.925   2.925
  280   1HB   ASN  33           HB2      ASN  33 -16.474   1.143   1.143
  281   2HB   ASN  33           HB1      ASN  33 -17.875   0.086   0.086
  282   1HD2  ASN  33          HD21      ASN  33 -19.446   0.602   0.602
  283   2HD2  ASN  33          HD22      ASN  33 -19.100   1.751   1.751
  284    H    PHE  34           HN       PHE  34 -19.910   2.364   2.364
  285    HA   PHE  34           HA       PHE  34 -22.165   0.826   0.826
  286   1HB   PHE  34           HB2      PHE  34 -20.955   0.552   0.552
  287   2HB   PHE  34           HB1      PHE  34 -22.684   0.281   0.281
  288    HD1  PHE  34           HD2      PHE  34 -19.308  -0.911  -0.911
  289    HD2  PHE  34           HD1      PHE  34 -23.529  -1.615  -1.615
  290    HE1  PHE  34           HE2      PHE  34 -18.854  -3.187  -3.187
  291    HE2  PHE  34           HE1      PHE  34 -23.072  -3.891  -3.891
  292    HZ   PHE  34           HZ       PHE  34 -20.735  -4.676  -4.676
  293    H    VAL  35           HN       VAL  35 -22.249   3.358   3.358
  294    HA   VAL  35           HA       VAL  35 -23.961   4.672   4.672
  295    HB   VAL  35           HB       VAL  35 -22.120   6.072   6.072
  296   1HG1  VAL  35          HG12      VAL  35 -24.055   6.995   6.995
  297   2HG1  VAL  35          HG11      VAL  35 -22.610   7.956   7.956
  298   3HG1  VAL  35          HG13      VAL  35 -23.764   7.645   7.645
  299   1HG2  VAL  35          HG21      VAL  35 -21.794   5.455   5.455
  300   2HG2  VAL  35          HG23      VAL  35 -20.727   4.974   4.974
  301   3HG2  VAL  35          HG22      VAL  35 -20.832   6.669   6.669
  302    H    ALA  36           HN       ALA  36 -23.224   5.038   5.038
  303    HA   ALA  36           HA       ALA  36 -24.606   5.332   5.332
  304   1HB   ALA  36           HB3      ALA  36 -25.321   3.028   3.028
  305   2HB   ALA  36           HB2      ALA  36 -26.692   3.806   3.806
  306   3HB   ALA  36           HB1      ALA  36 -26.520   3.893   3.893
  307    H    LEU  37           HN       LEU  37 -24.622   7.515   7.515
  308    HA   LEU  37           HA       LEU  37 -26.983   8.939   8.939
  309   1HB   LEU  37           HB2      LEU  37 -27.888   9.465   9.465
  310   2HB   LEU  37           HB1      LEU  37 -28.120   7.791   7.791
  311    HG   LEU  37           HG       LEU  37 -25.700   7.615   7.615
  312   1HD1  LEU  37          HD13      LEU  37 -27.291   9.823   9.823
  313   2HD1  LEU  37          HD12      LEU  37 -26.053   8.892   8.892
  314   3HD1  LEU  37          HD11      LEU  37 -25.615   9.882   9.882
  315   1HD2  LEU  37          HD21      LEU  37 -27.788   6.246   6.246
  316   2HD2  LEU  37          HD23      LEU  37 -26.924   6.596   6.596
  317   3HD2  LEU  37          HD22      LEU  37 -28.380   7.503   7.503
  318    H    GLY  38           HN       GLY  38 -26.914  11.239  11.239
  319   1HA   GLY  38           HA2      GLY  38 -25.847  13.208  13.208
  320   2HA   GLY  38           HA1      GLY  38 -24.471  12.225  12.225
  321    H    ALA  39           HN       ALA  39 -23.144  11.277  11.277
  322    HA   ALA  39           HA       ALA  39 -22.721  13.360  13.360
  323   1HB   ALA  39           HB2      ALA  39 -20.762  12.590  12.590
  324   2HB   ALA  39           HB1      ALA  39 -21.039  10.940  10.940
  325   3HB   ALA  39           HB3      ALA  39 -20.582  12.196  12.196

  Start of MODEL    6
    1   1H    SER   1           HT2      SER   1  17.606  -2.840  -2.840
    2   2H    SER   1           HT1      SER   1  16.280  -1.775  -1.775
    3   3H    SER   1           HT3      SER   1  16.809  -2.408  -2.408
    4    HA   SER   1           HA       SER   1  14.823  -3.550  -3.550
    5   1HB   SER   1           HB2      SER   1  16.392  -4.157  -4.157
    6   2HB   SER   1           HB1      SER   1  14.844  -4.888  -4.888
    7    HG   SER   1           HG       SER   1  13.941  -3.151  -3.151
    8    H    VAL   2           HN       VAL   2  15.900  -4.402  -4.402
    9    HA   VAL   2           HA       VAL   2  16.910  -7.158  -7.158
   10    HB   VAL   2           HB       VAL   2  18.615  -6.719  -6.719
   11   1HG1  VAL   2          HG13      VAL   2  19.137  -7.219  -7.219
   12   2HG1  VAL   2          HG12      VAL   2  19.174  -5.483  -5.483
   13   3HG1  VAL   2          HG11      VAL   2  20.342  -6.210  -6.210
   14   1HG2  VAL   2          HG22      VAL   2  18.060  -3.892  -3.892
   15   2HG2  VAL   2          HG21      VAL   2  18.083  -4.492  -4.492
   16   3HG2  VAL   2          HG23      VAL   2  19.587  -4.349  -4.349
   17    H    SER   3           HN       SER   3  16.081  -4.790  -4.790
   18    HA   SER   3           HA       SER   3  14.022  -6.554  -6.554
   19   1HB   SER   3           HB2      SER   3  16.257  -7.478  -7.478
   20   2HB   SER   3           HB1      SER   3  16.356  -5.998  -5.998
   21    HG   SER   3           HG       SER   3  15.301  -7.480  -7.480
   22    H    GLU   4           HN       GLU   4  13.038  -4.435  -4.435
   23    HA   GLU   4           HA       GLU   4  13.437  -2.271  -2.271
   24   1HB   GLU   4           HB2      GLU   4  12.225  -2.088  -2.088
   25   2HB   GLU   4           HB1      GLU   4  12.496  -0.739  -0.739
   26   1HG   GLU   4           HG2      GLU   4  14.557  -0.511  -0.511
   27   2HG   GLU   4           HG1      GLU   4  14.986  -2.060  -2.060
   28    H    ILE   5           HN       ILE   5  11.239  -4.766  -4.766
   29    HA   ILE   5           HA       ILE   5   9.148  -5.297  -5.297
   30    HB   ILE   5           HB       ILE   5   9.182  -2.596  -2.596
   31   1HG1  ILE   5          HG12      ILE   5   9.598  -4.887  -4.887
   32   2HG1  ILE   5          HG11      ILE   5  10.820  -4.883  -4.883
   33   1HG2  ILE   5          HG22      ILE   5   7.518  -5.103  -5.103
   34   2HG2  ILE   5          HG21      ILE   5   7.552  -3.766  -3.766
   35   3HG2  ILE   5          HG23      ILE   5   6.943  -3.509  -3.509
   36   1HD1  ILE   5          HD13      ILE   5  10.151  -2.463  -2.463
   37   2HD1  ILE   5          HD12      ILE   5  11.475  -3.574  -3.574
   38   3HD1  ILE   5          HD11      ILE   5  11.488  -2.625  -2.625
   39    H    GLN   6           HN       GLN   6   9.029  -1.744  -1.744
   40    HA   GLN   6           HA       GLN   6   6.455  -1.904  -1.904
   41   1HB   GLN   6           HB2      GLN   6   8.508   0.180   0.180
   42   2HB   GLN   6           HB1      GLN   6   7.552   0.395   0.395
   43   1HG   GLN   6           HG2      GLN   6   6.250  -0.205  -0.205
   44   2HG   GLN   6           HG1      GLN   6   6.624   1.445   1.445
   45   1HE2  GLN   6          HE21      GLN   6   5.383   2.369   2.369
   46   2HE2  GLN   6          HE22      GLN   6   3.993   1.601   1.601
   47    H    LEU   7           HN       LEU   7   9.815  -2.050  -2.050
   48    HA   LEU   7           HA       LEU   7   9.189  -1.898  -1.898
   49   1HB   LEU   7           HB2      LEU   7  11.517  -1.761  -1.761
   50   2HB   LEU   7           HB1      LEU   7  11.456  -3.513  -3.513
   51    HG   LEU   7           HG       LEU   7  10.657  -2.815  -2.815
   52   1HD1  LEU   7          HD13      LEU   7  12.256  -0.838  -0.838
   53   2HD1  LEU   7          HD12      LEU   7  13.508  -2.037  -2.037
   54   3HD1  LEU   7          HD11      LEU   7  12.404  -1.551  -1.551
   55   1HD2  LEU   7          HD21      LEU   7  13.008  -4.315  -4.315
   56   2HD2  LEU   7          HD23      LEU   7  11.495  -5.005  -5.005
   57   3HD2  LEU   7          HD22      LEU   7  12.633  -4.286  -4.286
   58    H    MET   8           HN       MET   8   9.508  -4.719  -4.719
   59    HA   MET   8           HA       MET   8   8.821  -6.725  -6.725
   60   1HB   MET   8           HB2      MET   8   8.844  -6.651  -6.651
   61   2HB   MET   8           HB1      MET   8   8.163  -8.038  -8.038
   62   1HG   MET   8           HG2      MET   8  10.302  -8.813  -8.813
   63   2HG   MET   8           HG1      MET   8  10.530  -7.695  -7.695
   64   1HE   MET   8           HE2      MET   8  12.097  -6.020  -6.020
   65   2HE   MET   8           HE1      MET   8  13.368  -5.751  -5.751
   66   3HE   MET   8           HE3      MET   8  13.119  -7.362  -7.362
   67    H    HIS   9           HN       HIS   9   6.879  -4.815  -4.815
   68    HA   HIS   9           HA       HIS   9   4.343  -6.066  -6.066
   69   1HB   HIS   9           HB2      HIS   9   4.787  -4.413  -4.413
   70   2HB   HIS   9           HB1      HIS   9   4.965  -3.142  -3.142
   71    HD1  HIS   9           HD1      HIS   9   2.319  -5.654  -5.654
   72    HD2  HIS   9           HD2      HIS   9   2.581  -1.881  -1.881
   73    HE1  HIS   9           HE1      HIS   9  -0.055  -4.796  -4.796
   74    H    ASN  10           HN       ASN  10   5.880  -3.349  -3.349
   75    HA   ASN  10           HA       ASN  10   3.695  -3.422  -3.422
   76   1HB   ASN  10           HB2      ASN  10   5.991  -1.460  -1.460
   77   2HB   ASN  10           HB1      ASN  10   4.728  -1.316  -1.316
   78   1HD2  ASN  10          HD21      ASN  10   5.319  -1.175  -1.175
   79   2HD2  ASN  10          HD22      ASN  10   3.868  -0.376  -0.376
   80    H    LEU  11           HN       LEU  11   4.728  -5.685  -5.685
   81    HA   LEU  11           HA       LEU  11   6.478  -5.395  -5.395
   82   1HB   LEU  11           HB2      LEU  11   7.727  -5.837  -5.837
   83   2HB   LEU  11           HB1      LEU  11   7.468  -7.489  -7.489
   84    HG   LEU  11           HG       LEU  11   8.435  -6.695  -6.695
   85   1HD1  LEU  11          HD11      LEU  11   9.307  -4.445  -4.445
   86   2HD1  LEU  11          HD13      LEU  11  10.068  -4.788  -4.788
   87   3HD1  LEU  11          HD12      LEU  11   8.375  -4.299  -4.299
   88   1HD2  LEU  11          HD21      LEU  11   9.618  -8.186  -8.186
   89   2HD2  LEU  11          HD23      LEU  11  10.738  -7.074  -7.074
   90   3HD2  LEU  11          HD22      LEU  11  10.220  -6.777  -6.777
   91    H    GLY  12           HN       GLY  12   4.276  -6.102  -6.102
   92   1HA   GLY  12           HA2      GLY  12   3.610  -8.968  -8.968
   93   2HA   GLY  12           HA1      GLY  12   2.644  -7.808  -7.808
   94    H    LYS  13           HN       LYS  13   5.784  -9.519  -9.519
   95    HA   LYS  13           HA       LYS  13   7.013 -10.466 -10.466
   96   1HB   LYS  13           HB2      LYS  13   4.288 -10.370 -10.370
   97   2HB   LYS  13           HB1      LYS  13   5.618 -10.453 -10.453
   98   1HG   LYS  13           HG2      LYS  13   6.535 -12.377 -12.377
   99   2HG   LYS  13           HG1      LYS  13   4.969 -12.387 -12.387
  100   1HD   LYS  13           HD2      LYS  13   3.853 -12.697 -12.697
  101   2HD   LYS  13           HD1      LYS  13   5.437 -12.755 -12.755
  102   1HE   LYS  13           HE2      LYS  13   5.116 -15.016 -15.016
  103   2HE   LYS  13           HE1      LYS  13   5.860 -14.635 -14.635
  104   1HZ   LYS  13           HZ2      LYS  13   3.639 -14.383 -14.383
  105   2HZ   LYS  13           HZ1      LYS  13   2.936 -14.780 -14.780
  106   3HZ   LYS  13           HZ3      LYS  13   3.851 -15.935 -15.935
  107    H    HIS  14           HN       HIS  14   5.117  -8.073  -8.073
  108    HA   HIS  14           HA       HIS  14   7.646  -6.516  -6.516
  109   1HB   HIS  14           HB2      HIS  14   6.815  -5.910  -5.910
  110   2HB   HIS  14           HB1      HIS  14   6.975  -7.655  -7.655
  111    HD1  HIS  14           HD1      HIS  14   4.393  -4.924  -4.924
  112    HD2  HIS  14           HD2      HIS  14   4.516  -9.087  -9.087
  113    HE1  HIS  14           HE1      HIS  14   2.062  -5.740  -5.740
  114    H    LEU  15           HN       LEU  15   4.978  -6.322  -6.322
  115    HA   LEU  15           HA       LEU  15   4.153  -3.582  -3.582
  116   1HB   LEU  15           HB2      LEU  15   2.905  -5.848  -5.848
  117   2HB   LEU  15           HB1      LEU  15   2.789  -4.414  -4.414
  118    HG   LEU  15           HG       LEU  15   1.808  -3.144  -3.144
  119   1HD1  LEU  15          HD11      LEU  15   2.251  -5.689  -5.689
  120   2HD1  LEU  15          HD13      LEU  15   1.123  -4.436  -4.436
  121   3HD1  LEU  15          HD12      LEU  15   2.841  -4.070  -4.070
  122   1HD2  LEU  15          HD22      LEU  15   0.573  -5.157  -5.157
  123   2HD2  LEU  15          HD21      LEU  15  -0.257  -3.957  -3.957
  124   3HD2  LEU  15          HD23      LEU  15   0.125  -5.538  -5.538
  125    H    ASN  16           HN       ASN  16   6.007  -2.444  -2.444
  126    HA   ASN  16           HA       ASN  16   7.208  -2.664  -2.664
  127   1HB   ASN  16           HB2      ASN  16   7.740  -0.708  -0.708
  128   2HB   ASN  16           HB1      ASN  16   8.716  -0.863  -0.863
  129   1HD2  ASN  16          HD21      ASN  16   7.953  -2.384  -2.384
  130   2HD2  ASN  16          HD22      ASN  16   9.137  -3.595  -3.595
  131    H    SER  17           HN       SER  17   5.713   0.183   0.183
  132    HA   SER  17           HA       SER  17   4.453   0.965   0.965
  133   1HB   SER  17           HB2      SER  17   5.428   3.309   3.309
  134   2HB   SER  17           HB1      SER  17   6.554   2.054   2.054
  135    HG   SER  17           HG       SER  17   7.530   2.141   2.141
  136    H    MET  18           HN       MET  18   5.115   2.858   2.858
  137    HA   MET  18           HA       MET  18   2.449   3.906   3.906
  138   1HB   MET  18           HB2      MET  18   3.029   4.690   4.690
  139   2HB   MET  18           HB1      MET  18   4.303   5.051   5.051
  140   1HG   MET  18           HG2      MET  18   5.563   3.052   3.052
  141   2HG   MET  18           HG1      MET  18   4.294   2.729   2.729
  142   1HE   MET  18           HE2      MET  18   7.498   4.361   4.361
  143   2HE   MET  18           HE1      MET  18   7.559   5.896   5.896
  144   3HE   MET  18           HE3      MET  18   6.501   5.708   5.708
  145    H    GLU  19           HN       GLU  19   3.883   1.067   1.067
  146    HA   GLU  19           HA       GLU  19   1.545   0.433   0.433
  147   1HB   GLU  19           HB2      GLU  19   2.653  -1.763  -1.763
  148   2HB   GLU  19           HB1      GLU  19   3.727  -0.410  -0.410
  149   1HG   GLU  19           HG2      GLU  19   3.816  -1.416  -1.416
  150   2HG   GLU  19           HG1      GLU  19   4.376  -2.546  -2.546
  151    H    ARG  20           HN       ARG  20   2.432  -0.188  -0.188
  152    HA   ARG  20           HA       ARG  20   0.375  -2.249  -2.249
  153   1HB   ARG  20           HB2      ARG  20   2.671  -2.001  -2.001
  154   2HB   ARG  20           HB1      ARG  20   1.755  -0.884  -0.884
  155   1HG   ARG  20           HG2      ARG  20   0.077  -2.659  -2.659
  156   2HG   ARG  20           HG1      ARG  20   1.021  -3.773  -3.773
  157   1HD   ARG  20           HD2      ARG  20   1.748  -4.287  -4.287
  158   2HD   ARG  20           HD1      ARG  20   2.980  -3.151  -3.151
  159    HE   ARG  20           HE       ARG  20   2.061  -1.487  -1.487
  160   1HH1  ARG  20          HH21      ARG  20  -0.841  -1.950  -1.950
  161   2HH1  ARG  20          HH22      ARG  20  -1.277  -2.665  -2.665
  162   1HH2  ARG  20          HH11      ARG  20   2.006  -3.472  -3.472
  163   2HH2  ARG  20          HH12      ARG  20   0.351  -3.532  -3.532
  164    H    VAL  21           HN       VAL  21   0.887   1.002   1.002
  165    HA   VAL  21           HA       VAL  21  -1.605   1.327   1.327
  166    HB   VAL  21           HB       VAL  21   0.253   2.954   2.954
  167   1HG1  VAL  21          HG11      VAL  21   0.733   2.729   2.729
  168   2HG1  VAL  21          HG13      VAL  21  -0.462   4.007   4.007
  169   3HG1  VAL  21          HG12      VAL  21   0.994   4.295   4.295
  170   1HG2  VAL  21          HG23      VAL  21  -2.302   3.611   3.611
  171   2HG2  VAL  21          HG22      VAL  21  -1.061   4.863   4.863
  172   3HG2  VAL  21          HG21      VAL  21  -1.968   4.562   4.562
  173    H    GLU  22           HN       GLU  22  -0.873   1.877   1.877
  174    HA   GLU  22           HA       GLU  22  -3.584   2.735   2.735
  175   1HB   GLU  22           HB2      GLU  22  -1.196   2.802   2.802
  176   2HB   GLU  22           HB1      GLU  22  -2.091   1.538   1.538
  177   1HG   GLU  22           HG2      GLU  22  -3.047   4.374   4.374
  178   2HG   GLU  22           HG1      GLU  22  -2.589   3.705   3.705
  179    H    TRP  23           HN       TRP  23  -1.843  -0.383  -0.383
  180    HA   TRP  23           HA       TRP  23  -3.776  -2.061  -2.061
  181   1HB   TRP  23           HB2      TRP  23  -1.498  -2.790  -2.790
  182   2HB   TRP  23           HB1      TRP  23  -1.973  -2.633  -2.633
  183    HD1  TRP  23           HD1      TRP  23  -1.577  -5.026  -5.026
  184    HE1  TRP  23           HE1      TRP  23  -2.711  -7.277  -7.277
  185    HE3  TRP  23           HE3      TRP  23  -4.530  -3.694  -3.694
  186    HZ2  TRP  23           HZ2      TRP  23  -4.586  -8.344  -8.344
  187    HZ3  TRP  23           HZ3      TRP  23  -5.994  -5.336  -5.336
  188    HH2  TRP  23           HH2      TRP  23  -6.023  -7.679  -7.679
  189    H    LEU  24           HN       LEU  24  -3.387  -1.144  -1.144
  190    HA   LEU  24           HA       LEU  24  -5.777  -2.496  -2.496
  191   1HB   LEU  24           HB2      LEU  24  -3.815  -0.514  -0.514
  192   2HB   LEU  24           HB1      LEU  24  -5.190  -1.128  -1.128
  193    HG   LEU  24           HG       LEU  24  -3.159  -2.385  -2.385
  194   1HD1  LEU  24          HD12      LEU  24  -5.460  -3.720  -3.720
  195   2HD1  LEU  24          HD11      LEU  24  -4.042  -4.731  -4.731
  196   3HD1  LEU  24          HD13      LEU  24  -4.823  -3.929  -3.929
  197   1HD2  LEU  24          HD22      LEU  24  -2.941  -2.954  -2.954
  198   2HD2  LEU  24          HD21      LEU  24  -1.705  -2.383  -2.383
  199   3HD2  LEU  24          HD23      LEU  24  -2.255  -4.048  -4.048
  200    H    ARG  25           HN       ARG  25  -5.047   0.822   0.822
  201    HA   ARG  25           HA       ARG  25  -7.505   2.050   2.050
  202   1HB   ARG  25           HB2      ARG  25  -5.283   2.750   2.750
  203   2HB   ARG  25           HB1      ARG  25  -6.826   3.513   3.513
  204   1HG   ARG  25           HG2      ARG  25  -6.787   4.803   4.803
  205   2HG   ARG  25           HG1      ARG  25  -6.013   3.552   3.552
  206   1HD   ARG  25           HD2      ARG  25  -4.581   5.603   5.603
  207   2HD   ARG  25           HD1      ARG  25  -3.854   4.059   4.059
  208    HE   ARG  25           HE       ARG  25  -3.826   4.765   4.765
  209   1HH1  ARG  25          HH11      ARG  25  -4.169   7.603   7.603
  210   2HH1  ARG  25          HH12      ARG  25  -5.405   8.235   8.235
  211   1HH2  ARG  25          HH21      ARG  25  -6.264   5.117   5.117
  212   2HH2  ARG  25          HH22      ARG  25  -6.608   6.814   6.814
  213    H    LYS  26           HN       LYS  26  -6.462   0.822   0.822
  214    HA   LYS  26           HA       LYS  26  -9.039   1.133   1.133
  215   1HB   LYS  26           HB2      LYS  26  -6.403   0.324   0.324
  216   2HB   LYS  26           HB1      LYS  26  -7.522  -0.939  -0.939
  217   1HG   LYS  26           HG2      LYS  26  -8.151   1.966   1.966
  218   2HG   LYS  26           HG1      LYS  26  -7.093   1.066   1.066
  219   1HD   LYS  26           HD2      LYS  26  -9.000   0.411   0.411
  220   2HD   LYS  26           HD1      LYS  26  -9.205  -0.686  -0.686
  221   1HE   LYS  26           HE2      LYS  26 -10.174   1.788   1.788
  222   2HE   LYS  26           HE1      LYS  26 -10.775   1.655   1.655
  223   1HZ   LYS  26           HZ2      LYS  26 -11.637  -0.551  -0.551
  224   2HZ   LYS  26           HZ1      LYS  26 -11.085  -0.384  -0.384
  225   3HZ   LYS  26           HZ3      LYS  26 -12.304   0.638   0.638
  226    H    LYS  27           HN       LYS  27  -7.349  -1.754  -1.754
  227    HA   LYS  27           HA       LYS  27  -9.339  -3.690  -3.690
  228   1HB   LYS  27           HB2      LYS  27  -7.025  -4.158  -4.158
  229   2HB   LYS  27           HB1      LYS  27  -7.580  -3.637  -3.637
  230   1HG   LYS  27           HG2      LYS  27  -8.195  -5.774  -5.774
  231   2HG   LYS  27           HG1      LYS  27  -9.528  -5.454  -5.454
  232   1HD   LYS  27           HD2      LYS  27  -6.881  -6.786  -6.786
  233   2HD   LYS  27           HD1      LYS  27  -8.493  -7.434  -7.434
  234   1HE   LYS  27           HE2      LYS  27  -7.332  -5.111  -5.111
  235   2HE   LYS  27           HE1      LYS  27  -7.357  -6.777  -6.777
  236   1HZ   LYS  27           HZ3      LYS  27  -9.912  -5.614  -5.614
  237   2HZ   LYS  27           HZ2      LYS  27  -9.268  -5.100  -5.100
  238   3HZ   LYS  27           HZ1      LYS  27  -9.585  -6.745  -6.745
  239    H    LEU  28           HN       LEU  28  -9.080  -1.510  -1.510
  240    HA   LEU  28           HA       LEU  28 -11.322  -2.586  -2.586
  241   1HB   LEU  28           HB2      LEU  28  -9.544  -0.964  -0.964
  242   2HB   LEU  28           HB1      LEU  28 -10.435   0.315   0.315
  243    HG   LEU  28           HG       LEU  28 -12.073  -1.481  -1.481
  244   1HD1  LEU  28          HD12      LEU  28 -10.032  -1.247  -1.247
  245   2HD1  LEU  28          HD11      LEU  28 -10.121   0.506   0.506
  246   3HD1  LEU  28          HD13      LEU  28 -11.382  -0.360  -0.360
  247   1HD2  LEU  28          HD22      LEU  28 -11.847   1.513   1.513
  248   2HD2  LEU  28          HD21      LEU  28 -13.110   0.436   0.436
  249   3HD2  LEU  28          HD23      LEU  28 -12.990   0.784   0.784
  250    H    GLN  29           HN       GLN  29 -11.103   0.097   0.097
  251    HA   GLN  29           HA       GLN  29 -14.069   0.317   0.317
  252   1HB   GLN  29           HB2      GLN  29 -11.896   2.020   2.020
  253   2HB   GLN  29           HB1      GLN  29 -13.618   2.311   2.311
  254   1HG   GLN  29           HG2      GLN  29 -12.336   2.157   2.157
  255   2HG   GLN  29           HG1      GLN  29 -12.552   3.670   3.670
  256   1HE2  GLN  29          HE21      GLN  29 -14.722   4.552   4.552
  257   2HE2  GLN  29          HE22      GLN  29 -16.032   3.868   3.868
  258    H    ASP  30           HN       ASP  30 -12.525  -2.023  -2.023
  259    HA   ASP  30           HA       ASP  30 -13.064  -1.668  -1.668
  260   1HB   ASP  30           HB2      ASP  30 -11.607  -3.603  -3.603
  261   2HB   ASP  30           HB1      ASP  30 -12.604  -4.394  -4.394
  262    H    VAL  31           HN       VAL  31 -14.306  -3.737  -3.737
  263    HA   VAL  31           HA       VAL  31 -16.757  -4.262  -4.262
  264    HB   VAL  31           HB       VAL  31 -16.133  -5.558  -5.558
  265   1HG1  VAL  31          HG11      VAL  31 -17.869  -6.190  -6.190
  266   2HG1  VAL  31          HG13      VAL  31 -17.494  -7.397  -7.397
  267   3HG1  VAL  31          HG12      VAL  31 -18.376  -5.936  -5.936
  268   1HG2  VAL  31          HG22      VAL  31 -15.089  -6.253  -6.253
  269   2HG2  VAL  31          HG21      VAL  31 -14.192  -6.148  -6.148
  270   3HG2  VAL  31          HG23      VAL  31 -15.296  -7.492  -7.492
  271    H    HIS  32           HN       HIS  32 -15.671  -2.785  -2.785
  272    HA   HIS  32           HA       HIS  32 -18.254  -2.246  -2.246
  273   1HB   HIS  32           HB2      HIS  32 -15.578  -0.862  -0.862
  274   2HB   HIS  32           HB1      HIS  32 -17.012  -0.311  -0.311
  275    HD1  HIS  32           HD1      HIS  32 -17.764  -1.650  -1.650
  276    HD2  HIS  32           HD2      HIS  32 -14.713  -3.540  -3.540
  277    HE1  HIS  32           HE1      HIS  32 -17.009  -3.605  -3.605
  278    H    ASN  33           HN       ASN  33 -16.144  -0.237  -0.237
  279    HA   ASN  33           HA       ASN  33 -18.383   1.670   1.670
  280   1HB   ASN  33           HB2      ASN  33 -15.793   2.221   2.221
  281   2HB   ASN  33           HB1      ASN  33 -15.732   1.916   1.916
  282   1HD2  ASN  33          HD21      ASN  33 -17.010   3.368   3.368
  283   2HD2  ASN  33          HD22      ASN  33 -17.560   4.865   4.865
  284    H    PHE  34           HN       PHE  34 -19.236  -0.634  -0.634
  285    HA   PHE  34           HA       PHE  34 -19.459  -0.313  -0.313
  286   1HB   PHE  34           HB2      PHE  34 -17.293  -1.536  -1.536
  287   2HB   PHE  34           HB1      PHE  34 -18.088  -2.808  -2.808
  288    HD1  PHE  34           HD1      PHE  34 -18.057  -1.065  -1.065
  289    HD2  PHE  34           HD2      PHE  34 -19.313  -4.532  -4.532
  290    HE1  PHE  34           HE1      PHE  34 -18.743  -2.164  -2.164
  291    HE2  PHE  34           HE2      PHE  34 -19.998  -5.629  -5.629
  292    HZ   PHE  34           HZ       PHE  34 -19.712  -4.445  -4.445
  293    H    VAL  35           HN       VAL  35 -19.812  -2.873  -2.873
  294    HA   VAL  35           HA       VAL  35 -22.733  -2.898  -2.898
  295    HB   VAL  35           HB       VAL  35 -21.841  -4.726  -4.726
  296   1HG1  VAL  35          HG11      VAL  35 -19.769  -5.044  -5.044
  297   2HG1  VAL  35          HG13      VAL  35 -20.805  -6.085  -6.085
  298   3HG1  VAL  35          HG12      VAL  35 -20.493  -6.485  -6.485
  299   1HG2  VAL  35          HG21      VAL  35 -24.009  -4.999  -4.999
  300   2HG2  VAL  35          HG23      VAL  35 -23.222  -6.513  -6.513
  301   3HG2  VAL  35          HG22      VAL  35 -23.110  -5.915  -5.915
  302    H    ALA  36           HN       ALA  36 -20.229  -4.298  -4.298
  303    HA   ALA  36           HA       ALA  36 -21.333  -3.105  -3.105
  304   1HB   ALA  36           HB3      ALA  36 -22.419  -5.833  -5.833
  305   2HB   ALA  36           HB2      ALA  36 -22.221  -5.360  -5.360
  306   3HB   ALA  36           HB1      ALA  36 -23.274  -4.425  -4.425
  307    H    LEU  37           HN       LEU  37 -20.149  -6.462  -6.462
  308    HA   LEU  37           HA       LEU  37 -17.502  -5.881  -5.881
  309   1HB   LEU  37           HB2      LEU  37 -19.334  -6.295  -6.295
  310   2HB   LEU  37           HB1      LEU  37 -18.980  -7.979  -7.979
  311    HG   LEU  37           HG       LEU  37 -16.643  -6.153  -6.153
  312   1HD1  LEU  37          HD12      LEU  37 -18.223  -5.540  -5.540
  313   2HD1  LEU  37          HD11      LEU  37 -18.206  -7.228  -7.228
  314   3HD1  LEU  37          HD13      LEU  37 -16.724  -6.272  -6.272
  315   1HD2  LEU  37          HD21      LEU  37 -17.353  -9.028  -9.028
  316   2HD2  LEU  37          HD23      LEU  37 -16.047  -8.388  -8.388
  317   3HD2  LEU  37          HD22      LEU  37 -15.942  -8.290  -8.290
  318    H    GLY  38           HN       GLY  38 -16.011  -7.431  -7.431
  319   1HA   GLY  38           HA2      GLY  38 -17.087  -9.916  -9.916
  320   2HA   GLY  38           HA1      GLY  38 -15.792  -8.972  -8.972
  321    H    ALA  39           HN       ALA  39 -16.529 -10.439 -10.439
  322    HA   ALA  39           HA       ALA  39 -14.048 -11.991 -11.991
  323   1HB   ALA  39           HB2      ALA  39 -13.215  -9.753  -9.753
  324   2HB   ALA  39           HB1      ALA  39 -14.350  -9.759  -9.759
  325   3HB   ALA  39           HB3      ALA  39 -13.043 -10.941 -10.941

  Start of MODEL    7
    1   1H    SER   1           HT1      SER   1  18.677  11.588  11.588
    2   2H    SER   1           HT3      SER   1  20.173  12.037  12.037
    3   3H    SER   1           HT2      SER   1  19.559  12.867  12.867
    4    HA   SER   1           HA       SER   1  19.746  10.875  10.875
    5   1HB   SER   1           HB2      SER   1  22.276  11.712  11.712
    6   2HB   SER   1           HB1      SER   1  22.258  10.755  10.755
    7    HG   SER   1           HG       SER   1  22.391  12.800  12.800
    8    H    VAL   2           HN       VAL   2  18.552   9.151   9.151
    9    HA   VAL   2           HA       VAL   2  20.239   6.939   6.939
   10    HB   VAL   2           HB       VAL   2  20.162   8.106   8.106
   11   1HG1  VAL   2          HG12      VAL   2  17.921   9.257   9.257
   12   2HG1  VAL   2          HG11      VAL   2  17.159   7.758   7.758
   13   3HG1  VAL   2          HG13      VAL   2  18.169   8.677   8.677
   14   1HG2  VAL   2          HG22      VAL   2  20.034   5.583   5.583
   15   2HG2  VAL   2          HG21      VAL   2  19.402   6.282   6.282
   16   3HG2  VAL   2          HG23      VAL   2  18.292   5.724   5.724
   17    H    SER   3           HN       SER   3  16.834   8.136   8.136
   18    HA   SER   3           HA       SER   3  16.049   5.713   5.713
   19   1HB   SER   3           HB2      SER   3  15.667   5.293   5.293
   20   2HB   SER   3           HB1      SER   3  14.495   6.607   6.607
   21    HG   SER   3           HG       SER   3  13.139   5.360   5.360
   22    H    GLU   4           HN       GLU   4  16.079   7.520   7.520
   23    HA   GLU   4           HA       GLU   4  13.501   9.045   9.045
   24   1HB   GLU   4           HB2      GLU   4  16.270   9.949   9.949
   25   2HB   GLU   4           HB1      GLU   4  14.815  10.772  10.772
   26   1HG   GLU   4           HG2      GLU   4  14.867  11.969  11.969
   27   2HG   GLU   4           HG1      GLU   4  14.426  10.492  10.492
   28    H    ILE   5           HN       ILE   5  13.909   6.419   6.419
   29    HA   ILE   5           HA       ILE   5  14.336   6.663   6.663
   30    HB   ILE   5           HB       ILE   5  13.379   4.313   4.313
   31   1HG1  ILE   5          HG12      ILE   5  13.481   4.475   4.475
   32   2HG1  ILE   5          HG11      ILE   5  11.985   4.565   4.565
   33   1HG2  ILE   5          HG23      ILE   5  15.808   4.865   4.865
   34   2HG2  ILE   5          HG22      ILE   5  15.624   4.726   4.726
   35   3HG2  ILE   5          HG21      ILE   5  15.368   3.316   3.316
   36   1HD1  ILE   5          HD12      ILE   5  12.647   2.343   2.343
   37   2HD1  ILE   5          HD11      ILE   5  13.918   2.246   2.246
   38   3HD1  ILE   5          HD13      ILE   5  12.224   2.278   2.278
   39    H    GLN   6           HN       GLN   6  11.459   6.531   6.531
   40    HA   GLN   6           HA       GLN   6   9.240   7.106   7.106
   41   1HB   GLN   6           HB2      GLN   6  10.468   8.695   8.695
   42   2HB   GLN   6           HB1      GLN   6   8.780   8.831   8.831
   43   1HG   GLN   6           HG2      GLN   6   9.304   9.815   9.815
   44   2HG   GLN   6           HG1      GLN   6  10.920   9.110   9.110
   45   1HE2  GLN   6          HE21      GLN   6  12.592  10.113  10.113
   46   2HE2  GLN   6          HE22      GLN   6  12.387  11.714  11.714
   47    H    LEU   7           HN       LEU   7  10.111   6.975   6.975
   48    HA   LEU   7           HA       LEU   7   7.778   5.534   5.534
   49   1HB   LEU   7           HB2      LEU   7   9.608   6.838   6.838
   50   2HB   LEU   7           HB1      LEU   7  10.318   5.233   5.233
   51    HG   LEU   7           HG       LEU   7   7.377   5.575   5.575
   52   1HD1  LEU   7          HD11      LEU   7   8.483   7.386   7.386
   53   2HD1  LEU   7          HD13      LEU   7   9.580   6.204   6.204
   54   3HD1  LEU   7          HD12      LEU   7   7.854   6.134   6.134
   55   1HD2  LEU   7          HD22      LEU   7   9.606   3.764   3.764
   56   2HD2  LEU   7          HD21      LEU   7   8.150   3.318   3.318
   57   3HD2  LEU   7          HD23      LEU   7   8.035   3.817   3.817
   58    H    MET   8           HN       MET   8  11.141   4.264   4.264
   59    HA   MET   8           HA       MET   8  10.494   1.512   1.512
   60   1HB   MET   8           HB2      MET   8  12.752   2.926   2.926
   61   2HB   MET   8           HB1      MET   8  12.619   1.172   1.172
   62   1HG   MET   8           HG2      MET   8  12.701   0.957   0.957
   63   2HG   MET   8           HG1      MET   8  12.616   2.707   2.707
   64   1HE   MET   8           HE2      MET   8  14.763   0.585   0.585
   65   2HE   MET   8           HE1      MET   8  16.244   0.393   0.393
   66   3HE   MET   8           HE3      MET   8  14.739  -0.344  -0.344
   67    H    HIS   9           HN       HIS   9  10.352   3.498   3.498
   68    HA   HIS   9           HA       HIS   9   9.902   1.333   1.333
   69   1HB   HIS   9           HB2      HIS   9  10.454   3.848   3.848
   70   2HB   HIS   9           HB1      HIS   9   8.712   4.083   4.083
   71    HD1  HIS   9           HD1      HIS   9   7.326   2.188   2.188
   72    HD2  HIS   9           HD2      HIS   9  11.241   3.155   3.155
   73    HE1  HIS   9           HE1      HIS   9   7.608   1.480   1.480
   74    H    ASN  10           HN       ASN  10   7.624   3.506   3.506
   75    HA   ASN  10           HA       ASN  10   5.294   1.956   1.956
   76   1HB   ASN  10           HB2      ASN  10   5.652   4.446   4.446
   77   2HB   ASN  10           HB1      ASN  10   4.079   3.667   3.667
   78   1HD2  ASN  10          HD21      ASN  10   2.893   4.070   4.070
   79   2HD2  ASN  10          HD22      ASN  10   3.513   4.938   4.938
   80    H    LEU  11           HN       LEU  11   7.424   0.971   0.971
   81    HA   LEU  11           HA       LEU  11   5.469   0.363   0.363
   82   1HB   LEU  11           HB2      LEU  11   7.892   1.246   1.246
   83   2HB   LEU  11           HB1      LEU  11   8.395  -0.399  -0.399
   84    HG   LEU  11           HG       LEU  11   6.584  -1.077  -1.077
   85   1HD1  LEU  11          HD11      LEU  11   5.792   1.371   1.371
   86   2HD1  LEU  11          HD13      LEU  11   7.266   1.680   1.680
   87   3HD1  LEU  11          HD12      LEU  11   6.064   0.549   0.549
   88   1HD2  LEU  11          HD21      LEU  11   9.023  -1.395  -1.395
   89   2HD2  LEU  11          HD23      LEU  11   8.290  -0.895  -0.895
   90   3HD2  LEU  11          HD22      LEU  11   9.182   0.273   0.273
   91    H    GLY  12           HN       GLY  12   4.701  -0.972  -0.972
   92   1HA   GLY  12           HA2      GLY  12   4.043  -3.152  -3.152
   93   2HA   GLY  12           HA1      GLY  12   5.025  -3.784  -3.784
   94    H    LYS  13           HN       LYS  13   7.345  -3.977  -3.977
   95    HA   LYS  13           HA       LYS  13   9.185  -4.744  -4.744
   96   1HB   LYS  13           HB2      LYS  13   9.153  -2.281  -2.281
   97   2HB   LYS  13           HB1      LYS  13   8.370  -2.689  -2.689
   98   1HG   LYS  13           HG2      LYS  13  10.617  -4.423  -4.423
   99   2HG   LYS  13           HG1      LYS  13  11.173  -2.801  -2.801
  100   1HD   LYS  13           HD2      LYS  13   9.465  -3.239  -3.239
  101   2HD   LYS  13           HD1      LYS  13  11.196  -3.556  -3.556
  102   1HE   LYS  13           HE2      LYS  13  11.362  -1.342  -1.342
  103   2HE   LYS  13           HE1      LYS  13  11.156  -1.105  -1.105
  104   1HZ   LYS  13           HZ3      LYS  13   8.858  -1.265  -1.265
  105   2HZ   LYS  13           HZ2      LYS  13   9.630   0.193   0.193
  106   3HZ   LYS  13           HZ1      LYS  13   8.863  -0.702  -0.702
  107    H    HIS  14           HN       HIS  14   7.706  -4.088  -4.088
  108    HA   HIS  14           HA       HIS  14   7.006  -6.967  -6.967
  109   1HB   HIS  14           HB2      HIS  14   9.294  -5.601  -5.601
  110   2HB   HIS  14           HB1      HIS  14   8.240  -6.284  -6.284
  111    HD1  HIS  14           HD1      HIS  14  10.031  -7.347  -7.347
  112    HD2  HIS  14           HD2      HIS  14   8.493  -9.030  -9.030
  113    HE1  HIS  14           HE1      HIS  14  10.713  -9.786  -9.786
  114    H    LEU  15           HN       LEU  15   5.731  -3.966  -3.966
  115    HA   LEU  15           HA       LEU  15   4.085  -2.913  -2.913
  116   1HB   LEU  15           HB2      LEU  15   3.392  -5.771  -5.771
  117   2HB   LEU  15           HB1      LEU  15   2.586  -4.879  -4.879
  118    HG   LEU  15           HG       LEU  15   1.811  -3.196  -3.196
  119   1HD1  LEU  15          HD13      LEU  15   3.683  -3.385  -3.385
  120   2HD1  LEU  15          HD12      LEU  15   3.120  -4.991  -4.991
  121   3HD1  LEU  15          HD11      LEU  15   2.127  -3.575  -3.575
  122   1HD2  LEU  15          HD21      LEU  15   0.608  -5.439  -5.439
  123   2HD2  LEU  15          HD23      LEU  15   0.089  -4.498  -4.498
  124   3HD2  LEU  15          HD22      LEU  15   1.141  -5.896  -5.896
  125    H    ASN  16           HN       ASN  16   6.064  -2.338  -2.338
  126    HA   ASN  16           HA       ASN  16   6.273  -3.456  -3.456
  127   1HB   ASN  16           HB2      ASN  16   7.698  -1.007  -1.007
  128   2HB   ASN  16           HB1      ASN  16   8.183  -2.022  -2.022
  129   1HD2  ASN  16          HD21      ASN  16   8.766  -4.383  -4.383
  130   2HD2  ASN  16          HD22      ASN  16   9.474  -4.639  -4.639
  131    H    SER  17           HN       SER  17   5.513  -0.214  -0.214
  132    HA   SER  17           HA       SER  17   3.525   0.243   0.243
  133   1HB   SER  17           HB2      SER  17   6.224   1.468   1.468
  134   2HB   SER  17           HB1      SER  17   4.886   2.589   2.589
  135    HG   SER  17           HG       SER  17   5.595   0.293   0.293
  136    H    MET  18           HN       MET  18   5.471   2.136   2.136
  137    HA   MET  18           HA       MET  18   3.340   3.920   3.920
  138   1HB   MET  18           HB2      MET  18   6.020   3.229   3.229
  139   2HB   MET  18           HB1      MET  18   4.902   4.040   4.040
  140   1HG   MET  18           HG2      MET  18   5.820   5.904   5.904
  141   2HG   MET  18           HG1      MET  18   4.558   5.594   5.594
  142   1HE   MET  18           HE1      MET  18   4.864   4.448   4.448
  143   2HE   MET  18           HE3      MET  18   6.238   5.077   5.077
  144   3HE   MET  18           HE2      MET  18   5.218   6.174   6.174
  145    H    GLU  19           HN       GLU  19   4.164   0.701   0.701
  146    HA   GLU  19           HA       GLU  19   2.366   0.934   0.934
  147   1HB   GLU  19           HB2      GLU  19   3.603  -1.635  -1.635
  148   2HB   GLU  19           HB1      GLU  19   3.148  -1.189  -1.189
  149   1HG   GLU  19           HG2      GLU  19   5.343  -0.719  -0.719
  150   2HG   GLU  19           HG1      GLU  19   5.024   0.741   0.741
  151    H    ARG  20           HN       ARG  20   2.503  -0.975  -0.975
  152    HA   ARG  20           HA       ARG  20  -0.128  -2.139  -2.139
  153   1HB   ARG  20           HB2      ARG  20   0.114  -2.929  -2.929
  154   2HB   ARG  20           HB1      ARG  20   1.438  -3.405  -3.405
  155   1HG   ARG  20           HG2      ARG  20   2.956  -1.987  -1.987
  156   2HG   ARG  20           HG1      ARG  20   1.714  -0.835  -0.835
  157   1HD   ARG  20           HD2      ARG  20   1.213  -3.378  -3.378
  158   2HD   ARG  20           HD1      ARG  20   2.877  -2.886  -2.886
  159    HE   ARG  20           HE       ARG  20   2.061  -1.100  -1.100
  160   1HH1  ARG  20          HH11      ARG  20  -0.323  -2.903  -2.903
  161   2HH1  ARG  20          HH12      ARG  20  -1.645  -1.841  -1.841
  162   1HH2  ARG  20          HH21      ARG  20   0.317   0.472   0.472
  163   2HH2  ARG  20          HH22      ARG  20  -1.283   0.082   0.082
  164    H    VAL  21           HN       VAL  21   0.810   0.920   0.920
  165    HA   VAL  21           HA       VAL  21  -1.548   1.297   1.297
  166    HB   VAL  21           HB       VAL  21   0.451   2.752   2.752
  167   1HG1  VAL  21          HG11      VAL  21   0.801   2.717   2.717
  168   2HG1  VAL  21          HG13      VAL  21  -0.301   4.090   4.090
  169   3HG1  VAL  21          HG12      VAL  21   1.216   4.183   4.183
  170   1HG2  VAL  21          HG23      VAL  21  -1.876   3.598   3.598
  171   2HG2  VAL  21          HG22      VAL  21  -0.689   4.857   4.857
  172   3HG2  VAL  21          HG21      VAL  21  -1.883   4.420   4.420
  173    H    GLU  22           HN       GLU  22  -0.794   1.938   1.938
  174    HA   GLU  22           HA       GLU  22  -3.428   3.033   3.033
  175   1HB   GLU  22           HB2      GLU  22  -1.180   1.998   1.998
  176   2HB   GLU  22           HB1      GLU  22  -2.670   2.703   2.703
  177   1HG   GLU  22           HG2      GLU  22  -0.791   4.139   4.139
  178   2HG   GLU  22           HG1      GLU  22  -0.758   4.341   4.341
  179    H    TRP  23           HN       TRP  23  -1.820  -0.144  -0.144
  180    HA   TRP  23           HA       TRP  23  -3.925  -1.554  -1.554
  181   1HB   TRP  23           HB2      TRP  23  -2.252  -3.081  -3.081
  182   2HB   TRP  23           HB1      TRP  23  -1.357  -2.144  -2.144
  183    HD1  TRP  23           HD1      TRP  23  -0.549  -3.796  -3.796
  184    HE1  TRP  23           HE1      TRP  23  -1.581  -5.755  -5.755
  185    HE3  TRP  23           HE3      TRP  23  -5.070  -3.934  -3.934
  186    HZ2  TRP  23           HZ2      TRP  23  -4.031  -7.209  -7.209
  187    HZ3  TRP  23           HZ3      TRP  23  -6.781  -5.594  -5.594
  188    HH2  TRP  23           HH2      TRP  23  -6.262  -7.244  -7.244
  189    H    LEU  24           HN       LEU  24  -3.234  -1.017  -1.017
  190    HA   LEU  24           HA       LEU  24  -5.568  -2.310  -2.310
  191   1HB   LEU  24           HB2      LEU  24  -3.479  -0.468  -0.468
  192   2HB   LEU  24           HB1      LEU  24  -5.016  -0.384  -0.384
  193    HG   LEU  24           HG       LEU  24  -3.342  -2.039  -2.039
  194   1HD1  LEU  24          HD12      LEU  24  -6.090  -2.917  -2.917
  195   2HD1  LEU  24          HD11      LEU  24  -5.111  -3.885  -3.885
  196   3HD1  LEU  24          HD13      LEU  24  -5.637  -2.270  -2.270
  197   1HD2  LEU  24          HD23      LEU  24  -2.577  -2.884  -2.884
  198   2HD2  LEU  24          HD22      LEU  24  -3.033  -4.166  -4.166
  199   3HD2  LEU  24          HD21      LEU  24  -4.137  -3.687  -3.687
  200    H    ARG  25           HN       ARG  25  -5.089   0.973   0.973
  201    HA   ARG  25           HA       ARG  25  -7.411   2.212   2.212
  202   1HB   ARG  25           HB2      ARG  25  -6.801   3.983   3.983
  203   2HB   ARG  25           HB1      ARG  25  -5.382   3.028   3.028
  204   1HG   ARG  25           HG2      ARG  25  -6.859   2.084   2.084
  205   2HG   ARG  25           HG1      ARG  25  -7.847   3.513   3.513
  206   1HD   ARG  25           HD2      ARG  25  -4.870   3.516   3.516
  207   2HD   ARG  25           HD1      ARG  25  -6.139   3.920   3.920
  208    HE   ARG  25           HE       ARG  25  -5.424   5.561   5.561
  209   1HH1  ARG  25          HH21      ARG  25  -8.251   5.976   5.976
  210   2HH1  ARG  25          HH22      ARG  25  -8.130   7.248   7.248
  211   1HH2  ARG  25          HH11      ARG  25  -4.701   6.816   6.816
  212   2HH2  ARG  25          HH12      ARG  25  -6.099   7.730   7.730
  213    H    LYS  26           HN       LYS  26  -7.058   0.099   0.099
  214    HA   LYS  26           HA       LYS  26  -9.911   0.252   0.252
  215   1HB   LYS  26           HB2      LYS  26  -7.893  -0.294  -0.294
  216   2HB   LYS  26           HB1      LYS  26  -8.054  -1.931  -1.931
  217   1HG   LYS  26           HG2      LYS  26 -10.488  -1.874  -1.874
  218   2HG   LYS  26           HG1      LYS  26 -10.205  -0.316  -0.316
  219   1HD   LYS  26           HD2      LYS  26  -9.883  -1.680  -1.680
  220   2HD   LYS  26           HD1      LYS  26  -8.241  -1.690  -1.690
  221   1HE   LYS  26           HE2      LYS  26  -8.647  -3.973  -3.973
  222   2HE   LYS  26           HE1      LYS  26  -9.083  -3.747  -3.747
  223   1HZ   LYS  26           HZ2      LYS  26 -11.015  -3.659  -3.659
  224   2HZ   LYS  26           HZ1      LYS  26 -10.748  -5.015  -5.015
  225   3HZ   LYS  26           HZ3      LYS  26 -11.388  -3.596  -3.596
  226    H    LYS  27           HN       LYS  27  -7.707  -2.045  -2.045
  227    HA   LYS  27           HA       LYS  27  -9.402  -4.238  -4.238
  228   1HB   LYS  27           HB2      LYS  27  -6.920  -3.907  -3.907
  229   2HB   LYS  27           HB1      LYS  27  -7.512  -3.130  -3.130
  230   1HG   LYS  27           HG2      LYS  27  -8.950  -5.284  -5.284
  231   2HG   LYS  27           HG1      LYS  27  -7.834  -6.002  -6.002
  232   1HD   LYS  27           HD2      LYS  27  -6.007  -4.905  -4.905
  233   2HD   LYS  27           HD1      LYS  27  -7.302  -5.021  -5.021
  234   1HE   LYS  27           HE2      LYS  27  -6.321  -7.353  -7.353
  235   2HE   LYS  27           HE1      LYS  27  -5.764  -7.011  -7.011
  236   1HZ   LYS  27           HZ3      LYS  27  -8.124  -7.145  -7.145
  237   2HZ   LYS  27           HZ2      LYS  27  -8.546  -7.656  -7.656
  238   3HZ   LYS  27           HZ1      LYS  27  -7.518  -8.608  -8.608
  239    H    LEU  28           HN       LEU  28  -9.184  -1.166  -1.166
  240    HA   LEU  28           HA       LEU  28 -10.935  -1.821  -1.821
  241   1HB   LEU  28           HB2      LEU  28 -10.343   0.820   0.820
  242   2HB   LEU  28           HB1      LEU  28 -11.356   0.700   0.700
  243    HG   LEU  28           HG       LEU  28  -8.679  -0.633  -0.633
  244   1HD1  LEU  28          HD11      LEU  28  -8.218   1.575   1.575
  245   2HD1  LEU  28          HD13      LEU  28  -9.052   2.365   2.365
  246   3HD1  LEU  28          HD12      LEU  28  -7.563   1.467   1.467
  247   1HD2  LEU  28          HD23      LEU  28 -10.283  -0.729  -0.729
  248   2HD2  LEU  28          HD22      LEU  28  -8.804   0.120   0.120
  249   3HD2  LEU  28          HD21      LEU  28 -10.271   1.033   1.033
  250    H    GLN  29           HN       GLN  29 -11.648  -0.417  -0.417
  251    HA   GLN  29           HA       GLN  29 -14.520  -0.265  -0.265
  252   1HB   GLN  29           HB2      GLN  29 -12.693  -0.047  -0.047
  253   2HB   GLN  29           HB1      GLN  29 -14.431  -0.204  -0.204
  254   1HG   GLN  29           HG2      GLN  29 -14.313   2.093   2.093
  255   2HG   GLN  29           HG1      GLN  29 -14.484   1.719   1.719
  256   1HE2  GLN  29          HE21      GLN  29 -12.590   2.008   2.008
  257   2HE2  GLN  29          HE22      GLN  29 -11.178   2.758   2.758
  258    H    ASP  30           HN       ASP  30 -12.339  -2.708  -2.708
  259    HA   ASP  30           HA       ASP  30 -14.330  -4.451  -4.451
  260   1HB   ASP  30           HB2      ASP  30 -11.587  -5.109  -5.109
  261   2HB   ASP  30           HB1      ASP  30 -12.578  -6.241  -6.241
  262    H    VAL  31           HN       VAL  31 -12.714  -4.548  -4.548
  263    HA   VAL  31           HA       VAL  31 -14.293  -6.727  -6.727
  264    HB   VAL  31           HB       VAL  31 -12.830  -4.508  -4.508
  265   1HG1  VAL  31          HG13      VAL  31 -13.972  -7.164  -7.164
  266   2HG1  VAL  31          HG12      VAL  31 -12.817  -6.219  -6.219
  267   3HG1  VAL  31          HG11      VAL  31 -14.409  -5.556  -5.556
  268   1HG2  VAL  31          HG23      VAL  31 -11.999  -7.324  -7.324
  269   2HG2  VAL  31          HG22      VAL  31 -11.318  -5.821  -5.821
  270   3HG2  VAL  31          HG21      VAL  31 -11.072  -6.269  -6.269
  271    H    HIS  32           HN       HIS  32 -14.766  -3.182  -3.182
  272    HA   HIS  32           HA       HIS  32 -17.005  -3.028  -3.028
  273   1HB   HIS  32           HB2      HIS  32 -15.557  -1.186  -1.186
  274   2HB   HIS  32           HB1      HIS  32 -17.067  -1.204  -1.204
  275    HD1  HIS  32           HD1      HIS  32 -19.284  -1.139  -1.139
  276    HD2  HIS  32           HD2      HIS  32 -15.685   0.567   0.567
  277    HE1  HIS  32           HE1      HIS  32 -19.853   0.447   0.447
  278    H    ASN  33           HN       ASN  33 -16.865  -3.491  -3.491
  279    HA   ASN  33           HA       ASN  33 -19.733  -3.738  -3.738
  280   1HB   ASN  33           HB2      ASN  33 -17.321  -4.461  -4.461
  281   2HB   ASN  33           HB1      ASN  33 -18.942  -4.931  -4.931
  282   1HD2  ASN  33          HD21      ASN  33 -16.774  -2.167  -2.167
  283   2HD2  ASN  33          HD22      ASN  33 -17.803  -1.027  -1.027
  284    H    PHE  34           HN       PHE  34 -17.096  -6.059  -6.059
  285    HA   PHE  34           HA       PHE  34 -18.756  -8.440  -8.440
  286   1HB   PHE  34           HB2      PHE  34 -15.949  -7.801  -7.801
  287   2HB   PHE  34           HB1      PHE  34 -16.608  -9.239  -9.239
  288    HD1  PHE  34           HD2      PHE  34 -17.388 -11.153 -11.153
  289    HD2  PHE  34           HD1      PHE  34 -15.598  -7.705  -7.705
  290    HE1  PHE  34           HE2      PHE  34 -17.072 -12.431 -12.431
  291    HE2  PHE  34           HE1      PHE  34 -15.282  -8.983  -8.983
  292    HZ   PHE  34           HZ       PHE  34 -16.018 -11.347 -11.347
  293    H    VAL  35           HN       VAL  35 -18.537  -9.980  -9.980
  294    HA   VAL  35           HA       VAL  35 -19.830  -8.457  -8.457
  295    HB   VAL  35           HB       VAL  35 -19.921 -11.471 -11.471
  296   1HG1  VAL  35          HG11      VAL  35 -21.547  -9.517  -9.517
  297   2HG1  VAL  35          HG13      VAL  35 -22.013 -11.198 -11.198
  298   3HG1  VAL  35          HG12      VAL  35 -20.515 -10.820 -10.820
  299   1HG2  VAL  35          HG23      VAL  35 -21.800  -9.309  -9.309
  300   2HG2  VAL  35          HG22      VAL  35 -20.955 -10.526 -10.526
  301   3HG2  VAL  35          HG21      VAL  35 -22.263 -11.007 -11.007
  302    H    ALA  36           HN       ALA  36 -17.215  -8.067  -8.067
  303    HA   ALA  36           HA       ALA  36 -15.242  -8.203  -8.203
  304   1HB   ALA  36           HB1      ALA  36 -16.970  -8.281  -8.281
  305   2HB   ALA  36           HB3      ALA  36 -16.696 -10.023 -10.023
  306   3HB   ALA  36           HB2      ALA  36 -15.365  -8.914  -8.914
  307    H    LEU  37           HN       LEU  37 -15.303  -9.815  -9.815
  308    HA   LEU  37           HA       LEU  37 -14.284 -12.486 -12.486
  309   1HB   LEU  37           HB2      LEU  37 -15.571 -11.472 -11.472
  310   2HB   LEU  37           HB1      LEU  37 -14.530 -12.893 -12.893
  311    HG   LEU  37           HG       LEU  37 -16.561 -12.845 -12.845
  312   1HD1  LEU  37          HD11      LEU  37 -17.272 -13.235 -13.235
  313   2HD1  LEU  37          HD13      LEU  37 -18.310 -13.700 -13.700
  314   3HD1  LEU  37          HD12      LEU  37 -17.914 -12.003 -12.003
  315   1HD2  LEU  37          HD22      LEU  37 -15.005 -14.740 -14.740
  316   2HD2  LEU  37          HD21      LEU  37 -16.679 -15.239 -15.239
  317   3HD2  LEU  37          HD23      LEU  37 -15.638 -14.956 -14.956
  318    H    GLY  38           HN       GLY  38 -12.219 -13.146 -13.146
  319   1HA   GLY  38           HA2      GLY  38 -10.443 -12.338 -12.338
  320   2HA   GLY  38           HA1      GLY  38 -10.288 -11.054 -11.054
  321    H    ALA  39           HN       ALA  39 -10.194 -12.095 -12.095
  322    HA   ALA  39           HA       ALA  39  -7.998 -14.122 -14.122
  323   1HB   ALA  39           HB1      ALA  39  -8.781 -12.132 -12.132
  324   2HB   ALA  39           HB3      ALA  39  -7.463 -13.297 -13.297
  325   3HB   ALA  39           HB2      ALA  39  -7.386 -12.015 -12.015

  Start of MODEL    8
    1   1H    SER   1           HT1      SER   1  -3.824 -18.736 -18.736
    2   2H    SER   1           HT3      SER   1  -2.248 -19.184 -19.184
    3   3H    SER   1           HT2      SER   1  -2.596 -18.792 -18.792
    4    HA   SER   1           HA       SER   1  -1.436 -16.962 -16.962
    5   1HB   SER   1           HB2      SER   1  -3.771 -16.938 -16.938
    6   2HB   SER   1           HB1      SER   1  -2.437 -15.788 -15.788
    7    HG   SER   1           HG       SER   1  -2.047 -17.419 -17.419
    8    H    VAL   2           HN       VAL   2  -1.792 -15.698 -15.698
    9    HA   VAL   2           HA       VAL   2  -4.534 -15.060 -15.060
   10    HB   VAL   2           HB       VAL   2  -2.670 -15.604 -15.604
   11   1HG1  VAL   2          HG11      VAL   2  -0.930 -14.175 -14.175
   12   2HG1  VAL   2          HG13      VAL   2  -1.748 -12.763 -12.763
   13   3HG1  VAL   2          HG12      VAL   2  -1.022 -13.956 -13.956
   14   1HG2  VAL   2          HG23      VAL   2  -4.806 -14.368 -14.368
   15   2HG2  VAL   2          HG22      VAL   2  -3.454 -14.060 -14.060
   16   3HG2  VAL   2          HG21      VAL   2  -3.890 -12.867 -12.867
   17    H    SER   3           HN       SER   3  -1.778 -13.310 -13.310
   18    HA   SER   3           HA       SER   3  -3.330 -10.794 -10.794
   19   1HB   SER   3           HB2      SER   3  -0.892 -10.745 -10.745
   20   2HB   SER   3           HB1      SER   3  -0.552 -11.376 -11.376
   21    HG   SER   3           HG       SER   3  -1.545  -8.864  -8.864
   22    H    GLU   4           HN       GLU   4  -1.528 -12.722 -12.722
   23    HA   GLU   4           HA       GLU   4  -3.592 -13.144 -13.144
   24   1HB   GLU   4           HB2      GLU   4  -3.710 -10.697 -10.697
   25   2HB   GLU   4           HB1      GLU   4  -1.971 -10.611 -10.611
   26   1HG   GLU   4           HG2      GLU   4  -2.785 -12.439 -12.439
   27   2HG   GLU   4           HG1      GLU   4  -4.106 -11.276 -11.276
   28    H    ILE   5           HN       ILE   5  -0.200 -12.039 -12.039
   29    HA   ILE   5           HA       ILE   5   1.754 -12.771 -12.771
   30    HB   ILE   5           HB       ILE   5   1.313 -14.340 -14.340
   31   1HG1  ILE   5          HG12      ILE   5   2.918 -15.821 -15.821
   32   2HG1  ILE   5          HG11      ILE   5   3.409 -14.181 -14.181
   33   1HG2  ILE   5          HG23      ILE   5   0.393 -16.148 -16.148
   34   2HG2  ILE   5          HG22      ILE   5   0.982 -16.772 -16.772
   35   3HG2  ILE   5          HG21      ILE   5  -0.449 -15.745 -15.745
   36   1HD1  ILE   5          HD11      ILE   5   2.988 -16.450 -16.450
   37   2HD1  ILE   5          HD13      ILE   5   4.550 -15.837 -15.837
   38   3HD1  ILE   5          HD12      ILE   5   3.483 -14.809 -14.809
   39    H    GLN   6           HN       GLN   6  -0.419 -12.479 -12.479
   40    HA   GLN   6           HA       GLN   6   0.225 -14.603 -14.603
   41   1HB   GLN   6           HB2      GLN   6  -2.166 -13.023 -13.023
   42   2HB   GLN   6           HB1      GLN   6  -1.729 -12.920 -12.920
   43   1HG   GLN   6           HG2      GLN   6  -3.133 -14.826 -14.826
   44   2HG   GLN   6           HG1      GLN   6  -1.502 -15.488 -15.488
   45   1HE2  GLN   6          HE21      GLN   6  -0.626 -16.438 -16.438
   46   2HE2  GLN   6          HE22      GLN   6  -1.641 -16.788 -16.788
   47    H    LEU   7           HN       LEU   7   0.051 -11.048 -11.048
   48    HA   LEU   7           HA       LEU   7   1.170 -10.338 -10.338
   49   1HB   LEU   7           HB2      LEU   7   1.077  -8.885  -8.885
   50   2HB   LEU   7           HB1      LEU   7   1.734  -8.156  -8.156
   51    HG   LEU   7           HG       LEU   7  -1.057  -9.325  -9.325
   52   1HD1  LEU   7          HD12      LEU   7  -0.072  -6.504  -6.504
   53   2HD1  LEU   7          HD11      LEU   7  -1.744  -6.870  -6.870
   54   3HD1  LEU   7          HD13      LEU   7  -1.057  -7.505  -7.505
   55   1HD2  LEU   7          HD23      LEU   7   0.497  -7.703  -7.703
   56   2HD2  LEU   7          HD22      LEU   7  -0.428  -9.182  -9.182
   57   3HD2  LEU   7          HD21      LEU   7  -1.265  -7.655  -7.655
   58    H    MET   8           HN       MET   8   2.681 -11.346 -11.346
   59    HA   MET   8           HA       MET   8   5.362 -10.477 -10.477
   60   1HB   MET   8           HB2      MET   8   4.149 -12.792 -12.792
   61   2HB   MET   8           HB1      MET   8   5.900 -12.648 -12.648
   62   1HG   MET   8           HG2      MET   8   4.232 -10.308 -10.308
   63   2HG   MET   8           HG1      MET   8   4.745 -11.555 -11.555
   64   1HE   MET   8           HE2      MET   8   7.127 -12.551 -12.551
   65   2HE   MET   8           HE1      MET   8   8.489 -11.471 -11.471
   66   3HE   MET   8           HE3      MET   8   7.118 -11.477 -11.477
   67    H    HIS   9           HN       HIS   9   3.676 -13.465 -13.465
   68    HA   HIS   9           HA       HIS   9   6.008 -14.515 -14.515
   69   1HB   HIS   9           HB2      HIS   9   3.919 -15.805 -15.805
   70   2HB   HIS   9           HB1      HIS   9   3.177 -15.383 -15.383
   71    HD1  HIS   9           HD1      HIS   9   6.600 -16.763 -16.763
   72    HD2  HIS   9           HD2      HIS   9   3.634 -17.397 -17.397
   73    HE1  HIS   9           HE1      HIS   9   7.401 -18.676 -18.676
   74    H    ASN  10           HN       ASN  10   2.897 -12.997 -12.997
   75    HA   ASN  10           HA       ASN  10   4.242 -12.068 -12.068
   76   1HB   ASN  10           HB2      ASN  10   1.741 -13.700 -13.700
   77   2HB   ASN  10           HB1      ASN  10   1.777 -12.447 -12.447
   78   1HD2  ASN  10          HD21      ASN  10   3.500 -15.398 -15.398
   79   2HD2  ASN  10          HD22      ASN  10   4.224 -15.716 -15.716
   80    H    LEU  11           HN       LEU  11   4.369  -9.917  -9.917
   81    HA   LEU  11           HA       LEU  11   2.167  -8.517  -8.517
   82   1HB   LEU  11           HB2      LEU  11   4.757  -8.086  -8.086
   83   2HB   LEU  11           HB1      LEU  11   4.525  -7.148  -7.148
   84    HG   LEU  11           HG       LEU  11   2.497  -6.137  -6.137
   85   1HD1  LEU  11          HD13      LEU  11   3.520  -7.752  -7.752
   86   2HD1  LEU  11          HD12      LEU  11   4.542  -6.342  -6.342
   87   3HD1  LEU  11          HD11      LEU  11   2.789  -6.197  -6.197
   88   1HD2  LEU  11          HD23      LEU  11   4.342  -4.871  -4.871
   89   2HD2  LEU  11          HD22      LEU  11   4.004  -4.269  -4.269
   90   3HD2  LEU  11          HD21      LEU  11   5.403  -5.304  -5.304
   91    H    GLY  12           HN       GLY  12   0.547  -9.054  -9.054
   92   1HA   GLY  12           HA2      GLY  12  -0.855  -8.333  -8.333
   93   2HA   GLY  12           HA1      GLY  12   0.164  -6.901  -6.901
   94    H    LYS  13           HN       LYS  13   1.043 -10.365 -10.365
   95    HA   LYS  13           HA       LYS  13   2.001 -11.618 -11.618
   96   1HB   LYS  13           HB2      LYS  13   0.034 -10.869 -10.869
   97   2HB   LYS  13           HB1      LYS  13   0.969  -9.486  -9.486
   98   1HG   LYS  13           HG2      LYS  13   1.426 -10.931 -10.931
   99   2HG   LYS  13           HG1      LYS  13   2.726 -11.409 -11.409
  100   1HD   LYS  13           HD2      LYS  13   0.071 -12.771 -12.771
  101   2HD   LYS  13           HD1      LYS  13   1.084 -13.217 -13.217
  102   1HE   LYS  13           HE2      LYS  13   2.306 -14.535 -14.535
  103   2HE   LYS  13           HE1      LYS  13   2.790 -13.115 -13.115
  104   1HZ   LYS  13           HZ1      LYS  13   0.697 -13.350 -13.350
  105   2HZ   LYS  13           HZ3      LYS  13   0.382 -14.799 -14.799
  106   3HZ   LYS  13           HZ2      LYS  13   1.746 -14.675 -14.675
  107    H    HIS  14           HN       HIS  14   2.618  -8.415  -8.415
  108    HA   HIS  14           HA       HIS  14   5.334  -8.234  -8.234
  109   1HB   HIS  14           HB2      HIS  14   5.485 -10.054 -10.054
  110   2HB   HIS  14           HB1      HIS  14   5.063  -8.817  -8.817
  111    HD1  HIS  14           HD1      HIS  14   6.808  -6.918  -6.918
  112    HD2  HIS  14           HD2      HIS  14   8.112  -9.846  -9.846
  113    HE1  HIS  14           HE1      HIS  14   9.300  -6.564  -6.564
  114    H    LEU  15           HN       LEU  15   4.968  -6.059  -6.059
  115    HA   LEU  15           HA       LEU  15   4.496  -4.236  -4.236
  116   1HB   LEU  15           HB2      LEU  15   3.195  -4.039  -4.039
  117   2HB   LEU  15           HB1      LEU  15   2.989  -2.887  -2.887
  118    HG   LEU  15           HG       LEU  15   2.311  -5.810  -5.810
  119   1HD1  LEU  15          HD11      LEU  15   1.042  -4.947  -4.947
  120   2HD1  LEU  15          HD13      LEU  15   0.470  -3.604  -3.604
  121   3HD1  LEU  15          HD12      LEU  15  -0.011  -5.254  -5.254
  122   1HD2  LEU  15          HD22      LEU  15   1.821  -3.238  -3.238
  123   2HD2  LEU  15          HD21      LEU  15   2.294  -4.814  -4.814
  124   3HD2  LEU  15          HD23      LEU  15   0.628  -4.531  -4.531
  125    H    ASN  16           HN       ASN  16   4.640  -1.857  -1.857
  126    HA   ASN  16           HA       ASN  16   6.964  -1.828  -1.828
  127   1HB   ASN  16           HB2      ASN  16   8.213  -2.304  -2.304
  128   2HB   ASN  16           HB1      ASN  16   7.409  -0.988  -0.988
  129   1HD2  ASN  16          HD21      ASN  16   8.185   1.191   1.191
  130   2HD2  ASN  16          HD22      ASN  16   9.555   1.509   1.509
  131    H    SER  17           HN       SER  17   6.387  -0.193  -0.193
  132    HA   SER  17           HA       SER  17   5.468   1.791   1.791
  133   1HB   SER  17           HB2      SER  17   7.096   2.770   2.770
  134   2HB   SER  17           HB1      SER  17   6.476   3.819   3.819
  135    HG   SER  17           HG       SER  17   8.613   2.123   2.123
  136    H    MET  18           HN       MET  18   5.259   3.505   3.505
  137    HA   MET  18           HA       MET  18   2.459   4.057   4.057
  138   1HB   MET  18           HB2      MET  18   4.456   4.470   4.470
  139   2HB   MET  18           HB1      MET  18   2.742   4.739   4.739
  140   1HG   MET  18           HG2      MET  18   2.678   6.255   6.255
  141   2HG   MET  18           HG1      MET  18   4.431   6.092   6.092
  142   1HE   MET  18           HE2      MET  18   1.461   7.687   7.687
  143   2HE   MET  18           HE1      MET  18   1.904   8.438   8.438
  144   3HE   MET  18           HE3      MET  18   1.685   6.686   6.686
  145    H    GLU  19           HN       GLU  19   4.198   1.613   1.613
  146    HA   GLU  19           HA       GLU  19   1.925   0.633   0.633
  147   1HB   GLU  19           HB2      GLU  19   4.551  -0.686  -0.686
  148   2HB   GLU  19           HB1      GLU  19   3.371  -1.409  -1.409
  149   1HG   GLU  19           HG2      GLU  19   4.602  -0.340  -0.340
  150   2HG   GLU  19           HG1      GLU  19   3.629   1.053   1.053
  151    H    ARG  20           HN       ARG  20   2.954   0.206   0.206
  152    HA   ARG  20           HA       ARG  20   0.936  -1.991  -1.991
  153   1HB   ARG  20           HB2      ARG  20   3.460  -2.365  -2.365
  154   2HB   ARG  20           HB1      ARG  20   3.164  -1.335  -1.335
  155   1HG   ARG  20           HG2      ARG  20   1.102  -3.391  -3.391
  156   2HG   ARG  20           HG1      ARG  20   2.714  -4.082  -4.082
  157   1HD   ARG  20           HD2      ARG  20   2.840  -3.451  -3.451
  158   2HD   ARG  20           HD1      ARG  20   2.242  -1.835  -1.835
  159    HE   ARG  20           HE       ARG  20   0.021  -2.591  -2.591
  160   1HH1  ARG  20          HH21      ARG  20   0.150  -5.238  -5.238
  161   2HH1  ARG  20          HH22      ARG  20   0.045  -6.352  -6.352
  162   1HH2  ARG  20          HH11      ARG  20   0.855  -3.969  -3.969
  163   2HH2  ARG  20          HH12      ARG  20   0.458  -5.628  -5.628
  164    H    VAL  21           HN       VAL  21   0.163   0.735   0.735
  165    HA   VAL  21           HA       VAL  21  -1.241   0.956   0.956
  166    HB   VAL  21           HB       VAL  21   0.637   2.417   2.417
  167   1HG1  VAL  21          HG11      VAL  21   1.192   2.736   2.736
  168   2HG1  VAL  21          HG13      VAL  21   0.022   4.048   4.048
  169   3HG1  VAL  21          HG12      VAL  21   1.441   4.119   4.119
  170   1HG2  VAL  21          HG21      VAL  21  -1.798   3.180   3.180
  171   2HG2  VAL  21          HG23      VAL  21  -0.518   4.386   4.386
  172   3HG2  VAL  21          HG22      VAL  21  -1.540   4.325   4.325
  173    H    GLU  22           HN       GLU  22  -0.762   2.504   2.504
  174    HA   GLU  22           HA       GLU  22  -3.554   3.321   3.321
  175   1HB   GLU  22           HB2      GLU  22  -1.160   3.039   3.039
  176   2HB   GLU  22           HB1      GLU  22  -2.763   3.176   3.176
  177   1HG   GLU  22           HG2      GLU  22  -1.905   5.404   5.404
  178   2HG   GLU  22           HG1      GLU  22  -3.096   5.260   5.260
  179    H    TRP  23           HN       TRP  23  -1.688   0.350   0.350
  180    HA   TRP  23           HA       TRP  23  -3.359  -1.103  -1.103
  181   1HB   TRP  23           HB2      TRP  23  -2.009  -2.900  -2.900
  182   2HB   TRP  23           HB1      TRP  23  -1.011  -1.614  -1.614
  183    HD1  TRP  23           HD1      TRP  23  -1.029  -1.309  -1.309
  184    HE1  TRP  23           HE1      TRP  23  -1.340  -3.115  -3.115
  185    HE3  TRP  23           HE3      TRP  23  -3.201  -4.909  -4.909
  186    HZ2  TRP  23           HZ2      TRP  23  -2.292  -5.708  -5.708
  187    HZ3  TRP  23           HZ3      TRP  23  -3.879  -7.022  -7.022
  188    HH2  TRP  23           HH2      TRP  23  -3.404  -7.466  -7.466
  189    H    LEU  24           HN       LEU  24  -3.663  -0.568  -0.568
  190    HA   LEU  24           HA       LEU  24  -5.934  -2.375  -2.375
  191   1HB   LEU  24           HB2      LEU  24  -4.830  -0.225  -0.225
  192   2HB   LEU  24           HB1      LEU  24  -6.091  -1.382  -1.382
  193    HG   LEU  24           HG       LEU  24  -3.477  -2.269  -2.269
  194   1HD1  LEU  24          HD12      LEU  24  -4.090  -1.830  -1.830
  195   2HD1  LEU  24          HD11      LEU  24  -2.690  -2.709  -2.709
  196   3HD1  LEU  24          HD13      LEU  24  -2.872  -0.990  -0.990
  197   1HD2  LEU  24          HD22      LEU  24  -5.840  -3.560  -3.560
  198   2HD2  LEU  24          HD21      LEU  24  -4.632  -4.185  -4.185
  199   3HD2  LEU  24          HD23      LEU  24  -4.308  -4.187  -4.187
  200    H    ARG  25           HN       ARG  25  -5.498   1.074   1.074
  201    HA   ARG  25           HA       ARG  25  -8.098   2.046   2.046
  202   1HB   ARG  25           HB2      ARG  25  -5.842   3.222   3.222
  203   2HB   ARG  25           HB1      ARG  25  -6.704   3.123   3.123
  204   1HG   ARG  25           HG2      ARG  25  -8.653   4.214   4.214
  205   2HG   ARG  25           HG1      ARG  25  -7.712   4.402   4.402
  206   1HD   ARG  25           HD2      ARG  25  -6.495   5.418   5.418
  207   2HD   ARG  25           HD1      ARG  25  -7.864   6.319   6.319
  208    HE   ARG  25           HE       ARG  25  -6.573   6.728   6.728
  209   1HH1  ARG  25          HH21      ARG  25  -4.765   7.771   7.771
  210   2HH1  ARG  25          HH22      ARG  25  -3.253   7.031   7.031
  211   1HH2  ARG  25          HH11      ARG  25  -4.666   4.628   4.628
  212   2HH2  ARG  25          HH12      ARG  25  -3.196   5.239   5.239
  213    H    LYS  26           HN       LYS  26  -6.868   0.543   0.543
  214    HA   LYS  26           HA       LYS  26  -9.574   0.647   0.647
  215   1HB   LYS  26           HB2      LYS  26  -7.001   0.564   0.564
  216   2HB   LYS  26           HB1      LYS  26  -7.643  -1.050  -1.050
  217   1HG   LYS  26           HG2      LYS  26  -9.510   1.213   1.213
  218   2HG   LYS  26           HG1      LYS  26  -8.137   1.084   1.084
  219   1HD   LYS  26           HD2      LYS  26  -9.445  -0.390  -0.390
  220   2HD   LYS  26           HD1      LYS  26  -8.970  -1.533  -1.533
  221   1HE   LYS  26           HE2      LYS  26 -10.996  -1.302  -1.302
  222   2HE   LYS  26           HE1      LYS  26 -11.336   0.274   0.274
  223   1HZ   LYS  26           HZ1      LYS  26 -11.716  -0.812  -0.812
  224   2HZ   LYS  26           HZ3      LYS  26 -11.397  -2.328  -2.328
  225   3HZ   LYS  26           HZ2      LYS  26 -12.753  -1.436  -1.436
  226    H    LYS  27           HN       LYS  27  -7.289  -1.812  -1.812
  227    HA   LYS  27           HA       LYS  27  -8.717  -4.186  -4.186
  228   1HB   LYS  27           HB2      LYS  27  -6.554  -4.467  -4.467
  229   2HB   LYS  27           HB1      LYS  27  -6.791  -3.290  -3.290
  230   1HG   LYS  27           HG2      LYS  27  -8.602  -5.371  -5.371
  231   2HG   LYS  27           HG1      LYS  27  -7.103  -6.161  -6.161
  232   1HD   LYS  27           HD2      LYS  27  -6.153  -4.105  -4.105
  233   2HD   LYS  27           HD1      LYS  27  -7.644  -4.493  -4.493
  234   1HE   LYS  27           HE2      LYS  27  -5.359  -6.354  -6.354
  235   2HE   LYS  27           HE1      LYS  27  -5.831  -5.792  -5.792
  236   1HZ   LYS  27           HZ3      LYS  27  -8.073  -6.903  -6.903
  237   2HZ   LYS  27           HZ2      LYS  27  -7.226  -7.723  -7.723
  238   3HZ   LYS  27           HZ1      LYS  27  -6.763  -7.905  -7.905
  239    H    LEU  28           HN       LEU  28  -9.148  -1.949  -1.949
  240    HA   LEU  28           HA       LEU  28 -11.214  -3.544  -3.544
  241   1HB   LEU  28           HB2      LEU  28  -9.790  -1.655  -1.655
  242   2HB   LEU  28           HB1      LEU  28 -10.934  -0.545  -0.545
  243    HG   LEU  28           HG       LEU  28 -12.674  -2.280  -2.280
  244   1HD1  LEU  28          HD13      LEU  28 -10.801  -3.583  -3.583
  245   2HD1  LEU  28          HD12      LEU  28 -10.300  -2.136  -2.136
  246   3HD1  LEU  28          HD11      LEU  28 -11.862  -2.878  -2.878
  247   1HD2  LEU  28          HD22      LEU  28 -12.481   0.250   0.250
  248   2HD2  LEU  28          HD21      LEU  28 -13.026  -0.587  -0.587
  249   3HD2  LEU  28          HD23      LEU  28 -11.358  -0.032  -0.032
  250    H    GLN  29           HN       GLN  29 -11.323  -0.741  -0.741
  251    HA   GLN  29           HA       GLN  29 -14.277  -1.045  -1.045
  252   1HB   GLN  29           HB2      GLN  29 -12.395   1.070   1.070
  253   2HB   GLN  29           HB1      GLN  29 -14.134   1.059   1.059
  254   1HG   GLN  29           HG2      GLN  29 -12.761   1.228   1.228
  255   2HG   GLN  29           HG1      GLN  29 -13.592   2.543   2.543
  256   1HE2  GLN  29          HE21      GLN  29 -14.054  -0.209  -0.209
  257   2HE2  GLN  29          HE22      GLN  29 -15.746  -0.120  -0.120
  258    H    ASP  30           HN       ASP  30 -12.378  -3.081  -3.081
  259    HA   ASP  30           HA       ASP  30 -12.602  -2.731  -2.731
  260   1HB   ASP  30           HB2      ASP  30 -11.060  -4.412  -4.412
  261   2HB   ASP  30           HB1      ASP  30 -11.955  -5.437  -5.437
  262    H    VAL  31           HN       VAL  31 -13.824  -5.103  -5.103
  263    HA   VAL  31           HA       VAL  31 -15.837  -6.243  -6.243
  264    HB   VAL  31           HB       VAL  31 -15.857  -6.104  -6.104
  265   1HG1  VAL  31          HG11      VAL  31 -17.345  -7.773  -7.773
  266   2HG1  VAL  31          HG13      VAL  31 -17.135  -8.320  -8.320
  267   3HG1  VAL  31          HG12      VAL  31 -18.007  -6.823  -6.823
  268   1HG2  VAL  31          HG21      VAL  31 -14.641  -8.140  -8.140
  269   2HG2  VAL  31          HG23      VAL  31 -13.778  -7.134  -7.134
  270   3HG2  VAL  31          HG22      VAL  31 -14.854  -8.409  -8.409
  271    H    HIS  32           HN       HIS  32 -15.818  -3.462  -3.462
  272    HA   HIS  32           HA       HIS  32 -18.625  -2.853  -2.853
  273   1HB   HIS  32           HB2      HIS  32 -16.177  -1.091  -1.091
  274   2HB   HIS  32           HB1      HIS  32 -17.825  -0.495  -0.495
  275    HD1  HIS  32           HD1      HIS  32 -18.742  -0.644  -0.644
  276    HD2  HIS  32           HD2      HIS  32 -15.734  -3.463  -3.463
  277    HE1  HIS  32           HE1      HIS  32 -18.391  -1.825  -1.825
  278    H    ASN  33           HN       ASN  33 -15.920  -1.784  -1.784
  279    HA   ASN  33           HA       ASN  33 -17.930  -0.637  -0.637
  280   1HB   ASN  33           HB2      ASN  33 -14.965  -0.020  -0.020
  281   2HB   ASN  33           HB1      ASN  33 -16.044   0.717   0.717
  282   1HD2  ASN  33          HD21      ASN  33 -17.805   2.147   2.147
  283   2HD2  ASN  33          HD22      ASN  33 -17.638   2.841   2.841
  284    H    PHE  34           HN       PHE  34 -18.107  -3.135  -3.135
  285    HA   PHE  34           HA       PHE  34 -16.272  -3.779  -3.779
  286   1HB   PHE  34           HB2      PHE  34 -16.191  -5.150  -5.150
  287   2HB   PHE  34           HB1      PHE  34 -17.276  -6.142  -6.142
  288    HD1  PHE  34           HD2      PHE  34 -16.504  -6.669  -6.669
  289    HD2  PHE  34           HD1      PHE  34 -13.856  -5.375  -5.375
  290    HE1  PHE  34           HE2      PHE  34 -14.570  -7.582  -7.582
  291    HE2  PHE  34           HE1      PHE  34 -11.928  -6.286  -6.286
  292    HZ   PHE  34           HZ       PHE  34 -12.281  -7.392  -7.392
  293    H    VAL  35           HN       VAL  35 -17.360  -4.317  -4.317
  294    HA   VAL  35           HA       VAL  35 -20.183  -5.285  -5.285
  295    HB   VAL  35           HB       VAL  35 -19.185  -3.149  -3.149
  296   1HG1  VAL  35          HG13      VAL  35 -21.839  -4.584  -4.584
  297   2HG1  VAL  35          HG12      VAL  35 -21.688  -3.034  -3.034
  298   3HG1  VAL  35          HG11      VAL  35 -20.828  -4.445  -4.445
  299   1HG2  VAL  35          HG21      VAL  35 -21.042  -3.060  -3.060
  300   2HG2  VAL  35          HG23      VAL  35 -19.535  -2.169  -2.169
  301   3HG2  VAL  35          HG22      VAL  35 -20.949  -1.767  -1.767
  302    H    ALA  36           HN       ALA  36 -17.718  -4.656  -4.656
  303    HA   ALA  36           HA       ALA  36 -17.522  -7.510  -7.510
  304   1HB   ALA  36           HB3      ALA  36 -18.844  -5.615  -5.615
  305   2HB   ALA  36           HB2      ALA  36 -18.320  -7.256  -7.256
  306   3HB   ALA  36           HB1      ALA  36 -19.606  -6.990  -6.990
  307    H    LEU  37           HN       LEU  37 -17.011  -4.329  -4.329
  308    HA   LEU  37           HA       LEU  37 -14.317  -5.222  -5.222
  309   1HB   LEU  37           HB2      LEU  37 -16.168  -3.758  -3.758
  310   2HB   LEU  37           HB1      LEU  37 -15.263  -2.445  -2.445
  311    HG   LEU  37           HG       LEU  37 -13.797  -4.666  -4.666
  312   1HD1  LEU  37          HD12      LEU  37 -15.008  -2.199  -2.199
  313   2HD1  LEU  37          HD11      LEU  37 -13.884  -3.310  -3.310
  314   3HD1  LEU  37          HD13      LEU  37 -15.488  -3.868  -3.868
  315   1HD2  LEU  37          HD22      LEU  37 -13.272  -1.775  -1.775
  316   2HD2  LEU  37          HD21      LEU  37 -12.344  -3.205  -3.205
  317   3HD2  LEU  37          HD23      LEU  37 -12.294  -2.612  -2.612
  318    H    GLY  38           HN       GLY  38 -12.706  -4.968  -4.968
  319   1HA   GLY  38           HA2      GLY  38 -12.708  -2.532  -2.532
  320   2HA   GLY  38           HA1      GLY  38 -12.020  -4.082  -4.082
  321    H    ALA  39           HN       ALA  39 -11.720  -1.877  -1.877
  322    HA   ALA  39           HA       ALA  39  -8.825  -1.593  -1.593
  323   1HB   ALA  39           HB2      ALA  39  -9.917  -3.051  -3.051
  324   2HB   ALA  39           HB1      ALA  39  -8.267  -2.443  -2.443
  325   3HB   ALA  39           HB3      ALA  39  -8.830  -3.703  -3.703

  Start of MODEL    9
    1   1H    SER   1           HT1      SER   1  14.742  -8.847  -8.847
    2   2H    SER   1           HT3      SER   1  15.061 -10.196 -10.196
    3   3H    SER   1           HT2      SER   1  16.266  -9.024  -9.024
    4    HA   SER   1           HA       SER   1  16.396  -9.591  -9.591
    5   1HB   SER   1           HB2      SER   1  17.268 -11.947 -11.947
    6   2HB   SER   1           HB1      SER   1  17.917 -10.793 -10.793
    7    HG   SER   1           HG       SER   1  17.030 -12.946 -12.946
    8    H    VAL   2           HN       VAL   2  15.594 -10.759 -10.759
    9    HA   VAL   2           HA       VAL   2  13.079 -12.322 -12.322
   10    HB   VAL   2           HB       VAL   2  12.329 -11.341 -11.341
   11   1HG1  VAL   2          HG12      VAL   2  11.324 -10.809 -10.809
   12   2HG1  VAL   2          HG11      VAL   2  12.470  -9.477  -9.477
   13   3HG1  VAL   2          HG13      VAL   2  11.266  -9.449  -9.449
   14   1HG2  VAL   2          HG21      VAL   2  14.612 -10.265 -10.265
   15   2HG2  VAL   2          HG23      VAL   2  13.213  -9.217  -9.217
   16   3HG2  VAL   2          HG22      VAL   2  14.186  -9.080  -9.080
   17    H    SER   3           HN       SER   3  13.880 -14.355 -14.355
   18    HA   SER   3           HA       SER   3  15.515 -14.866 -14.866
   19   1HB   SER   3           HB2      SER   3  16.352 -15.599 -15.599
   20   2HB   SER   3           HB1      SER   3  15.040 -16.775 -16.775
   21    HG   SER   3           HG       SER   3  16.037 -17.902 -17.902
   22    H    GLU   4           HN       GLU   4  13.859 -14.957 -14.957
   23    HA   GLU   4           HA       GLU   4  12.462 -17.456 -17.456
   24   1HB   GLU   4           HB2      GLU   4  10.168 -16.832 -16.832
   25   2HB   GLU   4           HB1      GLU   4  11.023 -16.349 -16.349
   26   1HG   GLU   4           HG2      GLU   4  10.416 -14.456 -14.456
   27   2HG   GLU   4           HG1      GLU   4   9.378 -14.639 -14.639
   28    H    ILE   5           HN       ILE   5  12.745 -14.060 -14.060
   29    HA   ILE   5           HA       ILE   5  13.023 -13.207 -13.207
   30    HB   ILE   5           HB       ILE   5  12.368 -15.963 -15.963
   31   1HG1  ILE   5          HG12      ILE   5  15.157 -14.994 -14.994
   32   2HG1  ILE   5          HG11      ILE   5  14.593 -15.313 -15.313
   33   1HG2  ILE   5          HG22      ILE   5  13.593 -13.466 -13.466
   34   2HG2  ILE   5          HG21      ILE   5  13.604 -15.043 -15.043
   35   3HG2  ILE   5          HG23      ILE   5  12.073 -14.233 -14.233
   36   1HD1  ILE   5          HD13      ILE   5  14.222 -17.296 -17.296
   37   2HD1  ILE   5          HD12      ILE   5  15.648 -17.293 -17.293
   38   3HD1  ILE   5          HD11      ILE   5  14.054 -17.582 -17.582
   39    H    GLN   6           HN       GLN   6  10.221 -15.471 -15.471
   40    HA   GLN   6           HA       GLN   6   8.496 -14.103 -14.103
   41   1HB   GLN   6           HB2      GLN   6   6.638 -15.258 -15.258
   42   2HB   GLN   6           HB1      GLN   6   7.984 -16.349 -16.349
   43   1HG   GLN   6           HG2      GLN   6   7.702 -16.906 -16.906
   44   2HG   GLN   6           HG1      GLN   6   8.635 -15.442 -15.442
   45   1HE2  GLN   6          HE21      GLN   6   5.160 -16.313 -16.313
   46   2HE2  GLN   6          HE22      GLN   6   4.544 -15.222 -15.222
   47    H    LEU   7           HN       LEU   7   9.322 -13.256 -13.256
   48    HA   LEU   7           HA       LEU   7   7.158 -11.591 -11.591
   49   1HB   LEU   7           HB2      LEU   7   9.383 -12.287 -12.287
   50   2HB   LEU   7           HB1      LEU   7   9.971 -10.748 -10.748
   51    HG   LEU   7           HG       LEU   7   7.274 -10.675 -10.675
   52   1HD1  LEU   7          HD12      LEU   7   9.790 -11.213 -11.213
   53   2HD1  LEU   7          HD11      LEU   7   8.284 -10.614 -10.614
   54   3HD1  LEU   7          HD13      LEU   7   8.336 -12.209 -12.209
   55   1HD2  LEU   7          HD22      LEU   7   9.799  -9.002  -9.002
   56   2HD2  LEU   7          HD21      LEU   7   8.406  -8.641  -8.641
   57   3HD2  LEU   7          HD23      LEU   7   8.248  -8.597  -8.597
   58    H    MET   8           HN       MET   8  10.151 -10.710 -10.710
   59    HA   MET   8           HA       MET   8   9.196  -8.000  -8.000
   60   1HB   MET   8           HB2      MET   8  11.669  -8.832  -8.832
   61   2HB   MET   8           HB1      MET   8  11.447  -9.389  -9.389
   62   1HG   MET   8           HG2      MET   8  10.555  -6.609  -6.609
   63   2HG   MET   8           HG1      MET   8  12.294  -6.885  -6.885
   64   1HE   MET   8           HE3      MET   8   9.350  -6.139  -6.139
   65   2HE   MET   8           HE2      MET   8  10.644  -5.001  -5.001
   66   3HE   MET   8           HE1      MET   8   9.942  -5.971  -5.971
   67    H    HIS   9           HN       HIS   9   9.488 -11.105 -11.105
   68    HA   HIS   9           HA       HIS   9   8.274  -9.972  -9.972
   69   1HB   HIS   9           HB2      HIS   9  10.095 -11.836 -11.836
   70   2HB   HIS   9           HB1      HIS   9   8.750 -12.915 -12.915
   71    HD1  HIS   9           HD1      HIS   9   7.298 -13.651 -13.651
   72    HD2  HIS   9           HD2      HIS   9   9.884 -10.553 -10.553
   73    HE1  HIS   9           HE1      HIS   9   7.122 -13.389 -13.389
   74    H    ASN  10           HN       ASN  10   6.325  -9.306  -9.306
   75    HA   ASN  10           HA       ASN  10   4.146 -11.201 -11.201
   76   1HB   ASN  10           HB2      ASN  10   5.317 -11.001 -11.001
   77   2HB   ASN  10           HB1      ASN  10   3.648 -10.442 -10.442
   78   1HD2  ASN  10          HD21      ASN  10   5.276 -13.185 -13.185
   79   2HD2  ASN  10          HD22      ASN  10   4.180 -14.344 -14.344
   80    H    LEU  11           HN       LEU  11   4.801  -8.254  -8.254
   81    HA   LEU  11           HA       LEU  11   2.272  -7.025  -7.025
   82   1HB   LEU  11           HB2      LEU  11   3.702  -6.614  -6.614
   83   2HB   LEU  11           HB1      LEU  11   4.626  -5.506  -5.506
   84    HG   LEU  11           HG       LEU  11   2.465  -4.336  -4.336
   85   1HD1  LEU  11          HD12      LEU  11   1.420  -6.293  -6.293
   86   2HD1  LEU  11          HD11      LEU  11   0.588  -4.782  -4.782
   87   3HD1  LEU  11          HD13      LEU  11   0.805  -5.995  -5.995
   88   1HD2  LEU  11          HD23      LEU  11   4.084  -3.723  -3.723
   89   2HD2  LEU  11          HD22      LEU  11   2.462  -3.034  -3.034
   90   3HD2  LEU  11          HD21      LEU  11   2.871  -4.421  -4.421
   91    H    GLY  12           HN       GLY  12   5.709  -6.370  -6.370
   92   1HA   GLY  12           HA2      GLY  12   4.718  -4.936  -4.936
   93   2HA   GLY  12           HA1      GLY  12   6.207  -4.499  -4.499
   94    H    LYS  13           HN       LYS  13   5.084  -7.823  -7.823
   95    HA   LYS  13           HA       LYS  13   7.649  -8.615  -8.615
   96   1HB   LYS  13           HB2      LYS  13   6.419 -10.691 -10.691
   97   2HB   LYS  13           HB1      LYS  13   6.341 -10.379 -10.379
   98   1HG   LYS  13           HG2      LYS  13   4.075  -9.443  -9.443
   99   2HG   LYS  13           HG1      LYS  13   4.161  -9.697  -9.697
  100   1HD   LYS  13           HD2      LYS  13   4.378 -12.110 -12.110
  101   2HD   LYS  13           HD1      LYS  13   4.396 -11.895 -11.895
  102   1HE   LYS  13           HE2      LYS  13   2.078 -10.669 -10.669
  103   2HE   LYS  13           HE1      LYS  13   2.141 -12.428 -12.428
  104   1HZ   LYS  13           HZ3      LYS  13   2.489 -12.390 -12.390
  105   2HZ   LYS  13           HZ2      LYS  13   2.147 -10.724 -10.724
  106   3HZ   LYS  13           HZ1      LYS  13   0.966 -11.845 -11.845
  107    H    HIS  14           HN       HIS  14   4.576  -7.746  -7.746
  108    HA   HIS  14           HA       HIS  14   6.106  -7.391  -7.391
  109   1HB   HIS  14           HB2      HIS  14   3.200  -8.278  -8.278
  110   2HB   HIS  14           HB1      HIS  14   4.239  -8.237  -8.237
  111    HD1  HIS  14           HD1      HIS  14   6.639  -9.787  -9.787
  112    HD2  HIS  14           HD2      HIS  14   2.967 -10.883 -10.883
  113    HE1  HIS  14           HE1      HIS  14   6.860 -12.211 -12.211
  114    H    LEU  15           HN       LEU  15   5.585  -5.423  -5.423
  115    HA   LEU  15           HA       LEU  15   4.006  -3.436  -3.436
  116   1HB   LEU  15           HB2      LEU  15   3.673  -4.030  -4.030
  117   2HB   LEU  15           HB1      LEU  15   2.972  -2.648  -2.648
  118    HG   LEU  15           HG       LEU  15   2.428  -5.486  -5.486
  119   1HD1  LEU  15          HD13      LEU  15   1.702  -4.516  -4.516
  120   2HD1  LEU  15          HD12      LEU  15   0.297  -4.122  -4.122
  121   3HD1  LEU  15          HD11      LEU  15   0.857  -5.788  -5.788
  122   1HD2  LEU  15          HD23      LEU  15   1.957  -3.187  -3.187
  123   2HD2  LEU  15          HD22      LEU  15   0.852  -4.556  -4.556
  124   3HD2  LEU  15          HD21      LEU  15   0.512  -3.219  -3.219
  125    H    ASN  16           HN       ASN  16   5.359  -1.745  -1.745
  126    HA   ASN  16           HA       ASN  16   7.751  -1.407  -1.407
  127   1HB   ASN  16           HB2      ASN  16   6.799   0.000   0.000
  128   2HB   ASN  16           HB1      ASN  16   8.295   0.413   0.413
  129   1HD2  ASN  16          HD21      ASN  16   6.708  -2.106  -2.106
  130   2HD2  ASN  16          HD22      ASN  16   8.115  -3.013  -3.013
  131    H    SER  17           HN       SER  17   6.236  -0.877  -0.877
  132    HA   SER  17           HA       SER  17   5.449   0.620   0.620
  133   1HB   SER  17           HB2      SER  17   7.211   2.444   2.444
  134   2HB   SER  17           HB1      SER  17   6.334   3.027   3.027
  135    HG   SER  17           HG       SER  17   8.548   1.425   1.425
  136    H    MET  18           HN       MET  18   5.325   2.967   2.967
  137    HA   MET  18           HA       MET  18   2.660   3.833   3.833
  138   1HB   MET  18           HB2      MET  18   4.506   4.248   4.248
  139   2HB   MET  18           HB1      MET  18   2.813   4.712   4.712
  140   1HG   MET  18           HG2      MET  18   4.482   5.597   5.597
  141   2HG   MET  18           HG1      MET  18   4.432   6.521   6.521
  142   1HE   MET  18           HE3      MET  18   1.957   6.796   6.796
  143   2HE   MET  18           HE2      MET  18   1.030   7.983   7.983
  144   3HE   MET  18           HE1      MET  18   2.759   8.221   8.221
  145    H    GLU  19           HN       GLU  19   3.856   1.327   1.327
  146    HA   GLU  19           HA       GLU  19   1.288   0.865   0.865
  147   1HB   GLU  19           HB2      GLU  19   3.867  -0.176  -0.176
  148   2HB   GLU  19           HB1      GLU  19   2.907  -1.551  -1.551
  149   1HG   GLU  19           HG2      GLU  19   2.198   0.293   0.293
  150   2HG   GLU  19           HG1      GLU  19   2.848  -1.336  -1.336
  151    H    ARG  20           HN       ARG  20   2.720  -0.178  -0.178
  152    HA   ARG  20           HA       ARG  20   0.869  -2.286  -2.286
  153   1HB   ARG  20           HB2      ARG  20   3.064  -1.936  -1.936
  154   2HB   ARG  20           HB1      ARG  20   2.336  -0.550  -0.550
  155   1HG   ARG  20           HG2      ARG  20   0.511  -2.668  -2.668
  156   2HG   ARG  20           HG1      ARG  20   2.103  -3.370  -3.370
  157   1HD   ARG  20           HD2      ARG  20   0.843  -1.018  -1.018
  158   2HD   ARG  20           HD1      ARG  20   1.412  -2.533  -2.533
  159    HE   ARG  20           HE       ARG  20   3.117  -0.243  -0.243
  160   1HH1  ARG  20          HH21      ARG  20   4.181  -3.090  -3.090
  161   2HH1  ARG  20          HH22      ARG  20   5.212  -3.373  -3.373
  162   1HH2  ARG  20          HH11      ARG  20   3.888  -0.751  -0.751
  163   2HH2  ARG  20          HH12      ARG  20   5.051  -2.032  -2.032
  164    H    VAL  21           HN       VAL  21   0.995   0.970   0.970
  165    HA   VAL  21           HA       VAL  21  -1.605   1.018   1.018
  166    HB   VAL  21           HB       VAL  21   0.104   2.727   2.727
  167   1HG1  VAL  21          HG11      VAL  21   1.113   2.799   2.799
  168   2HG1  VAL  21          HG13      VAL  21  -0.306   3.642   3.642
  169   3HG1  VAL  21          HG12      VAL  21   0.727   4.414   4.414
  170   1HG2  VAL  21          HG23      VAL  21  -2.368   3.315   3.315
  171   2HG2  VAL  21          HG22      VAL  21  -1.284   4.694   4.694
  172   3HG2  VAL  21          HG21      VAL  21  -2.208   4.111   4.111
  173    H    GLU  22           HN       GLU  22  -0.595   1.744   1.744
  174    HA   GLU  22           HA       GLU  22  -3.181   2.662   2.662
  175   1HB   GLU  22           HB2      GLU  22  -0.785   2.825   2.825
  176   2HB   GLU  22           HB1      GLU  22  -1.231   1.273   1.273
  177   1HG   GLU  22           HG2      GLU  22  -3.319   3.383   3.383
  178   2HG   GLU  22           HG1      GLU  22  -1.876   3.682   3.682
  179    H    TRP  23           HN       TRP  23  -1.586  -0.550  -0.550
  180    HA   TRP  23           HA       TRP  23  -3.515  -2.075  -2.075
  181   1HB   TRP  23           HB2      TRP  23  -1.604  -3.317  -3.317
  182   2HB   TRP  23           HB1      TRP  23  -1.469  -2.675  -2.675
  183    HD1  TRP  23           HD1      TRP  23  -3.964  -4.912  -4.912
  184    HE1  TRP  23           HE1      TRP  23  -4.701  -6.833  -6.833
  185    HE3  TRP  23           HE3      TRP  23  -1.411  -3.647  -3.647
  186    HZ2  TRP  23           HZ2      TRP  23  -4.289  -7.688  -7.688
  187    HZ3  TRP  23           HZ3      TRP  23  -1.641  -4.978  -4.978
  188    HH2  TRP  23           HH2      TRP  23  -3.049  -7.014  -7.014
  189    H    LEU  24           HN       LEU  24  -3.496  -1.041  -1.041
  190    HA   LEU  24           HA       LEU  24  -5.858  -2.509  -2.509
  191   1HB   LEU  24           HB2      LEU  24  -4.494  -0.056  -0.056
  192   2HB   LEU  24           HB1      LEU  24  -5.965  -0.718  -0.718
  193    HG   LEU  24           HG       LEU  24  -4.261  -1.738  -1.738
  194   1HD1  LEU  24          HD13      LEU  24  -5.870  -3.413  -3.413
  195   2HD1  LEU  24          HD12      LEU  24  -4.555  -3.770  -3.770
  196   3HD1  LEU  24          HD11      LEU  24  -4.355  -4.085  -4.085
  197   1HD2  LEU  24          HD22      LEU  24  -2.428  -0.938  -0.938
  198   2HD2  LEU  24          HD21      LEU  24  -2.187  -2.592  -2.592
  199   3HD2  LEU  24          HD23      LEU  24  -2.757  -2.290  -2.290
  200    H    ARG  25           HN       ARG  25  -5.307   0.889   0.889
  201    HA   ARG  25           HA       ARG  25  -8.033   1.791   1.791
  202   1HB   ARG  25           HB2      ARG  25  -6.244   3.408   3.408
  203   2HB   ARG  25           HB1      ARG  25  -5.556   2.647   2.647
  204   1HG   ARG  25           HG2      ARG  25  -8.200   3.306   3.306
  205   2HG   ARG  25           HG1      ARG  25  -7.605   4.698   4.698
  206   1HD   ARG  25           HD2      ARG  25  -7.013   5.042   5.042
  207   2HD   ARG  25           HD1      ARG  25  -5.530   4.626   4.626
  208    HE   ARG  25           HE       ARG  25  -5.642   2.387   2.387
  209   1HH1  ARG  25          HH21      ARG  25  -8.653   2.399   2.399
  210   2HH1  ARG  25          HH22      ARG  25  -8.721   2.554   2.554
  211   1HH2  ARG  25          HH11      ARG  25  -5.398   3.567   3.567
  212   2HH2  ARG  25          HH12      ARG  25  -6.863   3.221   3.221
  213    H    LYS  26           HN       LYS  26  -6.035   0.195   0.195
  214    HA   LYS  26           HA       LYS  26  -7.904   0.225   0.225
  215   1HB   LYS  26           HB2      LYS  26  -5.291  -0.598  -0.598
  216   2HB   LYS  26           HB1      LYS  26  -6.130  -2.140  -2.140
  217   1HG   LYS  26           HG2      LYS  26  -7.254  -1.178  -1.178
  218   2HG   LYS  26           HG1      LYS  26  -6.034   0.095   0.095
  219   1HD   LYS  26           HD2      LYS  26  -5.096  -2.742  -2.742
  220   2HD   LYS  26           HD1      LYS  26  -5.615  -2.177  -2.177
  221   1HE   LYS  26           HE2      LYS  26  -3.391  -1.561  -1.561
  222   2HE   LYS  26           HE1      LYS  26  -4.054  -0.098  -0.098
  223   1HZ   LYS  26           HZ1      LYS  26  -2.922  -2.370  -2.370
  224   2HZ   LYS  26           HZ3      LYS  26  -2.063  -0.964  -0.964
  225   3HZ   LYS  26           HZ2      LYS  26  -3.421  -0.865  -0.865
  226    H    LYS  27           HN       LYS  27  -7.280  -2.085  -2.085
  227    HA   LYS  27           HA       LYS  27  -9.037  -4.171  -4.171
  228   1HB   LYS  27           HB2      LYS  27  -7.291  -4.092  -4.092
  229   2HB   LYS  27           HB1      LYS  27  -8.554  -3.335  -3.335
  230   1HG   LYS  27           HG2      LYS  27  -8.412  -5.809  -5.809
  231   2HG   LYS  27           HG1      LYS  27  -9.986  -5.278  -5.278
  232   1HD   LYS  27           HD2      LYS  27  -9.301  -7.287  -7.287
  233   2HD   LYS  27           HD1      LYS  27  -9.320  -5.919  -5.919
  234   1HE   LYS  27           HE2      LYS  27  -6.739  -6.420  -6.420
  235   2HE   LYS  27           HE1      LYS  27  -7.227  -7.645  -7.645
  236   1HZ   LYS  27           HZ3      LYS  27  -7.673  -5.588  -5.588
  237   2HZ   LYS  27           HZ2      LYS  27  -6.606  -4.799  -4.799
  238   3HZ   LYS  27           HZ1      LYS  27  -6.088  -6.161  -6.161
  239    H    LEU  28           HN       LEU  28  -9.702  -1.222  -1.222
  240    HA   LEU  28           HA       LEU  28 -12.512  -1.845  -1.845
  241   1HB   LEU  28           HB2      LEU  28 -10.749   0.564   0.564
  242   2HB   LEU  28           HB1      LEU  28 -12.484   0.832   0.832
  243    HG   LEU  28           HG       LEU  28 -11.710   0.588   0.588
  244   1HD1  LEU  28          HD12      LEU  28 -13.970  -0.355  -0.355
  245   2HD1  LEU  28          HD11      LEU  28 -13.233  -1.935  -1.935
  246   3HD1  LEU  28          HD13      LEU  28 -13.439  -0.815  -0.815
  247   1HD2  LEU  28          HD22      LEU  28  -9.784  -0.945  -0.945
  248   2HD2  LEU  28          HD21      LEU  28 -10.753  -1.472  -1.472
  249   3HD2  LEU  28          HD23      LEU  28 -10.946  -2.255  -2.255
  250    H    GLN  29           HN       GLN  29 -10.709   0.082   0.082
  251    HA   GLN  29           HA       GLN  29 -13.176   0.653   0.653
  252   1HB   GLN  29           HB2      GLN  29 -11.055   2.215   2.215
  253   2HB   GLN  29           HB1      GLN  29 -10.446   1.431   1.431
  254   1HG   GLN  29           HG2      GLN  29 -13.221   2.304   2.304
  255   2HG   GLN  29           HG1      GLN  29 -12.144   3.640   3.640
  256   1HE2  GLN  29          HE21      GLN  29 -13.289   1.769   1.769
  257   2HE2  GLN  29          HE22      GLN  29 -12.078   2.158   2.158
  258    H    ASP  30           HN       ASP  30 -12.222  -2.178  -2.178
  259    HA   ASP  30           HA       ASP  30 -11.109  -2.720  -2.720
  260   1HB   ASP  30           HB2      ASP  30 -10.991  -4.048  -4.048
  261   2HB   ASP  30           HB1      ASP  30 -11.709  -5.147  -5.147
  262    H    VAL  31           HN       VAL  31 -13.946  -3.729  -3.729
  263    HA   VAL  31           HA       VAL  31 -15.572  -3.867  -3.867
  264    HB   VAL  31           HB       VAL  31 -15.643  -6.145  -6.145
  265   1HG1  VAL  31          HG11      VAL  31 -16.760  -5.754  -5.754
  266   2HG1  VAL  31          HG13      VAL  31 -16.792  -7.290  -7.290
  267   3HG1  VAL  31          HG12      VAL  31 -17.680  -5.903  -5.903
  268   1HG2  VAL  31          HG22      VAL  31 -14.132  -5.968  -5.968
  269   2HG2  VAL  31          HG21      VAL  31 -13.449  -6.267  -6.267
  270   3HG2  VAL  31          HG23      VAL  31 -14.471  -7.484  -7.484
  271    H    HIS  32           HN       HIS  32 -15.997  -1.787  -1.787
  272    HA   HIS  32           HA       HIS  32 -17.896  -2.150  -2.150
  273   1HB   HIS  32           HB2      HIS  32 -18.021   0.400   0.400
  274   2HB   HIS  32           HB1      HIS  32 -16.428  -0.254  -0.254
  275    HD1  HIS  32           HD1      HIS  32 -18.368   1.555   1.555
  276    HD2  HIS  32           HD2      HIS  32 -14.479   0.222   0.222
  277    HE1  HIS  32           HE1      HIS  32 -16.928   2.647   2.647
  278    H    ASN  33           HN       ASN  33 -19.106  -3.502  -3.502
  279    HA   ASN  33           HA       ASN  33 -21.139  -3.800  -3.800
  280   1HB   ASN  33           HB2      ASN  33 -21.510  -0.785  -0.785
  281   2HB   ASN  33           HB1      ASN  33 -22.719  -1.936  -1.936
  282   1HD2  ASN  33          HD21      ASN  33 -21.268  -0.503  -0.503
  283   2HD2  ASN  33          HD22      ASN  33 -22.149  -1.396  -1.396
  284    H    PHE  34           HN       PHE  34 -19.626  -0.756  -0.756
  285    HA   PHE  34           HA       PHE  34 -18.885  -0.101  -0.101
  286   1HB   PHE  34           HB2      PHE  34 -18.419  -3.034  -3.034
  287   2HB   PHE  34           HB1      PHE  34 -18.374  -2.245  -2.245
  288    HD1  PHE  34           HD1      PHE  34 -16.895  -2.281  -2.281
  289    HD2  PHE  34           HD2      PHE  34 -16.611  -0.707  -0.707
  290    HE1  PHE  34           HE1      PHE  34 -14.636  -1.393  -1.393
  291    HE2  PHE  34           HE2      PHE  34 -14.353   0.178   0.178
  292    HZ   PHE  34           HZ       PHE  34 -13.366  -0.166  -0.166
  293    H    VAL  35           HN       VAL  35 -21.935  -1.313  -1.313
  294    HA   VAL  35           HA       VAL  35 -22.814  -0.316  -0.316
  295    HB   VAL  35           HB       VAL  35 -24.219  -2.492  -2.492
  296   1HG1  VAL  35          HG12      VAL  35 -22.184  -1.615  -1.615
  297   2HG1  VAL  35          HG11      VAL  35 -21.278  -2.878  -2.878
  298   3HG1  VAL  35          HG13      VAL  35 -22.647  -3.306  -3.306
  299   1HG2  VAL  35          HG21      VAL  35 -23.399  -3.427  -3.427
  300   2HG2  VAL  35          HG23      VAL  35 -23.412  -4.530  -4.530
  301   3HG2  VAL  35          HG22      VAL  35 -21.897  -3.801  -3.801
  302    H    ALA  36           HN       ALA  36 -23.265   0.676   0.676
  303    HA   ALA  36           HA       ALA  36 -26.207   0.272   0.272
  304   1HB   ALA  36           HB3      ALA  36 -24.181   0.229   0.229
  305   2HB   ALA  36           HB2      ALA  36 -25.930   0.293   0.293
  306   3HB   ALA  36           HB1      ALA  36 -25.190  -1.117  -1.117
  307    H    LEU  37           HN       LEU  37 -26.119   2.321   2.321
  308    HA   LEU  37           HA       LEU  37 -26.388   4.615   4.615
  309   1HB   LEU  37           HB2      LEU  37 -26.603   4.366   4.366
  310   2HB   LEU  37           HB1      LEU  37 -26.816   5.895   5.895
  311    HG   LEU  37           HG       LEU  37 -28.450   4.266   4.266
  312   1HD1  LEU  37          HD13      LEU  37 -28.547   3.307   3.307
  313   2HD1  LEU  37          HD12      LEU  37 -29.789   2.967   2.967
  314   3HD1  LEU  37          HD11      LEU  37 -28.158   2.337   2.337
  315   1HD2  LEU  37          HD22      LEU  37 -29.156   5.788   5.788
  316   2HD2  LEU  37          HD21      LEU  37 -29.038   6.473   6.473
  317   3HD2  LEU  37          HD23      LEU  37 -30.306   5.305   5.305
  318    H    GLY  38           HN       GLY  38 -24.506   4.856   4.856
  319   1HA   GLY  38           HA2      GLY  38 -22.390   6.312   6.312
  320   2HA   GLY  38           HA1      GLY  38 -22.718   6.517   6.517
  321    H    ALA  39           HN       ALA  39 -22.781   3.901   3.901
  322    HA   ALA  39           HA       ALA  39 -19.967   3.220   3.220
  323   1HB   ALA  39           HB2      ALA  39 -21.681   2.871   2.871
  324   2HB   ALA  39           HB1      ALA  39 -22.239   1.463   1.463
  325   3HB   ALA  39           HB3      ALA  39 -20.581   1.525   1.525

  Start of MODEL   10
    1   1H    SER   1           HT3      SER   1  19.026  -3.485  -3.485
    2   2H    SER   1           HT2      SER   1  19.878  -4.887  -4.887
    3   3H    SER   1           HT1      SER   1  20.539  -3.353  -3.353
    4    HA   SER   1           HA       SER   1  19.653  -4.322  -4.322
    5   1HB   SER   1           HB2      SER   1  17.877  -5.657  -5.657
    6   2HB   SER   1           HB1      SER   1  16.937  -4.168  -4.168
    7    HG   SER   1           HG       SER   1  16.512  -4.351  -4.351
    8    H    VAL   2           HN       VAL   2  18.914  -2.869  -2.869
    9    HA   VAL   2           HA       VAL   2  17.966  -0.189  -0.189
   10    HB   VAL   2           HB       VAL   2  19.329   0.837   0.837
   11   1HG1  VAL   2          HG13      VAL   2  20.059   0.677   0.677
   12   2HG1  VAL   2          HG12      VAL   2  21.054  -0.699  -0.699
   13   3HG1  VAL   2          HG11      VAL   2  21.360   0.893   0.893
   14   1HG2  VAL   2          HG22      VAL   2  19.634  -1.218  -1.218
   15   2HG2  VAL   2          HG21      VAL   2  21.179  -0.470  -0.470
   16   3HG2  VAL   2          HG23      VAL   2  20.644  -1.906  -1.906
   17    H    SER   3           HN       SER   3  16.406   0.813   0.813
   18    HA   SER   3           HA       SER   3  14.718   1.041   1.041
   19   1HB   SER   3           HB2      SER   3  16.713   0.453   0.453
   20   2HB   SER   3           HB1      SER   3  15.948  -1.129  -1.129
   21    HG   SER   3           HG       SER   3  15.128   1.335   1.335
   22    H    GLU   4           HN       GLU   4  12.877  -0.236  -0.236
   23    HA   GLU   4           HA       GLU   4  12.278  -2.641  -2.641
   24   1HB   GLU   4           HB2      GLU   4  10.613  -0.356  -0.356
   25   2HB   GLU   4           HB1      GLU   4   9.833  -1.922  -1.922
   26   1HG   GLU   4           HG2      GLU   4   9.567  -0.748  -0.748
   27   2HG   GLU   4           HG1      GLU   4  10.809  -1.965  -1.965
   28    H    ILE   5           HN       ILE   5  13.776  -2.718  -2.718
   29    HA   ILE   5           HA       ILE   5  12.116  -3.543  -3.543
   30    HB   ILE   5           HB       ILE   5  14.546  -2.951  -2.951
   31   1HG1  ILE   5          HG12      ILE   5  15.124  -4.988  -4.988
   32   2HG1  ILE   5          HG11      ILE   5  13.521  -5.577  -5.577
   33   1HG2  ILE   5          HG23      ILE   5  15.301  -4.243  -4.243
   34   2HG2  ILE   5          HG22      ILE   5  15.084  -5.726  -5.726
   35   3HG2  ILE   5          HG21      ILE   5  16.276  -4.533  -4.533
   36   1HD1  ILE   5          HD13      ILE   5  12.684  -3.229  -3.229
   37   2HD1  ILE   5          HD12      ILE   5  14.255  -3.060  -3.060
   38   3HD1  ILE   5          HD11      ILE   5  13.158  -4.350  -4.350
   39    H    GLN   6           HN       GLN   6  13.305  -5.321  -5.321
   40    HA   GLN   6           HA       GLN   6  12.589  -7.975  -7.975
   41   1HB   GLN   6           HB2      GLN   6  12.966  -6.850  -6.850
   42   2HB   GLN   6           HB1      GLN   6  12.660  -8.554  -8.554
   43   1HG   GLN   6           HG2      GLN   6  14.874  -8.833  -8.833
   44   2HG   GLN   6           HG1      GLN   6  14.753  -7.817  -7.817
   45   1HE2  GLN   6          HE21      GLN   6  16.248  -8.034  -8.034
   46   2HE2  GLN   6          HE22      GLN   6  16.727  -6.412  -6.412
   47    H    LEU   7           HN       LEU   7  10.902  -5.547  -5.547
   48    HA   LEU   7           HA       LEU   7   8.473  -7.079  -7.079
   49   1HB   LEU   7           HB2      LEU   7   9.373  -4.288  -4.288
   50   2HB   LEU   7           HB1      LEU   7   7.646  -4.477  -4.477
   51    HG   LEU   7           HG       LEU   7   8.244  -4.647  -4.647
   52   1HD1  LEU   7          HD12      LEU   7   6.309  -5.927  -5.927
   53   2HD1  LEU   7          HD11      LEU   7   7.338  -7.356  -7.356
   54   3HD1  LEU   7          HD13      LEU   7   6.867  -6.523  -6.523
   55   1HD2  LEU   7          HD22      LEU   7  10.506  -5.719  -5.719
   56   2HD2  LEU   7          HD21      LEU   7   9.568  -6.461  -6.461
   57   3HD2  LEU   7          HD23      LEU   7   9.652  -7.234  -7.234
   58    H    MET   8           HN       MET   8   9.565  -4.727  -4.727
   59    HA   MET   8           HA       MET   8   7.033  -4.496  -4.496
   60   1HB   MET   8           HB2      MET   8   9.892  -3.887  -3.887
   61   2HB   MET   8           HB1      MET   8   8.511  -3.573  -3.573
   62   1HG   MET   8           HG2      MET   8   7.566  -2.019  -2.019
   63   2HG   MET   8           HG1      MET   8   8.672  -2.514  -2.514
   64   1HE   MET   8           HE2      MET   8   9.241  -0.457  -0.457
   65   2HE   MET   8           HE1      MET   8  10.366   0.668   0.668
   66   3HE   MET   8           HE3      MET   8   8.645   0.725   0.725
   67    H    HIS   9           HN       HIS   9   9.797  -6.730  -6.730
   68    HA   HIS   9           HA       HIS   9   8.851  -7.912  -7.912
   69   1HB   HIS   9           HB2      HIS   9  11.292  -7.866  -7.866
   70   2HB   HIS   9           HB1      HIS   9  10.801  -9.219  -9.219
   71    HD1  HIS   9           HD1      HIS   9   9.929 -11.397 -11.397
   72    HD2  HIS   9           HD2      HIS   9  11.711  -8.521  -8.521
   73    HE1  HIS   9           HE1      HIS   9  10.409 -12.530 -12.530
   74    H    ASN  10           HN       ASN  10   8.831  -8.871  -8.871
   75    HA   ASN  10           HA       ASN  10   7.407 -11.359 -11.359
   76   1HB   ASN  10           HB2      ASN  10   8.709 -10.778 -10.778
   77   2HB   ASN  10           HB1      ASN  10   7.469  -9.597  -9.597
   78   1HD2  ASN  10          HD21      ASN  10   8.105 -13.093 -13.093
   79   2HD2  ASN  10          HD22      ASN  10   6.722 -13.582 -13.582
   80    H    LEU  11           HN       LEU  11   6.273  -8.167  -8.167
   81    HA   LEU  11           HA       LEU  11   3.483  -8.896  -8.896
   82   1HB   LEU  11           HB2      LEU  11   4.310  -7.831  -7.831
   83   2HB   LEU  11           HB1      LEU  11   4.161  -6.333  -6.333
   84    HG   LEU  11           HG       LEU  11   2.088  -6.846  -6.846
   85   1HD1  LEU  11          HD13      LEU  11   2.094  -5.746  -5.746
   86   2HD1  LEU  11          HD12      LEU  11   1.492  -7.295  -7.295
   87   3HD1  LEU  11          HD11      LEU  11   0.561  -6.381  -6.381
   88   1HD2  LEU  11          HD22      LEU  11   2.422  -9.370  -9.370
   89   2HD2  LEU  11          HD21      LEU  11   0.775  -8.802  -8.802
   90   3HD2  LEU  11          HD23      LEU  11   1.776  -9.270  -9.270
   91    H    GLY  12           HN       GLY  12   2.952  -8.278  -8.278
   92   1HA   GLY  12           HA2      GLY  12   2.435  -6.373  -6.373
   93   2HA   GLY  12           HA1      GLY  12   3.979  -5.658  -5.658
   94    H    LYS  13           HN       LYS  13   5.828  -7.559  -7.559
   95    HA   LYS  13           HA       LYS  13   7.123  -8.816  -8.816
   96   1HB   LYS  13           HB2      LYS  13   4.964 -10.196 -10.196
   97   2HB   LYS  13           HB1      LYS  13   4.673  -9.347  -9.347
   98   1HG   LYS  13           HG2      LYS  13   7.158 -10.070 -10.070
   99   2HG   LYS  13           HG1      LYS  13   6.856 -11.291 -11.291
  100   1HD   LYS  13           HD2      LYS  13   6.227 -12.336 -12.336
  101   2HD   LYS  13           HD1      LYS  13   4.702 -11.840 -11.840
  102   1HE   LYS  13           HE2      LYS  13   5.724  -9.657  -9.657
  103   2HE   LYS  13           HE1      LYS  13   5.716 -11.119 -11.119
  104   1HZ   LYS  13           HZ2      LYS  13   3.396 -11.472 -11.472
  105   2HZ   LYS  13           HZ1      LYS  13   3.412 -10.048 -10.048
  106   3HZ   LYS  13           HZ3      LYS  13   3.603  -9.965  -9.965
  107    H    HIS  14           HN       HIS  14   4.750  -7.389  -7.389
  108    HA   HIS  14           HA       HIS  14   7.069  -5.960  -5.960
  109   1HB   HIS  14           HB2      HIS  14   5.565  -7.859  -7.859
  110   2HB   HIS  14           HB1      HIS  14   4.580  -6.444  -6.444
  111    HD1  HIS  14           HD1      HIS  14   5.866  -4.435  -4.435
  112    HD2  HIS  14           HD2      HIS  14   7.885  -8.080  -8.080
  113    HE1  HIS  14           HE1      HIS  14   7.697  -4.297  -4.297
  114    H    LEU  15           HN       LEU  15   6.005  -4.654  -4.654
  115    HA   LEU  15           HA       LEU  15   4.376  -2.466  -2.466
  116   1HB   LEU  15           HB2      LEU  15   3.873  -4.002  -4.002
  117   2HB   LEU  15           HB1      LEU  15   3.485  -2.285  -2.285
  118    HG   LEU  15           HG       LEU  15   2.547  -3.813  -3.813
  119   1HD1  LEU  15          HD13      LEU  15   2.215  -5.262  -5.262
  120   2HD1  LEU  15          HD12      LEU  15   0.949  -4.091  -4.091
  121   3HD1  LEU  15          HD11      LEU  15   0.866  -5.048  -5.048
  122   1HD2  LEU  15          HD21      LEU  15   2.096  -1.348  -1.348
  123   2HD2  LEU  15          HD23      LEU  15   0.722  -2.310  -2.310
  124   3HD2  LEU  15          HD22      LEU  15   0.970  -2.021  -2.021
  125    H    ASN  16           HN       ASN  16   6.128  -3.195  -3.195
  126    HA   ASN  16           HA       ASN  16   7.706  -2.004  -2.004
  127   1HB   ASN  16           HB2      ASN  16   8.347  -0.778  -0.778
  128   2HB   ASN  16           HB1      ASN  16   9.350  -0.632  -0.632
  129   1HD2  ASN  16          HD21      ASN  16  10.509  -2.588  -2.588
  130   2HD2  ASN  16          HD22      ASN  16  10.648  -3.949  -3.949
  131    H    SER  17           HN       SER  17   6.290  -0.874  -0.874
  132    HA   SER  17           HA       SER  17   5.533   1.053   1.053
  133   1HB   SER  17           HB2      SER  17   6.245   2.664   2.664
  134   2HB   SER  17           HB1      SER  17   5.852   3.285   3.285
  135    HG   SER  17           HG       SER  17   8.187   2.129   2.129
  136    H    MET  18           HN       MET  18   4.633   0.902   0.902
  137    HA   MET  18           HA       MET  18   2.012   2.025   2.025
  138   1HB   MET  18           HB2      MET  18   3.130   0.245   0.245
  139   2HB   MET  18           HB1      MET  18   1.536   0.997   0.997
  140   1HG   MET  18           HG2      MET  18   4.044   2.623   2.623
  141   2HG   MET  18           HG1      MET  18   3.459   2.253   2.253
  142   1HE   MET  18           HE2      MET  18   2.501   3.883   3.883
  143   2HE   MET  18           HE1      MET  18   0.979   3.037   3.037
  144   3HE   MET  18           HE3      MET  18   1.049   4.800   4.800
  145    H    GLU  19           HN       GLU  19   3.235  -1.218  -1.218
  146    HA   GLU  19           HA       GLU  19   0.713  -2.614  -2.614
  147   1HB   GLU  19           HB2      GLU  19   1.765  -4.466  -4.466
  148   2HB   GLU  19           HB1      GLU  19   3.099  -3.633  -3.633
  149   1HG   GLU  19           HG2      GLU  19   2.444  -3.103  -3.103
  150   2HG   GLU  19           HG1      GLU  19   3.417  -4.487  -4.487
  151    H    ARG  20           HN       ARG  20   1.662  -0.188  -0.188
  152    HA   ARG  20           HA       ARG  20  -0.494  -1.000  -1.000
  153   1HB   ARG  20           HB2      ARG  20   1.823  -1.336  -1.336
  154   2HB   ARG  20           HB1      ARG  20   2.105   0.391   0.391
  155   1HG   ARG  20           HG2      ARG  20  -0.371   0.015   0.015
  156   2HG   ARG  20           HG1      ARG  20   0.888  -0.947  -0.947
  157   1HD   ARG  20           HD2      ARG  20   2.313   0.964   0.964
  158   2HD   ARG  20           HD1      ARG  20   1.294   1.946   1.946
  159    HE   ARG  20           HE       ARG  20  -0.314   2.142   2.142
  160   1HH1  ARG  20          HH21      ARG  20   2.058   2.789   2.789
  161   2HH1  ARG  20          HH22      ARG  20   1.941   1.687   1.687
  162   1HH2  ARG  20          HH11      ARG  20  -0.325  -0.421  -0.421
  163   2HH2  ARG  20          HH12      ARG  20   0.576  -0.150  -0.150
  164    H    VAL  21           HN       VAL  21  -0.536   0.805   0.805
  165    HA   VAL  21           HA       VAL  21  -1.916   3.067   3.067
  166    HB   VAL  21           HB       VAL  21   0.336   3.981   3.981
  167   1HG1  VAL  21          HG12      VAL  21   1.135   2.367   2.367
  168   2HG1  VAL  21          HG11      VAL  21   0.747   3.709   3.709
  169   3HG1  VAL  21          HG13      VAL  21   1.931   3.923   3.923
  170   1HG2  VAL  21          HG21      VAL  21  -1.549   5.459   5.459
  171   2HG2  VAL  21          HG23      VAL  21   0.081   5.994   5.994
  172   3HG2  VAL  21          HG22      VAL  21  -0.907   5.177   5.177
  173    H    GLU  22           HN       GLU  22  -0.495   2.087   2.087
  174    HA   GLU  22           HA       GLU  22  -2.929   2.887   2.887
  175   1HB   GLU  22           HB2      GLU  22  -0.278   2.313   2.313
  176   2HB   GLU  22           HB1      GLU  22  -1.232   0.996   0.996
  177   1HG   GLU  22           HG2      GLU  22  -1.806   3.955   3.955
  178   2HG   GLU  22           HG1      GLU  22  -1.079   2.897   2.897
  179    H    TRP  23           HN       TRP  23  -1.526  -0.024  -0.024
  180    HA   TRP  23           HA       TRP  23  -3.083  -2.135  -2.135
  181   1HB   TRP  23           HB2      TRP  23  -1.342  -2.681  -2.681
  182   2HB   TRP  23           HB1      TRP  23  -1.922  -1.503  -1.503
  183    HD1  TRP  23           HD1      TRP  23  -3.659  -4.474  -4.474
  184    HE1  TRP  23           HE1      TRP  23  -4.869  -5.883  -5.883
  185    HE3  TRP  23           HE3      TRP  23  -2.353  -1.863  -1.863
  186    HZ2  TRP  23           HZ2      TRP  23  -5.244  -5.866  -5.866
  187    HZ3  TRP  23           HZ3      TRP  23  -3.179  -2.536  -2.536
  188    HH2  TRP  23           HH2      TRP  23  -4.607  -4.544  -4.544
  189    H    LEU  24           HN       LEU  24  -3.837   0.187   0.187
  190    HA   LEU  24           HA       LEU  24  -6.319  -0.921  -0.921
  191   1HB   LEU  24           HB2      LEU  24  -5.189   1.893   1.893
  192   2HB   LEU  24           HB1      LEU  24  -6.734   1.447   1.447
  193    HG   LEU  24           HG       LEU  24  -5.147   1.237   1.237
  194   1HD1  LEU  24          HD13      LEU  24  -6.690  -0.771  -0.771
  195   2HD1  LEU  24          HD12      LEU  24  -5.315  -1.589  -1.589
  196   3HD1  LEU  24          HD11      LEU  24  -5.241  -1.097  -1.097
  197   1HD2  LEU  24          HD22      LEU  24  -3.161   1.242   1.242
  198   2HD2  LEU  24          HD21      LEU  24  -2.990   0.235   0.235
  199   3HD2  LEU  24          HD23      LEU  24  -3.377  -0.501  -0.501
  200    H    ARG  25           HN       ARG  25  -5.567   1.641   1.641
  201    HA   ARG  25           HA       ARG  25  -8.288   2.216   2.216
  202   1HB   ARG  25           HB2      ARG  25  -5.582   2.637   2.637
  203   2HB   ARG  25           HB1      ARG  25  -7.027   2.924   2.924
  204   1HG   ARG  25           HG2      ARG  25  -6.920   5.014   5.014
  205   2HG   ARG  25           HG1      ARG  25  -7.695   4.246   4.246
  206   1HD   ARG  25           HD2      ARG  25  -5.821   5.413   5.413
  207   2HD   ARG  25           HD1      ARG  25  -5.335   3.721   3.721
  208    HE   ARG  25           HE       ARG  25  -4.187   4.365   4.365
  209   1HH1  ARG  25          HH11      ARG  25  -3.128   5.384   5.384
  210   2HH1  ARG  25          HH12      ARG  25  -2.549   6.945   6.945
  211   1HH2  ARG  25          HH21      ARG  25  -4.171   6.891   6.891
  212   2HH2  ARG  25          HH22      ARG  25  -3.146   7.807   7.807
  213    H    LYS  26           HN       LYS  26  -5.957  -0.268  -0.268
  214    HA   LYS  26           HA       LYS  26  -7.512  -1.198  -1.198
  215   1HB   LYS  26           HB2      LYS  26  -5.232  -2.462  -2.462
  216   2HB   LYS  26           HB1      LYS  26  -5.945  -3.178  -3.178
  217   1HG   LYS  26           HG2      LYS  26  -5.337  -1.177  -1.177
  218   2HG   LYS  26           HG1      LYS  26  -4.628  -0.445  -0.445
  219   1HD   LYS  26           HD2      LYS  26  -3.621  -3.157  -3.157
  220   2HD   LYS  26           HD1      LYS  26  -3.273  -2.029  -2.029
  221   1HE   LYS  26           HE2      LYS  26  -2.773  -0.752  -0.752
  222   2HE   LYS  26           HE1      LYS  26  -1.895  -2.277  -2.277
  223   1HZ   LYS  26           HZ1      LYS  26  -1.126  -1.513  -1.513
  224   2HZ   LYS  26           HZ3      LYS  26  -1.758   0.016   0.016
  225   3HZ   LYS  26           HZ2      LYS  26  -0.504  -0.647  -0.647
  226    H    LYS  27           HN       LYS  27  -6.989  -2.243  -2.243
  227    HA   LYS  27           HA       LYS  27  -8.613  -4.568  -4.568
  228   1HB   LYS  27           HB2      LYS  27  -7.065  -3.130  -3.130
  229   2HB   LYS  27           HB1      LYS  27  -8.683  -2.908  -2.908
  230   1HG   LYS  27           HG2      LYS  27  -7.492  -5.606  -5.606
  231   2HG   LYS  27           HG1      LYS  27  -7.479  -4.931  -4.931
  232   1HD   LYS  27           HD2      LYS  27  -9.507  -5.872  -5.872
  233   2HD   LYS  27           HD1      LYS  27 -10.148  -4.690  -4.690
  234   1HE   LYS  27           HE2      LYS  27  -9.152  -6.493  -6.493
  235   2HE   LYS  27           HE1      LYS  27  -9.521  -7.571  -7.571
  236   1HZ   LYS  27           HZ3      LYS  27 -11.421  -5.656  -5.656
  237   2HZ   LYS  27           HZ2      LYS  27 -11.399  -7.336  -7.336
  238   3HZ   LYS  27           HZ1      LYS  27 -11.776  -6.712  -6.712
  239    H    LEU  28           HN       LEU  28  -9.445  -1.127  -1.127
  240    HA   LEU  28           HA       LEU  28 -12.231  -1.553  -1.553
  241   1HB   LEU  28           HB2      LEU  28 -10.725   0.874   0.874
  242   2HB   LEU  28           HB1      LEU  28 -12.432   0.913   0.913
  243    HG   LEU  28           HG       LEU  28 -10.422  -0.177  -0.177
  244   1HD1  LEU  28          HD11      LEU  28  -9.559   2.030   2.030
  245   2HD1  LEU  28          HD13      LEU  28 -11.121   2.754   2.754
  246   3HD1  LEU  28          HD12      LEU  28 -10.123   2.070   2.070
  247   1HD2  LEU  28          HD23      LEU  28 -13.096   1.246   1.246
  248   2HD2  LEU  28          HD22      LEU  28 -12.775  -0.455  -0.455
  249   3HD2  LEU  28          HD21      LEU  28 -12.111   0.792   0.792
  250    H    GLN  29           HN       GLN  29 -10.491  -1.055  -1.055
  251    HA   GLN  29           HA       GLN  29 -12.950  -0.807  -0.807
  252   1HB   GLN  29           HB2      GLN  29 -10.366  -0.016  -0.016
  253   2HB   GLN  29           HB1      GLN  29 -10.422  -1.468  -1.468
  254   1HG   GLN  29           HG2      GLN  29 -12.796   0.255   0.255
  255   2HG   GLN  29           HG1      GLN  29 -11.293   1.030   1.030
  256   1HE2  GLN  29          HE21      GLN  29  -9.824  -0.714  -0.714
  257   2HE2  GLN  29          HE22      GLN  29 -10.693  -1.506  -1.506
  258    H    ASP  30           HN       ASP  30 -11.756  -3.533  -3.533
  259    HA   ASP  30           HA       ASP  30 -11.592  -5.520  -5.520
  260   1HB   ASP  30           HB2      ASP  30 -12.133  -5.495  -5.495
  261   2HB   ASP  30           HB1      ASP  30 -12.646  -6.936  -6.936
  262    H    VAL  31           HN       VAL  31 -14.467  -4.652  -4.652
  263    HA   VAL  31           HA       VAL  31 -16.303  -6.298  -6.298
  264    HB   VAL  31           HB       VAL  31 -16.936  -3.889  -3.889
  265   1HG1  VAL  31          HG12      VAL  31 -18.636  -6.211  -6.211
  266   2HG1  VAL  31          HG11      VAL  31 -19.141  -5.059  -5.059
  267   3HG1  VAL  31          HG13      VAL  31 -18.843  -4.509  -4.509
  268   1HG2  VAL  31          HG23      VAL  31 -16.573  -6.834  -6.834
  269   2HG2  VAL  31          HG22      VAL  31 -15.736  -5.462  -5.462
  270   3HG2  VAL  31          HG21      VAL  31 -17.443  -5.734  -5.734
  271    H    HIS  32           HN       HIS  32 -15.404  -2.842  -2.842
  272    HA   HIS  32           HA       HIS  32 -17.308  -1.992  -1.992
  273   1HB   HIS  32           HB2      HIS  32 -15.761  -0.535  -0.535
  274   2HB   HIS  32           HB1      HIS  32 -14.467  -0.964  -0.964
  275    HD1  HIS  32           HD1      HIS  32 -14.283   0.423   0.423
  276    HD2  HIS  32           HD2      HIS  32 -18.022   0.826   0.826
  277    HE1  HIS  32           HE1      HIS  32 -15.512   2.202   2.202
  278    H    ASN  33           HN       ASN  33 -14.149  -3.607  -3.607
  279    HA   ASN  33           HA       ASN  33 -14.306  -3.451  -3.451
  280   1HB   ASN  33           HB2      ASN  33 -12.188  -3.437  -3.437
  281   2HB   ASN  33           HB1      ASN  33 -12.236  -5.143  -5.143
  282   1HD2  ASN  33          HD21      ASN  33 -11.821  -5.717  -5.717
  283   2HD2  ASN  33          HD22      ASN  33 -11.173  -4.584  -4.584
  284    H    PHE  34           HN       PHE  34 -15.044  -5.774  -5.774
  285    HA   PHE  34           HA       PHE  34 -14.951  -8.127  -8.127
  286   1HB   PHE  34           HB2      PHE  34 -14.669  -8.011  -8.011
  287   2HB   PHE  34           HB1      PHE  34 -16.428  -7.956  -7.956
  288    HD1  PHE  34           HD2      PHE  34 -13.495  -9.976  -9.976
  289    HD2  PHE  34           HD1      PHE  34 -17.763  -9.899  -9.899
  290    HE1  PHE  34           HE2      PHE  34 -13.574 -12.433 -12.433
  291    HE2  PHE  34           HE1      PHE  34 -17.842 -12.357 -12.357
  292    HZ   PHE  34           HZ       PHE  34 -15.747 -13.625 -13.625
  293    H    VAL  35           HN       VAL  35 -16.311  -7.527  -7.527
  294    HA   VAL  35           HA       VAL  35 -18.293  -7.331  -7.331
  295    HB   VAL  35           HB       VAL  35 -19.552  -9.106  -9.106
  296   1HG1  VAL  35          HG11      VAL  35 -19.764  -8.953  -8.953
  297   2HG1  VAL  35          HG13      VAL  35 -20.590 -10.139 -10.139
  298   3HG1  VAL  35          HG12      VAL  35 -20.985  -8.428  -8.428
  299   1HG2  VAL  35          HG22      VAL  35 -17.426  -9.812  -9.812
  300   2HG2  VAL  35          HG21      VAL  35 -17.426 -10.159 -10.159
  301   3HG2  VAL  35          HG23      VAL  35 -18.532 -11.018 -11.018
  302    H    ALA  36           HN       ALA  36 -18.046  -5.056  -5.056
  303    HA   ALA  36           HA       ALA  36 -20.859  -4.452  -4.452
  304   1HB   ALA  36           HB1      ALA  36 -19.207  -4.762  -4.762
  305   2HB   ALA  36           HB3      ALA  36 -18.516  -3.226  -3.226
  306   3HB   ALA  36           HB2      ALA  36 -20.203  -3.308  -3.308
  307    H    LEU  37           HN       LEU  37 -17.689  -2.823  -2.823
  308    HA   LEU  37           HA       LEU  37 -18.906  -1.152  -1.152
  309   1HB   LEU  37           HB2      LEU  37 -19.125  -0.053  -0.053
  310   2HB   LEU  37           HB1      LEU  37 -17.411   0.284   0.284
  311    HG   LEU  37           HG       LEU  37 -19.197   0.968   0.968
  312   1HD1  LEU  37          HD11      LEU  37 -19.066   2.607   2.607
  313   2HD1  LEU  37          HD13      LEU  37 -19.801   3.131   3.131
  314   3HD1  LEU  37          HD12      LEU  37 -20.496   1.780   1.780
  315   1HD2  LEU  37          HD21      LEU  37 -16.824   2.280   2.280
  316   2HD2  LEU  37          HD23      LEU  37 -16.798   1.386   1.386
  317   3HD2  LEU  37          HD22      LEU  37 -17.636   2.933   2.933
  318    H    GLY  38           HN       GLY  38 -15.904  -1.227  -1.227
  319   1HA   GLY  38           HA2      GLY  38 -13.755  -1.991  -1.991
  320   2HA   GLY  38           HA1      GLY  38 -14.316  -1.838  -1.838
  321    H    ALA  39           HN       ALA  39 -13.232  -0.009  -0.009
  322    HA   ALA  39           HA       ALA  39 -11.770   1.906   1.906
  323   1HB   ALA  39           HB2      ALA  39 -14.397   2.574   2.574
  324   2HB   ALA  39           HB1      ALA  39 -13.921   3.378   3.378
  325   3HB   ALA  39           HB3      ALA  39 -13.106   3.774   3.774