*HEADER    TRANSLATION                             09-DEC-02   1ND9              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL SUBDOMAIN OF                     
*TITLE    2 TRANSLATION INITIATION FACTOR IF2                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSLATION INITIATION FACTOR IF-2;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: K12;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    IF2, TRANSLATION, INITIATION FACTOR                                   
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    B.S.LAURSEN, K.K.MORTENSEN, H.U.SPERLING-PETERSEN,                    
*AUTHOR   2 D.W.HOFFMAN                                                          
*REVDAT   1   04-MAR-03 1ND9    0                                                


{ File name = if2domi_noe.tbl }

{ Distances were derived from NOE cross peaks as follows:

  Whenever possible, NOE cross peak intensities are estimated
  using NOE spectra collected with 60 msec mixing time.

  From homonuclear 60 msec mixing time spectra:

  strong peak  :  d < 3.2 ? {1}
  medium peak  :  d < 3.6 ? {2}
  weak peak    :  d < 4.2 ? {3}
  v. weak peak :  d < 4.6 ? {4}


  From 3-D C13 NOE spectrum and 3-D N15 NOE 60 msec mixing time spectra:

  strong peak  :  d < 5.0 ? {5}
  medium peak  :  d < 5.5 ? {6}
  weak peak    :  d < 6.3 ? {7}
  v. weak peak :  d < 7.0 ? {8}


  For peaks observed in the homonuclear and heteronuclear NOE spectra collected
  with longer mixing time, but not observed in the short mixing
  time NOE spectra:

  any peak     :  d < 7.9 ? {9}

 *********************** Begin NOE list here **************************  }

{*** D3 ***}
{ HN=, HA=4.81, N=, CA=54.7, CB=41.5 }

assign (resid   3 and name ha  ) (resid   3 and name hb1 )   5.5 5.5 0.0 {6}
assign (resid   3 and name ha  ) (resid   3 and name hb2 )   5.5 5.5 0.0 {6}
assign (resid   3 and name ha  ) (resid   4 and name hn  )   3.6 3.6 0.0 {2}
assign (resid   3 and name ha  ) (resid  38 and name ha  )   3.6 3.6 0.0 {2}
assign (resid   3 and name ha  ) (resid  39 and name hn  )   7.9 7.9 0.0 {6}

assign (resid   3 and name hb* ) (resid   4 and name hn  )   7.0 7.0 0.0 {8}
assign (resid   3 and name hb* ) (resid  37 and name hn  )   7.9 7.9 0.7 {9}
assign (resid   3 and name hb* ) (resid  36 and name hb* )   7.9 7.9 0.7 {9}


{*** V4 ***}
{ HN=8.31, HA=4.36, N=121.0, CA=61.0, CB=33.7 }

assign (resid   4 and name hn  ) (resid   6 and name hn  )   5.5 5.5 0.0 {6}
assign (resid   4 and name hn  ) (resid   4 and name ha  )   5.5 5.5 0.0 {6}
assign (resid   4 and name hn  ) (resid   4 and name hb  )   3.2 3.2 0.0 {1}
assign (resid   4 and name hn  ) (resid   4 and name hg**)   5.5 5.5 1.0 {6}
assign (resid   4 and name hn  ) (resid   3 and name hb* )   5.5 5.5 0.7 {6}
assign (resid   4 and name hn  ) (resid  38 and name ha  )   6.3 6.3 0.0 {7}
assign (resid   4 and name hn  ) (resid  37 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   4 and name hn  ) (resid  37 and name hb  )   7.9 7.9 0.0 {9}
assign (resid   4 and name hn  ) (resid  36 and name hb* )   7.9 7.9 0.7 {9}
assign (resid   4 and name hn  ) (resid   5 and name hg2*)   7.9 7.9 1.0 {9}
assign (resid   4 and name hn  ) (resid  37 and name hg**)   7.9 7.9 1.0 {9}
assign (resid   4 and name hn  ) (resid  39 and name ha  )   6.3 6.3 0.0 {7}

assign (resid   4 and name ha  ) (resid   4 and name hb  )   5.5 5.5 0.0 {6}
assign (resid   4 and name ha  ) (resid   4 and name hg**)   4.2 4.2 1.0 {3}
assign (resid   4 and name ha  ) (resid   5 and name hn  )   3.6 3.6 0.0 {2}
assign (resid   4 and name ha  ) (resid   5 and name hg2*)   7.9 7.9 1.0 {9}

assign (resid   4 and name hb  ) (resid   4 and name hg**)   3.6 3.6 1.0 {2}
assign (resid   4 and name hb  ) (resid  37 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   4 and name hb  ) (resid  37 and name hg**)   7.9 7.9 2.5 {9}
assign (resid   4 and name hb  ) (resid   5 and name hg2*)   6.3 6.3 1.0 {7}
assign (resid   4 and name hb  ) (resid  17 and name hg**)   7.9 7.9 2.5 {9}

assign (resid   4 and name hg**) (resid  37 and name hb  )   7.9 7.9 2.5 {9}
assign (resid   4 and name hg**) (resid  37 and name ha  )   7.9 7.9 2.5 {9}
assign (resid   4 and name hg**) (resid  37 and name hn  )   7.9 7.9 2.5 {9}
assign (resid   4 and name hg**) (resid   9 and name hn  )   7.9 7.9 2.5 {9}
assign (resid   4 and name hg**) (resid   9 and name hg  )   7.9 7.9 2.5 {9}


{*** T5 ***}
{ HN=8.22, HA=4.82, N=115.0, CA=60.4, CB=71.4 }

assign (resid   5 and name hn  ) (resid   5 and name ha  )   5.5 5.5 0.0 {6}
assign (resid   5 and name hn  ) (resid   5 and name hb  )   5.5 5.5 0.0 {6}
assign (resid   5 and name hn  ) (resid   5 and name hg2*)   4.2 4.2 1.0 {3}
assign (resid   5 and name hn  ) (resid   7 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   5 and name hn  ) (resid   4 and name hg1*)   4.2 4.2 1.0 {3}
assign (resid   5 and name hn  ) (resid   4 and name hg2*)   4.2 4.2 1.0 {3}

assign (resid   5 and name ha  ) (resid   5 and name hb  )   3.6 3.6 0.0 {2}
assign (resid   5 and name ha  ) (resid   5 and name hg2*)   3.2 3.2 1.0 {1}
assign (resid   5 and name ha  ) (resid  36 and name ha  )   3.2 3.2 0.0 {1}
assign (resid   5 and name ha  ) (resid  36 and name hb* )   4.2 4.2 0.7 {3}
assign (resid   5 and name ha  ) (resid  37 and name hn  )   4.6 4.6 0.0 {4}
assign (resid   5 and name ha  ) (resid  37 and name hg**)   4.6 4.6 3.5 {4}

assign (resid   5 and name hb  ) (resid   5 and name hg2*)   3.2 3.2 1.0 {1}
assign (resid   5 and name hb  ) (resid  36 and name ha  )   3.6 3.6 0.0 {2}
assign (resid   5 and name hb  ) (resid  21 and name hg**)   7.9 7.9 2.5 {9}

assign (resid   5 and name hg2*) (resid   6 and name hb  )   7.9 7.9 1.0 {9}
assign (resid   5 and name hg2*) (resid   6 and name hn  )   7.9 7.9 1.0 {9}
assign (resid   5 and name hg2*) (resid   4 and name hg**)   7.9 7.9 3.5 {9}


{*** I6 ***}
{ HN=8.42, HA=3.67, N=122.4, CA=62.7, CB=35.5 }

assign (resid   6 and name hn  ) (resid   6 and name ha  )   4.2 4.2 0.0 {3}
assign (resid   6 and name hn  ) (resid   6 and name hb  )   4.2 4.2 0.0 {3}
assign (resid   6 and name hn  ) (resid   6 and name hg1*)   6.3 6.3 0.0 {7}
assign (resid   6 and name hn  ) (resid   6 and name hg2*)   6.3 6.3 1.0 {7}
assign (resid   6 and name hn  ) (resid   6 and name hd* )   6.3 6.3 1.0 {7}
assign (resid   6 and name hn  ) (resid   5 and name ha  )   3.6 3.6 0.0 {2}
assign (resid   6 and name hn  ) (resid   5 and name hb  )   5.0 5.0 0.0 {5}
assign (resid   6 and name hn  ) (resid   7 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   6 and name hn  ) (resid   9 and name hn  )   7.0 7.0 0.0 {8}
assign (resid   6 and name hn  ) (resid  35 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   6 and name hn  ) (resid  35 and name hb* )   7.9 7.9 0.7 {9}
assign (resid   6 and name hn  ) (resid  36 and name ha  )   3.6 3.6 0.0 {2}
assign (resid   6 and name hn  ) (resid  37 and name hb  )   7.9 7.9 0.0 {9}
assign (resid   6 and name hn  ) (resid  37 and name hg**)   7.9 7.9 2.5 {9}

assign (resid   6 and name ha  ) (resid   6 and name hb  )   4.2 4.2 0.0 {3}
assign (resid   6 and name ha  ) (resid   6 and name hg1*)   7.9 7.9 0.0 {9}
assign (resid   6 and name ha  ) (resid   6 and name hg2*)   6.3 6.3 0.0 {7}
assign (resid   6 and name ha  ) (resid   6 and name hd* )   5.5 5.5 0.0 {6}
assign (resid   6 and name ha  ) (resid   7 and name hn  )   7.0 7.0 0.0 {8}
assign (resid   6 and name ha  ) (resid   9 and name hn  )   7.0 7.0 0.0 {8}
assign (resid   6 and name ha  ) (resid  37 and name hg**)   6.3 6.3 2.5 {7}

assign (resid   6 and name hb  ) (resid   6 and name hg11)   6.3 6.3 0.0 {7}
assign (resid   6 and name hb  ) (resid   6 and name hg12)   6.3 6.3 0.0 {7}
assign (resid   6 and name hb  ) (resid   6 and name hg2*)   5.5 5.5 1.0 {6}
assign (resid   6 and name hb  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}
assign (resid   6 and name hb  ) (resid   7 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   6 and name hb  ) (resid  37 and name hg**)   7.9 7.9 2.5 {9}

assign (resid   6 and name hg1*) (resid   6 and name hg2*)   7.9 7.9 1.7 {9}

assign (resid   6 and name hg2*) (resid   9 and name hd**)   7.9 7.9 3.5 {9}

assign (resid   6 and name hd* ) (resid   6 and name hg1*)   7.9 7.9 1.0 {9}
assign (resid   6 and name hd* ) (resid   6 and name hg2*)   7.9 7.9 2.0 {9}
assign (resid   6 and name hd* ) (resid  24 and name hd* )   7.9 7.9 3.4 {9}
assign (resid   6 and name hd* ) (resid  20 and name hg  )   7.9 7.9 1.0 {9}
assign (resid   6 and name hd* ) (resid   9 and name hd**)   6.3 6.3 3.5 {7}
assign (resid   6 and name hd* ) (resid  37 and name hg**)   7.9 7.9 3.5 {9}


{*** K7 ***}
{ HN=8.07, HA=3.86, N=117.9, CA=60.6, CB=32.8 }

assign (resid   7 and name hn  ) (resid   7 and name ha  )   4.2 4.2 0.0 {3}
assign (resid   7 and name hn  ) (resid   7 and name hb* )   4.2 4.2 0.7 {3}
assign (resid   7 and name hn  ) (resid   7 and name hg* )   6.3 6.3 0.7 {7}
assign (resid   7 and name hn  ) (resid   7 and name hd* )   5.5 5.5 0.7 {6}
assign (resid   7 and name hn  ) (resid   9 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   7 and name hn  ) (resid  36 and name ha  )   7.0 7.0 0.0 {8}
assign (resid   7 and name hn  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}
assign (resid   7 and name hn  ) (resid  17 and name hg**)   7.9 7.9 2.5 {9}
assign (resid   7 and name hn  ) (resid  37 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   7 and name hn  ) (resid  37 and name hg**)   7.9 7.9 2.5 {9}
assign (resid   7 and name hn  ) (resid  20 and name hn  )   7.9 7.9 0.0 {9}

assign (resid   7 and name ha  ) (resid   7 and name hb* )   4.2 4.2 0.7 {3}
assign (resid   7 and name ha  ) (resid   7 and name hg* )   4.2 4.2 0.7 {3}
assign (resid   7 and name ha  ) (resid  18 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   7 and name ha  ) (resid  17 and name hg**)   6.3 6.3 2.5 {7} 

assign (resid   7 and name hb* ) (resid   7 and name hg* )   7.9 7.9 1.4 {9}
assign (resid   7 and name hb* ) (resid   7 and name hd* )   5.0 5.0 1.4 {5}



{*** T8 ***}
{ HN=8.05, HA=4.00, N=117.1, CA=66.1, CB=68.1 }

assign (resid   8 and name hn  ) (resid   8 and name ha  )   5.5 5.5 0.0 {6}
assign (resid   8 and name hn  ) (resid   8 and name hb  )   5.0 5.0 0.0 {5}
assign (resid   8 and name hn  ) (resid   8 and name hg2*)   4.2 4.2 1.0 {3}
assign (resid   8 and name hn  ) (resid   9 and name hn  )   5.0 5.0 0.0 {5}
assign (resid   8 and name hn  ) (resid   7 and name ha  )   4.2 4.2 0.0 {3}
assign (resid   8 and name hn  ) (resid   7 and name hb* )   4.2 4.2 0.7 {4}
assign (resid   8 and name hn  ) (resid   7 and name hg* )   7.9 7.9 0.7 {9}
assign (resid   8 and name hn  ) (resid   7 and name hd* )   7.9 7.9 0.7 {9}
assign (resid   8 and name hn  ) (resid  34 and name hb* )   7.9 7.9 0.7 {9}
assign (resid   8 and name hn  ) (resid   6 and name hn  )   7.9 7.9 0.0 {9}
assign (resid   8 and name hn  ) (resid   9 and name hd**)   7.9 7.9 2.5 {9}
assign (resid   8 and name hn  ) (resid   5 and name ha  )   7.9 7.9 0.0 {9}
assign (resid   8 and name hn  ) (resid   5 and name hb  )   6.3 6.3 0.0 {7}

assign (resid   8 and name ha  ) (resid   8 and name hb  )   6.3 6.3 0.0 {7}
assign (resid   8 and name ha  ) (resid   8 and name hg2*)   5.5 5.5 1.0 {6}
assign (resid   8 and name ha  ) (resid   9 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   8 and name ha  ) (resid  11 and name hn  )   4.6 4.6 0.0 {4}

assign (resid   8 and name hb  ) (resid   8 and name hg2*)   5.5 5.5 1.0 {6}
assign (resid   8 and name hb  ) (resid   9 and name hn  )   4.2 4.2 0.0 {3}
assign (resid   8 and name hb  ) (resid  12 and name hn  )   6.3 6.3 0.0 {7}

assign (resid   8 and name hg2*) (resid   9 and name hn  )   6.3 6.3 1.0 {7}


{*** L9 ***}
{ HN=8,67 HA=4.13, N=125.3, CA=57.3, CB=41.5 }

assign (resid   9 and name hn  ) (resid   9 and name ha  )   4.2 4.2 0.0 {3}
assign (resid   9 and name hn  ) (resid   9 and name hb* )   5.0 5.0 0.0 {5}
assign (resid   9 and name hn  ) (resid   9 and name hd**)   5.5 5.5 2.5 {6}
assign (resid   9 and name hn  ) (resid  10 and name hn  )   5.5 5.5 0.0 {6}
assign (resid   9 and name hn  ) (resid  12 and name hn  )   4.6 4.6 0.0 {4}
assign (resid   9 and name hn  ) (resid   6 and name hb  )   7.9 7.9 0.0 {9}
assign (resid   9 and name hn  ) (resid   6 and name ha  )   4.6 4.6 0.0 {4}

assign (resid   9 and name ha  ) (resid   9 and name hd**)   3.2 3.2 2.5 {1}
assign (resid   9 and name ha  ) (resid  12 and name hn  )   6.3 6.3 0.0 {7}
assign (resid   9 and name ha  ) (resid   6 and name hn  )   7.9 7.9 0.0 {9}

assign (resid   9 and name hb* ) (resid   9 and name hd**)   3.2 3.2 3.2 {1}
assign (resid   9 and name hb* ) (resid   9 and name ha  )   6.3 6.3 0.7 {7}
assign (resid   9 and name hb* ) (resid   6 and name ha  )   7.9 7.9 0.7 {9}

assign (resid   9 and name hd**) (resid   6 and name ha  )   7.0 7.0 2.5 {8}


{*** A10 ***}
{ HN=8.59 HA=3.70, N=121.6, CA=55.9, CB=17.6 }

assign (resid  10 and name hn  ) (resid  10 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  10 and name hn  ) (resid  10 and name hb* )   3.6 3.6 1.0 {2}
assign (resid  10 and name hn  ) (resid  11 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  10 and name hn  ) (resid   7 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  10 and name hn  ) (resid   9 and name hb2 )   3.6 3.6 0.0 {2}
assign (resid  10 and name hn  ) (resid   6 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  10 and name hn  ) (resid  17 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  10 and name hn  ) (resid   9 and name ha  )   7.0 7.0 0.0 {8}
assign (resid  10 and name hn  ) (resid  20 and name hd**)   7.9 7.9 2.5 {9}

assign (resid  10 and name ha  ) (resid  10 and name hb* )   3.2 3.2 1.0 {1}
assign (resid  10 and name ha  ) (resid  34 and name hn  )   7.0 7.0 0.0 {8}
assign (resid  10 and name ha  ) (resid   6 and name hb  )   7.9 7.9 0.0 {9}
assign (resid  10 and name ha  ) (resid   6 and name hg2*)   7.9 7.9 1.0 {9}
assign (resid  10 and name ha  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}

assign (resid  10 and name hb* ) (resid  11 and name hn  )   3.6 3.6 1.0 {2}
assign (resid  10 and name hb* ) (resid   7 and name ha  )   5.0 5.0 1.0 {5}
assign (resid  10 and name hb* ) (resid  17 and name ha  )   6.3 6.3 1.0 {7}


{*** A11 ***}
{ HN=7.16 HA=4.18, N=118.8, CA=55.0, CB=17.7 }

assign (resid  11 and name hn  ) (resid 11 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  11 and name hn  ) (resid 11 and name hb* )    3.6 3.6 1.0 {2}
assign (resid  11 and name hn  ) (resid 12 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  11 and name hn  ) (resid 10 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  11 and name hn  ) (resid  9 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  11 and name hn  ) (resid 12 and name hg* )    7.9 7.9 0.7 {9}
assign (resid  11 and name hn  ) (resid  7 and name ha  )    7.0 7.0 0.0 {8}
assign (resid  11 and name hn  ) (resid 12 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  11 and name hn  ) (resid 13 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  11 and name hn  ) (resid 14 and name hn  )    7.9 7.9 0.0 {9}

assign (resid  11 and name ha  ) (resid 11 and name hb* )    5.0 5.0 1.0 {5}
assign (resid  11 and name ha  ) (resid 12 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  11 and name ha  ) (resid 13 and name hn  )    5.0 5.0 0.0 {5}
assign (resid  11 and name ha  ) (resid 15 and name hn  )    6.3 6.3 0.0 {7}

assign (resid  11 and name hb* ) (resid 12 and name hn  )    5.0 5.0 0.7 {5}
assign (resid  11 and name hb* ) (resid 13 and name hn  )    5.0 5.0 0.7 {5}



{*** E12 ***}
{ HN=8.24 HA=3.98, N=120.6, CA=59.4, CB=30.2 }

assign (resid  12 and name hn  ) (resid  12 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  12 and name hn  ) (resid  12 and name hb* )   6.3 6.3 0.7 {7}
assign (resid  12 and name hn  ) (resid  13 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  12 and name hn  ) (resid  10 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  12 and name hn  ) (resid   9 and name hd**)   6.3 6.3 2.5 {7}

assign (resid  12 and name ha  ) (resid  12 and name hb* )   3.6 3.6 0.7 {2}
assign (resid  12 and name ha  ) (resid  12 and name hg* )   5.5 5.5 0.7 {6}
assign (resid  12 and name ha  ) (resid  13 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  12 and name ha  ) (resid   9 and name hg  )   7.9 7.9 0.0 {9}

assign (resid  12 and name hb* ) (resid  12 and name hg* )   3.2 3.2 1.4 {1}
assign (resid  12 and name hb* ) (resid   9 and name ha  )   7.0 7.0 0.7 {8}
assign (resid  12 and name hb* ) (resid  13 and name hn  )   6.3 6.3 0.7 {7}
assign (resid  12 and name hb* ) (resid   9 and name hd**)   7.0 7.0 3.2 {8}


{*** R13 ***}
{ HN=7.99, HA=4.17, N=115.5, CA=56.3, CB=29.7 }

assign (resid  13 and name hn  ) (resid  13 and name ha  )   3.2 3.2 0.0 {1}
assign (resid  13 and name hn  ) (resid  13 and name hb* )   5.0 5.0 0.7 {5}
assign (resid  13 and name hn  ) (resid  13 and name hg* )   5.5 5.5 0.7 {6}
assign (resid  13 and name hn  ) (resid  13 and name hd* )   7.9 7.9 0.7 {9}
assign (resid  13 and name hn  ) (resid  14 and name hn  )   5.5 5.5 0.0 {6}
assign (resid  13 and name hn  ) (resid  10 and name ha  )   6.3 6.3 0.0 {7}
assign (resid  13 and name hn  ) (resid  12 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  13 and name hn  ) (resid  16 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  13 and name hn  ) (resid  14 and name hn  )   5.5 5.5 0.0 {6}
assign (resid  13 and name hn  ) (resid  20 and name hd**)   7.9 7.9 2.5 {9}
assign (resid  13 and name hn  ) (resid  20 and name hg  )   7.0 7.0 0.0 {8}

assign (resid  13 and name hb* ) (resid  13 and name hg* )   7.9 7.9 1.4 {9}
assign (resid  13 and name hb* ) (resid  13 and name hd* )   7.9 7.9 1.4 {9}
assign (resid  13 and name hb* ) (resid  10 and name ha  )   7.9 7.9 0.7 {9}


{*** Q14 ***}
{ HN=7.91, HA=3.89, N=117.7, CA=56.6, CB=26.4 }

assign (resid  14 and name hn  ) (resid  14 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  14 and name hn  ) (resid  14 and name hb* )   5.5 5.5 0.7 {6}
assign (resid  14 and name hn  ) (resid  14 and name hg* )   4.2 4.2 0.7 {3}
assign (resid  14 and name hn  ) (resid  15 and name hn  )   5.5 5.5 0.0 {6}
assign (resid  14 and name hn  ) (resid  13 and name ha  )   3.2 3.2 0.0 {1}
assign (resid  14 and name hn  ) (resid  12 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  14 and name hn  ) (resid  19 and name hn  )   5.5 5.5 0.0 {6}

assign (resid  14 and name ha  ) (resid  14 and name hb* )   4.2 4.2 0.7 {3}
assign (resid  14 and name ha  ) (resid  14 and name hg* )   6.3 6.3 0.7 {7}
assign (resid  14 and name ha  ) (resid  15 and name hn  )   4.2 4.2 0.0 {3}

assign (resid  14 and name hb* ) (resid  14 and name hg* )   5.0 5.0 1.4 {5}
assign (resid  14 and name hb* ) (resid  15 and name hn  )   7.0 7.0 0.7 {8}


{*** T15 ***}
{ HN=8.30, HA=4.74, N=113.6, CA=59.6, CB=71.7 }

assign (resid  15 and name hn  ) (resid  15 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  15 and name hn  ) (resid  15 and name hb  )   4.6 4.6 0.0 {4}
assign (resid  15 and name hn  ) (resid  15 and name hg2*)   4.2 4.2 1.0 {3}
assign (resid  15 and name hn  ) (resid  14 and name hg* )   4.2 4.2 0.7 {3}
assign (resid  15 and name hn  ) (resid  10 and name hb* )   7.0 7.0 1.0 {8}
assign (resid  15 and name hn  ) (resid  11 and name hb* )   7.9 7.9 1.0 {9}
assign (resid  15 and name hn  ) (resid  16 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  15 and name hn  ) (resid  13 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  15 and name hn  ) (resid  11 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  15 and name hn  ) (resid  20 and name hd**)   7.9 7.9 2.5 {9}

assign (resid  15 and name ha  ) (resid  15 and name hb  )   4.2 4.2 0.0 {4}
assign (resid  15 and name ha  ) (resid  15 and name hg2*)   6.3 6.3 1.0 {7}

assign (resid  15 and name hb  ) (resid  15 and name hg2*)   5.5 5.5 1.0 {6}

assign (resid  15 and name hg2*) (resid  14 and name hb* )   7.9 7.9 1.7 {9}


{*** S16 ***}
{ HN=8.38, HA=4.58, N=118.1, CA=56.2, CB=65.0 }

assign (resid  16 and name hn  ) (resid  16 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  16 and name hn  ) (resid  16 and name hb* )   7.0 7.0 0.0 {8}
assign (resid  16 and name hn  ) (resid  17 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  16 and name hn  ) (resid  19 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  16 and name hn  ) (resid  15 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  16 and name hn  ) (resid  15 and name hb  )   7.0 7.0 0.0 {8}
assign (resid  16 and name hn  ) (resid  13 and name hd* )   7.9 7.9 0.7 {9}
assign (resid  16 and name hn  ) (resid  10 and name hb* )   7.9 7.9 1.0 {9}


assign (resid  16 and name ha  ) (resid  17 and name hn  )   5.5 5.5 0.0 {6}
assign (resid  16 and name ha  ) (resid  16 and name hb* )   5.5 5.5 0.7 {6}

assign (resid  16 and name hb* ) (resid  17 and name hn  )   7.0 7.0 0.7 {8}



{*** V17 ***}
{ HN=8.87, HA=3.37, N=122.7, CA=67.3, CB=31.9 }

assign (resid  17 and name hn  ) (resid  17 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  17 and name hn  ) (resid  17 and name hb  )   4.2 4.2 0.0 {3}
assign (resid  17 and name hn  ) (resid  17 and name hg1*)   3.6 3.6 1.0 {2}
assign (resid  17 and name hn  ) (resid  17 and name hg2*)   3.6 3.6 1.0 {2}
assign (resid  17 and name hn  ) (resid  18 and name hn  )   5.0 5.0 0.0 {5}
assign (resid  17 and name hn  ) (resid  19 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  17 and name hn  ) (resid  16 and name ha  )   4.6 4.6 0.0 {4}
assign (resid  17 and name hn  ) (resid  16 and name hb* )   5.0 5.0 0.7 {4}
assign (resid  17 and name hn  ) (resid  14 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  17 and name hn  ) (resid  39 and name hn  )   7.9 7.9 0.0 {9}

assign (resid  17 and name ha  ) (resid  17 and name hb  )   6.3 6.3 0.0 {7}
assign (resid  17 and name ha  ) (resid  17 and name hg1*)   5.5 5.5 1.0 {6}
assign (resid  17 and name ha  ) (resid  17 and name hg2*)   5.5 5.5 1.0 {6}
assign (resid  17 and name ha  ) (resid  18 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  17 and name ha  ) (resid  20 and name hn  )   4.6 4.6 0.0 {4}
assign (resid  17 and name ha  ) (resid  19 and name hn  )   7.9 7.9 0.0 {9}

assign (resid  17 and name hb  ) (resid  17 and name hg1*)   6.3 6.3 1.0 {7}
assign (resid  17 and name hb  ) (resid  17 and name hg2*)   6.3 6.3 1.0 {7}
assign (resid  17 and name hb  ) (resid  16 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  17 and name hb  ) (resid  18 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  17 and name hb  ) (resid  42 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  17 and name hb  ) (resid  41 and name hn  )   4.2 4.2 0.0 {3}

assign (resid  17 and name hg**) (resid  37 and name hb  )   7.9 7.9 2.5 {9} 
assign (resid  17 and name hg**) (resid  10 and name ha  )   5.5 5.5 2.5 {6}

{*** E18 ***}
{ HN=8.80, HA=3.87, N=117.0, CA=60.5, CB=29.0 }

assign (resid  18 and name hn  ) (resid  18 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  18 and name hn  ) (resid  18 and name hb* )   4.6 4.6 0.0 {4}
assign (resid  18 and name hn  ) (resid  18 and name hg* )   7.9 7.9 0.0 {9}
assign (resid  18 and name hn  ) (resid  19 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  18 and name hn  ) (resid  20 and name hn  )   4.2 4.2 0.0 {2}
assign (resid  18 and name hn  ) (resid  16 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  18 and name hn  ) (resid  17 and name hg1*)   6.3 6.3 1.0 {7}
assign (resid  18 and name hn  ) (resid  17 and name hg2*)   6.3 6.3 1.0 {7}

assign (resid  18 and name ha  ) (resid  18 and name hb1 )   6.3 6.3 0.0 {7}
assign (resid  18 and name ha  ) (resid  18 and name hb2 )   3.6 3.6 0.0 {2}
assign (resid  18 and name ha  ) (resid  18 and name hg1 )   3.2 3.2 0.0 {1}
assign (resid  18 and name ha  ) (resid  18 and name hg2 )   7.9 7.9 0.0 {9}
assign (resid  18 and name ha  ) (resid  17 and name hg1*)   5.5 5.5 1.0 {6}
assign (resid  18 and name ha  ) (resid  17 and name hg2*)   5.5 5.5 1.0 {6}
assign (resid  18 and name ha  ) (resid  21 and name hn  )   3.6 3.6 0.0 {2}

assign (resid  18 and name hb1 ) (resid  19 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  18 and name hb1 ) (resid  17 and name hg1*)   7.9 7.9 1.0 {9}
assign (resid  18 and name hb2 ) (resid  17 and name hg1*)   7.9 7.9 1.0 {9}


{*** R19 ***}
{ HN=7.77, HA=4.06, N=120.0, CA=58.3, CB=29.5 }

assign (resid  19 and name hn  ) (resid  19 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  19 and name hn  ) (resid  19 and name hb* )   5.0 5.0 0.7 {5}
assign (resid  19 and name hn  ) (resid  19 and name hg* )   6.3 6.3 0.7 {7}
assign (resid  19 and name hn  ) (resid  19 and name hd1 )   7.9 7.9 0.0 {9}
assign (resid  19 and name hn  ) (resid  19 and name hd2 )   7.9 7.9 0.0 {9}
assign (resid  19 and name hn  ) (resid  20 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  19 and name hn  ) (resid  18 and name ha  )   6.3 6.3 0.0 {7}
assign (resid  19 and name hn  ) (resid  18 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  19 and name hn  ) (resid  18 and name hb1 )   6.3 6.3 0.0 {7}
assign (resid  19 and name hn  ) (resid  18 and name hb2 )   6.3 6.3 0.0 {7}
assign (resid  19 and name hn  ) (resid  16 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  19 and name hn  ) (resid  17 and name hg1*)   7.9 7.9 1.0 {9}
assign (resid  19 and name hn  ) (resid  17 and name hg2*)   7.9 7.9 1.0 {9}

assign (resid  19 and name ha  ) (resid  19 and name hd* )   6.3 6.3 0.7 {7}
assign (resid  19 and name ha  ) (resid  19 and name hb* )   5.5 5.5 0.7 {6}
assign (resid  19 and name ha  ) (resid  22 and name hn  )   7.9 7.9 0.0 {9}

assign (resid  19 and name hb* ) (resid  19 and name hg* )   7.9 7.9 1.4 {9}
assign (resid  19 and name hb* ) (resid  19 and name hd1 )   6.3 6.3 0.7 {7}
assign (resid  19 and name hb* ) (resid  19 and name hd2 )   6.3 6.3 0.7 {7}
assign (resid  19 and name hb* ) (resid  20 and name hn  )   4.2 4.2 0.0 {3}



{*** L20 ***}
{ HN=8.19, HA=4.33, N=122.0, CA=57.7, CB=42.4 }

assign (resid  20 and name hn  ) (resid  20 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  20 and name hn  ) (resid  20 and name hb* )   5.0 5.0 0.0 {5}
assign (resid  20 and name hn  ) (resid  20 and name hd* )   7.0 7.0 0.0 {8}
assign (resid  20 and name hn  ) (resid  21 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  20 and name hn  ) (resid  22 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  20 and name hn  ) (resid  19 and name ha  )   3.2 3.2 0.0 {1}
assign (resid  20 and name hn  ) (resid  24 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  20 and name hn  ) (resid  21 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  20 and name hn  ) (resid  19 and name hd1 )   7.9 7.9 0.7 {9}
assign (resid  20 and name hn  ) (resid  19 and name hd2 )   7.9 7.9 0.7 {9}
assign (resid  20 and name hn  ) (resid  42 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  20 and name hn  ) (resid  42 and name hn  )   7.0 7.0 0.0 {8}
assign (resid  20 and name hn  ) (resid  41 and name ha  )   7.9 7.9 0.0 {9}

assign (resid  20 and name ha  ) (resid  20 and name hb1 )   4.2 4.2 0.0 {3}
assign (resid  20 and name ha  ) (resid  20 and name hb2 )   4.2 4.2 0.0 {3}
assign (resid  20 and name ha  ) (resid  20 and name hg  )   4.2 4.2 0.0 {3}
assign (resid  20 and name ha  ) (resid  20 and name hd**)   7.9 7.9 1.0 {9}
assign (resid  20 and name ha  ) (resid  42 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  20 and name ha  ) (resid  23 and name hb* )   6.3 6.3 0.7 {7}
assign (resid  20 and name ha  ) (resid  21 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  20 and name ha  ) (resid  45 and name hd**)   7.9 7.9 2.5 {9}

assign (resid  20 and name hb* ) (resid  20 and name hg  )   5.0 5.0 0.7 {5}
assign (resid  20 and name hb* ) (resid  20 and name hd**)   6.3 6.3 1.0 {7}
assign (resid  20 and name hb* ) (resid  21 and name hn  )   7.0 7.0 0.7 {8}
assign (resid  20 and name hb* ) (resid  17 and name ha  )   5.5 5.5 0.7 {6}

assign (resid  20 and name hg  ) (resid  20 and name hd1*)   6.3 6.3 1.0 {7}
assign (resid  20 and name hg  ) (resid  20 and name hd2*)   6.3 6.3 1.0 {7}
assign (resid  20 and name hg  ) (resid  24 and name hd* )   7.0 7.0 2.4 {8}
assign (resid  20 and name hg  ) (resid  24 and name he* )   7.0 7.0 2.4 {8}

assign (resid  20 and name hd**) (resid  45 and name hd**)   7.9 7.9 5.0 {9}
assign (resid  20 and name hd**) (resid  24 and name hd* )   6.3 6.3 4.9 {7}
assign (resid  20 and name hd**) (resid  24 and name he* )   6.3 6.3 4.9 {7}
assign (resid  20 and name hd**) (resid  43 and name hg* )   7.9 7.9 3.2 {9}
assign (resid  20 and name hd**) (resid  43 and name hb* )   7.9 7.9 3.2 {9}



{*** V21 ***}
{ HN=8.80, HA=3.58, N=118.4, CA=68.2, CB=32.0 }
assign (resid  21 and name hn  ) (resid  21 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  21 and name hn  ) (resid  21 and name hb  )   3.6 3.6 0.0 {2}
assign (resid  21 and name hn  ) (resid  21 and name hg**)   4.6 4.6 1.0 {4}
assign (resid  21 and name hn  ) (resid  24 and name hn  )   7.9 7.9 0.0 {8}
assign (resid  21 and name hn  ) (resid  23 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  21 and name hn  ) (resid  22 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  21 and name hn  ) (resid  20 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  21 and name hn  ) (resid  17 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  21 and name hn  ) (resid  17 and name hg**)   4.6 4.6 2.5 {4}
assign (resid  21 and name hn  ) (resid  20 and name hb* )   7.0 7.0 0.0 {8}
assign (resid  21 and name hn  ) (resid  20 and name hg  )   7.9 7.9 0.0 {9}
assign (resid  21 and name hn  ) (resid  20 and name hd**)   7.9 7.9 2.5 {9}
assign (resid  21 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  21 and name hn  ) (resid  10 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  21 and name hn  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}
assign (resid  21 and name hn  ) (resid  42 and name hn  )   7.9 7.9 0.0 {9}


assign (resid  21 and name ha  ) (resid  21 and name hb  )   4.6 4.6 0.0 {4}
assign (resid  21 and name ha  ) (resid  21 and name hg1*)   4.2 4.2 1.0 {3}
assign (resid  21 and name ha  ) (resid  21 and name hg2*)   4.2 4.2 1.0 {3}
assign (resid  21 and name ha  ) (resid  24 and name hn  )   4.6 4.6 0.0 {4}
assign (resid  21 and name ha  ) (resid  24 and name hb* )   7.9 7.9 0.0 {9}
assign (resid  21 and name ha  ) (resid  24 and name hd* )   4.2 4.2 2.4 {3}
assign (resid  21 and name ha  ) (resid  22 and name hn  )   4.6 4.6 0.0 {4}
assign (resid  21 and name ha  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}

assign (resid  21 and name hb  ) (resid  21 and name hg**)   4.6 4.6 1.0 {4}
assign (resid  21 and name hb  ) (resid  22 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  21 and name hb  ) (resid  18 and name ha  )   4.2 4.2 0.0 {3}

assign (resid  21 and name hg**) (resid  18 and name ha  )   7.9 7.9 2.5 {9}
assign (resid  21 and name hg**) (resid  22 and name hn  )   4.2 4.2 2.5 {3}
assign (resid  21 and name hg**) (resid  10 and name ha  )   6.3 6.3 2.5 {7}


{*** Q22 ***}
{ HN=7.54, HA=4.05, N=121.3, CA=58.7, CB=28.4 }

assign (resid  22 and name hn  ) (resid  22 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  22 and name hn  ) (resid  22 and name hb* )   3.2 3.2 0.7 {1}
assign (resid  22 and name hn  ) (resid  22 and name hg* )   6.3 6.3 0.7 {7}
assign (resid  22 and name hn  ) (resid  24 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  22 and name hn  ) (resid  23 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  22 and name hn  ) (resid  19 and name hn  )   7.0 7.0 0.0 {8}
assign (resid  22 and name hn  ) (resid  20 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  22 and name hn  ) (resid  21 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  22 and name hn  ) (resid  21 and name hg1*)   6.3 6.3 1.0 {7}
assign (resid  22 and name hn  ) (resid  21 and name hg2*)   6.3 6.3 1.0 {7}
assign (resid  22 and name hn  ) (resid  24 and name hb* )   7.9 7.9 0.7 {9}
assign (resid  22 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}

assign (resid  22 and name ha  ) (resid  22 and name hb* )   4.2 4.2 0.7 {5}
assign (resid  22 and name ha  ) (resid  22 and name hg* )   4.2 4.2 0.7 {5}

assign (resid  22 and name hb* ) (resid  22 and name hg* )   3.2 3.2 0.7 {1}
assign (resid  22 and name hb* ) (resid  21 and name hg**)   7.9 7.9 3.2 {9}
assign (resid  22 and name hb* ) (resid  23 and name hn  )   3.6 3.6 0.7 {2}

assign (resid  22 and name he* ) (resid  22 and name hg* )   7.9 7.9 1.7 {9}
assign (resid  22 and name he* ) (resid  22 and name hg* )   6.3 6.3 1.7 {7}

{ Q23 }
{ HN=8.42, HA=4.04, N=121.0, CA=59.6, CB=28.6 }

assign (resid  23 and name hn  ) (resid  23 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  23 and name hn  ) (resid  23 and name hb* )   4.2 4.2 0.7 {3}
assign (resid  23 and name hn  ) (resid  23 and name hg* )   4.2 4.2 0.7 {3}
assign (resid  23 and name hn  ) (resid  23 and name he* )   7.9 7.9 1.0 {9}
assign (resid  23 and name hn  ) (resid  24 and name hn  )   5.0 5.0 0.0 {5}
assign (resid  23 and name hn  ) (resid  24 and name hb1 )   7.9 7.9 0.0 {9}
assign (resid  23 and name hn  ) (resid  24 and name hb2 )   7.9 7.9 0.0 {9}
assign (resid  23 and name hn  ) (resid  25 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  23 and name hn  ) (resid  21 and name ha  )   7.9 7.9 0.0 {9}

assign (resid  23 and name ha  ) (resid  23 and name hb* )   6.3 6.3 0.7 {7}
assign (resid  23 and name ha  ) (resid  23 and name hg* )   5.5 5.5 0.7 {6}

assign (resid  23 and name hb* ) (resid  23 and name hg* )   5.5 5.5 1.4 {6}
assign (resid  23 and name hb* ) (resid  24 and name hn  )   6.3 6.3 0.7 {7}
assign (resid  23 and name hb* ) (resid  45 and name hd**)   5.5 5.5 3.2 {6}
assign (resid  23 and name hb* ) (resid  49 and name hd**)   7.0 7.0 3.2 {8}

assign (resid  23 and name hg* ) (resid  23 and name he* )   6.3 6.3 1.7 {7}
assign (resid  23 and name hg* ) (resid  45 and name hd**)   7.0 7.0 3.2 {8}
assign (resid  23 and name hg* ) (resid  49 and name hd**)   7.0 7.0 3.2 {8}


assign (resid  23 and name he* ) (resid  23 and name ha  )   7.9 7.9 1.0 {9}
assign (resid  23 and name he* ) (resid  49 and name hd**)   7.0 7.0 3.5 {8}
assign (resid  23 and name he* ) (resid  45 and name hd**)   7.9 7.9 3.5 {9}

{ F24 }
{ HN=8.57, HA=3.88, N=117.5, CA=64.5, CB=37.0 }

assign (resid  24 and name hn  ) (resid  24 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  24 and name hn  ) (resid  24 and name hb* )   4.2 4.2 0.0 {3}
assign (resid  24 and name hn  ) (resid  24 and name hd* )   3.6 3.6 2.4 {2}
assign (resid  24 and name hn  ) (resid  24 and name he* )   7.9 7.9 2.4 {9}
assign (resid  24 and name hn  ) (resid  25 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  24 and name hn  ) (resid  23 and name ha  )   3.6 3.5 0.0 {3}
assign (resid  24 and name hn  ) (resid  21 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  24 and name hn  ) (resid  23 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  24 and name hn  ) (resid  45 and name hd**)   7.0 7.0 2.5 {8}
assign (resid  24 and name hn  ) (resid  20 and name hg  )   6.3 6.3 0.0 {7}
assign (resid  24 and name hn  ) (resid  20 and name hd**)   7.9 7.9 2.5 {9}

assign (resid  24 and name ha  ) (resid  24 and name hb* )   4.6 4.6 0.0 {4}
assign (resid  24 and name ha  ) (resid  24 and name hd* )   3.2 3.2 2.4 {1}
assign (resid  24 and name ha  ) (resid  27 and name hn  )   3.6 3.6 0.0 {3}

assign (resid  24 and name hb* ) (resid  24 and name hd* )   3.6 3.6 3.2 {2}
assign (resid  24 and name hb* ) (resid  24 and name he* )   7.9 7.9 3.2 {9}
assign (resid  24 and name hb* ) (resid  25 and name hn  )   4.6 4.6 0.0 {4}

assign (resid  24 and name hd* ) (resid  21 and name ha  )   4.6 4.6 2.4 {4}

assign (resid  24 and name he* ) (resid  45 and name hd**)   5.5 5.5 4.9 {6}

assign (resid  24 and name hz  ) (resid  45 and name hd**)   7.0 7.0 2.5 {8}
assign (resid  24 and name hz  ) (resid  48 and name he1 )   3.6 3.6 0.0 {2}


{ A25 }
{ HN=7.96, HA=3.93, N=123.1, CA=55.5, CB=17.3 }

assign (resid  25 and name hn  ) (resid  25 and name ha  )   3.6 3.6 0.0 {2}
assign (resid  25 and name hn  ) (resid  25 and name hb* )   3.2 3.2 1.0 {1}
assign (resid  25 and name hn  ) (resid  26 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  25 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  25 and name hn  ) (resid  21 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  25 and name hn  ) (resid  27 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  25 and name hn  ) (resid  27 and name hb* )   7.9 7.9 1.0 {9}
assign (resid  25 and name hn  ) (resid  22 and name hn  )   7.9 7.9 0.0 {9}

assign (resid  25 and name ha  ) (resid  25 and name hb* )   3.6 3.6 1.0 {2}
assign (resid  25 and name ha  ) (resid  28 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  25 and name ha  ) (resid  29 and name hn  )   4.2 4.2 0.0 {3}

assign (resid  25 and name hb* ) (resid  26 and name hn  )   3.6 3.6 1.0 {2}


{ D26 }
{ HN=8.50, HA=4.24, N=122.5, CA=57.1, CB=40.5 }

assign (resid  26 and name hn  ) (resid  26 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  26 and name hn  ) (resid  26 and name hb* )   4.2 4.2 0.7 {3}
assign (resid  26 and name hn  ) (resid  28 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  26 and name hn  ) (resid  27 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  26 and name hn  ) (resid  23 and name ha  )   6.3 6.3 0.0 {7}
assign (resid  26 and name hn  ) (resid  25 and name ha  )   6.3 6.3 0.0 {7}
assign (resid  26 and name hn  ) (resid  25 and name hb* )   4.2 4.2 1.0 {3}
assign (resid  26 and name hn  ) (resid  27 and name hb* )   7.9 7.9 1.0 {9}
assign (resid  26 and name hn  ) (resid  24 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  26 and name hn  ) (resid  27 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  26 and name hn  ) (resid  22 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  26 and name hn  ) (resid  22 and name hb* )   7.9 7.9 0.7 {9}

assign (resid  26 and name ha  ) (resid  26 and name hb* )   4.6 4.6 0.0 {4}

assign (resid  26 and name hb* ) (resid  23 and name ha  )   7.9 7.9 0.7 {9}
assign (resid  26 and name hb* ) (resid  27 and name hn  )   4.6 4.6 0.7 {4}


{ A27 }
{ HN=7.07, HA=3.49, N=120.1, CA=51.5, CB=18.4 }

assign (resid  27 and name hn  ) (resid  27 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  27 and name hn  ) (resid  27 and name hb* )   3.2 3.2 1.0 {1}
assign (resid  27 and name hn  ) (resid  28 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  27 and name hn  ) (resid  29 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  27 and name hn  ) (resid  23 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  27 and name hn  ) (resid  24 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  27 and name hn  ) (resid  26 and name ha  )   4.6 4.6 0.0 {4}
assign (resid  27 and name hn  ) (resid  25 and name hb* )   7.9 7.9 1.0 {7}
assign (resid  27 and name hn  ) (resid  28 and name ha1 )   7.9 7.9 0.0 {9}
assign (resid  27 and name hn  ) (resid  28 and name ha2 )   7.9 7.9 0.0 {9}
assign (resid  27 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  27 and name hn  ) (resid  44 and name hg2*)   7.9 7.9 1.0 {9}

assign (resid  27 and name ha  ) (resid  27 and name hb* )   3.2 3.2 1.0 {1}
assign (resid  27 and name ha  ) (resid  28 and name hn  )   4.6 4.6 0.0 {4}

assign (resid  27 and name hb* ) (resid  28 and name ha* )   3.6 3.6 1.7 {2}
assign (resid  27 and name hb* ) (resid  24 and name ha  )   6.3 6.3 1.0 {7}
assign (resid  27 and name hb* ) (resid  28 and name hn  )   4.6 4.6 1.0 {4}


{ G28 }
{ HN=7.80, HA=4.13, N=106.4, CA=45.4 }

assign (resid  28 and name hn  ) (resid  28 and name ha* )   5.5 5.5 0.0 {6}
assign (resid  28 and name hn  ) (resid  29 and name hn  )   3.6 3.6 0.0 {2}
assign (resid  28 and name hn  ) (resid  26 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  28 and name hn  ) (resid  26 and name hb1 )   7.9 7.9 0.0 {9}
assign (resid  28 and name hn  ) (resid  26 and name hb2 )   7.9 7.9 0.0 {9}
assign (resid  28 and name hn  ) (resid  29 and name hd* )   7.9 7.9 1.0 {9}
assign (resid  28 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  28 and name hn  ) (resid  25 and name hb* )   7.9 7.9 1.0 {9}


assign (resid  28 and name ha1 ) (resid  29 and name hn  )   6.3 6.3 0.0 {9}
assign (resid  28 and name ha2 ) (resid  29 and name hn  )   6.3 6.3 0.0 {9}

{ I29 }
{ HN=8.44, HA=4.18, N=123.1, CA=60.3, CB=40.5 }

assign (resid  29 and name hn  ) (resid  29 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  29 and name hn  ) (resid  29 and name hb  )   3.6 3.6 0.0 {2}
assign (resid  29 and name hn  ) (resid  29 and name hg1*)   6.3 6.3 0.0 {7}
assign (resid  29 and name hn  ) (resid  29 and name hg2*)   7.0 7.0 1.0 {8}
assign (resid  29 and name hn  ) (resid  29 and name hd* )   7.0 7.0 1.0 {8}
assign (resid  29 and name hn  ) (resid  27 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  29 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  29 and name hn  ) (resid  24 and name he* )   7.9 7.9 2.4 {9}
assign (resid  29 and name hn  ) (resid  28 and name ha* )   6.3 6.3 0.7 {7}

assign (resid  29 and name ha  ) (resid  29 and name hb  )   6.3 6.3 0.0 {7}
assign (resid  29 and name ha  ) (resid  29 and name hg1*)   4.6 4.6 0.0 {4}
assign (resid  29 and name ha  ) (resid  29 and name hg2*)   3.6 3.6 1.0 {2}
assign (resid  29 and name ha  ) (resid  29 and name hd* )   7.9 7.9 1.0 {9}
assign (resid  29 and name ha  ) (resid  30 and name hn  )   3.2 3.2 0.0 {1}

assign (resid  29 and name hb  ) (resid  29 and name hd* )   3.2 3.2 1.0 {9}
assign (resid  29 and name hb  ) (resid  29 and name hg1*)   7.9 7.9 0.0 {9}
assign (resid  29 and name hb  ) (resid  29 and name hg2*)   3.6 3.6 1.0 {2}
assign (resid  29 and name hb  ) (resid  24 and name hd* )   5.5 5.5 2.4 {6}
assign (resid  29 and name hb  ) (resid  24 and name he* )   6.3 6.3 2.4 {7}

assign (resid  29 and name hg1*) (resid  29 and name hg2*)   7.9 7.9 1.0 {9}
assign (resid  29 and name hg11) (resid  28 and name ha* )   7.9 7.9 0.7 {9}
assign (resid  29 and name hg12) (resid  28 and name ha* )   7.9 7.9 0.7 {9}
assign (resid  29 and name hg1*) (resid  30 and name hn  )   4.6 4.6 0.7 {4}

assign (resid  29 and name hg2*) (resid  29 and name hd* )   4.2 4.2 2.0 {3}
assign (resid  29 and name hg2*) (resid  24 and name hb* )   7.9 7.9 1.7 {9}
assign (resid  29 and name hg2*) (resid  24 and name hd* )   5.5 5.5 3.4 {6}
assign (resid  29 and name hg2*) (resid  30 and name hn  )   4.2 4.2 1.0 {3}


assign (resid  29 and name hd* ) (resid  24 and name he* )   6.3 6.3 3.4 {7}
assign (resid  29 and name hd* ) (resid  24 and name hd* )   5.5 5.5 3.4 {6}
assign (resid  29 and name hd* ) (resid  44 and name hg2*)   7.9 7.9 2.0 {9}
assign (resid  29 and name hd* ) (resid  41 and name ha  )   6.3 6.3 1.0 {7}


{ R30 }
{ HN=8.64, HA=4.11, N=129.3, CA=56.2, CB=30.1 }

assign (resid  30 and name hn  ) (resid  30 and name ha  )   5.5 5.5 0.0 {4}
assign (resid  30 and name hn  ) (resid  30 and name hb* )   6.3 6.3 0.7 {5}
assign (resid  30 and name hn  ) (resid  30 and name hg* )   4.2 4.2 0.7 {4}
assign (resid  30 and name hn  ) (resid  30 and name hd* )   5.5 5.5 0.7 {9}
assign (resid  30 and name hn  ) (resid  29 and name hn  )   5.5 5.5 0.0 {7}
assign (resid  30 and name hn  ) (resid  31 and name hn  )   5.5 5.5 0.0 {9}
assign (resid  30 and name hn  ) (resid  25 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  30 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  30 and name hn  ) (resid  38 and name ha  )   5.5 5.5 0.0 {6}

assign (resid  30 and name ha  ) (resid  30 and name hb* )   5.5 5.5 0.7 {6}
assign (resid  30 and name ha  ) (resid  30 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  30 and name ha  ) (resid  31 and name hn  )   3.2 3.2 0.0 {1}
assign (resid  30 and name ha  ) (resid  31 and name ha  )   7.9 7.9 0.0 {9}
assign (resid  30 and name ha  ) (resid  29 and name hg2*)   7.0 7.0 1.0 {8}
assign (resid  30 and name ha  ) (resid  36 and name hn  )   7.9 7.9 0.0 {9}


assign (resid  30 and name hb* ) (resid  38 and name hn  )   7.0 7.0 0.7 {8}
assign (resid  30 and name hb* ) (resid  31 and name hn  )   3.6 3.6 0.7 {2}

{ K31 }
{ HN=8.41, HA=4.73, N=126.3, CA=52.8, CB=37.1 }

assign (resid  31 and name hn  ) (resid  31 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  31 and name hn  ) (resid  31 and name hb* )   6.3 6.3 0.7 {7}
assign (resid  31 and name hn  ) (resid  31 and name hg* )   7.9 7.9 0.7 {9}
assign (resid  31 and name hn  ) (resid  31 and name hd* )   4.6 4.6 0.7 {4}
assign (resid  31 and name hn  ) (resid  31 and name he* )   7.9 7.9 0.7 {9}
assign (resid  31 and name hn  ) (resid  32 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  31 and name hn  ) (resid  37 and name hn  )   6.3 6.3 0.0 {7}
assign (resid  31 and name hn  ) (resid  30 and name hd* )   7.9 7.9 0.7 {9}
assign (resid  31 and name hn  ) (resid  24 and name hd* )   7.9 7.9 2.4 {9}
assign (resid  31 and name hn  ) (resid  25 and name ha  )   4.2 4.2 0.0 {3}
assign (resid  31 and name hn  ) (resid  21 and name ha  )   7.9 7.9 0.0 {9}

assign (resid  31 and name ha  ) (resid  31 and name hb* )   4.6 4.6 0.7 {4}

assign (resid  31 and name hb* ) (resid  31 and name hg* )   7.9 7.9 1.4 {9}
assign (resid  31 and name hb* ) (resid  31 and name hd* )   7.9 7.9 1.4 {9}
assign (resid  31 and name hb* ) (resid  32 and name hn  )   6.3 6.3 0.7 {7}
assign (resid  31 and name hb* ) (resid   6 and name hg2*)   7.9 7.9 1.0 {9}
assign (resid  31 and name hb* ) (resid   6 and name hd* )   7.9 7.9 1.7 {9}

assign (resid  31 and name he* ) (resid  31 and name ha  )   6.3 6.3 1.0 {7}
assign (resid  31 and name he* ) (resid  31 and name hg* )   7.0 7.0 1.0 {8}
assign (resid  31 and name he* ) (resid  31 and name hd* )   7.9 7.9 1.0 {9}


{ S32 }
{ HN=8.90, HA=4.65, N=116.2, CA=56.4, CB=65.5 }

assign (resid  32 and name hn  ) (resid  32 and name ha  )   5.5 5.5 0.0 {6}
assign (resid  32 and name hn  ) (resid  32 and name hb1 )   6.3 6.3 0.0 {7}
assign (resid  32 and name hn  ) (resid  32 and name hb2 )   6.3 6.3 0.0 {7}
assign (resid  32 and name hn  ) (resid  31 and name ha  )   5.0 5.0 0.0 {5}
assign (resid  32 and name hn  ) (resid  33 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  32 and name hn  ) (resid  31 and name hg* )   7.9 7.9 0.0 {9}
assign (resid  32 and name hn  ) (resid  31 and name hd* )   7.9 7.9 0.0 {9}
assign (resid  32 and name hn  ) (resid  35 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  32 and name hn  ) (resid  35 and name hb* )   7.0 7.0 0.0 {8}
assign (resid  32 and name hn  ) (resid   6 and name hd* )   7.9 7.9 1.0 {9}
assign (resid  32 and name hn  ) (resid   6 and name hg2*)   7.9 7.9 1.0 {9}

assign (resid  32 and name hb1 ) (resid  33 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  32 and name hb2 ) (resid  33 and name hn  )   4.2 4.2 0.0 {3}
assign (resid  32 and name hb1 ) (resid  34 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  32 and name hb2 ) (resid  34 and name hn  )   7.9 7.9 0.0 {9}
assign (resid  32 and name hb* ) (resid  37 and name hg**)   7.9 7.9 3.2 {9}


{ A33 }
{ HN=8.46, HA=3.72, N=120.8, CA=55.1, CB=19.5 }

assign (resid  33 and name hn  ) (resid  33 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  33 and name hn  ) (resid  33 and name hb* )    5.0 5.0 1.0 {5}
assign (resid  33 and name hn  ) (resid  34 and name hn  )    4.6 4.6 0.0 {4}
assign (resid  33 and name hn  ) (resid  32 and name ha  )    5.0 5.0 0.0 {5}
assign (resid  33 and name hn  ) (resid  35 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  33 and name hn  ) (resid   6 and name hd* )    7.9 7.9 1.0 {9}
assign (resid  33 and name hn  ) (resid  21 and name hg**)    7.9 7.9 2.5 {9}

assign (resid  33 and name ha  ) (resid  33 and name hb* )    3.2 3.2 1.0 {1}
assign (resid  33 and name ha  ) (resid  34 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  33 and name ha  ) (resid   6 and name hd* )    7.9 7.9 1.0 {9}
assign (resid  33 and name ha  ) (resid  21 and name hb  )    7.9 7.9 0.0 {9}

assign (resid  33 and name hb* ) (resid  34 and name hn  )    4.2 4.2 1.0 {3}


{ D34 }
{ HN=7.76, HA=4.75, N=112.9, CA=54.1, CB=41.7 }

assign (resid  34 and name hn  ) (resid  34 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  34 and name hn  ) (resid  34 and name hb* )    4.6 4.6 0.0 {4}
assign (resid  34 and name hn  ) (resid  32 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  34 and name hn  ) (resid  35 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  34 and name hn  ) (resid  36 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  34 and name hn  ) (resid   6 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  34 and name hn  ) (resid  21 and name hg**)    7.9 7.9 2.5 {9}

assign (resid  34 and name ha  ) (resid  34 and name hb* )    7.9 7.9 0.0 {9}

assign (resid  34 and name hb* ) (resid  35 and name hn  )    7.9 7.9 0.7 {9}


{ D35 }
{ HN=7.32, HA=4.69, N=120.2, CA=55.1, CB=44.1 }

assign (resid  35 and name hn  ) (resid  35 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  35 and name hn  ) (resid  35 and name hb1 )    4.2 4.2 0.0 {3}
assign (resid  35 and name hn  ) (resid  35 and name hb2 )    4.2 4.2 0.0 {3}
assign (resid  35 and name hn  ) (resid  36 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  35 and name hn  ) (resid  34 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  35 and name hn  ) (resid  33 and name hb* )    7.0 7.0 1.0 {8}
assign (resid  35 and name hn  ) (resid  32 and name hb* )    7.9 7.9 0.0 {9}
assign (resid  35 and name hn  ) (resid   6 and name hg1*)    6.3 6.3 0.7 {7}
assign (resid  35 and name hn  ) (resid   6 and name hg2*)    6.3 6.3 1.0 {7}
assign (resid  35 and name hn  ) (resid   6 and name hd* )    7.9 7.9 1.0 {9}
assign (resid  35 and name ha  ) (resid  35 and name hb* )    6.3 6.3 0.0 {7}

assign (resid  35 and name hb* ) (resid  36 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  35 and name hb* ) (resid   6 and name hg1*)    7.9 7.9 0.7 {9}


{ S36 }
{ HN=8.57, HA=4.84, N=114.4, CA=57.9, CB=65.1 }


assign (resid  36 and name hn  ) (resid  36 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  36 and name hn  ) (resid  36 and name hb* )    3.6 3.6 0.7 {2}
assign (resid  36 and name hn  ) (resid  35 and name ha  )    5.0 5.0 0.0 {5}
assign (resid  36 and name hn  ) (resid  37 and name hg**)    4.2 4.2 2.5 {3}
assign (resid  36 and name hn  ) (resid  32 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  36 and name hn  ) (resid   6 and name hg1*)    7.9 7.9 0.7 {9}
assign (resid  36 and name hn  ) (resid   6 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  36 and name hn  ) (resid   6 and name hd* )    7.9 7.9 1.0 {9}

assign (resid  36 and name ha  ) (resid  36 and name hb* )    4.2 4.2 0.7 {3}
assign (resid  36 and name ha  ) (resid   5 and name hg2*)    4.2 4.2 1.0 {3}

assign (resid  36 and name hb* ) (resid  35 and name ha  )    6.3 6.3 0.7 {7}
assign (resid  36 and name hb* ) (resid   5 and name hg2*)    6.3 6.3 1.7 {7}


{ V37 }
{ HN=8.57, HA=4.28, N=120.4, CA=60.9, CB=35.0 }

assign (resid  37 and name hn  ) (resid  37 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  37 and name hn  ) (resid  37 and name hb  )    4.2 4.2 0.0 {3}
assign (resid  37 and name hn  ) (resid  37 and name hg**)    6.3 6.3 1.0 {7}
assign (resid  37 and name hn  ) (resid  38 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  37 and name hn  ) (resid  36 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  37 and name hn  ) (resid  36 and name hb* )    3.6 3.6 0.7 {2}
assign (resid  37 and name hn  ) (resid   5 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  37 and name hn  ) (resid   6 and name hd* )    7.9 7.9 1.0 {9}

assign (resid  37 and name ha  ) (resid  37 and name hb  )    6.3 6.3 0.0 {7}
assign (resid  37 and name ha  ) (resid  37 and name hg**)    5.5 5.5 1.0 {6}
assign (resid  37 and name ha  ) (resid  38 and name hn  )    3.6 3.6 0.0 {2}

assign (resid  37 and name hb  ) (resid  37 and name hg**)    5.0 5.0 1.0 {5}
assign (resid  37 and name hb  ) (resid   5 and name ha  )    4.6 4.6 0.0 {4}
assign (resid  37 and name hb  ) (resid  36 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  37 and name hb  ) (resid  38 and name hn  )    7.9 7.9 0.0 {9}

assign (resid  37 and name hg**) (resid  21 and name hn  )    5.0 5.0 2.5 {5}
assign (resid  37 and name hg**) (resid  21 and name ha  )    5.5 5.5 2.5 {6}
assign (resid  37 and name hg**) (resid  21 and name hb  )    6.3 6.3 2.5 {7}
assign (resid  37 and name hg**) (resid  36 and name hb* )    7.9 7.9 3.2 {9}
assign (resid  37 and name hg**) (resid  38 and name hn  )    7.9 7.9 2.5 {9}
assign (resid  37 and name hg**) (resid   6 and name hn  )    7.0 7.0 2.5 {8}
assign (resid  37 and name hg**) (resid  24 and name he* )    7.9 7.9 4.9 {9}
assign (resid  37 and name hg**) (resid  17 and name hb  )    7.9 7.9 2.5 {9} 
assign (resid  37 and name hg**) (resid  17 and name hg**)    7.9 7.9 5.0 {9}


{ S38 }
{ HN=9.43, HA=4.69, N=124.5, CA=56.8, CB=66.2 }

assign (resid  38 and name hn  ) (resid  38 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  38 and name hn  ) (resid  38 and name hb* )    7.0 7.0 0.7 {8}
assign (resid  38 and name hn  ) (resid  29 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  38 and name hn  ) (resid  41 and name hn  )    7.9 7.9 0.0 {9}

assign (resid  38 and name hb* ) (resid  38 and name ha  )    5.5 5.5 0.7 {6}
assign (resid  38 and name hb* ) (resid  39 and name hn  )    7.9 7.9 0.7 {9}


{ A39 }
{ HN=9.02, HA=4.05, N=123.9, CA=55.5, CB=18.1 }

assign (resid  39 and name hn  ) (resid  39 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  39 and name hn  ) (resid  39 and name hb* )    5.5 5.5 1.0 {6}
assign (resid  39 and name hn  ) (resid  38 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  39 and name hn  ) (resid  40 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  39 and name hn  ) (resid  38 and name ha  )    5.0 5.0 0.0 {5}
assign (resid  39 and name hn  ) (resid  41 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  39 and name hn  ) (resid  41 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  39 and name hn  ) (resid  40 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  39 and name hn  ) (resid  40 and name hg* )    7.9 7.9 0.7 {9}
assign (resid  39 and name hn  ) (resid  38 and name ha  )    5.0 5.0 0.0 {5}
assign (resid  39 and name hn  ) (resid   4 and name ha  )    6.3 6.3 0.0 {7}

assign (resid  39 and name ha  ) (resid  39 and name hb* )    5.5 5.5 1.0 {6}
assign (resid  39 and name ha  ) (resid  41 and name hn  )    7.9 7.9 0.0 {9}


{ Q40 }
{ HN=8.44, HA=4.09, N=118.0, CA=57.5, CB=28.7 }

assign (resid  40 and name hn  ) (resid  40 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  40 and name hn  ) (resid  40 and name hb* )    3.6 3.6 0.7 {2}
assign (resid  40 and name hn  ) (resid  40 and name hg* )    4.2 4.2 0.7 {3}
assign (resid  40 and name hn  ) (resid  41 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  40 and name hn  ) (resid  39 and name hb* )    5.5 5.5 1.0 {6}

assign (resid  40 and name hb* ) (resid  39 and name hb* )    7.9 7.9 1.7 {9}



{ E41 }
{ HN=7.87, HA=3.89, N=121.6, CA=59.5, CB=30.4 }
{this assignment is uncertain and hg is not found}

assign (resid  41 and name hn  ) (resid  41 and name ha  )    5.0 5.0 0.0 {5}
assign (resid  41 and name hn  ) (resid  41 and name hb* )    6.3 6.3 0.7 {7}
assign (resid  41 and name hn  ) (resid  41 and name hg* )    5.0 5.0 0.7 {5} 
assign (resid  41 and name hn  ) (resid  40 and name hb* )    6.3 6.3 0.7 {7}
assign (resid  41 and name hn  ) (resid  44 and name hn  )    7.9 7.9 0.0 {9}    
assign (resid  41 and name hn  ) (resid  24 and name he* )    7.9 7.9 2.4 {9}
assign (resid  41 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  41 and name hn  ) (resid  42 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  41 and name hn  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  41 and name hn  ) (resid  17 and name hg**)    7.9 7.9 2.5 {9}
assign (resid  41 and name hn  ) (resid  38 and name hn  )    7.0 7.0 0.0 {8}

assign (resid  41 and name ha  ) (resid  41 and name hb* )    5.5 5.5 0.7 {6}
assign (resid  41 and name ha  ) (resid  41 and name hg* )    5.5 5.5 0.7 {6}  
assign (resid  41 and name ha  ) (resid  42 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  41 and name ha  ) (resid  38 and name hn  )    7.0 7.0 0.0 {8}
assign (resid  41 and name ha  ) (resid  44 and name hb  )    5.5 5.5 0.0 {6}
assign (resid  41 and name ha  ) (resid  44 and name hg2*)    7.0 7.0 1.0 {8}
assign (resid  41 and name ha  ) (resid  24 and name he* )    7.0 7.0 2.4 {8}

assign (resid  41 and name hb* ) (resid  41 and name hg* )    7.0 7.0 1.4 {8}
assign (resid  41 and name hb* ) (resid  40 and name hn  )    6.3 6.3 0.7 {7}  


{ K42 }
{ HN=8.43, HA=3.77, N=119.3, CA=60.5, CB=32.6 }

assign (resid  42 and name hn  ) (resid  42 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  42 and name hn  ) (resid  42 and name hb* )    4.2 4.2 0.7 {3}
assign (resid  42 and name hn  ) (resid  42 and name hg* )    7.9 7.9 0.7 {9} 
assign (resid  42 and name hn  ) (resid  42 and name hd* )    7.9 7.9 0.7 {9} 
assign (resid  42 and name hn  ) (resid  42 and name he* )    7.9 7.9 0.7 {9}  
assign (resid  42 and name hn  ) (resid  41 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  42 and name hn  ) (resid  43 and name hn  )    4.2 4.2 0.0 {3} 
assign (resid  42 and name hn  ) (resid  41 and name ha  )    7.0 7.0 0.0 {8}
assign (resid  42 and name hn  ) (resid  41 and name hb* )    5.5 5.5 0.7 {6}
assign (resid  42 and name hn  ) (resid  41 and name hg* )    7.9 7.9 0.7 {9}   
assign (resid  42 and name hn  ) (resid  38 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  42 and name hn  ) (resid  39 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  42 and name hn  ) (resid  43 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  42 and name hn  ) (resid  24 and name he* )    7.9 7.9 2.4 {9}
assign (resid  42 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  42 and name hn  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}

assign (resid  42 and name ha  ) (resid  42 and name hb* )    5.5 5.5 0.7 {6}
assign (resid  42 and name ha  ) (resid  42 and name hg* )    6.3 6.3 0.7 {7}
assign (resid  42 and name ha  ) (resid  42 and name hd* )    6.3 6.3 0.7 {7}
assign (resid  42 and name ha  ) (resid  45 and name hd**)    6.3 6.3 2.5 {7}
assign (resid  42 and name ha  ) (resid  37 and name hg**)    7.9 7.9 2.5 {9}
assign (resid  42 and name ha  ) (resid  43 and name hn  )    6.3 6.3 0.0 {7}
assign (resid  42 and name ha  ) (resid  45 and name hn  )    6.3 6.3 0.0 {7}   
assign (resid  42 and name ha  ) (resid  24 and name he* )    6.3 6.3 2.4 {7}
assign (resid  42 and name ha  ) (resid  24 and name hz  )    6.3 6.3 0.0 {7}

assign (resid  42 and name hb* ) (resid  43 and name hn  )    6.3 6.3 0.7 {7}

    
{ Q43 }
{ HN=7.88, HA=3.81, N=117.7, CA=58.3, CB=28.2 }

assign (resid  43 and name hn  ) (resid  43 and name ha  )    3.6 3.6 0.0 {2}
assign (resid  43 and name hn  ) (resid  43 and name hb* )    3.2 3.2 0.7 {1}
assign (resid  43 and name hn  ) (resid  43 and name hg* )    6.3 6.3 0.7 {7}
assign (resid  43 and name hn  ) (resid  44 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  43 and name hn  ) (resid  40 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  43 and name hn  ) (resid  46 and name hb  )    7.9 7.9 0.0 {9}
assign (resid  43 and name hn  ) (resid  46 and name hg2*)    7.9 7.9 1.0 {9}  
assign (resid  43 and name hn  ) (resid  46 and name hd* )    7.9 7.9 1.0 {9}
assign (resid  43 and name hn  ) (resid  20 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  43 and name hn  ) (resid  20 and name hd**)    7.9 7.9 2.5 {9}


assign (resid  43 and name ha  ) (resid  43 and name hb* )    4.2 4.2 0.7 {3}
assign (resid  43 and name ha  ) (resid  43 and name hg* )    5.5 5.5 0.7 {6}
assign (resid  43 and name ha  ) (resid  46 and name hn  )    6.3 6.3 0.0 {7}
assign (resid  43 and name ha  ) (resid  47 and name hn  )    6.3 6.3 0.0 {7}
assign (resid  43 and name ha  ) (resid  46 and name hb  )    4.6 4.6 0.0 {4}
assign (resid  43 and name ha  ) (resid  46 and name hg1*)    7.9 7.9 0.7 {9}
assign (resid  43 and name ha  ) (resid  46 and name hg2*)    6.3 6.3 1.0 {7}
assign (resid  43 and name ha  ) (resid  46 and name hd* )    5.5 5.5 1.0 {6}

assign (resid  43 and name hb* ) (resid  43 and name hg* )    5.0 5.0 1.4 {5}

assign (resid  43 and name he* ) (resid  43 and name ha  )    7.9 7.9 1.0 {9}
assign (resid  43 and name he* ) (resid  43 and name hb* )    7.9 7.9 1.7 {9}  
assign (resid  43 and name he* ) (resid  43 and name hg* )    5.5 5.5 1.7 {6}  
assign (resid  43 and name he* ) (resid  46 and name hb  )    7.9 7.9 1.0 {9}
assign (resid  43 and name he* ) (resid  47 and name hn  )    7.9 7.9 1.0 {9}


{ T44 }
{ HN=8.21, HA=3.97, N=117.3, CA=67.0, CB=68.4 }

assign (resid  44 and name hn  ) (resid  44 and name ha  )    3.2 3.2 0.0 {1}
assign (resid  44 and name hn  ) (resid  44 and name hb  )    3.6 3.6 0.0 {2}
assign (resid  44 and name hn  ) (resid  44 and name hg2*)    6.3 6.3 1.0 {7}
assign (resid  44 and name hn  ) (resid  43 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  44 and name hn  ) (resid  43 and name hb* )    5.0 5.0 0.7 {5}
assign (resid  44 and name hn  ) (resid  43 and name hg* )    6.3 6.3 0.7 {7}  
assign (resid  44 and name hn  ) (resid  45 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  44 and name hn  ) (resid  41 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  44 and name hn  ) (resid  47 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  44 and name hn  ) (resid  47 and name hn  )    7.9 7.9 0.0 {9}  
assign (resid  44 and name hn  ) (resid  45 and name ha  )    7.9 7.9 0.0 {9} 
assign (resid  44 and name hn  ) (resid  45 and name hd**)    7.9 7.9 2.5 {9} 
assign (resid  44 and name hn  ) (resid  46 and name hb  )    7.9 7.9 0.0 {9}
assign (resid  44 and name hn  ) (resid  24 and name he* )    7.9 7.9 2.5 {9}
assign (resid  44 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  44 and name hn  ) (resid  27 and name ha  )    7.9 7.9 1.0 {9}
assign (resid  44 and name hn  ) (resid  40 and name ha  )    7.0 7.0 0.0 {8}
assign (resid  44 and name hn  ) (resid  40 and name hn  )    7.9 7.9 0.0 {9}

assign (resid  44 and name ha  ) (resid  44 and name hb  )    5.5 5.5 0.0 {6}
assign (resid  44 and name ha  ) (resid  44 and name hg2*)    3.6 3.6 1.0 {2}
assign (resid  44 and name ha  ) (resid  47 and name hb* )    6.3 6.3 0.7 {7}
assign (resid  44 and name ha  ) (resid  47 and name hn  )    4.6 4.6 0.0 {4}
assign (resid  44 and name ha  ) (resid  45 and name hn  )    3.6 3.6 0.0 {2} 

assign (resid  44 and name hb  ) (resid  44 and name hg2*)    3.6 3.6 1.0 {2}
assign (resid  44 and name hb  ) (resid  45 and name hn  )    3.6 3.6 0.0 {2}

{ L45 }
{ HN=7.75, HA=3.64, N=122.8, CA=58.8, CB=41.0 }

assign (resid  45 and name hn  ) (resid  45 and name ha  )    3.6 3.6 0.0 {2}
assign (resid  45 and name hn  ) (resid  45 and name hb* )    3.6 3.6 0.7 {2}
assign (resid  45 and name hn  ) (resid  45 and name hd**)    6.3 6.3 2.5 {7}
assign (resid  45 and name hn  ) (resid  46 and name hn  )    4.6 4.6 0.0 {4}
assign (resid  45 and name hn  ) (resid  47 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  45 and name hn  ) (resid  44 and name hg2*)    4.2 4.2 1.0 {3}
assign (resid  45 and name hn  ) (resid  24 and name hd* )    7.9 7.9 2.4 {9}
assign (resid  45 and name hn  ) (resid  24 and name he* )    6.3 6.3 2.4 {7}
assign (resid  45 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  45 and name hn  ) (resid  24 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  45 and name hn  ) (resid  49 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  45 and name hn  ) (resid  43 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  45 and name hn  ) (resid  43 and name hg* )    7.9 7.9 0.7 {9}
assign (resid  45 and name hn  ) (resid  47 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  45 and name hn  ) (resid  48 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  45 and name hn  ) (resid  46 and name hg1*)    7.9 7.9 0.7 {9}
assign (resid  45 and name hn  ) (resid  46 and name hg2*)    7.9 7.9 1.0 {9} 
assign (resid  45 and name hn  ) (resid  46 and name hd* )    7.9 7.9 1.0 {9} 
assign (resid  45 and name hn  ) (resid  49 and name hd**)    7.9 7.9 2.5 {9}   

assign (resid  45 and name ha  ) (resid  45 and name hb* )    4.2 4.2 0.7 {3}
assign (resid  45 and name ha  ) (resid  45 and name hg  )    4.2 4.2 0.0 {3}
assign (resid  45 and name ha  ) (resid  45 and name hd**)    3.6 3.6 2.5 {2}
assign (resid  45 and name ha  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  45 and name ha  ) (resid  48 and name hb* )    6.3 6.3 0.0 {7}
assign (resid  45 and name ha  ) (resid  48 and name hn  )    7.0 7.0 0.0 {8}
assign (resid  45 and name ha  ) (resid  46 and name hn  )    7.9 7.9 0.0 {9}  
assign (resid  45 and name ha  ) (resid  49 and name hd**)    7.9 7.9 2.5 {9}   

assign (resid  45 and name hb* ) (resid  45 and name hd**)    3.6 3.6 3.2 {2}
assign (resid  45 and name hb* ) (resid  45 and name hg  )    5.5 5.5 0.7 {6}
assign (resid  45 and name hb* ) (resid  42 and name ha  )    7.0 7.0 0.7 {8}
assign (resid  45 and name hb* ) (resid  24 and name he* )    7.0 7.0 3.1 {8}
assign (resid  45 and name hb* ) (resid  46 and name hn  )    4.6 4.6 0.7 {4}

assign (resid  45 and name hg  ) (resid  45 and name hd**)    3.6 3.6 2.5 {2}
assign (resid  45 and name hg  ) (resid  46 and name hn  )    7.0 7.0 0.0 {8} 
assign (resid  45 and name hg  ) (resid  49 and name hn  )    7.9 7.9 0.0 {9} 
assign (resid  45 and name hg  ) (resid  17 and name ha  )    7.0 7.0 0.0 {8}

assign (resid  45 and name hd**) (resid  23 and name hb* )    5.5 5.5 3.2 {6}
assign (resid  45 and name hd**) (resid  23 and name hg* )    7.9 7.9 3.2 {9}
assign (resid  45 and name hd**) (resid  48 and name hb* )    7.0 7.0 3.2 {8}
assign (resid  45 and name hd**) (resid  46 and name hg* )    5.5 5.5 3.2 {6}
assign (resid  45 and name hd**) (resid  49 and name hn  )    6.3 6.3 3.2 {7}
assign (resid  45 and name hd**) (resid  49 and name hd**)    4.2 4.2 5.0 {3}


{ I46 }
{ HN=8.01, HA=3.38, N=119.5 CA=65.3, CB=57.7 }

assign (resid  46 and name hn  ) (resid  46 and name ha  )    3.6 3.6 0.0 {2}
assign (resid  46 and name hn  ) (resid  46 and name hb  )    3.2 3.2 0.0 {1}
assign (resid  46 and name hn  ) (resid  46 and name hg1*)    5.5 5.5 0.7 {6}
assign (resid  46 and name hn  ) (resid  46 and name hg2*)    6.3 6.3 1.0 {7}
assign (resid  46 and name hn  ) (resid  46 and name hd* )    6.3 6.3 1.0 {7}
assign (resid  46 and name hn  ) (resid  47 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  46 and name hn  ) (resid  47 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  46 and name hn  ) (resid  45 and name hd**)    4.6 4.6 2.5 {4}
assign (resid  46 and name hn  ) (resid  49 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  46 and name hn  ) (resid  24 and name he* )    7.9 7.9 2.4 {9}
assign (resid  46 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  46 and name hn  ) (resid  43 and name hb* )    5.5 5.5 0.7 {6}
assign (resid  46 and name hn  ) (resid  44 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  46 and name hn  ) (resid  44 and name hb  )    7.9 7.9 0.0 {9}
assign (resid  46 and name hn  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  46 and name hn  ) (resid  49 and name hd**)    7.9 7.9 2.5 {9}  

assign (resid  46 and name ha  ) (resid  46 and name hb  )    3.6 3.6 0.0 {2}
assign (resid  46 and name ha  ) (resid  46 and name hg1*)    4.2 4.2 0.7 {3}
assign (resid  46 and name ha  ) (resid  46 and name hg2*)    4.2 4.2 1.0 {3}
assign (resid  46 and name ha  ) (resid  46 and name hd* )    4.2 4.2 1.0 {3}
assign (resid  46 and name ha  ) (resid  45 and name hd**)    6.3 6.3 2.5 {7}
assign (resid  46 and name ha  ) (resid  47 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  46 and name ha  ) (resid  48 and name hn  )    7.9 7.9 0.0 {9} 
assign (resid  46 and name ha  ) (resid  49 and name hn  )    4.2 4.2 0.0 {3}
assign (resid  46 and name ha  ) (resid  49 and name hd**)    4.2 4.2 2.5 {3} 

assign (resid  46 and name hb  ) (resid  46 and name hg1*)    6.3 6.3 0.7 {7}
assign (resid  46 and name hb  ) (resid  46 and name hg2*)    5.0 5.0 1.0 {5}
assign (resid  46 and name hb  ) (resid  46 and name hd* )    4.2 4.2 1.0 {3}
assign (resid  46 and name hb  ) (resid  47 and name hn  )    3.6 3.6 0.0 {2}  
assign (resid  46 and name hb  ) (resid  43 and name ha  )    4.2 4.2 0.0 {3}   

assign (resid  46 and name hg1*) (resid  46 and name hg2*)    5.5 5.5 1.7 {6}
assign (resid  46 and name hg1*) (resid  46 and name hd* )    5.5 5.5 1.7 {6}  

assign (resid  46 and name hg2*) (resid  47 and name hn  )    6.3 6.3 1.0 {7}
assign (resid  46 and name hg2*) (resid  43 and name hb* )    7.9 7.9 1.7 {9}
assign (resid  46 and name hg2*) (resid  50 and name hb* )    7.9 7.9 1.7 {9}

assign (resid  46 and name hd* ) (resid  43 and name hb* )    7.9 7.9 1.7 {9}
assign (resid  46 and name hd* ) (resid  43 and name hg* )    7.9 7.9 1.7 {9}
assign (resid  46 and name hd* ) (resid  47 and name hn  )    7.9 7.9 1.0 {9} 


{ D47 }
{ HN=8.77, HA=4.38, N=120.4 CA=57.5, CB=40.3 }

assign (resid  47 and name hn  ) (resid  47 and name ha  )    3.6 3.6 0.0 {2}
assign (resid  47 and name hn  ) (resid  47 and name hb* )    4.2 4.2 0.0 {3}
assign (resid  47 and name hn  ) (resid  48 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  47 and name hn  ) (resid  49 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  47 and name hn  ) (resid  49 and name ha  )    7.0 7.0 0.0 {8}
assign (resid  47 and name hn  ) (resid  48 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  47 and name hn  ) (resid  48 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  47 and name hn  ) (resid  46 and name hg1*)    7.9 7.9 0.7 {9}
assign (resid  47 and name hn  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  47 and name hn  ) (resid  45 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  47 and name hn  ) (resid  45 and name hd**)    6.3 6.3 2.5 {9}
assign (resid  47 and name hn  ) (resid  45 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  47 and name hn  ) (resid  43 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  47 and name hn  ) (resid  43 and name hg* )    7.9 7.9 0.7 {9}   
assign (resid  47 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}

assign (resid  47 and name ha  ) (resid  47 and name hb* )    5.0 5.0 0.7 {5}
assign (resid  47 and name ha  ) (resid  48 and name hn  )    5.5 5.5 0.0 {6}
assign (resid  47 and name ha  ) (resid  46 and name hg2*)    5.5 5.5 1.0 {6}
assign (resid  47 and name ha  ) (resid  24 and name hz  )    7.0 7.0 0.0 {8}

assign (resid  47 and name hb* ) (resid  48 and name hn  )    6.3 6.3 0.7 {7}


{ H48 }
{ HN=8.11, HA=4.21, N=121.1 CA=60.4, CB=30.4 }

assign (resid  48 and name hn  ) (resid  48 and name ha  )    5.5 5.5 0.0 {6}
assign (resid  48 and name hn  ) (resid  48 and name hb1 )    3.6 3.6 0.0 {2}
assign (resid  48 and name hn  ) (resid  49 and name hn  )    3.6 3.6 0.0 {2}
assign (resid  48 and name hn  ) (resid  49 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  48 and name hn  ) (resid  44 and name hg2*)    7.9 7.9 1.0 {9}
assign (resid  48 and name hn  ) (resid  46 and name hg2*)    7.9 7.9 1.0 {9} 
assign (resid  48 and name hn  ) (resid  49 and name hd**)    7.9 7.9 2.5 {9}
assign (resid  48 and name hn  ) (resid  27 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  48 and name hn  ) (resid  27 and name hb* )    7.9 7.9 1.0 {9}
assign (resid  48 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}

assign (resid  48 and name ha  ) (resid  48 and name hb* )    6.3 6.3 0.7 {7}

assign (resid  48 and name hb* ) (resid  49 and name hn  )    6.3 6.3 0.7 {7}
assign (resid  48 and name hb* ) (resid  27 and name hb* )    6.3 6.3 1.7 {7}

assign (resid  48 and name hd2 ) (resid  48 and name hb* )    4.2 4.2 0.7 {3}    
assign (resid  48 and name hd2 ) (resid  25 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  48 and name hd2 ) (resid  26 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  48 and name hd2 ) (resid  27 and name hb* )    4.2 4.2 1.0 {3}
assign (resid  48 and name hd2 ) (resid  24 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  48 and name hd2 ) (resid  22 and name ha  )    7.9 7.9 0.0 {9}

assign (resid  48 and name he1 ) (resid  27 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  48 and name he1 ) (resid  27 and name hb* )    4.6 4.6 1.0 {4}
assign (resid  48 and name he1 ) (resid  26 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  48 and name he1 ) (resid  22 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  48 and name he1 ) (resid  25 and name ha  )    7.9 7.9 0.0 {9}



{ L49 }
{ HN=8.41, HA=3.82, N=119.1 CA=57.0, CB=41.5 }

assign (resid  49 and name hn  ) (resid  49 and name ha  )    4.2 4.2 0.0 {3}
assign (resid  49 and name hn  ) (resid  49 and name hb* )    4.6 4.6 0.7 {4}
assign (resid  49 and name hn  ) (resid  49 and name hd**)    4.2 4.2 2.5 {3}
assign (resid  49 and name hn  ) (resid  48 and name ha  )    7.0 7.0 0.0 {8}
assign (resid  49 and name hn  ) (resid  50 and name ha  )    7.9 7.9 0.0 {9}  
assign (resid  49 and name hn  ) (resid  50 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  49 and name hn  ) (resid  47 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  49 and name hn  ) (resid  27 and name hb* )    7.9 7.9 1.0 {9}
assign (resid  49 and name hn  ) (resid  24 and name hz  )    7.9 7.9 0.0 {9}
assign (resid  49 and name hn  ) (resid  23 and name hg* )    7.9 7.9 0.7 {9}

assign (resid  49 and name ha  ) (resid  49 and name hb* )    5.0 5.0 0.7 {5}
assign (resid  49 and name ha  ) (resid  49 and name hd**)    6.3 6.3 2.5 {7}
assign (resid  49 and name ha  ) (resid  48 and name hn  )    6.3 6.3 0.0 {7}
assign (resid  49 and name ha  ) (resid  48 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  49 and name ha  ) (resid  45 and name hd**)    7.9 7.9 2.5 {9}

assign (resid  49 and name hb* ) (resid  49 and name hd* )    4.2 4.2 3.2 {3}
assign (resid  49 and name hb* ) (resid  48 and name hn  )    6.3 6.3 0.0 {7}   
assign (resid  49 and name hb* ) (resid  48 and name hb* )    6.3 6.3 1.4 {7}

assign (resid  49 and name hg  ) (resid  49 and name hn  )    5.5 5.5 0.0 {6}
assign (resid  49 and name hg  ) (resid  49 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  49 and name hg  ) (resid  49 and name hb* )    6.3 6.3 0.7 {7}
assign (resid  49 and name hg  ) (resid  49 and name hd**)    5.0 5.0 2.5 {5}
assign (resid  49 and name hg  ) (resid  48 and name hb* )    6.3 6.3 0.7 {7}
assign (resid  49 and name hg  ) (resid  45 and name hd**)    7.0 7.0 2.5 {8}

assign (resid  49 and name hd**) (resid  48 and name hb* )    6.3 6.3 2.5 {7}
assign (resid  49 and name hd**) (resid  45 and name hd**)    7.0 7.0 5.0 {8}
assign (resid  49 and name hd**) (resid  23 and name hg* )    7.9 7.9 3.2 {9}

{ N50 }
{ HN=8.11, HA=4.56, N=117.5 CA=54.5, CB=38.5 }

assign (resid  50 and name hn  ) (resid  50 and name ha  )    3.2 3.2 0.0 {1}
assign (resid  50 and name hn  ) (resid  50 and name hb* )    3.2 3.2 0.7 {1}
assign (resid  50 and name hn  ) (resid  49 and name hn  )    5.0 5.0 0.0 {5}
assign (resid  50 and name hn  ) (resid  47 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  50 and name hn  ) (resid  48 and name ha  )    6.3 6.3 0.0 {7}
assign (resid  50 and name hn  ) (resid  49 and name hb* )    4.2 4.2 0.7 {3}
assign (resid  50 and name hn  ) (resid  48 and name hb* )    7.9 7.9 0.7 {9}    
assign (resid  50 and name hn  ) (resid  48 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  50 and name hn  ) (resid  47 and name hn  )    7.9 7.9 0.0 {9}
assign (resid  50 and name hn  ) (resid  48 and name ha  )    7.9 7.9 0.0 {9}
assign (resid  50 and name hn  ) (resid  47 and name hb* )    7.9 7.9 0.7 {9}
assign (resid  50 and name hn  ) (resid  49 and name hd**)    7.9 7.9 2.5 {9}

assign (resid  50 and name ha  ) (resid  50 and name hb* )    3.2 3.2 0.7 {1}

assign (resid  50 and name hb* ) (resid  47 and name ha  )    5.5 5.5 0.7 {6}
assign (resid  50 and name hb* ) (resid  46 and name hg2*)    6.3 6.3 1.7 {7}

{ hydrogen bonds in regular alpha helices and beta sheets are
  defined using distance restraints  }

{ *****  link strand  3-6 to 35-38  antiparallel  ***** }

assign (resid   2 and name o  )    (resid  39 and name hn)    2.15 0.25 0.25
assign (resid   2 and name c  )    (resid  39 and name  n)    4.35 0.25 0.25
assign (resid   2 and name o  )    (resid  39 and name  n)    3.14 0.25 0.25
assign (resid   2 and name c  )    (resid  39 and name hn)    3.38 0.25 0.25
 
assign (resid   4 and name o  )    (resid  37 and name hn)    2.15 0.25 0.25
assign (resid   4 and name c  )    (resid  37 and name  n)    4.35 0.25 0.25
assign (resid   4 and name o  )    (resid  37 and name  n)    3.14 0.25 0.25
assign (resid   4 and name c  )    (resid  37 and name hn)    3.38 0.25 0.25
 
assign (resid  37 and name o  )    (resid   4 and name hn)    2.15 0.25 0.25
assign (resid  37 and name c  )    (resid   4 and name  n)    4.35 0.25 0.25
assign (resid  37 and name o  )    (resid   4 and name  n)    3.14 0.25 0.25
assign (resid  37 and name c  )    (resid   4 and name hn)    3.38 0.25 0.25
 
assign (resid   6 and name o  )    (resid  35 and name hn)    2.15 0.25 0.25
assign (resid   6 and name c  )    (resid  35 and name  n)    4.35 0.25 0.25
assign (resid   6 and name o  )    (resid  35 and name  n)    3.14 0.25 0.25
assign (resid   6 and name c  )    (resid  35 and name hn)    3.38 0.25 0.25
 
assign (resid  35 and name o  )    (resid   6 and name hn)    2.15 0.25 0.25
assign (resid  35 and name c  )    (resid   6 and name  n)    4.35 0.25 0.25
assign (resid  35 and name o  )    (resid   6 and name  n)    3.14 0.25 0.25
assign (resid  35 and name c  )    (resid   6 and name hn)    3.38 0.25 0.25

{ ******  helix alpha 8 to 13 ***** } 
 
assign (resid  9 and name o  )    (resid 13 and name hn)    2.15 0.25 0.25
assign (resid  9 and name c  )    (resid 13 and name  n)    4.35 0.25 0.25
assign (resid  9 and name o  )    (resid 13 and name  n)    3.14 0.25 0.25
assign (resid  9 and name c  )    (resid 13 and name hn)    3.38 0.25 0.25


{ ******  helix alpha 16 to 26 ***** }
 
assign (resid 17 and name o  )    (resid 21 and name hn)    2.15 0.25 0.25
assign (resid 17 and name c  )    (resid 21 and name  n)    4.35 0.25 0.25
assign (resid 17 and name o  )    (resid 21 and name  n)    3.14 0.25 0.25
assign (resid 17 and name c  )    (resid 21 and name hn)    3.38 0.25 0.25

assign (resid 18 and name o  )    (resid 22 and name hn)    2.15 0.25 0.25
assign (resid 18 and name c  )    (resid 22 and name  n)    4.35 0.25 0.25
assign (resid 18 and name o  )    (resid 22 and name  n)    3.14 0.25 0.25
assign (resid 18 and name c  )    (resid 22 and name hn)    3.38 0.25 0.25
 
assign (resid 19 and name o  )    (resid 23 and name hn)    2.15 0.25 0.25
assign (resid 19 and name c  )    (resid 23 and name  n)    4.35 0.25 0.25
assign (resid 19 and name o  )    (resid 23 and name  n)    3.14 0.25 0.25
assign (resid 19 and name c  )    (resid 23 and name hn)    3.38 0.25 0.25

assign (resid 20 and name o  )    (resid 24 and name hn)    2.15 0.25 0.25
assign (resid 20 and name c  )    (resid 24 and name  n)    4.35 0.25 0.25
assign (resid 20 and name o  )    (resid 24 and name  n)    3.14 0.25 0.25
assign (resid 20 and name c  )    (resid 24 and name hn)    3.38 0.25 0.25
 
assign (resid 21 and name o  )    (resid 25 and name hn)    2.15 0.25 0.25
assign (resid 21 and name c  )    (resid 25 and name  n)    4.35 0.25 0.25
assign (resid 21 and name o  )    (resid 25 and name  n)    3.14 0.25 0.25
assign (resid 21 and name c  )    (resid 25 and name hn)    3.38 0.25 0.25

assign (resid 22 and name o  )    (resid 26 and name hn)    2.15 0.25 0.25
assign (resid 22 and name c  )    (resid 26 and name  n)    4.35 0.25 0.25
assign (resid 22 and name o  )    (resid 26 and name  n)    3.14 0.25 0.25
assign (resid 22 and name c  )    (resid 26 and name hn)    3.38 0.25 0.25


{ ******  helix alpha 43 to 50 ***** }    


assign (resid 44 and name o  )    (resid 48 and name hn)    2.15 0.25 0.25
assign (resid 44 and name c  )    (resid 48 and name  n)    4.35 0.25 0.25
assign (resid 44 and name o  )    (resid 48 and name  n)    3.14 0.25 0.25
assign (resid 44 and name c  )    (resid 48 and name hn)    3.38 0.25 0.25

assign (resid 45 and name o  )    (resid 49 and name hn)    2.15 0.25 0.25
assign (resid 45 and name c  )    (resid 49 and name  n)    4.35 0.25 0.25
assign (resid 45 and name o  )    (resid 49 and name  n)    3.14 0.25 0.25
assign (resid 45 and name c  )    (resid 49 and name hn)    3.38 0.25 0.25

assign (resid 46 and name o  )    (resid 50 and name hn)    2.15 0.25 0.25
assign (resid 46 and name c  )    (resid 50 and name  n)    4.35 0.25 0.25
assign (resid 46 and name o  )    (resid 50 and name  n)    3.14 0.25 0.25
assign (resid 46 and name c  )    (resid 50 and name hn)    3.38 0.25 0.25


{ Dihedral angle constraits are used as follows:  
  
  Torsion angle restraints are used to restrict dihedral angles 
  to values within the range typical of beta sheets and alpha helices,
  when these regions of regular secondary structure are clearly identified
  by characteristic NOE cross peaks and chemical shift values.      } 


{*** beta strand 3 to 5 ***}

 
assign (resid  2 and name  o)   (resid  3 and name n)
       (resid  3 and name ca)   (resid  3 and name o) 1.0 -120.0 25.0 2
 
assign (resid  3 and name  n)   (resid  3 and name ca)
       (resid  3 and name  c)   (resid  4 and name n )  1.0  150.0 25.0 2
 
 
 
assign (resid  3 and name  o)   (resid  4 and name n)
       (resid  4 and name ca)   (resid  4 and name o) 1.0 -120.0 25.0 2
 
assign (resid  4 and name  n)   (resid  4 and name ca)
       (resid  4 and name  c)   (resid  5 and name n )  1.0  150.0 25.0 2
 
 
 
assign (resid  4 and name  o)   (resid  5 and name n)
       (resid  5 and name ca)   (resid  5 and name o) 1.0 -120.0 25.0 2
 
assign (resid  5 and name  n)   (resid  5 and name ca)
       (resid  5 and name  c)   (resid  6 and name n )  1.0  150.0 25.0 2
 
 
 

{*** alpha helix 8 to 13 ***}
 
assign (resid   8 and name c )   (resid   9 and name n)
       (resid   9 and name ca)   (resid   9 and name c )  1.0 -60.0 10.0 2
 
assign (resid   9 and name n )   (resid   9 and name ca)
       (resid   9 and name c )   (resid  10 and name n )  1.0 -60.0 10.0 2

 
assign (resid   9 and name c )   (resid  10 and name n)
       (resid  10 and name ca)   (resid  10 and name c )  1.0 -60.0 10.0 2
 
assign (resid  10 and name n )   (resid  10 and name ca)
       (resid  10 and name c )   (resid  11 and name n )  1.0 -60.0 10.0 2
 

assign (resid  10 and name c )   (resid  11 and name n)
       (resid  11 and name ca)   (resid  11 and name c )  1.0 -60.0 10.0 2
 
assign (resid  11 and name n )   (resid  11 and name ca)
       (resid  11 and name c )   (resid  12 and name n )  1.0 -60.0 10.0 2


assign (resid  11 and name c )   (resid  12 and name n)
       (resid  12 and name ca)   (resid  12 and name c )  1.0 -60.0 10.0 2
 
assign (resid  12 and name n )   (resid  12 and name ca)
       (resid  12 and name c )   (resid  13 and name n )  1.0 -60.0 10.0 2


assign (resid  12 and name c )   (resid  13 and name n)
       (resid  13 and name ca)   (resid  13 and name c )  1.0 -60.0 10.0 2

assign (resid  13 and name n )   (resid  13 and name ca)
       (resid  13 and name c )   (resid  14 and name n )  1.0 -60.0 10.0 2



{*** alpha helix 16 to 26 ***}


 
assign (resid  16 and name c )   (resid  17 and name n )
       (resid  17 and name ca)   (resid  17 and name c )  1.0 -60.0 10.0 2
 
assign (resid  17 and name n )   (resid  17 and name ca)
       (resid  17 and name c )   (resid  18 and name n )  1.0 -60.0 10.0 2


assign (resid  17 and name c )   (resid  18 and name n )
       (resid  18 and name ca)   (resid  18 and name c )  1.0 -60.0 10.0 2
 
assign (resid  18 and name n )   (resid  18 and name ca)
       (resid  18 and name c )   (resid  19 and name n )  1.0 -60.0 10.0 2


assign (resid  18 and name c )   (resid  19 and name n )
       (resid  19 and name ca)   (resid  19 and name c )  1.0 -60.0 10.0 2
 
assign (resid  19 and name n )   (resid  19 and name ca)
       (resid  19 and name c )   (resid  20 and name n )  1.0 -60.0 10.0 2


assign (resid  19 and name c )   (resid  20 and name n )
       (resid  20 and name ca)   (resid  20 and name c )  1.0 -60.0 10.0 2
 
assign (resid  20 and name n )   (resid  20 and name ca)
       (resid  20 and name c )   (resid  21 and name n )  1.0 -60.0 10.0 2


assign (resid  20 and name c )   (resid  21 and name n )
       (resid  21 and name ca)   (resid  21 and name c )  1.0 -60.0 10.0 2

assign (resid  21 and name n )   (resid  21 and name ca)
       (resid  21 and name c )   (resid  22 and name n )  1.0 -60.0 10.0 2


assign (resid  21 and name c )   (resid  22 and name n )
       (resid  22 and name ca)   (resid  22 and name c )  1.0 -60.0 10.0 2
 
assign (resid  22 and name n )   (resid  22 and name ca)
       (resid  22 and name c )   (resid  23 and name n )  1.0 -60.0 10.0 2


assign (resid  22 and name c )   (resid  23 and name n )
       (resid  23 and name ca)   (resid  23 and name c )  1.0 -60.0 10.0 2
 
assign (resid  23 and name n )   (resid  23 and name ca)
       (resid  23 and name c )   (resid  24 and name n )  1.0 -60.0 10.0 2


assign (resid  23 and name c )   (resid  24 and name n )
       (resid  24 and name ca)   (resid  24 and name c )  1.0 -60.0 10.0 2

assign (resid  24 and name n )   (resid  24 and name ca)
       (resid  24 and name c )   (resid  25 and name n )  1.0 -60.0 10.0 2


assign (resid  24 and name c )   (resid  25 and name n )
       (resid  25 and name ca)   (resid  25 and name c )  1.0 -60.0 10.0 2

assign (resid  25 and name n )   (resid  25 and name ca)
       (resid  25 and name c )   (resid  26 and name n )  1.0 -60.0 10.0 2


assign (resid  25 and name c )   (resid  26 and name n )
       (resid  26 and name ca)   (resid  26 and name c )  1.0 -60.0 10.0 2

assign (resid  26 and name n )   (resid  26 and name ca)
       (resid  26 and name c )   (resid  27 and name n )  1.0 -60.0 10.0 2



{*** beta strand 29 to 32 ***}
 
 
 
assign (resid 28 and name  o)   (resid 29 and name n)
       (resid 29 and name ca)   (resid 29 and name o) 1.0 -120.0 25.0 2
 
assign (resid 29 and name  n)   (resid 29 and name ca)
       (resid 29 and name  c)   (resid 30 and name n )  1.0  150.0 25.0 2



assign (resid 29 and name  o)   (resid 30 and name n)
       (resid 30 and name ca)   (resid 30 and name o) 1.0 -120.0 25.0 2
 
assign (resid 30 and name  n)   (resid 30 and name ca)
       (resid 30 and name  c)   (resid 31 and name n )  1.0  150.0 25.0 2


 
assign (resid 30 and name  o)   (resid 31 and name n)
       (resid 31 and name ca)   (resid 31 and name o) 1.0 -120.0 25.0 2

assign (resid 31 and name  n)   (resid 31 and name ca)
       (resid 31 and name  c)   (resid 32 and name n )  1.0  150.0 25.0 2


 
assign (resid 31 and name  o)   (resid 32 and name n)
       (resid 32 and name ca)   (resid 32 and name o) 1.0 -120.0 25.0 2
 
assign (resid 32 and name  n)   (resid 32 and name ca)
       (resid 32 and name  c)   (resid 33 and name n )  1.0  150.0 25.0 2




{*** beta strand 36 to 39 ***}

 
 
assign (resid 36 and name  o)   (resid 37 and name n)
       (resid 37 and name ca)   (resid 37 and name o) 1.0 -120.0 25.0 2
 
assign (resid 37 and name  n)   (resid 37 and name ca)
       (resid 37 and name  c)   (resid 38 and name n )  1.0  150.0 25.0 2
 
 
 
assign (resid 37 and name  o)   (resid 38 and name n)
       (resid 38 and name ca)   (resid 38 and name o) 1.0 -120.0 25.0 2
 
assign (resid 38 and name  n)   (resid 38 and name ca)
       (resid 38 and name  c)   (resid 39 and name n )  1.0  150.0 25.0 2



assign (resid 38 and name  o)   (resid 39 and name n)
       (resid 39 and name ca)   (resid 39 and name o) 1.0 -120.0 25.0 2
 
assign (resid 39 and name  n)   (resid 39 and name ca)
       (resid 39 and name  c)   (resid 40 and name n )  1.0  150.0 25.0 2




{*** alpha helix 43 to 50 ***}   


assign (resid  43 and name c )   (resid  44 and name n )
       (resid  44 and name ca)   (resid  44 and name c )  1.0 -60.0 10.0 2
 
assign (resid  44 and name n )   (resid  44 and name ca)
       (resid  44 and name c )   (resid  45 and name n )  1.0 -60.0 10.0 2


assign (resid  44 and name c )   (resid  45 and name n )
       (resid  45 and name ca)   (resid  45 and name c )  1.0 -60.0 10.0 2
 
assign (resid  45 and name n )   (resid  45 and name ca)
       (resid  45 and name c )   (resid  46 and name n )  1.0 -60.0 10.0 2


assign (resid  45 and name c )   (resid  46 and name n )
       (resid  46 and name ca)   (resid  46 and name c )  1.0 -60.0 10.0 2
 
assign (resid  46 and name n )   (resid  46 and name ca)
       (resid  46 and name c )   (resid  47 and name n )  1.0 -60.0 10.0 2


assign (resid  46 and name c )   (resid  47 and name n )
       (resid  47 and name ca)   (resid  47 and name c )  1.0 -60.0 10.0 2
 
assign (resid  47 and name n )   (resid  47 and name ca)
       (resid  47 and name c )   (resid  48 and name n )  1.0 -60.0 10.0 2


assign (resid  47 and name c )   (resid  48 and name n )
       (resid  48 and name ca)   (resid  48 and name c )  1.0 -60.0 10.0 2
 
assign (resid  48 and name n )   (resid  48 and name ca)
       (resid  48 and name c )   (resid  49 and name n )  1.0 -60.0 10.0 2


assign (resid  48 and name c )   (resid  49 and name n )
       (resid  49 and name ca)   (resid  49 and name c )  1.0 -60.0 10.0 2
 
assign (resid  49 and name n )   (resid  49 and name ca)
       (resid  49 and name c )   (resid  50 and name n )  1.0 -60.0 10.0 2


assign (resid  48 and name c )   (resid  49 and name n )
       (resid  49 and name ca)   (resid  49 and name c )  1.0 -60.0 10.0 2
 
assign (resid  49 and name n )   (resid  49 and name ca)
       (resid  49 and name c )   (resid  50 and name n )  1.0 -60.0 10.0 2


assign (resid  49 and name c )   (resid  50 and name n )
       (resid  50 and name ca)   (resid  50 and name c )  1.0 -60.0 10.0 2
 






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   2          HT1       THR   2   9.646   8.349   3.164
    2   2H    THR   2          HT2       THR   2  10.198   7.730   1.662
    3   3H    THR   2          HT3       THR   2   9.844   6.660   2.957
    4    HA   THR   2           HA       THR   2   7.551   7.303   2.876
    5    HB   THR   2           HB       THR   2   6.998   8.567   0.639
    6    HG1  THR   2           HG1      THR   2   9.589   9.571   1.189
    7   1HG2  THR   2          HG21      THR   2   8.212  10.435   2.582
    8   2HG2  THR   2          HG22      THR   2   6.920   9.381   3.160
    9   3HG2  THR   2          HG23      THR   2   6.630  10.469   1.804
   10    H    ASP   3           HN       ASP   3   9.553   6.925  -0.051
   11    HA   ASP   3           HA       ASP   3   7.790   4.821  -1.016
   12   1HB   ASP   3          HB2       ASP   3   9.173   6.753  -2.332
   13   2HB   ASP   3          HB1       ASP   3  10.285   5.397  -2.490
   14    H    VAL   4           HN       VAL   4   8.162   2.710  -0.787
   15    HA   VAL   4           HA       VAL   4  10.879   1.749  -0.345
   16    HB   VAL   4           HB       VAL   4   8.863   0.484   1.413
   17   1HG1  VAL   4          HG11      VAL   4  11.773   0.966   1.324
   18   2HG1  VAL   4          HG12      VAL   4  10.872  -0.470   1.810
   19   3HG1  VAL   4          HG13      VAL   4  11.039   0.885   2.925
   20   1HG2  VAL   4          HG21      VAL   4  10.023   3.188   2.088
   21   2HG2  VAL   4          HG22      VAL   4   9.099   2.156   3.179
   22   3HG2  VAL   4          HG23      VAL   4   8.326   2.848   1.753
   23    H    THR   5           HN       THR   5  10.713  -0.815  -0.207
   24    HA   THR   5           HA       THR   5   9.209  -1.542  -2.581
   25    HB   THR   5           HB       THR   5  10.622  -3.317  -2.858
   26    HG1  THR   5           HG1      THR   5  11.655  -4.379  -1.111
   27   1HG2  THR   5          HG21      THR   5  12.882  -2.764  -2.313
   28   2HG2  THR   5          HG22      THR   5  12.355  -1.664  -1.039
   29   3HG2  THR   5          HG23      THR   5  12.022  -1.282  -2.728
   30    H    ILE   6           HN       ILE   6   7.364  -2.512  -2.579
   31    HA   ILE   6           HA       ILE   6   5.818  -3.024  -0.339
   32    HB   ILE   6           HB       ILE   6   4.969  -2.811  -2.706
   33   1HG1  ILE   6          HG12      ILE   6   3.780  -3.647  -0.545
   34   2HG1  ILE   6          HG11      ILE   6   2.970  -3.806  -2.098
   35   1HG2  ILE   6          HG21      ILE   6   5.908  -5.652  -2.823
   36   2HG2  ILE   6          HG22      ILE   6   6.188  -4.339  -3.965
   37   3HG2  ILE   6          HG23      ILE   6   4.587  -5.062  -3.831
   38   1HD1  ILE   6          HD11      ILE   6   4.554  -6.135  -1.507
   39   2HD1  ILE   6          HD12      ILE   6   2.836  -5.999  -1.855
   40   3HD1  ILE   6          HD13      ILE   6   3.417  -5.786  -0.211
   41    H    LYS   7           HN       LYS   7   5.041  -4.862   0.625
   42    HA   LYS   7           HA       LYS   7   5.039  -7.125   1.227
   43   1HB   LYS   7          HB2       LYS   7   6.532  -7.520  -0.918
   44   2HB   LYS   7          HB1       LYS   7   7.842  -7.563   0.252
   45   1HG   LYS   7          HG2       LYS   7   5.401  -9.263   0.591
   46   2HG   LYS   7          HG1       LYS   7   6.737  -9.770  -0.444
   47   1HD   LYS   7          HD2       LYS   7   8.091 -10.211   1.306
   48   2HD   LYS   7          HD1       LYS   7   7.512  -8.826   2.234
   49   1HE   LYS   7          HE2       LYS   7   6.854 -10.788   3.409
   50   2HE   LYS   7          HE1       LYS   7   5.406 -10.112   2.666
   51   1HZ   LYS   7          HZ1       LYS   7   5.811 -12.617   2.482
   52   2HZ   LYS   7          HZ2       LYS   7   6.959 -12.219   1.305
   53   3HZ   LYS   7          HZ3       LYS   7   5.339 -11.787   1.085
   54    H    THR   8           HN       THR   8   8.374  -5.803   1.314
   55    HA   THR   8           HA       THR   8   8.825  -6.532   4.017
   56    HB   THR   8           HB       THR   8  10.072  -4.158   2.610
   57    HG1  THR   8           HG1      THR   8  10.413  -5.780   1.193
   58   1HG2  THR   8          HG21      THR   8  10.687  -5.661   5.031
   59   2HG2  THR   8          HG22      THR   8  11.189  -4.046   4.532
   60   3HG2  THR   8          HG23      THR   8  12.058  -5.462   3.939
   61    H    LEU   9           HN       LEU   9   7.744  -3.630   2.376
   62    HA   LEU   9           HA       LEU   9   7.132  -2.140   4.737
   63   1HB   LEU   9          HB2       LEU   9   7.393  -1.505   2.072
   64   2HB   LEU   9          HB1       LEU   9   5.654  -1.446   2.294
   65    HG   LEU   9           HG       LEU   9   7.740   0.187   3.737
   66   1HD1  LEU   9          HD11      LEU   9   7.045   0.917   1.473
   67   2HD1  LEU   9          HD12      LEU   9   6.637   2.068   2.741
   68   3HD1  LEU   9          HD13      LEU   9   5.386   1.031   2.057
   69   1HD2  LEU   9          HD21      LEU   9   5.885  -0.660   5.236
   70   2HD2  LEU   9          HD22      LEU   9   4.776   0.283   4.238
   71   3HD2  LEU   9          HD23      LEU   9   6.063   1.092   5.132
   72    H    ALA  10           HN       ALA  10   5.319  -4.027   2.354
   73    HA   ALA  10           HA       ALA  10   2.733  -3.735   3.167
   74   1HB   ALA  10          HB1       ALA  10   2.695  -6.350   2.640
   75   2HB   ALA  10          HB2       ALA  10   4.251  -5.928   1.955
   76   3HB   ALA  10          HB3       ALA  10   2.802  -5.115   1.388
   77    H    ALA  11           HN       ALA  11   5.124  -6.022   4.413
   78    HA   ALA  11           HA       ALA  11   3.573  -7.175   6.443
   79   1HB   ALA  11          HB1       ALA  11   6.565  -6.786   6.279
   80   2HB   ALA  11          HB2       ALA  11   5.654  -8.190   5.725
   81   3HB   ALA  11          HB3       ALA  11   5.744  -7.820   7.447
   82    H    GLU  12           HN       GLU  12   5.852  -4.455   6.456
   83    HA   GLU  12           HA       GLU  12   6.032  -3.634   8.983
   84   1HB   GLU  12          HB2       GLU  12   6.434  -2.404   6.589
   85   2HB   GLU  12          HB1       GLU  12   5.120  -1.435   7.242
   86   1HG   GLU  12          HG2       GLU  12   7.390  -2.012   9.047
   87   2HG   GLU  12          HG1       GLU  12   7.684  -0.905   7.707
   88    H    ARG  13           HN       ARG  13   3.320  -2.243   7.042
   89    HA   ARG  13           HA       ARG  13   1.878  -1.681   9.434
   90   1HB   ARG  13          HB2       ARG  13   1.160  -1.568   6.532
   91   2HB   ARG  13          HB1       ARG  13  -0.028  -1.250   7.786
   92   1HG   ARG  13          HG2       ARG  13   2.570   0.236   7.699
   93   2HG   ARG  13          HG1       ARG  13   1.183   0.745   6.735
   94   1HD   ARG  13          HD2       ARG  13   0.810   1.979   8.618
   95   2HD   ARG  13          HD1       ARG  13  -0.064   0.511   9.050
   96    HE   ARG  13           HE       ARG  13   1.482   0.111  10.692
   97   1HH1  ARG  13          HH11      ARG  13   2.736   2.539   8.521
   98   2HH1  ARG  13          HH12      ARG  13   4.103   2.904   9.519
   99   1HH2  ARG  13          HH21      ARG  13   3.280   0.590  12.006
  100   2HH2  ARG  13          HH22      ARG  13   4.413   1.798  11.497
  101    H    GLN  14           HN       GLN  14   1.563  -3.987   6.885
  102    HA   GLN  14           HA       GLN  14   0.884  -6.187   6.918
  103   1HB   GLN  14          HB2       GLN  14   1.297  -5.823   9.567
  104   2HB   GLN  14          HB1       GLN  14  -0.444  -6.074   9.559
  105   1HG   GLN  14          HG2       GLN  14  -0.211  -8.256   9.263
  106   2HG   GLN  14          HG1       GLN  14   0.889  -8.021   7.905
  107   1HE2  GLN  14          HE21      GLN  14   2.282  -9.644   8.462
  108   2HE2  GLN  14          HE22      GLN  14   3.301  -9.583   9.856
  109    H    THR  15           HN       THR  15  -1.318  -3.936   8.543
  110    HA   THR  15           HA       THR  15  -3.491  -4.970   6.849
  111    HB   THR  15           HB       THR  15  -4.932  -3.796   8.685
  112    HG1  THR  15           HG1      THR  15  -2.525  -4.287  10.100
  113   1HG2  THR  15          HG21      THR  15  -3.681  -6.147   9.916
  114   2HG2  THR  15          HG22      THR  15  -4.313  -6.385   8.287
  115   3HG2  THR  15          HG23      THR  15  -5.376  -5.805   9.568
  116    H    SER  16           HN       SER  16  -1.381  -2.696   6.557
  117    HA   SER  16           HA       SER  16  -3.350  -0.715   5.668
  118   1HB   SER  16          HB2       SER  16  -0.742   0.311   6.676
  119   2HB   SER  16          HB1       SER  16  -2.329   1.070   6.676
  120    HG   SER  16           HG       SER  16  -2.731   0.222   8.561
  121    H    VAL  17           HN       VAL  17   0.196  -0.355   5.426
  122    HA   VAL  17           HA       VAL  17   0.087   0.373   2.840
  123    HB   VAL  17           HB       VAL  17   2.008   0.931   4.003
  124   1HG1  VAL  17          HG11      VAL  17   3.596  -1.296   4.341
  125   2HG1  VAL  17          HG12      VAL  17   1.994  -1.880   4.786
  126   3HG1  VAL  17          HG13      VAL  17   2.681  -0.479   5.605
  127   1HG2  VAL  17          HG21      VAL  17   2.129  -0.152   1.486
  128   2HG2  VAL  17          HG22      VAL  17   3.438  -0.987   2.322
  129   3HG2  VAL  17          HG23      VAL  17   3.409   0.775   2.268
  130    H    GLU  18           HN       GLU  18   0.773  -3.072   3.834
  131    HA   GLU  18           HA       GLU  18   1.238  -4.041   1.287
  132   1HB   GLU  18          HB2       GLU  18   1.200  -5.405   3.415
  133   2HB   GLU  18          HB1       GLU  18  -0.552  -5.402   3.315
  134   1HG   GLU  18          HG2       GLU  18  -0.488  -6.614   1.237
  135   2HG   GLU  18          HG1       GLU  18   1.272  -6.535   1.208
  136    H    ARG  19           HN       ARG  19  -1.902  -3.729   2.863
  137    HA   ARG  19           HA       ARG  19  -3.518  -4.380   0.708
  138   1HB   ARG  19          HB2       ARG  19  -3.866  -3.021   3.285
  139   2HB   ARG  19          HB1       ARG  19  -5.034  -2.559   2.055
  140   1HG   ARG  19          HG2       ARG  19  -6.184  -4.316   2.824
  141   2HG   ARG  19          HG1       ARG  19  -5.084  -5.252   1.809
  142   1HD   ARG  19          HD2       ARG  19  -4.095  -6.195   3.576
  143   2HD   ARG  19          HD1       ARG  19  -3.964  -4.656   4.427
  144    HE   ARG  19           HE       ARG  19  -5.749  -5.302   5.673
  145   1HH1  ARG  19          HH11      ARG  19  -5.924  -6.966   2.610
  146   2HH1  ARG  19          HH12      ARG  19  -7.339  -7.868   3.040
  147   1HH2  ARG  19          HH21      ARG  19  -7.610  -6.487   6.238
  148   2HH2  ARG  19          HH22      ARG  19  -8.297  -7.596   5.099
  149    H    LEU  20           HN       LEU  20  -2.243  -1.365   1.775
  150    HA   LEU  20           HA       LEU  20  -3.529   0.364   0.044
  151   1HB   LEU  20          HB2       LEU  20  -2.202   2.005   0.838
  152   2HB   LEU  20          HB1       LEU  20  -1.914   0.795   2.060
  153    HG   LEU  20           HG       LEU  20   0.256   0.238   0.974
  154   1HD1  LEU  20          HD11      LEU  20   0.564   0.865  -1.157
  155   2HD1  LEU  20          HD12      LEU  20   0.755   2.511  -0.563
  156   3HD1  LEU  20          HD13      LEU  20  -0.822   1.953  -1.110
  157   1HD2  LEU  20          HD21      LEU  20  -0.339   2.231   2.671
  158   2HD2  LEU  20          HD22      LEU  20   0.412   3.141   1.369
  159   3HD2  LEU  20          HD23      LEU  20   1.297   1.839   2.148
  160    H    VAL  21           HN       VAL  21  -0.466  -1.289  -0.474
  161    HA   VAL  21           HA       VAL  21   0.202  -0.184  -2.911
  162    HB   VAL  21           HB       VAL  21   0.844  -3.040  -2.746
  163   1HG1  VAL  21          HG11      VAL  21   3.166  -2.000  -2.896
  164   2HG1  VAL  21          HG12      VAL  21   2.332  -0.454  -3.052
  165   3HG1  VAL  21          HG13      VAL  21   2.071  -1.718  -4.245
  166   1HG2  VAL  21          HG21      VAL  21   2.547  -2.413  -0.864
  167   2HG2  VAL  21          HG22      VAL  21   0.929  -2.944  -0.442
  168   3HG2  VAL  21          HG23      VAL  21   1.331  -1.228  -0.427
  169    H    GLN  22           HN       GLN  22  -1.742  -3.129  -2.303
  170    HA   GLN  22           HA       GLN  22  -2.143  -3.778  -4.986
  171   1HB   GLN  22          HB2       GLN  22  -3.930  -4.230  -2.607
  172   2HB   GLN  22          HB1       GLN  22  -4.248  -4.918  -4.194
  173   1HG   GLN  22          HG2       GLN  22  -1.982  -6.000  -4.055
  174   2HG   GLN  22          HG1       GLN  22  -1.931  -5.483  -2.370
  175   1HE2  GLN  22          HE21      GLN  22  -4.187  -7.087  -4.597
  176   2HE2  GLN  22          HE22      GLN  22  -4.679  -8.315  -3.486
  177    H    GLN  23           HN       GLN  23  -4.653  -2.247  -3.005
  178    HA   GLN  23           HA       GLN  23  -6.335  -1.559  -5.062
  179   1HB   GLN  23          HB2       GLN  23  -5.748  -0.165  -2.459
  180   2HB   GLN  23          HB1       GLN  23  -6.998   0.403  -3.551
  181   1HG   GLN  23          HG2       GLN  23  -6.987  -2.442  -2.658
  182   2HG   GLN  23          HG1       GLN  23  -7.606  -1.181  -1.592
  183   1HE2  GLN  23          HE21      GLN  23  -8.289  -3.243  -4.164
  184   2HE2  GLN  23          HE22      GLN  23  -9.828  -2.595  -4.605
  185    H    PHE  24           HN       PHE  24  -3.689   0.377  -3.726
  186    HA   PHE  24           HA       PHE  24  -3.994   2.558  -5.344
  187   1HB   PHE  24          HB2       PHE  24  -1.809   1.614  -3.653
  188   2HB   PHE  24          HB1       PHE  24  -1.364   2.746  -4.937
  189    HD1  PHE  24           HD1      PHE  24  -3.027   4.709  -5.297
  190    HD2  PHE  24           HD2      PHE  24  -2.649   2.517  -1.685
  191    HE1  PHE  24           HE1      PHE  24  -4.176   6.517  -4.102
  192    HE2  PHE  24           HE2      PHE  24  -3.781   4.327  -0.489
  193    HZ   PHE  24           HZ       PHE  24  -4.566   6.307  -1.688
  194    H    ALA  25           HN       ALA  25  -2.133  -0.343  -6.115
  195    HA   ALA  25           HA       ALA  25  -0.891   0.486  -8.422
  196   1HB   ALA  25          HB1       ALA  25  -1.229  -1.808  -9.291
  197   2HB   ALA  25          HB2       ALA  25  -2.401  -2.109  -8.007
  198   3HB   ALA  25          HB3       ALA  25  -0.709  -1.820  -7.607
  199    H    ASP  26           HN       ASP  26  -4.218  -0.536  -7.851
  200    HA   ASP  26           HA       ASP  26  -5.217   0.044 -10.450
  201   1HB   ASP  26          HB2       ASP  26  -6.316  -1.237  -8.419
  202   2HB   ASP  26          HB1       ASP  26  -6.915   0.365  -7.996
  203    H    ALA  27           HN       ALA  27  -5.112   1.909  -7.412
  204    HA   ALA  27           HA       ALA  27  -6.339   4.263  -8.199
  205   1HB   ALA  27          HB1       ALA  27  -4.694   3.454  -6.026
  206   2HB   ALA  27          HB2       ALA  27  -5.957   4.672  -6.090
  207   3HB   ALA  27          HB3       ALA  27  -4.303   5.092  -6.525
  208    H    GLY  28           HN       GLY  28  -2.841   4.158  -7.693
  209   1HA   GLY  28          HA2       GLY  28  -1.874   4.776 -10.215
  210   2HA   GLY  28          HA1       GLY  28  -2.292   6.315  -9.470
  211    H    ILE  29           HN       ILE  29  -0.988   3.365  -8.063
  212    HA   ILE  29           HA       ILE  29   1.562   4.646  -7.451
  213    HB   ILE  29           HB       ILE  29   0.293   3.115  -5.230
  214   1HG1  ILE  29          HG12      ILE  29  -1.387   4.827  -5.988
  215   2HG1  ILE  29          HG11      ILE  29  -0.818   5.043  -4.336
  216   1HG2  ILE  29          HG21      ILE  29   2.546   4.926  -5.642
  217   2HG2  ILE  29          HG22      ILE  29   2.312   3.659  -4.437
  218   3HG2  ILE  29          HG23      ILE  29   1.618   5.259  -4.180
  219   1HD1  ILE  29          HD11      ILE  29  -0.944   6.980  -6.264
  220   2HD1  ILE  29          HD12      ILE  29   0.758   6.517  -6.283
  221   3HD1  ILE  29          HD13      ILE  29   0.007   7.058  -4.781
  222    H    ARG  30           HN       ARG  30   2.879   2.769  -6.094
  223    HA   ARG  30           HA       ARG  30   3.168   0.712  -8.056
  224   1HB   ARG  30          HB2       ARG  30   4.466   0.789  -5.332
  225   2HB   ARG  30          HB1       ARG  30   5.058  -0.001  -6.787
  226   1HG   ARG  30          HG2       ARG  30   6.250   1.811  -7.232
  227   2HG   ARG  30          HG1       ARG  30   4.746   2.701  -7.458
  228   1HD   ARG  30          HD2       ARG  30   4.706   3.240  -5.072
  229   2HD   ARG  30          HD1       ARG  30   6.208   2.346  -4.844
  230    HE   ARG  30           HE       ARG  30   7.334   4.184  -5.576
  231   1HH1  ARG  30          HH11      ARG  30   4.059   4.377  -6.766
  232   2HH1  ARG  30          HH12      ARG  30   4.275   5.943  -7.472
  233   1HH2  ARG  30          HH21      ARG  30   7.618   6.245  -6.501
  234   2HH2  ARG  30          HH22      ARG  30   6.294   7.004  -7.321
  235    H    LYS  31           HN       LYS  31   2.847  -1.481  -7.827
  236    HA   LYS  31           HA       LYS  31   0.575  -2.191  -6.193
  237   1HB   LYS  31          HB2       LYS  31   1.858  -4.218  -7.935
  238   2HB   LYS  31          HB1       LYS  31   0.156  -3.856  -7.691
  239   1HG   LYS  31          HG2       LYS  31   0.280  -2.997  -9.751
  240   2HG   LYS  31          HG1       LYS  31   0.986  -1.598  -8.939
  241   1HD   LYS  31          HD2       LYS  31   2.769  -1.878 -10.250
  242   2HD   LYS  31          HD1       LYS  31   3.127  -3.327  -9.310
  243   1HE   LYS  31          HE2       LYS  31   1.470  -3.195 -11.827
  244   2HE   LYS  31          HE1       LYS  31   3.112  -3.822 -11.694
  245   1HZ   LYS  31          HZ1       LYS  31   1.256  -5.042  -9.863
  246   2HZ   LYS  31          HZ2       LYS  31   2.379  -5.761 -10.906
  247   3HZ   LYS  31          HZ3       LYS  31   0.860  -5.297 -11.489
  248    H    SER  32           HN       SER  32   0.409  -4.374  -5.286
  249    HA   SER  32           HA       SER  32   2.624  -4.838  -3.470
  250   1HB   SER  32          HB2       SER  32  -0.241  -5.046  -3.329
  251   2HB   SER  32          HB1       SER  32   0.495  -6.571  -2.841
  252    HG   SER  32           HG       SER  32   0.187  -4.890  -1.168
  253    H    ALA  33           HN       ALA  33   2.767  -7.221  -2.730
  254    HA   ALA  33           HA       ALA  33   2.997  -9.481  -3.204
  255   1HB   ALA  33          HB1       ALA  33   2.623 -10.427  -5.285
  256   2HB   ALA  33          HB2       ALA  33   3.088  -8.962  -6.151
  257   3HB   ALA  33          HB3       ALA  33   1.539  -9.036  -5.310
  258    H    ASP  34           HN       ASP  34   4.930  -7.619  -2.521
  259    HA   ASP  34           HA       ASP  34   7.205  -7.349  -2.500
  260   1HB   ASP  34          HB2       ASP  34   6.987  -9.937  -2.551
  261   2HB   ASP  34          HB1       ASP  34   7.496  -9.792  -4.231
  262    H    ASP  35           HN       ASP  35   7.695  -5.578  -3.601
  263    HA   ASP  35           HA       ASP  35   9.084  -5.493  -5.945
  264   1HB   ASP  35          HB2       ASP  35   7.133  -6.384  -7.138
  265   2HB   ASP  35          HB1       ASP  35   6.139  -5.062  -6.537
  266    H    SER  36           HN       SER  36   6.545  -3.166  -6.295
  267    HA   SER  36           HA       SER  36   8.104  -1.311  -4.613
  268   1HB   SER  36          HB2       SER  36   7.079   0.443  -6.294
  269   2HB   SER  36          HB1       SER  36   8.534  -0.454  -6.712
  270    HG   SER  36           HG       SER  36   6.060  -1.569  -7.388
  271    H    VAL  37           HN       VAL  37   7.052  -0.032  -3.202
  272    HA   VAL  37           HA       VAL  37   4.116   0.086  -3.203
  273    HB   VAL  37           HB       VAL  37   4.769  -1.710  -1.648
  274   1HG1  VAL  37          HG11      VAL  37   6.095  -1.282   0.309
  275   2HG1  VAL  37          HG12      VAL  37   6.214   0.426  -0.110
  276   3HG1  VAL  37          HG13      VAL  37   7.004  -0.781  -1.114
  277   1HG2  VAL  37          HG21      VAL  37   3.881   0.618   0.009
  278   2HG2  VAL  37          HG22      VAL  37   3.438  -1.079   0.168
  279   3HG2  VAL  37          HG23      VAL  37   2.827  -0.132  -1.187
  280    H    SER  38           HN       SER  38   3.272   1.663  -1.607
  281    HA   SER  38           HA       SER  38   5.121   3.887  -1.108
  282   1HB   SER  38          HB2       SER  38   2.448   3.870  -2.407
  283   2HB   SER  38          HB1       SER  38   2.754   5.177  -1.264
  284    HG   SER  38           HG       SER  38   4.604   5.715  -2.476
  285    H    ALA  39           HN       ALA  39   5.265   4.289   1.061
  286    HA   ALA  39           HA       ALA  39   3.527   2.967   2.910
  287   1HB   ALA  39          HB1       ALA  39   5.145   4.693   4.368
  288   2HB   ALA  39          HB2       ALA  39   6.132   4.218   2.986
  289   3HB   ALA  39          HB3       ALA  39   5.443   2.986   4.042
  290    H    GLN  40           HN       GLN  40   2.164   3.910   4.412
  291    HA   GLN  40           HA       GLN  40   0.694   5.414   5.279
  292   1HB   GLN  40          HB2       GLN  40   2.952   7.043   4.543
  293   2HB   GLN  40          HB1       GLN  40   1.463   7.918   4.213
  294   1HG   GLN  40          HG2       GLN  40   1.229   6.688   6.762
  295   2HG   GLN  40          HG1       GLN  40   2.775   7.533   6.687
  296   1HE2  GLN  40          HE21      GLN  40   0.683   8.279   8.376
  297   2HE2  GLN  40          HE22      GLN  40   0.104   9.830   7.883
  298    H    GLU  41           HN       GLU  41   0.996   4.606   2.191
  299    HA   GLU  41           HA       GLU  41  -0.936   6.409   1.064
  300   1HB   GLU  41          HB2       GLU  41   0.838   4.377   0.063
  301   2HB   GLU  41          HB1       GLU  41  -0.796   4.060  -0.505
  302   1HG   GLU  41          HG2       GLU  41   0.687   6.661  -0.819
  303   2HG   GLU  41          HG1       GLU  41   0.507   5.428  -2.066
  304    H    LYS  42           HN       LYS  42  -1.048   3.942   3.282
  305    HA   LYS  42           HA       LYS  42  -3.003   2.200   2.870
  306   1HB   LYS  42          HB2       LYS  42  -3.831   2.684   5.226
  307   2HB   LYS  42          HB1       LYS  42  -2.117   2.337   5.045
  308   1HG   LYS  42          HG2       LYS  42  -1.495   4.389   5.710
  309   2HG   LYS  42          HG1       LYS  42  -2.838   5.180   4.882
  310   1HD   LYS  42          HD2       LYS  42  -4.206   5.044   6.688
  311   2HD   LYS  42          HD1       LYS  42  -3.532   3.503   7.217
  312   1HE   LYS  42          HE2       LYS  42  -2.164   4.514   8.653
  313   2HE   LYS  42          HE1       LYS  42  -1.567   5.607   7.405
  314   1HZ   LYS  42          HZ1       LYS  42  -2.531   7.031   8.919
  315   2HZ   LYS  42          HZ2       LYS  42  -3.810   5.982   9.276
  316   3HZ   LYS  42          HZ3       LYS  42  -3.789   6.820   7.808
  317    H    GLN  43           HN       GLN  43  -3.545   5.642   2.791
  318    HA   GLN  43           HA       GLN  43  -6.236   5.904   3.239
  319   1HB   GLN  43          HB2       GLN  43  -4.198   7.418   1.959
  320   2HB   GLN  43          HB1       GLN  43  -5.603   7.426   0.904
  321   1HG   GLN  43          HG2       GLN  43  -6.291   9.139   2.144
  322   2HG   GLN  43          HG1       GLN  43  -6.729   7.917   3.336
  323   1HE2  GLN  43          HE21      GLN  43  -6.311   8.907   5.207
  324   2HE2  GLN  43          HE22      GLN  43  -4.781   9.565   5.662
  325    H    THR  44           HN       THR  44  -4.776   3.977   0.838
  326    HA   THR  44           HA       THR  44  -6.391   4.033  -1.343
  327    HB   THR  44           HB       THR  44  -4.416   2.391  -0.435
  328    HG1  THR  44           HG1      THR  44  -4.554   1.464  -2.414
  329   1HG2  THR  44          HG21      THR  44  -5.245   0.075  -0.594
  330   2HG2  THR  44          HG22      THR  44  -6.895   0.684  -0.518
  331   3HG2  THR  44          HG23      THR  44  -5.806   0.916   0.850
  332    H    LEU  45           HN       LEU  45  -7.020   2.225   1.663
  333    HA   LEU  45           HA       LEU  45  -9.340   0.935   0.978
  334   1HB   LEU  45          HB2       LEU  45  -8.800   2.256   3.637
  335   2HB   LEU  45          HB1       LEU  45  -9.909   0.931   3.342
  336    HG   LEU  45           HG       LEU  45  -6.922   0.744   2.935
  337   1HD1  LEU  45          HD11      LEU  45  -7.129   1.026   5.237
  338   2HD1  LEU  45          HD12      LEU  45  -7.139  -0.725   5.028
  339   3HD1  LEU  45          HD13      LEU  45  -8.651   0.139   5.307
  340   1HD2  LEU  45          HD21      LEU  45  -9.217  -1.096   2.579
  341   2HD2  LEU  45          HD22      LEU  45  -7.739  -1.767   3.266
  342   3HD2  LEU  45          HD23      LEU  45  -7.701  -0.986   1.685
  343    H    ILE  46           HN       ILE  46  -9.087   4.229   2.320
  344    HA   ILE  46           HA       ILE  46 -11.879   4.737   2.206
  345    HB   ILE  46           HB       ILE  46  -9.658   6.777   2.285
  346   1HG1  ILE  46          HG12      ILE  46 -11.119   5.626   4.658
  347   2HG1  ILE  46          HG11      ILE  46  -9.607   4.942   4.073
  348   1HG2  ILE  46          HG21      ILE  46 -12.593   6.881   2.569
  349   2HG2  ILE  46          HG22      ILE  46 -11.462   8.106   1.995
  350   3HG2  ILE  46          HG23      ILE  46 -11.662   7.832   3.725
  351   1HD1  ILE  46          HD11      ILE  46  -8.437   6.478   5.146
  352   2HD1  ILE  46          HD12      ILE  46  -9.942   7.031   5.883
  353   3HD1  ILE  46          HD13      ILE  46  -9.358   7.781   4.397
  354    H    ASP  47           HN       ASP  47  -9.250   6.192   0.271
  355    HA   ASP  47           HA       ASP  47 -10.765   7.594  -1.531
  356   1HB   ASP  47          HB2       ASP  47  -8.048   6.429  -1.561
  357   2HB   ASP  47          HB1       ASP  47  -8.717   6.856  -3.134
  358    H    HIS  48           HN       HIS  48  -9.353   4.411  -2.289
  359    HA   HIS  48           HA       HIS  48 -10.638   3.937  -4.667
  360   1HB   HIS  48          HB2       HIS  48  -9.792   2.002  -2.511
  361   2HB   HIS  48          HB1       HIS  48 -10.396   1.477  -4.078
  362    HD1  HIS  48           HD1      HIS  48  -7.619   3.726  -2.752
  363    HD2  HIS  48           HD2      HIS  48  -8.398   1.105  -5.882
  364    HE1  HIS  48           HE1      HIS  48  -5.466   3.555  -4.059
  365    HE2  HIS  48           HE2      HIS  48  -6.043   2.118  -6.030
  366    H    LEU  49           HN       LEU  49 -11.783   3.029  -1.415
  367    HA   LEU  49           HA       LEU  49 -14.136   1.760  -2.139
  368   1HB   LEU  49          HB2       LEU  49 -13.184   3.180   0.273
  369   2HB   LEU  49          HB1       LEU  49 -14.917   2.963   0.144
  370    HG   LEU  49           HG       LEU  49 -14.708   0.582   0.098
  371   1HD1  LEU  49          HD11      LEU  49 -12.052  -0.035   0.556
  372   2HD1  LEU  49          HD12      LEU  49 -11.991   1.174  -0.725
  373   3HD1  LEU  49          HD13      LEU  49 -12.946  -0.292  -0.943
  374   1HD2  LEU  49          HD21      LEU  49 -13.926   0.170   2.275
  375   2HD2  LEU  49          HD22      LEU  49 -14.475   1.846   2.290
  376   3HD2  LEU  49          HD23      LEU  49 -12.752   1.483   2.192
  377    H    ASN  50           HN       ASN  50 -14.066   5.095  -0.886
  378    HA   ASN  50           HA       ASN  50 -16.621   5.744  -1.884
  379   1HB   ASN  50          HB2       ASN  50 -14.422   7.712  -1.238
  380   2HB   ASN  50          HB1       ASN  50 -16.160   7.989  -1.185
  381   1HD2  ASN  50          HD21      ASN  50 -17.366   7.124   0.513
  382   2HD2  ASN  50          HD22      ASN  50 -16.624   6.594   1.980
  Start of MODEL    2
    1   1H    THR   2          HT1       THR   2   5.941   8.063   3.332
    2   2H    THR   2          HT2       THR   2   5.456   8.744   1.832
    3   3H    THR   2          HT3       THR   2   6.408   9.661   2.928
    4    HA   THR   2           HA       THR   2   7.813   8.936   1.243
    5    HB   THR   2           HB       THR   2   8.657   8.850   3.549
    6    HG1  THR   2           HG1      THR   2  10.374   7.465   3.130
    7   1HG2  THR   2          HG21      THR   2   8.901   6.513   4.551
    8   2HG2  THR   2          HG22      THR   2   7.548   6.073   3.509
    9   3HG2  THR   2          HG23      THR   2   7.351   7.334   4.727
   10    H    ASP   3           HN       ASP   3   8.641   7.316  -0.125
   11    HA   ASP   3           HA       ASP   3   6.787   5.081  -0.538
   12   1HB   ASP   3          HB2       ASP   3   8.696   6.545  -2.339
   13   2HB   ASP   3          HB1       ASP   3   8.102   4.946  -2.774
   14    H    VAL   4           HN       VAL   4   7.407   2.994  -0.387
   15    HA   VAL   4           HA       VAL   4  10.259   2.368  -0.158
   16    HB   VAL   4           HB       VAL   4   8.324   1.146   1.789
   17   1HG1  VAL   4          HG11      VAL   4  10.197  -0.117   1.946
   18   2HG1  VAL   4          HG12      VAL   4  10.693   1.182   3.030
   19   3HG1  VAL   4          HG13      VAL   4  11.247   1.171   1.355
   20   1HG2  VAL   4          HG21      VAL   4   8.060   3.297   2.533
   21   2HG2  VAL   4          HG22      VAL   4   9.638   3.813   1.941
   22   3HG2  VAL   4          HG23      VAL   4   9.521   2.845   3.411
   23    H    THR   5           HN       THR   5  10.564  -0.094  -0.189
   24    HA   THR   5           HA       THR   5   9.094  -1.084  -2.427
   25    HB   THR   5           HB       THR   5  10.455  -3.167  -2.050
   26    HG1  THR   5           HG1      THR   5  10.727  -2.989   0.191
   27   1HG2  THR   5          HG21      THR   5  12.138  -2.291  -3.195
   28   2HG2  THR   5          HG22      THR   5  12.565  -1.190  -1.884
   29   3HG2  THR   5          HG23      THR   5  11.304  -0.745  -3.035
   30    H    ILE   6           HN       ILE   6   7.326  -2.145  -2.478
   31    HA   ILE   6           HA       ILE   6   5.666  -2.728  -0.350
   32    HB   ILE   6           HB       ILE   6   4.460  -2.826  -2.294
   33   1HG1  ILE   6          HG12      ILE   6   4.046  -5.282  -2.949
   34   2HG1  ILE   6          HG11      ILE   6   5.212  -5.690  -1.713
   35   1HG2  ILE   6          HG21      ILE   6   5.491  -4.411  -4.223
   36   2HG2  ILE   6          HG22      ILE   6   6.959  -3.837  -3.439
   37   3HG2  ILE   6          HG23      ILE   6   5.805  -2.681  -4.090
   38   1HD1  ILE   6          HD11      ILE   6   3.363  -5.849  -0.450
   39   2HD1  ILE   6          HD12      ILE   6   2.443  -4.734  -1.459
   40   3HD1  ILE   6          HD13      ILE   6   3.596  -4.110  -0.283
   41    H    LYS   7           HN       LYS   7   5.092  -4.548   0.680
   42    HA   LYS   7           HA       LYS   7   5.179  -6.767   1.374
   43   1HB   LYS   7          HB2       LYS   7   6.580  -7.347  -0.663
   44   2HB   LYS   7          HB1       LYS   7   7.999  -6.959   0.296
   45   1HG   LYS   7          HG2       LYS   7   8.007  -9.067   0.972
   46   2HG   LYS   7          HG1       LYS   7   6.540  -8.709   1.886
   47   1HD   LYS   7          HD2       LYS   7   6.470  -9.505  -1.012
   48   2HD   LYS   7          HD1       LYS   7   6.460 -10.696   0.290
   49   1HE   LYS   7          HE2       LYS   7   4.488  -9.299   1.221
   50   2HE   LYS   7          HE1       LYS   7   4.396  -8.643  -0.413
   51   1HZ   LYS   7          HZ1       LYS   7   2.950 -10.617   0.051
   52   2HZ   LYS   7          HZ2       LYS   7   4.357 -11.551   0.155
   53   3HZ   LYS   7          HZ3       LYS   7   3.964 -10.772  -1.295
   54    H    THR   8           HN       THR   8   8.613  -5.720   1.630
   55    HA   THR   8           HA       THR   8   8.884  -6.281   4.334
   56    HB   THR   8           HB       THR   8  10.165  -3.751   3.494
   57    HG1  THR   8           HG1      THR   8  10.537  -6.139   2.021
   58   1HG2  THR   8          HG21      THR   8  10.770  -5.818   5.242
   59   2HG2  THR   8          HG22      THR   8  11.799  -4.454   4.806
   60   3HG2  THR   8          HG23      THR   8  11.934  -5.978   3.928
   61    H    LEU   9           HN       LEU   9   7.724  -3.458   2.658
   62    HA   LEU   9           HA       LEU   9   6.934  -1.979   4.967
   63   1HB   LEU   9          HB2       LEU   9   7.184  -1.484   2.209
   64   2HB   LEU   9          HB1       LEU   9   5.484  -1.270   2.577
   65    HG   LEU   9           HG       LEU   9   6.661   0.849   2.739
   66   1HD1  LEU   9          HD11      LEU   9   6.138   1.372   5.161
   67   2HD1  LEU   9          HD12      LEU   9   5.690  -0.326   5.327
   68   3HD1  LEU   9          HD13      LEU   9   4.818   0.711   4.196
   69   1HD2  LEU   9          HD21      LEU   9   8.234  -0.186   5.063
   70   2HD2  LEU   9          HD22      LEU   9   8.520   1.239   4.065
   71   3HD2  LEU   9          HD23      LEU   9   8.845  -0.369   3.419
   72    H    ALA  10           HN       ALA  10   5.313  -3.992   2.530
   73    HA   ALA  10           HA       ALA  10   2.685  -3.778   3.227
   74   1HB   ALA  10          HB1       ALA  10   3.833  -6.484   2.693
   75   2HB   ALA  10          HB2       ALA  10   3.789  -5.254   1.434
   76   3HB   ALA  10          HB3       ALA  10   2.293  -5.809   2.172
   77    H    ALA  11           HN       ALA  11   4.987  -6.126   4.578
   78    HA   ALA  11           HA       ALA  11   3.312  -7.157   6.576
   79   1HB   ALA  11          HB1       ALA  11   5.591  -8.030   5.739
   80   2HB   ALA  11          HB2       ALA  11   5.210  -8.204   7.452
   81   3HB   ALA  11          HB3       ALA  11   6.285  -6.914   6.915
   82    H    GLU  12           HN       GLU  12   5.731  -4.577   6.619
   83    HA   GLU  12           HA       GLU  12   5.961  -3.706   9.095
   84   1HB   GLU  12          HB2       GLU  12   6.470  -2.537   6.771
   85   2HB   GLU  12          HB1       GLU  12   5.055  -1.588   7.207
   86   1HG   GLU  12          HG2       GLU  12   7.058  -0.457   7.912
   87   2HG   GLU  12          HG1       GLU  12   6.134  -0.976   9.322
   88    H    ARG  13           HN       ARG  13   3.213  -2.244   7.239
   89    HA   ARG  13           HA       ARG  13   1.928  -1.575   9.692
   90   1HB   ARG  13          HB2       ARG  13   1.195  -1.373   6.826
   91   2HB   ARG  13          HB1       ARG  13  -0.077  -1.239   8.026
   92   1HG   ARG  13          HG2       ARG  13   0.988   0.923   7.211
   93   2HG   ARG  13          HG1       ARG  13   0.827   0.706   8.954
   94   1HD   ARG  13          HD2       ARG  13   3.349  -0.101   7.555
   95   2HD   ARG  13          HD1       ARG  13   3.064   1.590   7.966
   96    HE   ARG  13           HE       ARG  13   3.859  -0.466   9.736
   97   1HH1  ARG  13          HH11      ARG  13   1.809   2.353   9.574
   98   2HH1  ARG  13          HH12      ARG  13   1.909   2.676  11.273
   99   1HH2  ARG  13          HH21      ARG  13   3.993  -0.042  11.968
  100   2HH2  ARG  13          HH22      ARG  13   3.149   1.317  12.632
  101    H    GLN  14           HN       GLN  14   1.300  -3.921   7.235
  102    HA   GLN  14           HA       GLN  14   0.476  -6.070   7.393
  103   1HB   GLN  14          HB2       GLN  14   1.028  -5.598  10.029
  104   2HB   GLN  14          HB1       GLN  14  -0.714  -5.836  10.074
  105   1HG   GLN  14          HG2       GLN  14   0.695  -7.823   8.470
  106   2HG   GLN  14          HG1       GLN  14   1.172  -7.810  10.167
  107   1HE2  GLN  14          HE21      GLN  14  -0.697  -7.753  11.725
  108   2HE2  GLN  14          HE22      GLN  14  -2.050  -8.762  11.357
  109    H    THR  15           HN       THR  15  -1.279  -3.270   8.459
  110    HA   THR  15           HA       THR  15  -3.675  -4.323   7.137
  111    HB   THR  15           HB       THR  15  -5.057  -3.152   8.860
  112    HG1  THR  15           HG1      THR  15  -3.224  -1.823   9.578
  113   1HG2  THR  15          HG21      THR  15  -5.221  -4.989  10.106
  114   2HG2  THR  15          HG22      THR  15  -3.523  -4.940  10.577
  115   3HG2  THR  15          HG23      THR  15  -3.988  -5.650   9.032
  116    H    SER  16           HN       SER  16  -1.337  -2.171   6.833
  117    HA   SER  16           HA       SER  16  -3.145  -0.133   5.739
  118   1HB   SER  16          HB2       SER  16  -1.128   0.227   7.770
  119   2HB   SER  16          HB1       SER  16  -0.748   1.202   6.352
  120    HG   SER  16           HG       SER  16  -3.059   1.251   7.968
  121    H    VAL  17           HN       VAL  17   0.410  -0.063   5.557
  122    HA   VAL  17           HA       VAL  17   0.450   0.492   2.920
  123    HB   VAL  17           HB       VAL  17   2.429   0.942   3.887
  124   1HG1  VAL  17          HG11      VAL  17   2.291  -1.778   5.146
  125   2HG1  VAL  17          HG12      VAL  17   2.337  -0.193   5.917
  126   3HG1  VAL  17          HG13      VAL  17   3.778  -0.830   5.134
  127   1HG2  VAL  17          HG21      VAL  17   2.568  -0.588   1.718
  128   2HG2  VAL  17          HG22      VAL  17   3.456  -1.634   2.825
  129   3HG2  VAL  17          HG23      VAL  17   4.009   0.016   2.536
  130    H    GLU  18           HN       GLU  18   0.799  -2.930   4.157
  131    HA   GLU  18           HA       GLU  18   1.162  -4.100   1.677
  132   1HB   GLU  18          HB2       GLU  18   1.112  -5.430   3.730
  133   2HB   GLU  18          HB1       GLU  18  -0.600  -5.091   3.936
  134   1HG   GLU  18          HG2       GLU  18  -1.210  -6.708   2.528
  135   2HG   GLU  18          HG1       GLU  18   0.047  -6.299   1.362
  136    H    ARG  19           HN       ARG  19  -1.890  -3.236   3.224
  137    HA   ARG  19           HA       ARG  19  -3.616  -3.894   1.134
  138   1HB   ARG  19          HB2       ARG  19  -3.785  -2.075   3.490
  139   2HB   ARG  19          HB1       ARG  19  -5.036  -1.986   2.257
  140   1HG   ARG  19          HG2       ARG  19  -4.348  -4.662   3.334
  141   2HG   ARG  19          HG1       ARG  19  -5.253  -3.556   4.370
  142   1HD   ARG  19          HD2       ARG  19  -6.769  -3.237   2.299
  143   2HD   ARG  19          HD1       ARG  19  -6.029  -4.732   1.727
  144    HE   ARG  19           HE       ARG  19  -6.857  -5.316   4.257
  145   1HH1  ARG  19          HH11      ARG  19  -8.423  -4.078   1.394
  146   2HH1  ARG  19          HH12      ARG  19  -9.960  -4.775   1.783
  147   1HH2  ARG  19          HH21      ARG  19  -8.878  -6.234   4.768
  148   2HH2  ARG  19          HH22      ARG  19 -10.218  -5.998   3.698
  149    H    LEU  20           HN       LEU  20  -2.006  -0.962   1.979
  150    HA   LEU  20           HA       LEU  20  -3.023   0.808   0.135
  151   1HB   LEU  20          HB2       LEU  20  -1.368   2.238   0.747
  152   2HB   LEU  20          HB1       LEU  20  -1.204   1.080   2.044
  153    HG   LEU  20           HG       LEU  20   0.728   0.044   0.836
  154   1HD1  LEU  20          HD11      LEU  20   1.466   2.164  -0.871
  155   2HD1  LEU  20          HD12      LEU  20  -0.194   1.762  -1.288
  156   3HD1  LEU  20          HD13      LEU  20   1.050   0.514  -1.329
  157   1HD2  LEU  20          HD21      LEU  20   0.632   2.390   2.310
  158   2HD2  LEU  20          HD22      LEU  20   1.701   2.749   0.953
  159   3HD2  LEU  20          HD23      LEU  20   2.038   1.381   1.998
  160    H    VAL  21           HN       VAL  21  -0.318  -1.369  -0.253
  161    HA   VAL  21           HA       VAL  21   0.522  -0.690  -2.764
  162    HB   VAL  21           HB       VAL  21   0.479  -3.549  -1.876
  163   1HG1  VAL  21          HG11      VAL  21   2.707  -3.524  -2.881
  164   2HG1  VAL  21          HG12      VAL  21   2.504  -1.829  -3.255
  165   3HG1  VAL  21          HG13      VAL  21   1.466  -3.016  -4.019
  166   1HG2  VAL  21          HG21      VAL  21   1.621  -1.277  -0.427
  167   2HG2  VAL  21          HG22      VAL  21   2.782  -2.552  -0.782
  168   3HG2  VAL  21          HG23      VAL  21   1.313  -2.926   0.113
  169    H    GLN  22           HN       GLN  22  -1.873  -3.216  -1.935
  170    HA   GLN  22           HA       GLN  22  -2.323  -3.957  -4.602
  171   1HB   GLN  22          HB2       GLN  22  -4.400  -4.115  -2.436
  172   2HB   GLN  22          HB1       GLN  22  -4.235  -5.155  -3.844
  173   1HG   GLN  22          HG2       GLN  22  -1.909  -5.710  -2.785
  174   2HG   GLN  22          HG1       GLN  22  -2.679  -5.134  -1.307
  175   1HE2  GLN  22          HE21      GLN  22  -1.871  -7.839  -2.698
  176   2HE2  GLN  22          HE22      GLN  22  -3.202  -8.863  -2.291
  177    H    GLN  23           HN       GLN  23  -4.689  -2.172  -2.662
  178    HA   GLN  23           HA       GLN  23  -6.298  -1.416  -4.752
  179   1HB   GLN  23          HB2       GLN  23  -5.819  -0.469  -2.025
  180   2HB   GLN  23          HB1       GLN  23  -6.458   0.769  -3.096
  181   1HG   GLN  23          HG2       GLN  23  -8.382  -0.136  -2.257
  182   2HG   GLN  23          HG1       GLN  23  -8.183  -1.069  -3.739
  183   1HE2  GLN  23          HE21      GLN  23  -8.969  -1.317  -0.600
  184   2HE2  GLN  23          HE22      GLN  23  -8.518  -2.956  -0.296
  185    H    PHE  24           HN       PHE  24  -3.544   0.417  -3.449
  186    HA   PHE  24           HA       PHE  24  -3.809   2.571  -5.134
  187   1HB   PHE  24          HB2       PHE  24  -1.623   1.647  -3.401
  188   2HB   PHE  24          HB1       PHE  24  -1.224   2.826  -4.651
  189    HD1  PHE  24           HD1      PHE  24  -3.232   4.602  -4.968
  190    HD2  PHE  24           HD2      PHE  24  -2.190   2.613  -1.366
  191    HE1  PHE  24           HE1      PHE  24  -4.409   6.332  -3.695
  192    HE2  PHE  24           HE2      PHE  24  -3.347   4.357  -0.082
  193    HZ   PHE  24           HZ       PHE  24  -4.489   6.189  -1.254
  194    H    ALA  25           HN       ALA  25  -1.914  -0.352  -5.735
  195    HA   ALA  25           HA       ALA  25  -0.610   0.395  -8.038
  196   1HB   ALA  25          HB1       ALA  25  -2.049  -2.184  -8.230
  197   2HB   ALA  25          HB2       ALA  25  -1.012  -1.990  -6.818
  198   3HB   ALA  25          HB3       ALA  25  -0.336  -1.827  -8.437
  199    H    ASP  26           HN       ASP  26  -3.955  -0.655  -7.571
  200    HA   ASP  26           HA       ASP  26  -4.805  -0.196 -10.251
  201   1HB   ASP  26          HB2       ASP  26  -5.952  -1.463  -8.200
  202   2HB   ASP  26          HB1       ASP  26  -6.723   0.106  -7.983
  203    H    ALA  27           HN       ALA  27  -5.014   1.731  -7.258
  204    HA   ALA  27           HA       ALA  27  -6.372   3.962  -7.994
  205   1HB   ALA  27          HB1       ALA  27  -5.788   4.439  -5.941
  206   2HB   ALA  27          HB2       ALA  27  -4.261   5.038  -6.587
  207   3HB   ALA  27          HB3       ALA  27  -4.390   3.379  -6.027
  208    H    GLY  28           HN       GLY  28  -2.855   4.030  -7.931
  209   1HA   GLY  28          HA2       GLY  28  -2.198   4.747 -10.526
  210   2HA   GLY  28          HA1       GLY  28  -2.575   6.254  -9.689
  211    H    ILE  29           HN       ILE  29  -1.221   3.339  -8.411
  212    HA   ILE  29           HA       ILE  29   1.383   4.557  -7.913
  213    HB   ILE  29           HB       ILE  29   0.135   2.899  -5.760
  214   1HG1  ILE  29          HG12      ILE  29  -0.418   5.788  -6.390
  215   2HG1  ILE  29          HG11      ILE  29  -1.550   4.528  -5.920
  216   1HG2  ILE  29          HG21      ILE  29   2.102   3.313  -4.807
  217   2HG2  ILE  29          HG22      ILE  29   1.727   5.035  -4.801
  218   3HG2  ILE  29          HG23      ILE  29   2.574   4.325  -6.171
  219   1HD1  ILE  29          HD11      ILE  29   0.413   5.969  -4.163
  220   2HD1  ILE  29          HD12      ILE  29  -0.525   4.569  -3.652
  221   3HD1  ILE  29          HD13      ILE  29  -1.347   6.058  -4.115
  222    H    ARG  30           HN       ARG  30   2.709   2.498  -6.721
  223    HA   ARG  30           HA       ARG  30   2.784   0.672  -8.942
  224   1HB   ARG  30          HB2       ARG  30   4.437   0.587  -6.435
  225   2HB   ARG  30          HB1       ARG  30   4.800  -0.178  -7.973
  226   1HG   ARG  30          HG2       ARG  30   5.897   1.627  -8.626
  227   2HG   ARG  30          HG1       ARG  30   4.432   2.594  -8.444
  228   1HD   ARG  30          HD2       ARG  30   4.956   2.956  -6.087
  229   2HD   ARG  30          HD1       ARG  30   6.405   1.965  -6.250
  230    HE   ARG  30           HE       ARG  30   6.067   4.698  -7.078
  231   1HH1  ARG  30          HH11      ARG  30   7.883   1.760  -7.574
  232   2HH1  ARG  30          HH12      ARG  30   9.268   2.578  -8.217
  233   1HH2  ARG  30          HH21      ARG  30   7.887   5.774  -7.924
  234   2HH2  ARG  30          HH22      ARG  30   9.271   4.855  -8.416
  235    H    LYS  31           HN       LYS  31   3.210  -1.670  -8.435
  236    HA   LYS  31           HA       LYS  31   0.846  -2.720  -7.162
  237   1HB   LYS  31          HB2       LYS  31   2.948  -3.955  -8.917
  238   2HB   LYS  31          HB1       LYS  31   1.642  -4.887  -8.200
  239   1HG   LYS  31          HG2       LYS  31   1.091  -4.298 -10.468
  240   2HG   LYS  31          HG1       LYS  31   0.010  -3.461  -9.354
  241   1HD   LYS  31          HD2       LYS  31   1.160  -1.404  -9.648
  242   2HD   LYS  31          HD1       LYS  31   2.497  -2.196 -10.484
  243   1HE   LYS  31          HE2       LYS  31   1.320  -2.420 -12.440
  244   2HE   LYS  31          HE1       LYS  31  -0.242  -2.433 -11.624
  245   1HZ   LYS  31          HZ1       LYS  31  -0.126  -0.097 -11.300
  246   2HZ   LYS  31          HZ2       LYS  31   0.231  -0.387 -12.927
  247   3HZ   LYS  31          HZ3       LYS  31   1.475  -0.024 -11.841
  248    H    SER  32           HN       SER  32   0.897  -4.800  -6.074
  249    HA   SER  32           HA       SER  32   2.878  -4.761  -3.939
  250   1HB   SER  32          HB2       SER  32   1.270  -5.794  -2.550
  251   2HB   SER  32          HB1       SER  32   0.372  -4.604  -3.491
  252    HG   SER  32           HG       SER  32  -0.240  -6.316  -4.895
  253    H    ALA  33           HN       ALA  33   3.099  -6.977  -2.841
  254    HA   ALA  33           HA       ALA  33   3.590  -9.235  -2.919
  255   1HB   ALA  33          HB1       ALA  33   3.281 -10.553  -4.768
  256   2HB   ALA  33          HB2       ALA  33   3.798  -9.295  -5.891
  257   3HB   ALA  33          HB3       ALA  33   2.199  -9.214  -5.150
  258    H    ASP  34           HN       ASP  34   5.419  -7.476  -2.278
  259    HA   ASP  34           HA       ASP  34   7.667  -7.057  -2.222
  260   1HB   ASP  34          HB2       ASP  34   7.370  -9.824  -2.897
  261   2HB   ASP  34          HB1       ASP  34   8.760  -9.180  -3.763
  262    H    ASP  35           HN       ASP  35   8.041  -5.277  -3.368
  263    HA   ASP  35           HA       ASP  35   9.480  -5.275  -5.748
  264   1HB   ASP  35          HB2       ASP  35   7.022  -5.990  -6.491
  265   2HB   ASP  35          HB1       ASP  35   6.747  -4.254  -6.419
  266    H    SER  36           HN       SER  36   7.902  -2.713  -6.674
  267    HA   SER  36           HA       SER  36   8.756  -1.063  -4.383
  268   1HB   SER  36          HB2       SER  36   9.207   0.740  -6.186
  269   2HB   SER  36          HB1       SER  36  10.370  -0.577  -6.037
  270    HG   SER  36           HG       SER  36   8.453  -0.105  -8.034
  271    H    VAL  37           HN       VAL  37   7.169  -0.067  -3.473
  272    HA   VAL  37           HA       VAL  37   4.993   1.130  -4.970
  273    HB   VAL  37           HB       VAL  37   4.620  -1.308  -3.856
  274   1HG1  VAL  37          HG11      VAL  37   3.293   0.499  -1.876
  275   2HG1  VAL  37          HG12      VAL  37   4.926  -0.102  -1.587
  276   3HG1  VAL  37          HG13      VAL  37   3.593  -1.232  -1.781
  277   1HG2  VAL  37          HG21      VAL  37   2.144   0.084  -3.686
  278   2HG2  VAL  37          HG22      VAL  37   2.727  -0.979  -4.965
  279   3HG2  VAL  37          HG23      VAL  37   3.064   0.750  -5.034
  280    H    SER  38           HN       SER  38   3.401   2.217  -3.229
  281    HA   SER  38           HA       SER  38   5.071   4.089  -1.830
  282   1HB   SER  38          HB2       SER  38   2.941   4.635  -3.173
  283   2HB   SER  38          HB1       SER  38   2.062   4.052  -1.760
  284    HG   SER  38           HG       SER  38   3.183   5.632  -0.526
  285    H    ALA  39           HN       ALA  39   4.688   4.633   0.468
  286    HA   ALA  39           HA       ALA  39   3.738   2.374   2.071
  287   1HB   ALA  39          HB1       ALA  39   6.232   2.658   2.066
  288   2HB   ALA  39          HB2       ALA  39   5.482   2.760   3.659
  289   3HB   ALA  39          HB3       ALA  39   5.991   4.230   2.828
  290    H    GLN  40           HN       GLN  40   2.552   2.887   3.911
  291    HA   GLN  40           HA       GLN  40   1.154   4.100   5.235
  292   1HB   GLN  40          HB2       GLN  40   2.785   6.517   4.426
  293   2HB   GLN  40          HB1       GLN  40   1.726   6.381   5.823
  294   1HG   GLN  40          HG2       GLN  40   4.128   4.623   5.461
  295   2HG   GLN  40          HG1       GLN  40   4.222   6.206   6.232
  296   1HE2  GLN  40          HE21      GLN  40   4.984   4.085   7.669
  297   2HE2  GLN  40          HE22      GLN  40   3.820   3.710   8.890
  298    H    GLU  41           HN       GLU  41   1.197   4.139   2.068
  299    HA   GLU  41           HA       GLU  41  -0.371   6.265   1.235
  300   1HB   GLU  41          HB2       GLU  41   0.495   3.763   0.171
  301   2HB   GLU  41          HB1       GLU  41  -1.213   3.958  -0.160
  302   1HG   GLU  41          HG2       GLU  41   0.989   5.868  -0.887
  303   2HG   GLU  41          HG1       GLU  41   0.097   4.820  -1.985
  304    H    LYS  42           HN       LYS  42  -1.020   3.530   3.207
  305    HA   LYS  42           HA       LYS  42  -3.123   2.485   3.673
  306   1HB   LYS  42          HB2       LYS  42  -3.961   3.892   5.631
  307   2HB   LYS  42          HB1       LYS  42  -2.300   3.319   5.681
  308   1HG   LYS  42          HG2       LYS  42  -1.516   5.384   5.824
  309   2HG   LYS  42          HG1       LYS  42  -2.441   5.900   4.416
  310   1HD   LYS  42          HD2       LYS  42  -4.172   5.538   6.695
  311   2HD   LYS  42          HD1       LYS  42  -2.849   6.638   7.085
  312   1HE   LYS  42          HE2       LYS  42  -3.765   8.270   5.882
  313   2HE   LYS  42          HE1       LYS  42  -3.921   7.220   4.475
  314   1HZ   LYS  42          HZ1       LYS  42  -6.028   8.209   5.526
  315   2HZ   LYS  42          HZ2       LYS  42  -5.834   7.015   6.708
  316   3HZ   LYS  42          HZ3       LYS  42  -6.038   6.575   5.088
  317    H    GLN  43           HN       GLN  43  -3.678   5.950   3.002
  318    HA   GLN  43           HA       GLN  43  -6.357   6.177   3.056
  319   1HB   GLN  43          HB2       GLN  43  -4.636   7.895   2.308
  320   2HB   GLN  43          HB1       GLN  43  -4.780   7.198   0.700
  321   1HG   GLN  43          HG2       GLN  43  -6.408   8.668   0.368
  322   2HG   GLN  43          HG1       GLN  43  -7.395   7.644   1.412
  323   1HE2  GLN  43          HE21      GLN  43  -5.520  10.562   1.192
  324   2HE2  GLN  43          HE22      GLN  43  -6.083  11.276   2.662
  325    H    THR  44           HN       THR  44  -4.626   4.068   0.938
  326    HA   THR  44           HA       THR  44  -6.226   3.808  -1.259
  327    HB   THR  44           HB       THR  44  -4.124   2.414  -0.173
  328    HG1  THR  44           HG1      THR  44  -4.089   1.421  -2.122
  329   1HG2  THR  44          HG21      THR  44  -4.742   0.034  -0.270
  330   2HG2  THR  44          HG22      THR  44  -6.442   0.497  -0.315
  331   3HG2  THR  44          HG23      THR  44  -5.462   0.876   1.101
  332    H    LEU  45           HN       LEU  45  -6.679   2.199   1.880
  333    HA   LEU  45           HA       LEU  45  -8.899   0.676   1.319
  334   1HB   LEU  45          HB2       LEU  45  -8.452   2.161   3.903
  335   2HB   LEU  45          HB1       LEU  45  -9.372   0.685   3.680
  336    HG   LEU  45           HG       LEU  45  -6.561   0.491   2.834
  337   1HD1  LEU  45          HD11      LEU  45  -7.257   0.904   5.737
  338   2HD1  LEU  45          HD12      LEU  45  -6.239   1.945   4.742
  339   3HD1  LEU  45          HD13      LEU  45  -5.712   0.307   5.132
  340   1HD2  LEU  45          HD21      LEU  45  -6.767  -1.672   3.564
  341   2HD2  LEU  45          HD22      LEU  45  -8.446  -1.303   3.168
  342   3HD2  LEU  45          HD23      LEU  45  -7.902  -1.250   4.846
  343    H    ILE  46           HN       ILE  46  -8.922   3.999   2.628
  344    HA   ILE  46           HA       ILE  46 -11.745   4.257   2.487
  345    HB   ILE  46           HB       ILE  46  -9.755   6.518   2.569
  346   1HG1  ILE  46          HG12      ILE  46 -10.549   6.147   5.153
  347   2HG1  ILE  46          HG11      ILE  46 -10.471   4.484   4.581
  348   1HG2  ILE  46          HG21      ILE  46 -12.409   6.513   3.924
  349   2HG2  ILE  46          HG22      ILE  46 -12.332   6.796   2.184
  350   3HG2  ILE  46          HG23      ILE  46 -11.468   7.863   3.291
  351   1HD1  ILE  46          HD11      ILE  46  -8.164   6.184   3.912
  352   2HD1  ILE  46          HD12      ILE  46  -8.228   4.501   4.435
  353   3HD1  ILE  46          HD13      ILE  46  -8.386   5.800   5.618
  354    H    ASP  47           HN       ASP  47  -9.197   5.823   0.524
  355    HA   ASP  47           HA       ASP  47 -10.782   7.173  -1.260
  356   1HB   ASP  47          HB2       ASP  47  -8.089   6.699  -1.017
  357   2HB   ASP  47          HB1       ASP  47  -8.467   5.915  -2.548
  358    H    HIS  48           HN       HIS  48  -9.257   4.070  -2.115
  359    HA   HIS  48           HA       HIS  48 -10.664   3.551  -4.413
  360   1HB   HIS  48          HB2       HIS  48  -9.609   1.595  -2.365
  361   2HB   HIS  48          HB1       HIS  48 -10.182   1.131  -3.963
  362    HD1  HIS  48           HD1      HIS  48  -7.522   3.359  -2.419
  363    HD2  HIS  48           HD2      HIS  48  -8.243   1.175  -5.876
  364    HE1  HIS  48           HE1      HIS  48  -5.402   3.503  -3.776
  365    HE2  HIS  48           HE2      HIS  48  -5.867   2.137  -5.824
  366    H    LEU  49           HN       LEU  49 -11.530   2.507  -1.120
  367    HA   LEU  49           HA       LEU  49 -13.809   1.061  -1.680
  368   1HB   LEU  49          HB2       LEU  49 -12.958   2.715   0.648
  369   2HB   LEU  49          HB1       LEU  49 -14.610   2.132   0.603
  370    HG   LEU  49           HG       LEU  49 -12.164   0.369   0.450
  371   1HD1  LEU  49          HD11      LEU  49 -13.381  -0.289   2.760
  372   2HD1  LEU  49          HD12      LEU  49 -13.721   1.441   2.707
  373   3HD1  LEU  49          HD13      LEU  49 -12.055   0.868   2.644
  374   1HD2  LEU  49          HD21      LEU  49 -13.867  -1.415   0.930
  375   2HD2  LEU  49          HD22      LEU  49 -13.968  -0.689  -0.673
  376   3HD2  LEU  49          HD23      LEU  49 -15.113  -0.217   0.582
  377    H    ASN  50           HN       ASN  50 -13.975   4.424  -0.509
  378    HA   ASN  50           HA       ASN  50 -16.623   4.783  -1.480
  379   1HB   ASN  50          HB2       ASN  50 -14.547   6.618  -0.317
  380   2HB   ASN  50          HB1       ASN  50 -16.039   7.268  -0.990
  381   1HD2  ASN  50          HD21      ASN  50 -18.042   6.019  -0.196
  382   2HD2  ASN  50          HD22      ASN  50 -18.106   5.733   1.506
  Start of MODEL    3
    1   1H    THR   2          HT1       THR   2   9.364   7.008   2.495
    2   2H    THR   2          HT2       THR   2   9.186   8.618   3.063
    3   3H    THR   2          HT3       THR   2   9.785   8.325   1.481
    4    HA   THR   2           HA       THR   2   7.074   7.951   2.532
    5    HB   THR   2           HB       THR   2   7.741  10.165   1.685
    6    HG1  THR   2           HG1      THR   2   6.083  10.328   0.113
    7   1HG2  THR   2          HG21      THR   2   8.872   8.607  -0.498
    8   2HG2  THR   2          HG22      THR   2   9.236  10.247   0.041
    9   3HG2  THR   2          HG23      THR   2   7.867   9.954  -1.033
   10    H    ASP   3           HN       ASP   3   9.450   6.767   0.288
   11    HA   ASP   3           HA       ASP   3   7.439   4.906  -0.793
   12   1HB   ASP   3          HB2       ASP   3   9.523   6.512  -2.207
   13   2HB   ASP   3          HB1       ASP   3   9.126   4.914  -2.832
   14    H    VAL   4           HN       VAL   4   7.921   2.793  -0.660
   15    HA   VAL   4           HA       VAL   4  10.696   1.958  -0.313
   16    HB   VAL   4           HB       VAL   4   8.747   0.661   1.522
   17   1HG1  VAL   4          HG11      VAL   4  10.748  -0.353   1.804
   18   2HG1  VAL   4          HG12      VAL   4  11.002   0.983   2.926
   19   3HG1  VAL   4          HG13      VAL   4  11.663   1.065   1.292
   20   1HG2  VAL   4          HG21      VAL   4   8.230   2.951   2.000
   21   2HG2  VAL   4          HG22      VAL   4   9.941   3.382   2.036
   22   3HG2  VAL   4          HG23      VAL   4   9.265   2.344   3.293
   23    H    THR   5           HN       THR   5  10.663  -0.606  -0.186
   24    HA   THR   5           HA       THR   5   9.153  -1.400  -2.525
   25    HB   THR   5           HB       THR   5  10.640  -3.103  -2.815
   26    HG1  THR   5           HG1      THR   5  10.256  -4.298  -0.995
   27   1HG2  THR   5          HG21      THR   5  12.310  -1.454  -0.938
   28   2HG2  THR   5          HG22      THR   5  11.969  -1.018  -2.613
   29   3HG2  THR   5          HG23      THR   5  12.870  -2.489  -2.251
   30    H    ILE   6           HN       ILE   6   7.365  -2.427  -2.535
   31    HA   ILE   6           HA       ILE   6   5.846  -3.002  -0.290
   32    HB   ILE   6           HB       ILE   6   4.953  -2.708  -2.621
   33   1HG1  ILE   6          HG12      ILE   6   3.037  -4.110  -2.223
   34   2HG1  ILE   6          HG11      ILE   6   3.973  -5.184  -1.200
   35   1HG2  ILE   6          HG21      ILE   6   4.667  -4.859  -3.908
   36   2HG2  ILE   6          HG22      ILE   6   5.946  -5.523  -2.896
   37   3HG2  ILE   6          HG23      ILE   6   6.271  -4.135  -3.933
   38   1HD1  ILE   6          HD11      ILE   6   3.339  -4.001   0.556
   39   2HD1  ILE   6          HD12      ILE   6   2.502  -2.858  -0.480
   40   3HD1  ILE   6          HD13      ILE   6   4.193  -2.605  -0.090
   41    H    LYS   7           HN       LYS   7   5.010  -4.909   0.514
   42    HA   LYS   7           HA       LYS   7   4.989  -7.182   1.026
   43   1HB   LYS   7          HB2       LYS   7   6.575  -7.455  -1.092
   44   2HB   LYS   7          HB1       LYS   7   7.811  -7.635   0.142
   45   1HG   LYS   7          HG2       LYS   7   5.291  -9.257   0.189
   46   2HG   LYS   7          HG1       LYS   7   6.694  -9.746  -0.762
   47   1HD   LYS   7          HD2       LYS   7   6.994  -9.058   2.136
   48   2HD   LYS   7          HD1       LYS   7   6.410 -10.652   1.654
   49   1HE   LYS   7          HE2       LYS   7   8.424 -10.963   0.288
   50   2HE   LYS   7          HE1       LYS   7   9.009  -9.381   0.799
   51   1HZ   LYS   7          HZ1       LYS   7   8.554 -11.748   2.531
   52   2HZ   LYS   7          HZ2       LYS   7   8.967 -10.213   3.107
   53   3HZ   LYS   7          HZ3       LYS   7  10.045 -11.063   2.120
   54    H    THR   8           HN       THR   8   8.417  -6.129   1.278
   55    HA   THR   8           HA       THR   8   8.698  -6.911   3.966
   56    HB   THR   8           HB       THR   8  10.126  -4.463   3.008
   57    HG1  THR   8           HG1      THR   8  10.379  -7.025   1.848
   58   1HG2  THR   8          HG21      THR   8  11.569  -5.030   4.577
   59   2HG2  THR   8          HG22      THR   8  11.847  -6.583   3.786
   60   3HG2  THR   8          HG23      THR   8  10.566  -6.421   4.987
   61    H    LEU   9           HN       LEU   9   7.697  -3.969   2.376
   62    HA   LEU   9           HA       LEU   9   7.086  -2.486   4.737
   63   1HB   LEU   9          HB2       LEU   9   7.430  -1.799   2.132
   64   2HB   LEU   9          HB1       LEU   9   5.679  -1.821   2.225
   65    HG   LEU   9           HG       LEU   9   5.785  -0.225   4.120
   66   1HD1  LEU   9          HD11      LEU   9   7.695   0.493   5.064
   67   2HD1  LEU   9          HD12      LEU   9   8.572   0.502   3.535
   68   3HD1  LEU   9          HD13      LEU   9   8.352  -1.010   4.414
   69   1HD2  LEU   9          HD21      LEU   9   6.845   1.675   2.652
   70   2HD2  LEU   9          HD22      LEU   9   5.338   0.897   2.173
   71   3HD2  LEU   9          HD23      LEU   9   6.856   0.416   1.419
   72    H    ALA  10           HN       ALA  10   5.249  -4.339   2.334
   73    HA   ALA  10           HA       ALA  10   2.669  -3.985   3.151
   74   1HB   ALA  10          HB1       ALA  10   2.367  -5.494   1.560
   75   2HB   ALA  10          HB2       ALA  10   2.931  -6.753   2.657
   76   3HB   ALA  10          HB3       ALA  10   4.067  -5.911   1.621
   77    H    ALA  11           HN       ALA  11   4.994  -6.344   4.390
   78    HA   ALA  11           HA       ALA  11   3.388  -7.438   6.419
   79   1HB   ALA  11          HB1       ALA  11   6.362  -7.196   6.695
   80   2HB   ALA  11          HB2       ALA  11   5.666  -8.252   5.465
   81   3HB   ALA  11          HB3       ALA  11   5.302  -8.523   7.169
   82    H    GLU  12           HN       GLU  12   5.803  -4.842   6.414
   83    HA   GLU  12           HA       GLU  12   6.030  -4.034   8.945
   84   1HB   GLU  12          HB2       GLU  12   6.547  -2.844   6.570
   85   2HB   GLU  12          HB1       GLU  12   5.254  -1.808   7.158
   86   1HG   GLU  12          HG2       GLU  12   6.584  -1.601   9.301
   87   2HG   GLU  12          HG1       GLU  12   7.916  -2.356   8.428
   88    H    ARG  13           HN       ARG  13   3.422  -2.463   6.997
   89    HA   ARG  13           HA       ARG  13   2.001  -1.855   9.388
   90   1HB   ARG  13          HB2       ARG  13   1.294  -1.646   6.484
   91   2HB   ARG  13          HB1       ARG  13   0.148  -1.241   7.752
   92   1HG   ARG  13          HG2       ARG  13   2.839   0.053   7.364
   93   2HG   ARG  13          HG1       ARG  13   1.293   0.739   6.868
   94   1HD   ARG  13          HD2       ARG  13   1.353  -0.090   9.667
   95   2HD   ARG  13          HD1       ARG  13   2.541   1.153   9.282
   96    HE   ARG  13           HE       ARG  13  -0.099   1.711   8.286
   97   1HH1  ARG  13          HH11      ARG  13   2.062   2.003  11.010
   98   2HH1  ARG  13          HH12      ARG  13   1.219   3.351  11.694
   99   1HH2  ARG  13          HH21      ARG  13  -1.210   3.483   9.187
  100   2HH2  ARG  13          HH22      ARG  13  -0.639   4.191  10.660
  101    H    GLN  14           HN       GLN  14   1.570  -4.083   6.789
  102    HA   GLN  14           HA       GLN  14   0.722  -6.219   6.743
  103   1HB   GLN  14          HB2       GLN  14   1.317  -6.092   9.325
  104   2HB   GLN  14          HB1       GLN  14  -0.433  -6.017   9.489
  105   1HG   GLN  14          HG2       GLN  14  -0.312  -8.096   7.864
  106   2HG   GLN  14          HG1       GLN  14   1.298  -8.241   8.568
  107   1HE2  GLN  14          HE21      GLN  14  -2.082  -7.756   9.519
  108   2HE2  GLN  14          HE22      GLN  14  -2.002  -8.732  10.941
  109    H    THR  15           HN       THR  15  -1.306  -4.000   8.626
  110    HA   THR  15           HA       THR  15  -3.609  -4.829   7.005
  111    HB   THR  15           HB       THR  15  -3.866  -5.092   9.441
  112    HG1  THR  15           HG1      THR  15  -5.643  -4.395   8.017
  113   1HG2  THR  15          HG21      THR  15  -2.403  -3.147  10.069
  114   2HG2  THR  15          HG22      THR  15  -3.920  -3.292  10.957
  115   3HG2  THR  15          HG23      THR  15  -3.766  -2.102   9.664
  116    H    SER  16           HN       SER  16  -1.329  -2.664   6.658
  117    HA   SER  16           HA       SER  16  -3.203  -0.604   5.739
  118   1HB   SER  16          HB2       SER  16  -0.519   0.290   6.670
  119   2HB   SER  16          HB1       SER  16  -2.059   1.140   6.686
  120    HG   SER  16           HG       SER  16  -2.393   0.426   8.625
  121    H    VAL  17           HN       VAL  17   0.344  -0.393   5.397
  122    HA   VAL  17           HA       VAL  17   0.196   0.252   2.804
  123    HB   VAL  17           HB       VAL  17   2.157   0.749   3.927
  124   1HG1  VAL  17          HG11      VAL  17   2.127  -2.100   4.636
  125   2HG1  VAL  17          HG12      VAL  17   2.777  -0.716   5.513
  126   3HG1  VAL  17          HG13      VAL  17   3.721  -1.466   4.229
  127   1HG2  VAL  17          HG21      VAL  17   3.541  -1.139   2.218
  128   2HG2  VAL  17          HG22      VAL  17   3.409   0.615   2.093
  129   3HG2  VAL  17          HG23      VAL  17   2.156  -0.414   1.403
  130    H    GLU  18           HN       GLU  18   0.747  -3.213   3.827
  131    HA   GLU  18           HA       GLU  18   1.091  -4.200   1.265
  132   1HB   GLU  18          HB2       GLU  18   1.072  -5.547   3.418
  133   2HB   GLU  18          HB1       GLU  18  -0.682  -5.526   3.328
  134   1HG   GLU  18          HG2       GLU  18   0.286  -6.409   0.822
  135   2HG   GLU  18          HG1       GLU  18   1.148  -7.299   2.075
  136    H    ARG  19           HN       ARG  19  -1.962  -3.593   2.916
  137    HA   ARG  19           HA       ARG  19  -3.664  -4.255   0.804
  138   1HB   ARG  19          HB2       ARG  19  -4.255  -2.150   2.861
  139   2HB   ARG  19          HB1       ARG  19  -5.399  -3.193   2.028
  140   1HG   ARG  19          HG2       ARG  19  -3.909  -5.054   3.253
  141   2HG   ARG  19          HG1       ARG  19  -3.721  -3.720   4.394
  142   1HD   ARG  19          HD2       ARG  19  -5.987  -3.639   4.871
  143   2HD   ARG  19          HD1       ARG  19  -6.435  -4.442   3.366
  144    HE   ARG  19           HE       ARG  19  -4.913  -6.138   5.087
  145   1HH1  ARG  19          HH11      ARG  19  -8.116  -4.884   4.493
  146   2HH1  ARG  19          HH12      ARG  19  -8.915  -6.223   5.244
  147   1HH2  ARG  19          HH21      ARG  19  -5.963  -7.899   6.077
  148   2HH2  ARG  19          HH22      ARG  19  -7.694  -7.935   6.145
  149    H    LEU  20           HN       LEU  20  -2.214  -1.299   1.804
  150    HA   LEU  20           HA       LEU  20  -3.450   0.467   0.066
  151   1HB   LEU  20          HB2       LEU  20  -2.055   2.066   0.834
  152   2HB   LEU  20          HB1       LEU  20  -1.845   0.864   2.082
  153    HG   LEU  20           HG       LEU  20   0.308   0.176   1.012
  154   1HD1  LEU  20          HD11      LEU  20  -0.657   1.906  -1.089
  155   2HD1  LEU  20          HD12      LEU  20   0.734   0.825  -1.087
  156   3HD1  LEU  20          HD13      LEU  20   0.897   2.474  -0.494
  157   1HD2  LEU  20          HD21      LEU  20   0.530   3.081   1.467
  158   2HD2  LEU  20          HD22      LEU  20   1.445   1.753   2.162
  159   3HD2  LEU  20          HD23      LEU  20  -0.175   2.118   2.755
  160    H    VAL  21           HN       VAL  21  -0.414  -1.272  -0.446
  161    HA   VAL  21           HA       VAL  21   0.247  -0.192  -2.883
  162    HB   VAL  21           HB       VAL  21   1.801  -1.567  -1.690
  163   1HG1  VAL  21          HG11      VAL  21   0.581  -3.186  -0.594
  164   2HG1  VAL  21          HG12      VAL  21   1.462  -4.097  -1.808
  165   3HG1  VAL  21          HG13      VAL  21  -0.229  -3.717  -2.061
  166   1HG2  VAL  21          HG21      VAL  21   2.677  -2.864  -3.516
  167   2HG2  VAL  21          HG22      VAL  21   1.990  -1.363  -4.132
  168   3HG2  VAL  21          HG23      VAL  21   1.095  -2.871  -4.293
  169    H    GLN  22           HN       GLN  22  -1.785  -3.076  -2.233
  170    HA   GLN  22           HA       GLN  22  -2.181  -3.769  -4.892
  171   1HB   GLN  22          HB2       GLN  22  -4.329  -3.990  -2.800
  172   2HB   GLN  22          HB1       GLN  22  -4.079  -5.029  -4.197
  173   1HG   GLN  22          HG2       GLN  22  -1.835  -5.620  -3.116
  174   2HG   GLN  22          HG1       GLN  22  -2.505  -4.895  -1.655
  175   1HE2  GLN  22          HE21      GLN  22  -2.743  -6.670  -0.420
  176   2HE2  GLN  22          HE22      GLN  22  -3.762  -8.008  -0.816
  177    H    GLN  23           HN       GLN  23  -4.654  -2.049  -3.012
  178    HA   GLN  23           HA       GLN  23  -6.210  -1.310  -5.166
  179   1HB   GLN  23          HB2       GLN  23  -5.899  -0.444  -2.410
  180   2HB   GLN  23          HB1       GLN  23  -6.384   0.880  -3.459
  181   1HG   GLN  23          HG2       GLN  23  -8.304  -0.240  -2.463
  182   2HG   GLN  23          HG1       GLN  23  -8.301  -0.388  -4.220
  183   1HE2  GLN  23          HE21      GLN  23  -8.655  -2.019  -1.350
  184   2HE2  GLN  23          HE22      GLN  23  -8.456  -3.635  -1.927
  185    H    PHE  24           HN       PHE  24  -3.545   0.524  -3.729
  186    HA   PHE  24           HA       PHE  24  -3.694   2.714  -5.350
  187   1HB   PHE  24          HB2       PHE  24  -1.601   1.654  -3.596
  188   2HB   PHE  24          HB1       PHE  24  -1.097   2.833  -4.811
  189    HD1  PHE  24           HD1      PHE  24  -2.836   4.798  -5.151
  190    HD2  PHE  24           HD2      PHE  24  -2.375   2.529  -1.594
  191    HE1  PHE  24           HE1      PHE  24  -3.995   6.558  -3.898
  192    HE2  PHE  24           HE2      PHE  24  -3.517   4.291  -0.339
  193    HZ   PHE  24           HZ       PHE  24  -4.354   6.287  -1.487
  194    H    ALA  25           HN       ALA  25  -1.868  -0.229  -6.061
  195    HA   ALA  25           HA       ALA  25  -0.522   0.574  -8.322
  196   1HB   ALA  25          HB1       ALA  25  -0.271  -1.643  -8.769
  197   2HB   ALA  25          HB2       ALA  25  -1.998  -1.967  -8.632
  198   3HB   ALA  25          HB3       ALA  25  -1.005  -1.851  -7.180
  199    H    ASP  26           HN       ASP  26  -3.875  -0.424  -7.860
  200    HA   ASP  26           HA       ASP  26  -4.768   0.145 -10.504
  201   1HB   ASP  26          HB2       ASP  26  -5.902  -0.929  -8.188
  202   2HB   ASP  26          HB1       ASP  26  -6.793   0.568  -8.449
  203    H    ALA  27           HN       ALA  27  -4.824   2.001  -7.455
  204    HA   ALA  27           HA       ALA  27  -6.082   4.325  -8.179
  205   1HB   ALA  27          HB1       ALA  27  -3.939   5.196  -6.643
  206   2HB   ALA  27          HB2       ALA  27  -4.301   3.562  -6.110
  207   3HB   ALA  27          HB3       ALA  27  -5.565   4.779  -6.108
  208    H    GLY  28           HN       GLY  28  -2.570   4.233  -7.925
  209   1HA   GLY  28          HA2       GLY  28  -1.705   4.888 -10.457
  210   2HA   GLY  28          HA1       GLY  28  -2.122   6.427  -9.702
  211    H    ILE  29           HN       ILE  29  -0.790   3.476  -8.382
  212    HA   ILE  29           HA       ILE  29   1.730   4.768  -7.665
  213    HB   ILE  29           HB       ILE  29   0.436   3.063  -5.595
  214   1HG1  ILE  29          HG12      ILE  29  -1.278   4.753  -6.289
  215   2HG1  ILE  29          HG11      ILE  29  -0.742   4.927  -4.626
  216   1HG2  ILE  29          HG21      ILE  29   2.387   3.618  -4.664
  217   2HG2  ILE  29          HG22      ILE  29   1.671   5.208  -4.397
  218   3HG2  ILE  29          HG23      ILE  29   2.668   4.918  -5.822
  219   1HD1  ILE  29          HD11      ILE  29   0.878   6.531  -6.365
  220   2HD1  ILE  29          HD12      ILE  29  -0.111   7.014  -4.988
  221   3HD1  ILE  29          HD13      ILE  29  -0.833   6.892  -6.592
  222    H    ARG  30           HN       ARG  30   3.042   2.821  -6.361
  223    HA   ARG  30           HA       ARG  30   3.450   0.934  -8.473
  224   1HB   ARG  30          HB2       ARG  30   4.684   1.112  -5.721
  225   2HB   ARG  30          HB1       ARG  30   5.233   0.041  -7.003
  226   1HG   ARG  30          HG2       ARG  30   6.620   1.678  -7.593
  227   2HG   ARG  30          HG1       ARG  30   5.198   2.512  -8.219
  228   1HD   ARG  30          HD2       ARG  30   4.894   3.571  -6.005
  229   2HD   ARG  30          HD1       ARG  30   6.385   2.802  -5.462
  230    HE   ARG  30           HE       ARG  30   7.232   4.122  -7.618
  231   1HH1  ARG  30          HH11      ARG  30   5.220   5.161  -4.959
  232   2HH1  ARG  30          HH12      ARG  30   5.736   6.811  -5.052
  233   1HH2  ARG  30          HH21      ARG  30   7.907   6.292  -7.740
  234   2HH2  ARG  30          HH22      ARG  30   7.259   7.454  -6.631
  235    H    LYS  31           HN       LYS  31   3.347  -1.315  -8.330
  236    HA   LYS  31           HA       LYS  31   0.972  -2.261  -7.022
  237   1HB   LYS  31          HB2       LYS  31   2.005  -2.748  -9.437
  238   2HB   LYS  31          HB1       LYS  31   2.664  -4.131  -8.573
  239   1HG   LYS  31          HG2       LYS  31   0.704  -5.175  -8.563
  240   2HG   LYS  31          HG1       LYS  31  -0.147  -3.737  -7.997
  241   1HD   LYS  31          HD2       LYS  31  -1.050  -4.321 -10.130
  242   2HD   LYS  31          HD1       LYS  31  -0.069  -2.871 -10.344
  243   1HE   LYS  31          HE2       LYS  31   0.697  -4.095 -12.106
  244   2HE   LYS  31          HE1       LYS  31   1.810  -4.661 -10.862
  245   1HZ   LYS  31          HZ1       LYS  31  -0.702  -6.116 -11.166
  246   2HZ   LYS  31          HZ2       LYS  31   0.843  -6.692 -10.792
  247   3HZ   LYS  31          HZ3       LYS  31   0.449  -6.310 -12.391
  248    H    SER  32           HN       SER  32   0.800  -4.342  -6.053
  249    HA   SER  32           HA       SER  32   2.758  -4.671  -3.947
  250   1HB   SER  32          HB2       SER  32   1.062  -5.681  -2.721
  251   2HB   SER  32          HB1       SER  32   0.172  -4.540  -3.728
  252    HG   SER  32           HG       SER  32  -0.447  -6.199  -5.052
  253    H    ALA  33           HN       ALA  33   2.901  -6.943  -3.053
  254    HA   ALA  33           HA       ALA  33   3.358  -9.183  -3.242
  255   1HB   ALA  33          HB1       ALA  33   1.903  -9.109  -5.369
  256   2HB   ALA  33          HB2       ALA  33   3.086 -10.406  -5.202
  257   3HB   ALA  33          HB3       ALA  33   3.438  -9.020  -6.233
  258    H    ASP  34           HN       ASP  34   5.267  -7.513  -2.554
  259    HA   ASP  34           HA       ASP  34   7.540  -7.190  -2.544
  260   1HB   ASP  34          HB2       ASP  34   7.234  -9.835  -2.823
  261   2HB   ASP  34          HB1       ASP  34   8.030  -9.500  -4.358
  262    H    ASP  35           HN       ASP  35   7.764  -5.332  -3.641
  263    HA   ASP  35           HA       ASP  35   9.218  -5.188  -5.987
  264   1HB   ASP  35          HB2       ASP  35   7.207  -6.140  -7.103
  265   2HB   ASP  35          HB1       ASP  35   6.270  -4.754  -6.558
  266    H    SER  36           HN       SER  36   6.696  -2.896  -6.379
  267    HA   SER  36           HA       SER  36   8.118  -1.083  -4.543
  268   1HB   SER  36          HB2       SER  36   7.055  -0.510  -7.312
  269   2HB   SER  36          HB1       SER  36   7.479   0.766  -6.170
  270    HG   SER  36           HG       SER  36   9.243  -1.291  -7.012
  271    H    VAL  37           HN       VAL  37   6.970   0.179  -3.229
  272    HA   VAL  37           HA       VAL  37   4.049   0.351  -3.462
  273    HB   VAL  37           HB       VAL  37   4.547  -1.533  -1.951
  274   1HG1  VAL  37          HG11      VAL  37   5.649  -1.157   0.186
  275   2HG1  VAL  37          HG12      VAL  37   5.937   0.524  -0.258
  276   3HG1  VAL  37          HG13      VAL  37   6.725  -0.769  -1.156
  277   1HG2  VAL  37          HG21      VAL  37   3.029  -0.982  -0.273
  278   2HG2  VAL  37          HG22      VAL  37   2.606   0.110  -1.588
  279   3HG2  VAL  37          HG23      VAL  37   3.557   0.698  -0.224
  280    H    SER  38           HN       SER  38   3.154   1.856  -1.749
  281    HA   SER  38           HA       SER  38   5.004   4.068  -1.218
  282   1HB   SER  38          HB2       SER  38   3.018   4.382  -2.907
  283   2HB   SER  38          HB1       SER  38   2.038   4.475  -1.444
  284    HG   SER  38           HG       SER  38   4.352   6.055  -1.831
  285    H    ALA  39           HN       ALA  39   5.277   4.385   0.978
  286    HA   ALA  39           HA       ALA  39   3.730   2.899   2.862
  287   1HB   ALA  39          HB1       ALA  39   6.289   3.608   2.863
  288   2HB   ALA  39          HB2       ALA  39   5.392   3.314   4.353
  289   3HB   ALA  39          HB3       ALA  39   5.644   4.965   3.786
  290    H    GLN  40           HN       GLN  40   2.372   3.660   4.438
  291    HA   GLN  40           HA       GLN  40   0.843   5.002   5.448
  292   1HB   GLN  40          HB2       GLN  40   3.017   6.827   4.781
  293   2HB   GLN  40          HB1       GLN  40   1.455   7.633   4.773
  294   1HG   GLN  40          HG2       GLN  40   1.590   5.988   7.082
  295   2HG   GLN  40          HG1       GLN  40   3.077   6.929   6.983
  296   1HE2  GLN  40          HE21      GLN  40   1.108   7.219   8.976
  297   2HE2  GLN  40          HE22      GLN  40   0.431   8.802   8.835
  298    H    GLU  41           HN       GLU  41   1.073   4.492   2.324
  299    HA   GLU  41           HA       GLU  41  -0.832   6.403   1.360
  300   1HB   GLU  41          HB2       GLU  41   0.819   4.332   0.210
  301   2HB   GLU  41          HB1       GLU  41  -0.837   4.187  -0.365
  302   1HG   GLU  41          HG2       GLU  41  -0.476   6.834  -0.639
  303   2HG   GLU  41          HG1       GLU  41   1.177   6.269  -0.872
  304    H    LYS  42           HN       LYS  42  -0.973   3.756   3.392
  305    HA   LYS  42           HA       LYS  42  -2.962   2.106   3.034
  306   1HB   LYS  42          HB2       LYS  42  -3.690   2.362   5.329
  307   2HB   LYS  42          HB1       LYS  42  -1.945   2.563   5.231
  308   1HG   LYS  42          HG2       LYS  42  -2.113   4.913   5.494
  309   2HG   LYS  42          HG1       LYS  42  -3.863   4.876   5.277
  310   1HD   LYS  42          HD2       LYS  42  -3.716   3.247   7.360
  311   2HD   LYS  42          HD1       LYS  42  -2.219   4.139   7.641
  312   1HE   LYS  42          HE2       LYS  42  -3.645   6.246   7.340
  313   2HE   LYS  42          HE1       LYS  42  -5.034   5.178   7.538
  314   1HZ   LYS  42          HZ1       LYS  42  -2.951   4.921   9.543
  315   2HZ   LYS  42          HZ2       LYS  42  -4.633   4.920   9.722
  316   3HZ   LYS  42          HZ3       LYS  42  -3.801   6.384   9.562
  317    H    GLN  43           HN       GLN  43  -3.517   5.572   3.041
  318    HA   GLN  43           HA       GLN  43  -6.203   5.844   3.363
  319   1HB   GLN  43          HB2       GLN  43  -4.553   7.176   1.208
  320   2HB   GLN  43          HB1       GLN  43  -6.096   7.751   1.826
  321   1HG   GLN  43          HG2       GLN  43  -3.503   7.553   3.337
  322   2HG   GLN  43          HG1       GLN  43  -4.318   9.024   2.806
  323   1HE2  GLN  43          HE21      GLN  43  -3.613   7.476   5.462
  324   2HE2  GLN  43          HE22      GLN  43  -5.027   7.748   6.418
  325    H    THR  44           HN       THR  44  -4.660   3.993   0.906
  326    HA   THR  44           HA       THR  44  -6.291   4.085  -1.264
  327    HB   THR  44           HB       THR  44  -4.293   2.419  -0.358
  328    HG1  THR  44           HG1      THR  44  -4.384   1.584  -2.420
  329   1HG2  THR  44          HG21      THR  44  -5.088   0.125  -0.739
  330   2HG2  THR  44          HG22      THR  44  -6.746   0.716  -0.748
  331   3HG2  THR  44          HG23      THR  44  -5.772   0.847   0.716
  332    H    LEU  45           HN       LEU  45  -6.862   2.162   1.688
  333    HA   LEU  45           HA       LEU  45  -9.159   0.849   0.967
  334   1HB   LEU  45          HB2       LEU  45  -8.608   2.095   3.660
  335   2HB   LEU  45          HB1       LEU  45  -9.744   0.799   3.340
  336    HG   LEU  45           HG       LEU  45  -6.804   0.502   2.775
  337   1HD1  LEU  45          HD11      LEU  45  -6.315  -0.027   4.911
  338   2HD1  LEU  45          HD12      LEU  45  -7.915  -0.698   5.226
  339   3HD1  LEU  45          HD13      LEU  45  -7.668   1.048   5.261
  340   1HD2  LEU  45          HD21      LEU  45  -7.688  -1.937   3.393
  341   2HD2  LEU  45          HD22      LEU  45  -7.767  -1.281   1.757
  342   3HD2  LEU  45          HD23      LEU  45  -9.194  -1.245   2.792
  343    H    ILE  46           HN       ILE  46  -8.958   4.110   2.395
  344    HA   ILE  46           HA       ILE  46 -11.757   4.575   2.305
  345    HB   ILE  46           HB       ILE  46  -9.581   6.662   2.400
  346   1HG1  ILE  46          HG12      ILE  46 -10.937   5.700   4.869
  347   2HG1  ILE  46          HG11      ILE  46  -9.706   4.653   4.168
  348   1HG2  ILE  46          HG21      ILE  46 -11.165   8.181   2.891
  349   2HG2  ILE  46          HG22      ILE  46 -12.113   7.040   3.845
  350   3HG2  ILE  46          HG23      ILE  46 -12.241   7.038   2.086
  351   1HD1  ILE  46          HD11      ILE  46  -8.441   5.881   5.607
  352   2HD1  ILE  46          HD12      ILE  46  -9.435   7.326   5.427
  353   3HD1  ILE  46          HD13      ILE  46  -8.302   6.872   4.154
  354    H    ASP  47           HN       ASP  47  -9.125   5.954   0.313
  355    HA   ASP  47           HA       ASP  47 -10.695   7.411  -1.438
  356   1HB   ASP  47          HB2       ASP  47  -8.002   6.117  -1.742
  357   2HB   ASP  47          HB1       ASP  47  -8.734   7.009  -3.073
  358    H    HIS  48           HN       HIS  48  -9.166   4.332  -2.354
  359    HA   HIS  48           HA       HIS  48 -10.524   3.861  -4.686
  360   1HB   HIS  48          HB2       HIS  48  -9.507   1.881  -2.644
  361   2HB   HIS  48          HB1       HIS  48 -10.084   1.417  -4.239
  362    HD1  HIS  48           HD1      HIS  48  -7.400   3.640  -2.714
  363    HD2  HIS  48           HD2      HIS  48  -8.124   1.381  -6.123
  364    HE1  HIS  48           HE1      HIS  48  -5.249   3.678  -4.029
  365    HE2  HIS  48           HE2      HIS  48  -5.738   2.321  -6.080
  366    H    LEU  49           HN       LEU  49 -11.468   2.723  -1.437
  367    HA   LEU  49           HA       LEU  49 -13.761   1.334  -2.195
  368   1HB   LEU  49          HB2       LEU  49 -12.751   1.227   0.045
  369   2HB   LEU  49          HB1       LEU  49 -13.310   2.858   0.369
  370    HG   LEU  49           HG       LEU  49 -15.414   0.954  -0.431
  371   1HD1  LEU  49          HD11      LEU  49 -13.666  -0.218   1.157
  372   2HD1  LEU  49          HD12      LEU  49 -15.402  -0.419   1.391
  373   3HD1  LEU  49          HD13      LEU  49 -14.506   0.725   2.389
  374   1HD2  LEU  49          HD21      LEU  49 -16.277   2.973   0.229
  375   2HD2  LEU  49          HD22      LEU  49 -15.036   3.227   1.457
  376   3HD2  LEU  49          HD23      LEU  49 -16.345   2.081   1.749
  377    H    ASN  50           HN       ASN  50 -13.860   4.519  -0.595
  378    HA   ASN  50           HA       ASN  50 -16.505   5.071  -1.378
  379   1HB   ASN  50          HB2       ASN  50 -14.269   6.634  -0.187
  380   2HB   ASN  50          HB1       ASN  50 -15.600   7.540  -0.900
  381   1HD2  ASN  50          HD21      ASN  50 -17.480   7.699   0.172
  382   2HD2  ASN  50          HD22      ASN  50 -17.801   6.960   1.700
  Start of MODEL    4
    1   1H    THR   2          HT1       THR   2   9.706   8.314   1.377
    2   2H    THR   2          HT2       THR   2   8.811   9.757   1.630
    3   3H    THR   2          HT3       THR   2   8.708   8.934   0.128
    4    HA   THR   2           HA       THR   2   7.932   7.687   2.665
    5    HB   THR   2           HB       THR   2   6.642   9.724   2.463
    6    HG1  THR   2           HG1      THR   2   5.366   8.061   3.114
    7   1HG2  THR   2          HG21      THR   2   6.250  10.662   0.504
    8   2HG2  THR   2          HG22      THR   2   5.092   9.376   0.166
    9   3HG2  THR   2          HG23      THR   2   6.770   9.207  -0.348
   10    H    ASP   3           HN       ASP   3   9.276   6.858   0.078
   11    HA   ASP   3           HA       ASP   3   7.275   4.849  -0.722
   12   1HB   ASP   3          HB2       ASP   3   8.286   4.839  -2.965
   13   2HB   ASP   3          HB1       ASP   3   7.665   6.433  -2.549
   14    H    VAL   4           HN       VAL   4   7.878   2.758  -0.671
   15    HA   VAL   4           HA       VAL   4  10.709   2.073  -0.470
   16    HB   VAL   4           HB       VAL   4   8.940   0.656   1.454
   17   1HG1  VAL   4          HG11      VAL   4  11.016  -0.217   1.638
   18   2HG1  VAL   4          HG12      VAL   4  11.234   1.135   2.749
   19   3HG1  VAL   4          HG13      VAL   4  11.806   1.259   1.085
   20   1HG2  VAL   4          HG21      VAL   4   9.200   2.310   3.190
   21   2HG2  VAL   4          HG22      VAL   4   8.385   3.047   1.810
   22   3HG2  VAL   4          HG23      VAL   4  10.096   3.367   2.099
   23    H    THR   5           HN       THR   5  10.820  -0.490  -0.347
   24    HA   THR   5           HA       THR   5   9.289  -1.365  -2.631
   25    HB   THR   5           HB       THR   5  10.822  -3.015  -2.925
   26    HG1  THR   5           HG1      THR   5  11.092  -3.147  -0.107
   27   1HG2  THR   5          HG21      THR   5  12.864  -2.116  -2.794
   28   2HG2  THR   5          HG22      THR   5  12.738  -1.815  -1.060
   29   3HG2  THR   5          HG23      THR   5  11.997  -0.698  -2.205
   30    H    ILE   6           HN       ILE   6   7.526  -2.443  -2.616
   31    HA   ILE   6           HA       ILE   6   6.021  -3.013  -0.357
   32    HB   ILE   6           HB       ILE   6   5.196  -2.803  -2.750
   33   1HG1  ILE   6          HG12      ILE   6   4.105  -3.838  -0.482
   34   2HG1  ILE   6          HG11      ILE   6   3.228  -3.525  -1.960
   35   1HG2  ILE   6          HG21      ILE   6   6.188  -5.610  -2.827
   36   2HG2  ILE   6          HG22      ILE   6   6.345  -4.327  -4.024
   37   3HG2  ILE   6          HG23      ILE   6   4.792  -5.122  -3.782
   38   1HD1  ILE   6          HD11      ILE   6   4.384  -6.157  -1.103
   39   2HD1  ILE   6          HD12      ILE   6   3.576  -5.859  -2.640
   40   3HD1  ILE   6          HD13      ILE   6   2.678  -5.710  -1.130
   41    H    LYS   7           HN       LYS   7   5.317  -4.869   0.581
   42    HA   LYS   7           HA       LYS   7   5.344  -7.167   1.082
   43   1HB   LYS   7          HB2       LYS   7   6.989  -7.479  -0.939
   44   2HB   LYS   7          HB1       LYS   7   8.236  -7.421   0.296
   45   1HG   LYS   7          HG2       LYS   7   5.919  -9.280   0.593
   46   2HG   LYS   7          HG1       LYS   7   7.268  -9.701  -0.464
   47   1HD   LYS   7          HD2       LYS   7   8.788  -9.766   1.302
   48   2HD   LYS   7          HD1       LYS   7   7.748  -8.809   2.357
   49   1HE   LYS   7          HE2       LYS   7   6.562 -10.603   3.033
   50   2HE   LYS   7          HE1       LYS   7   6.602 -11.357   1.440
   51   1HZ   LYS   7          HZ1       LYS   7   7.994 -12.771   2.461
   52   2HZ   LYS   7          HZ2       LYS   7   8.402 -11.682   3.688
   53   3HZ   LYS   7          HZ3       LYS   7   9.157 -11.575   2.178
   54    H    THR   8           HN       THR   8   8.707  -5.972   1.506
   55    HA   THR   8           HA       THR   8   8.828  -6.656   4.240
   56    HB   THR   8           HB       THR   8  10.324  -4.299   3.109
   57    HG1  THR   8           HG1      THR   8  10.733  -7.029   2.498
   58   1HG2  THR   8          HG21      THR   8  12.214  -5.460   4.350
   59   2HG2  THR   8          HG22      THR   8  10.956  -6.437   5.106
   60   3HG2  THR   8          HG23      THR   8  10.960  -4.686   5.319
   61    H    LEU   9           HN       LEU   9   7.980  -3.751   2.494
   62    HA   LEU   9           HA       LEU   9   7.266  -2.167   4.759
   63   1HB   LEU   9          HB2       LEU   9   7.857  -1.444   2.308
   64   2HB   LEU   9          HB1       LEU   9   6.151  -1.725   2.016
   65    HG   LEU   9           HG       LEU   9   5.591  -0.081   3.771
   66   1HD1  LEU   9          HD11      LEU   9   8.580   0.225   3.913
   67   2HD1  LEU   9          HD12      LEU   9   7.471  -0.204   5.215
   68   3HD1  LEU   9          HD13      LEU   9   7.448   1.424   4.536
   69   1HD2  LEU   9          HD21      LEU   9   6.904   1.872   2.448
   70   2HD2  LEU   9          HD22      LEU   9   5.458   1.067   1.840
   71   3HD2  LEU   9          HD23      LEU   9   7.052   0.544   1.298
   72    H    ALA  10           HN       ALA  10   5.572  -4.092   2.343
   73    HA   ALA  10           HA       ALA  10   2.942  -3.700   2.891
   74   1HB   ALA  10          HB1       ALA  10   2.929  -6.368   2.525
   75   2HB   ALA  10          HB2       ALA  10   4.524  -5.959   1.927
   76   3HB   ALA  10          HB3       ALA  10   3.108  -5.196   1.220
   77    H    ALA  11           HN       ALA  11   5.112  -5.999   4.505
   78    HA   ALA  11           HA       ALA  11   3.230  -6.850   6.455
   79   1HB   ALA  11          HB1       ALA  11   5.377  -8.036   5.717
   80   2HB   ALA  11          HB2       ALA  11   5.000  -8.044   7.440
   81   3HB   ALA  11          HB3       ALA  11   6.215  -6.933   6.808
   82    H    GLU  12           HN       GLU  12   5.927  -4.570   6.463
   83    HA   GLU  12           HA       GLU  12   6.274  -3.621   8.871
   84   1HB   GLU  12          HB2       GLU  12   6.914  -2.581   6.585
   85   2HB   GLU  12          HB1       GLU  12   5.495  -1.571   6.830
   86   1HG   GLU  12          HG2       GLU  12   7.539  -1.785   8.988
   87   2HG   GLU  12          HG1       GLU  12   7.847  -0.758   7.590
   88    H    ARG  13           HN       ARG  13   3.547  -2.093   7.040
   89    HA   ARG  13           HA       ARG  13   2.460  -1.104   9.471
   90   1HB   ARG  13          HB2       ARG  13   1.173  -1.314   6.766
   91   2HB   ARG  13          HB1       ARG  13   0.526  -0.411   8.126
   92   1HG   ARG  13          HG2       ARG  13   3.267   0.321   7.470
   93   2HG   ARG  13          HG1       ARG  13   2.128   0.602   6.153
   94   1HD   ARG  13          HD2       ARG  13   2.458   2.522   7.758
   95   2HD   ARG  13          HD1       ARG  13   0.791   2.026   7.475
   96    HE   ARG  13           HE       ARG  13   1.614   0.627   9.697
   97   1HH1  ARG  13          HH11      ARG  13   1.325   3.989   8.804
   98   2HH1  ARG  13          HH12      ARG  13   1.022   4.521  10.423
   99   1HH2  ARG  13          HH21      ARG  13   1.214   1.325  11.826
  100   2HH2  ARG  13          HH22      ARG  13   0.959   3.010  12.140
  101    H    GLN  14           HN       GLN  14   1.531  -3.652   7.315
  102    HA   GLN  14           HA       GLN  14   0.541  -5.690   7.741
  103   1HB   GLN  14          HB2       GLN  14   1.529  -5.394  10.109
  104   2HB   GLN  14          HB1       GLN  14  -0.072  -4.824  10.560
  105   1HG   GLN  14          HG2       GLN  14  -0.458  -6.973  11.025
  106   2HG   GLN  14          HG1       GLN  14  -0.691  -7.127   9.285
  107   1HE2  GLN  14          HE21      GLN  14  -0.117  -9.381   9.786
  108   2HE2  GLN  14          HE22      GLN  14   1.555  -9.816   9.802
  109    H    THR  15           HN       THR  15  -1.304  -5.807   6.669
  110    HA   THR  15           HA       THR  15  -3.481  -5.510   6.069
  111    HB   THR  15           HB       THR  15  -4.058  -4.356   8.786
  112    HG1  THR  15           HG1      THR  15  -3.268  -6.101   9.615
  113   1HG2  THR  15          HG21      THR  15  -6.029  -6.025   8.448
  114   2HG2  THR  15          HG22      THR  15  -5.599  -5.873   6.744
  115   3HG2  THR  15          HG23      THR  15  -6.052  -4.442   7.670
  116    H    SER  16           HN       SER  16  -1.361  -3.297   6.161
  117    HA   SER  16           HA       SER  16  -3.213  -1.105   5.573
  118   1HB   SER  16          HB2       SER  16  -1.004  -1.153   7.503
  119   2HB   SER  16          HB1       SER  16  -0.965   0.229   6.406
  120    HG   SER  16           HG       SER  16  -2.816   0.950   7.215
  121    H    VAL  17           HN       VAL  17   0.267  -0.595   5.327
  122    HA   VAL  17           HA       VAL  17   0.129   0.207   2.749
  123    HB   VAL  17           HB       VAL  17   1.958   0.873   3.988
  124   1HG1  VAL  17          HG11      VAL  17   3.410  -0.491   5.134
  125   2HG1  VAL  17          HG12      VAL  17   3.312  -1.785   3.939
  126   3HG1  VAL  17          HG13      VAL  17   2.012  -1.568   5.108
  127   1HG2  VAL  17          HG21      VAL  17   3.557   0.804   2.343
  128   2HG2  VAL  17          HG22      VAL  17   2.154   0.249   1.430
  129   3HG2  VAL  17          HG23      VAL  17   3.335  -0.916   2.026
  130    H    GLU  18           HN       GLU  18   0.964  -3.204   3.675
  131    HA   GLU  18           HA       GLU  18   1.463  -4.121   1.105
  132   1HB   GLU  18          HB2       GLU  18   1.400  -5.506   3.252
  133   2HB   GLU  18          HB1       GLU  18  -0.342  -5.568   3.057
  134   1HG   GLU  18          HG2       GLU  18  -0.172  -6.802   1.047
  135   2HG   GLU  18          HG1       GLU  18   1.567  -6.524   0.945
  136    H    ARG  19           HN       ARG  19  -1.635  -3.721   2.742
  137    HA   ARG  19           HA       ARG  19  -3.320  -4.393   0.634
  138   1HB   ARG  19          HB2       ARG  19  -3.699  -2.581   2.995
  139   2HB   ARG  19          HB1       ARG  19  -4.975  -2.834   1.817
  140   1HG   ARG  19          HG2       ARG  19  -3.824  -5.322   2.795
  141   2HG   ARG  19          HG1       ARG  19  -4.531  -4.332   4.072
  142   1HD   ARG  19          HD2       ARG  19  -6.381  -4.202   2.010
  143   2HD   ARG  19          HD1       ARG  19  -5.825  -5.874   1.983
  144    HE   ARG  19           HE       ARG  19  -7.459  -4.634   3.976
  145   1HH1  ARG  19          HH11      ARG  19  -5.111  -7.155   3.417
  146   2HH1  ARG  19          HH12      ARG  19  -5.647  -8.121   4.750
  147   1HH2  ARG  19          HH21      ARG  19  -8.165  -5.904   5.728
  148   2HH2  ARG  19          HH22      ARG  19  -7.382  -7.412   6.062
  149    H    LEU  20           HN       LEU  20  -1.930  -1.379   1.583
  150    HA   LEU  20           HA       LEU  20  -3.147   0.363  -0.202
  151   1HB   LEU  20          HB2       LEU  20  -0.260   0.550   0.612
  152   2HB   LEU  20          HB1       LEU  20  -1.310   1.859   0.108
  153    HG   LEU  20           HG       LEU  20  -1.596   0.256   2.617
  154   1HD1  LEU  20          HD11      LEU  20  -0.860   2.244   3.768
  155   2HD1  LEU  20          HD12      LEU  20  -0.728   3.097   2.235
  156   3HD1  LEU  20          HD13      LEU  20   0.355   1.766   2.584
  157   1HD2  LEU  20          HD21      LEU  20  -3.059   2.783   1.988
  158   2HD2  LEU  20          HD22      LEU  20  -3.437   1.546   3.187
  159   3HD2  LEU  20          HD23      LEU  20  -3.688   1.220   1.475
  160    H    VAL  21           HN       VAL  21  -0.088  -1.363  -0.655
  161    HA   VAL  21           HA       VAL  21   0.547  -0.411  -3.110
  162    HB   VAL  21           HB       VAL  21   1.939  -1.908  -1.681
  163   1HG1  VAL  21          HG11      VAL  21   1.688  -4.381  -2.616
  164   2HG1  VAL  21          HG12      VAL  21  -0.002  -3.909  -2.580
  165   3HG1  VAL  21          HG13      VAL  21   0.969  -3.826  -1.117
  166   1HG2  VAL  21          HG21      VAL  21   3.037  -1.466  -3.586
  167   2HG2  VAL  21          HG22      VAL  21   1.698  -1.989  -4.606
  168   3HG2  VAL  21          HG23      VAL  21   2.762  -3.182  -3.863
  169    H    GLN  22           HN       GLN  22  -1.613  -3.190  -2.432
  170    HA   GLN  22           HA       GLN  22  -2.027  -3.773  -5.157
  171   1HB   GLN  22          HB2       GLN  22  -2.652  -5.215  -3.161
  172   2HB   GLN  22          HB1       GLN  22  -4.085  -4.208  -3.012
  173   1HG   GLN  22          HG2       GLN  22  -4.044  -4.965  -5.682
  174   2HG   GLN  22          HG1       GLN  22  -3.551  -6.410  -4.799
  175   1HE2  GLN  22          HE21      GLN  22  -5.516  -7.387  -5.451
  176   2HE2  GLN  22          HE22      GLN  22  -7.000  -7.017  -4.646
  177    H    GLN  23           HN       GLN  23  -4.495  -2.257  -3.091
  178    HA   GLN  23           HA       GLN  23  -6.142  -1.422  -5.126
  179   1HB   GLN  23          HB2       GLN  23  -5.614   0.210  -2.644
  180   2HB   GLN  23          HB1       GLN  23  -7.094   0.150  -3.587
  181   1HG   GLN  23          HG2       GLN  23  -6.718  -2.473  -2.871
  182   2HG   GLN  23          HG1       GLN  23  -6.164  -1.587  -1.451
  183   1HE2  GLN  23          HE21      GLN  23  -7.759  -1.745  -0.031
  184   2HE2  GLN  23          HE22      GLN  23  -9.413  -1.349  -0.327
  185    H    PHE  24           HN       PHE  24  -3.580   0.500  -3.583
  186    HA   PHE  24           HA       PHE  24  -3.780   2.733  -5.133
  187   1HB   PHE  24          HB2       PHE  24  -1.664   1.644  -3.432
  188   2HB   PHE  24          HB1       PHE  24  -1.154   2.828  -4.629
  189    HD1  PHE  24           HD1      PHE  24  -2.279   2.547  -1.392
  190    HD2  PHE  24           HD2      PHE  24  -2.970   4.768  -4.940
  191    HE1  PHE  24           HE1      PHE  24  -3.400   4.296  -0.085
  192    HE2  PHE  24           HE2      PHE  24  -4.088   6.522  -3.646
  193    HZ   PHE  24           HZ       PHE  24  -4.334   6.260  -1.227
  194    H    ALA  25           HN       ALA  25  -1.902  -0.144  -5.961
  195    HA   ALA  25           HA       ALA  25  -0.539   0.742  -8.173
  196   1HB   ALA  25          HB1       ALA  25  -1.079  -1.732  -7.131
  197   2HB   ALA  25          HB2       ALA  25  -0.254  -1.453  -8.664
  198   3HB   ALA  25          HB3       ALA  25  -1.987  -1.782  -8.643
  199    H    ASP  26           HN       ASP  26  -3.900  -0.291  -7.831
  200    HA   ASP  26           HA       ASP  26  -4.726   0.377 -10.472
  201   1HB   ASP  26          HB2       ASP  26  -5.956  -0.582  -8.047
  202   2HB   ASP  26          HB1       ASP  26  -6.922   0.729  -8.720
  203    H    ALA  27           HN       ALA  27  -4.871   2.107  -7.359
  204    HA   ALA  27           HA       ALA  27  -6.111   4.457  -8.041
  205   1HB   ALA  27          HB1       ALA  27  -5.718   4.702  -5.901
  206   2HB   ALA  27          HB2       ALA  27  -4.137   5.331  -6.362
  207   3HB   ALA  27          HB3       ALA  27  -4.325   3.633  -5.956
  208    H    GLY  28           HN       GLY  28  -2.612   4.374  -7.620
  209   1HA   GLY  28          HA2       GLY  28  -1.697   5.173 -10.117
  210   2HA   GLY  28          HA1       GLY  28  -2.082   6.651  -9.237
  211    H    ILE  29           HN       ILE  29  -0.861   3.588  -8.091
  212    HA   ILE  29           HA       ILE  29   1.707   4.745  -7.320
  213    HB   ILE  29           HB       ILE  29   0.356   2.971  -5.342
  214   1HG1  ILE  29          HG12      ILE  29  -1.291   4.762  -5.867
  215   2HG1  ILE  29          HG11      ILE  29  -0.676   4.862  -4.219
  216   1HG2  ILE  29          HG21      ILE  29   2.693   4.682  -5.490
  217   2HG2  ILE  29          HG22      ILE  29   2.321   3.369  -4.373
  218   3HG2  ILE  29          HG23      ILE  29   1.722   4.995  -4.051
  219   1HD1  ILE  29          HD11      ILE  29  -0.804   6.913  -6.049
  220   2HD1  ILE  29          HD12      ILE  29   0.895   6.440  -6.069
  221   3HD1  ILE  29          HD13      ILE  29   0.126   6.902  -4.550
  222    H    ARG  30           HN       ARG  30   2.943   2.679  -6.140
  223    HA   ARG  30           HA       ARG  30   3.327   0.916  -8.354
  224   1HB   ARG  30          HB2       ARG  30   4.516   0.787  -5.579
  225   2HB   ARG  30          HB1       ARG  30   5.107  -0.061  -7.001
  226   1HG   ARG  30          HG2       ARG  30   6.372   1.672  -7.533
  227   2HG   ARG  30          HG1       ARG  30   4.947   2.708  -7.620
  228   1HD   ARG  30          HD2       ARG  30   5.138   2.820  -5.055
  229   2HD   ARG  30          HD1       ARG  30   6.775   2.208  -5.295
  230    HE   ARG  30           HE       ARG  30   5.848   4.860  -5.784
  231   1HH1  ARG  30          HH11      ARG  30   8.138   2.453  -6.852
  232   2HH1  ARG  30          HH12      ARG  30   9.253   3.616  -7.488
  233   1HH2  ARG  30          HH21      ARG  30   7.312   6.390  -6.617
  234   2HH2  ARG  30          HH22      ARG  30   8.784   5.852  -7.354
  235    H    LYS  31           HN       LYS  31   3.228  -1.355  -8.307
  236    HA   LYS  31           HA       LYS  31   0.815  -2.345  -7.089
  237   1HB   LYS  31          HB2       LYS  31   1.960  -2.726  -9.511
  238   2HB   LYS  31          HB1       LYS  31   2.443  -4.202  -8.687
  239   1HG   LYS  31          HG2       LYS  31   0.420  -5.071  -8.923
  240   2HG   LYS  31          HG1       LYS  31  -0.336  -3.650  -8.200
  241   1HD   LYS  31          HD2       LYS  31  -1.266  -3.654 -10.314
  242   2HD   LYS  31          HD1       LYS  31   0.110  -2.571 -10.531
  243   1HE   LYS  31          HE2       LYS  31   0.387  -3.931 -12.347
  244   2HE   LYS  31          HE1       LYS  31   1.343  -4.812 -11.158
  245   1HZ   LYS  31          HZ1       LYS  31  -0.529  -5.954 -12.633
  246   2HZ   LYS  31          HZ2       LYS  31  -1.483  -5.493 -11.315
  247   3HZ   LYS  31          HZ3       LYS  31  -0.140  -6.493 -11.077
  248    H    SER  32           HN       SER  32   0.649  -4.538  -6.295
  249    HA   SER  32           HA       SER  32   2.516  -4.958  -4.127
  250   1HB   SER  32          HB2       SER  32   0.795  -6.060  -3.058
  251   2HB   SER  32          HB1       SER  32  -0.113  -4.975  -4.110
  252    HG   SER  32           HG       SER  32  -0.701  -6.624  -5.341
  253    H    ALA  33           HN       ALA  33   2.718  -7.260  -3.381
  254    HA   ALA  33           HA       ALA  33   3.261  -9.467  -3.679
  255   1HB   ALA  33          HB1       ALA  33   3.213 -10.562  -5.734
  256   2HB   ALA  33          HB2       ALA  33   3.572  -9.089  -6.636
  257   3HB   ALA  33          HB3       ALA  33   1.982  -9.310  -5.906
  258    H    ASP  34           HN       ASP  34   5.038  -7.577  -2.833
  259    HA   ASP  34           HA       ASP  34   7.288  -7.184  -2.635
  260   1HB   ASP  34          HB2       ASP  34   7.172  -9.794  -2.727
  261   2HB   ASP  34          HB1       ASP  34   7.871  -9.592  -4.331
  262    H    ASP  35           HN       ASP  35   7.917  -5.432  -3.680
  263    HA   ASP  35           HA       ASP  35   9.439  -5.284  -5.913
  264   1HB   ASP  35          HB2       ASP  35   7.664  -6.238  -7.289
  265   2HB   ASP  35          HB1       ASP  35   6.532  -5.009  -6.738
  266    H    SER  36           HN       SER  36   6.772  -3.088  -6.390
  267    HA   SER  36           HA       SER  36   8.176  -1.152  -4.665
  268   1HB   SER  36          HB2       SER  36   6.916  -0.676  -7.374
  269   2HB   SER  36          HB1       SER  36   7.443   0.618  -6.298
  270    HG   SER  36           HG       SER  36   8.938  -1.154  -7.817
  271    H    VAL  37           HN       VAL  37   7.021   0.058  -3.304
  272    HA   VAL  37           HA       VAL  37   4.093   0.155  -3.450
  273    HB   VAL  37           HB       VAL  37   4.728  -1.722  -1.939
  274   1HG1  VAL  37          HG11      VAL  37   5.755  -1.238   0.216
  275   2HG1  VAL  37          HG12      VAL  37   5.944   0.449  -0.257
  276   3HG1  VAL  37          HG13      VAL  37   6.830  -0.809  -1.111
  277   1HG2  VAL  37          HG21      VAL  37   3.128  -1.282  -0.331
  278   2HG2  VAL  37          HG22      VAL  37   2.681  -0.176  -1.630
  279   3HG2  VAL  37          HG23      VAL  37   3.565   0.421  -0.225
  280    H    SER  38           HN       SER  38   3.220   1.626  -1.680
  281    HA   SER  38           HA       SER  38   5.059   3.838  -1.117
  282   1HB   SER  38          HB2       SER  38   3.467   4.506  -2.880
  283   2HB   SER  38          HB1       SER  38   2.122   4.052  -1.836
  284    HG   SER  38           HG       SER  38   2.958   5.648  -0.334
  285    H    ALA  39           HN       ALA  39   5.254   4.140   1.047
  286    HA   ALA  39           HA       ALA  39   3.561   2.713   2.870
  287   1HB   ALA  39          HB1       ALA  39   6.154   4.085   2.993
  288   2HB   ALA  39          HB2       ALA  39   5.614   2.602   3.777
  289   3HB   ALA  39          HB3       ALA  39   5.192   4.168   4.469
  290    H    GLN  40           HN       GLN  40   2.350   3.608   4.550
  291    HA   GLN  40           HA       GLN  40   0.862   5.041   5.484
  292   1HB   GLN  40          HB2       GLN  40   3.018   6.911   4.576
  293   2HB   GLN  40          HB1       GLN  40   1.499   7.581   5.159
  294   1HG   GLN  40          HG2       GLN  40   1.784   6.570   7.295
  295   2HG   GLN  40          HG1       GLN  40   3.170   5.638   6.730
  296   1HE2  GLN  40          HE21      GLN  40   4.980   6.382   7.545
  297   2HE2  GLN  40          HE22      GLN  40   5.384   8.043   7.797
  298    H    GLU  41           HN       GLU  41   0.922   4.319   2.491
  299    HA   GLU  41           HA       GLU  41  -0.495   6.386   1.187
  300   1HB   GLU  41          HB2       GLU  41   0.353   3.695   0.590
  301   2HB   GLU  41          HB1       GLU  41  -1.322   3.908   0.111
  302   1HG   GLU  41          HG2       GLU  41   0.998   5.622  -0.747
  303   2HG   GLU  41          HG1       GLU  41   0.194   4.394  -1.722
  304    H    LYS  42           HN       LYS  42  -1.221   4.120   3.636
  305    HA   LYS  42           HA       LYS  42  -3.370   3.162   4.187
  306   1HB   LYS  42          HB2       LYS  42  -2.530   5.722   5.300
  307   2HB   LYS  42          HB1       LYS  42  -4.245   5.404   5.526
  308   1HG   LYS  42          HG2       LYS  42  -2.683   3.063   6.140
  309   2HG   LYS  42          HG1       LYS  42  -2.127   4.457   7.068
  310   1HD   LYS  42          HD2       LYS  42  -4.866   4.656   7.242
  311   2HD   LYS  42          HD1       LYS  42  -4.595   2.914   7.294
  312   1HE   LYS  42          HE2       LYS  42  -3.724   3.006   9.352
  313   2HE   LYS  42          HE1       LYS  42  -2.730   4.408   8.959
  314   1HZ   LYS  42          HZ1       LYS  42  -5.636   4.659   9.437
  315   2HZ   LYS  42          HZ2       LYS  42  -4.454   5.866   9.487
  316   3HZ   LYS  42          HZ3       LYS  42  -4.524   4.701  10.711
  317    H    GLN  43           HN       GLN  43  -3.860   6.473   2.976
  318    HA   GLN  43           HA       GLN  43  -6.513   6.715   2.773
  319   1HB   GLN  43          HB2       GLN  43  -4.265   7.638   1.108
  320   2HB   GLN  43          HB1       GLN  43  -5.845   7.713   0.337
  321   1HG   GLN  43          HG2       GLN  43  -5.715   9.782   1.303
  322   2HG   GLN  43          HG1       GLN  43  -6.564   8.873   2.553
  323   1HE2  GLN  43          HE21      GLN  43  -5.374   8.161   4.388
  324   2HE2  GLN  43          HE22      GLN  43  -3.944   8.994   4.885
  325    H    THR  44           HN       THR  44  -4.678   4.349   0.955
  326    HA   THR  44           HA       THR  44  -6.257   3.909  -1.238
  327    HB   THR  44           HB       THR  44  -4.233   2.489   0.062
  328    HG1  THR  44           HG1      THR  44  -4.155   1.397  -1.898
  329   1HG2  THR  44          HG21      THR  44  -4.952   0.147  -0.112
  330   2HG2  THR  44          HG22      THR  44  -6.612   0.686  -0.346
  331   3HG2  THR  44          HG23      THR  44  -5.786   1.011   1.178
  332    H    LEU  45           HN       LEU  45  -6.793   2.549   2.011
  333    HA   LEU  45           HA       LEU  45  -9.040   1.036   1.478
  334   1HB   LEU  45          HB2       LEU  45  -8.310   2.589   3.954
  335   2HB   LEU  45          HB1       LEU  45  -9.645   1.454   3.884
  336    HG   LEU  45           HG       LEU  45  -6.717   0.813   3.527
  337   1HD1  LEU  45          HD11      LEU  45  -8.537  -0.337   5.598
  338   2HD1  LEU  45          HD12      LEU  45  -7.795   1.243   5.849
  339   3HD1  LEU  45          HD13      LEU  45  -6.781  -0.179   5.610
  340   1HD2  LEU  45          HD21      LEU  45  -9.173  -0.704   2.877
  341   2HD2  LEU  45          HD22      LEU  45  -7.879  -1.585   3.690
  342   3HD2  LEU  45          HD23      LEU  45  -7.566  -0.778   2.153
  343    H    ILE  46           HN       ILE  46  -9.026   4.399   2.683
  344    HA   ILE  46           HA       ILE  46 -11.832   4.700   2.414
  345    HB   ILE  46           HB       ILE  46 -10.257   6.010   3.933
  346   1HG1  ILE  46          HG12      ILE  46 -11.712   8.176   3.461
  347   2HG1  ILE  46          HG11      ILE  46 -12.575   7.074   2.391
  348   1HG2  ILE  46          HG21      ILE  46  -8.693   6.747   2.191
  349   2HG2  ILE  46          HG22      ILE  46  -9.365   8.093   3.110
  350   3HG2  ILE  46          HG23      ILE  46  -9.969   7.744   1.492
  351   1HD1  ILE  46          HD11      ILE  46 -12.379   7.086   5.350
  352   2HD1  ILE  46          HD12      ILE  46 -12.571   5.539   4.525
  353   3HD1  ILE  46          HD13      ILE  46 -13.773   6.811   4.306
  354    H    ASP  47           HN       ASP  47  -9.139   5.950   0.446
  355    HA   ASP  47           HA       ASP  47 -10.654   7.378  -1.398
  356   1HB   ASP  47          HB2       ASP  47  -8.018   7.023  -1.039
  357   2HB   ASP  47          HB1       ASP  47  -8.255   5.977  -2.436
  358    H    HIS  48           HN       HIS  48  -9.128   4.257  -2.173
  359    HA   HIS  48           HA       HIS  48 -10.497   3.707  -4.487
  360   1HB   HIS  48          HB2       HIS  48  -9.442   1.800  -2.398
  361   2HB   HIS  48          HB1       HIS  48 -10.025   1.285  -3.975
  362    HD1  HIS  48           HD1      HIS  48  -7.343   3.533  -2.504
  363    HD2  HIS  48           HD2      HIS  48  -8.114   1.290  -5.912
  364    HE1  HIS  48           HE1      HIS  48  -5.214   3.602  -3.859
  365    HE2  HIS  48           HE2      HIS  48  -5.748   2.298  -5.938
  366    H    LEU  49           HN       LEU  49 -11.398   2.629  -1.207
  367    HA   LEU  49           HA       LEU  49 -13.671   1.192  -1.875
  368   1HB   LEU  49          HB2       LEU  49 -12.631   1.258   0.367
  369   2HB   LEU  49          HB1       LEU  49 -13.275   2.872   0.600
  370    HG   LEU  49           HG       LEU  49 -15.305   0.871  -0.106
  371   1HD1  LEU  49          HD11      LEU  49 -13.481   0.460   2.196
  372   2HD1  LEU  49          HD12      LEU  49 -14.356  -0.716   1.216
  373   3HD1  LEU  49          HD13      LEU  49 -15.205   0.203   2.458
  374   1HD2  LEU  49          HD21      LEU  49 -15.389   3.357   0.844
  375   2HD2  LEU  49          HD22      LEU  49 -15.371   2.486   2.377
  376   3HD2  LEU  49          HD23      LEU  49 -16.641   2.165   1.196
  377    H    ASN  50           HN       ASN  50 -13.833   4.459  -0.455
  378    HA   ASN  50           HA       ASN  50 -16.488   4.916  -1.244
  379   1HB   ASN  50          HB2       ASN  50 -14.905   6.157   0.479
  380   2HB   ASN  50          HB1       ASN  50 -14.619   7.219  -0.896
  381   1HD2  ASN  50          HD21      ASN  50 -16.551   6.638   1.733
  382   2HD2  ASN  50          HD22      ASN  50 -17.905   7.620   1.301
  Start of MODEL    5
    1   1H    THR   2          HT1       THR   2   4.599   8.022   1.271
    2   2H    THR   2          HT2       THR   2   5.266   9.237   0.256
    3   3H    THR   2          HT3       THR   2   5.158   9.493   1.950
    4    HA   THR   2           HA       THR   2   7.385   8.931   1.082
    5    HB   THR   2           HB       THR   2   6.507   6.830   3.010
    6    HG1  THR   2           HG1      THR   2   6.362   9.609   3.553
    7   1HG2  THR   2          HG21      THR   2   8.790   7.017   3.079
    8   2HG2  THR   2          HG22      THR   2   8.307   8.120   4.367
    9   3HG2  THR   2          HG23      THR   2   8.765   8.756   2.787
   10    H    ASP   3           HN       ASP   3   8.592   7.612  -0.140
   11    HA   ASP   3           HA       ASP   3   7.287   5.299  -1.353
   12   1HB   ASP   3          HB2       ASP   3   9.550   7.083  -2.095
   13   2HB   ASP   3          HB1       ASP   3   9.604   5.423  -2.678
   14    H    VAL   4           HN       VAL   4   7.717   3.281  -0.751
   15    HA   VAL   4           HA       VAL   4  10.334   2.624   0.371
   16    HB   VAL   4           HB       VAL   4   7.962   1.461   1.763
   17   1HG1  VAL   4          HG11      VAL   4   9.801   0.477   2.639
   18   2HG1  VAL   4          HG12      VAL   4   9.801   1.918   3.657
   19   3HG1  VAL   4          HG13      VAL   4  10.853   1.836   2.244
   20   1HG2  VAL   4          HG21      VAL   4   9.120   4.148   2.501
   21   2HG2  VAL   4          HG22      VAL   4   7.863   3.267   3.369
   22   3HG2  VAL   4          HG23      VAL   4   7.542   3.898   1.754
   23    H    THR   5           HN       THR   5  10.341   0.083   0.747
   24    HA   THR   5           HA       THR   5   9.385  -1.010  -1.774
   25    HB   THR   5           HB       THR   5  11.002  -2.628  -1.605
   26    HG1  THR   5           HG1      THR   5  10.430  -3.682   0.223
   27   1HG2  THR   5          HG21      THR   5  12.178  -0.477  -1.471
   28   2HG2  THR   5          HG22      THR   5  13.053  -1.784  -0.673
   29   3HG2  THR   5          HG23      THR   5  12.166  -0.601   0.288
   30    H    ILE   6           HN       ILE   6   7.674  -2.150  -1.980
   31    HA   ILE   6           HA       ILE   6   5.912  -2.704   0.154
   32    HB   ILE   6           HB       ILE   6   5.243  -2.309  -2.202
   33   1HG1  ILE   6          HG12      ILE   6   3.362  -3.896  -2.162
   34   2HG1  ILE   6          HG11      ILE   6   4.193  -4.838  -0.933
   35   1HG2  ILE   6          HG21      ILE   6   6.811  -3.674  -3.375
   36   2HG2  ILE   6          HG22      ILE   6   5.183  -4.254  -3.723
   37   3HG2  ILE   6          HG23      ILE   6   6.202  -5.123  -2.578
   38   1HD1  ILE   6          HD11      ILE   6   4.014  -3.025   0.637
   39   2HD1  ILE   6          HD12      ILE   6   2.422  -3.385  -0.030
   40   3HD1  ILE   6          HD13      ILE   6   3.319  -1.979  -0.601
   41    H    LYS   7           HN       LYS   7   5.071  -4.657   0.799
   42    HA   LYS   7           HA       LYS   7   5.009  -6.944   1.220
   43   1HB   LYS   7          HB2       LYS   7   6.504  -7.455  -0.692
   44   2HB   LYS   7          HB1       LYS   7   7.892  -7.083   0.320
   45   1HG   LYS   7          HG2       LYS   7   7.895  -9.285   0.716
   46   2HG   LYS   7          HG1       LYS   7   6.608  -8.899   1.860
   47   1HD   LYS   7          HD2       LYS   7   5.936  -9.451  -1.000
   48   2HD   LYS   7          HD1       LYS   7   6.265 -10.793   0.098
   49   1HE   LYS   7          HE2       LYS   7   4.548  -9.771   1.649
   50   2HE   LYS   7          HE1       LYS   7   4.116  -8.698   0.319
   51   1HZ   LYS   7          HZ1       LYS   7   4.067 -11.659   0.135
   52   2HZ   LYS   7          HZ2       LYS   7   3.478 -10.557  -1.004
   53   3HZ   LYS   7          HZ3       LYS   7   2.711 -10.713   0.495
   54    H    THR   8           HN       THR   8   8.442  -6.160   1.910
   55    HA   THR   8           HA       THR   8   8.332  -6.955   4.591
   56    HB   THR   8           HB       THR   8  10.344  -5.605   4.934
   57    HG1  THR   8           HG1      THR   8   9.890  -3.713   3.924
   58   1HG2  THR   8          HG21      THR   8  10.642  -7.657   3.617
   59   2HG2  THR   8          HG22      THR   8  11.796  -6.394   3.187
   60   3HG2  THR   8          HG23      THR   8  10.412  -6.719   2.141
   61    H    LEU   9           HN       LEU   9   7.779  -3.907   2.989
   62    HA   LEU   9           HA       LEU   9   6.942  -2.449   5.298
   63   1HB   LEU   9          HB2       LEU   9   7.727  -1.708   2.815
   64   2HB   LEU   9          HB1       LEU   9   5.987  -1.607   2.626
   65    HG   LEU   9           HG       LEU   9   6.986   0.553   3.237
   66   1HD1  LEU   9          HD11      LEU   9   4.705   0.179   3.877
   67   2HD1  LEU   9          HD12      LEU   9   5.524   1.040   5.180
   68   3HD1  LEU   9          HD13      LEU   9   5.209  -0.690   5.327
   69   1HD2  LEU   9          HD21      LEU   9   8.140   0.938   5.228
   70   2HD2  LEU   9          HD22      LEU   9   8.813  -0.579   4.633
   71   3HD2  LEU   9          HD23      LEU   9   7.622  -0.593   5.934
   72    H    ALA  10           HN       ALA  10   5.365  -4.120   2.593
   73    HA   ALA  10           HA       ALA  10   2.726  -3.592   3.002
   74   1HB   ALA  10          HB1       ALA  10   3.490  -5.027   1.200
   75   2HB   ALA  10          HB2       ALA  10   2.215  -5.815   2.118
   76   3HB   ALA  10          HB3       ALA  10   3.891  -6.287   2.363
   77    H    ALA  11           HN       ALA  11   4.649  -6.107   4.580
   78    HA   ALA  11           HA       ALA  11   2.634  -7.019   6.340
   79   1HB   ALA  11          HB1       ALA  11   4.892  -7.703   7.636
   80   2HB   ALA  11          HB2       ALA  11   5.543  -7.420   6.022
   81   3HB   ALA  11          HB3       ALA  11   4.252  -8.599   6.257
   82    H    GLU  12           HN       GLU  12   5.373  -4.788   6.749
   83    HA   GLU  12           HA       GLU  12   5.431  -4.119   9.306
   84   1HB   GLU  12          HB2       GLU  12   5.443  -2.283   6.936
   85   2HB   GLU  12          HB1       GLU  12   5.608  -1.644   8.562
   86   1HG   GLU  12          HG2       GLU  12   7.377  -3.881   7.734
   87   2HG   GLU  12          HG1       GLU  12   7.704  -2.265   7.111
   88    H    ARG  13           HN       ARG  13   2.960  -2.551   7.154
   89    HA   ARG  13           HA       ARG  13   1.628  -1.449   9.405
   90   1HB   ARG  13          HB2       ARG  13   1.078  -1.653   6.512
   91   2HB   ARG  13          HB1       ARG  13  -0.302  -1.390   7.563
   92   1HG   ARG  13          HG2       ARG  13   0.794   0.678   6.592
   93   2HG   ARG  13          HG1       ARG  13   0.530   0.668   8.335
   94   1HD   ARG  13          HD2       ARG  13   3.121  -0.408   7.462
   95   2HD   ARG  13          HD1       ARG  13   2.877   1.303   7.123
   96    HE   ARG  13           HE       ARG  13   3.238   0.077   9.698
   97   1HH1  ARG  13          HH11      ARG  13   1.948   2.838   7.997
   98   2HH1  ARG  13          HH12      ARG  13   2.038   3.886   9.373
   99   1HH2  ARG  13          HH21      ARG  13   3.359   1.455  11.509
  100   2HH2  ARG  13          HH22      ARG  13   2.838   3.101  11.367
  101    H    GLN  14           HN       GLN  14   0.998  -4.157   7.353
  102    HA   GLN  14           HA       GLN  14   0.128  -6.237   7.858
  103   1HB   GLN  14          HB2       GLN  14   0.708  -5.612  10.306
  104   2HB   GLN  14          HB1       GLN  14  -0.999  -5.210  10.446
  105   1HG   GLN  14          HG2       GLN  14  -1.152  -7.354  11.101
  106   2HG   GLN  14          HG1       GLN  14  -1.214  -7.647   9.364
  107   1HE2  GLN  14          HE21      GLN  14   0.773  -7.760  12.224
  108   2HE2  GLN  14          HE22      GLN  14   1.997  -8.793  11.576
  109    H    THR  15           HN       THR  15  -1.673  -3.296   8.411
  110    HA   THR  15           HA       THR  15  -3.934  -4.482   6.988
  111    HB   THR  15           HB       THR  15  -5.481  -3.246   8.560
  112    HG1  THR  15           HG1      THR  15  -3.108  -3.090  10.101
  113   1HG2  THR  15          HG21      THR  15  -3.821  -5.505   9.632
  114   2HG2  THR  15          HG22      THR  15  -5.404  -5.585   8.854
  115   3HG2  THR  15          HG23      THR  15  -5.243  -4.867  10.458
  116    H    SER  16           HN       SER  16  -1.665  -2.421   6.587
  117    HA   SER  16           HA       SER  16  -3.429  -0.354   5.482
  118   1HB   SER  16          HB2       SER  16  -1.370   0.006   7.471
  119   2HB   SER  16          HB1       SER  16  -1.000   0.940   6.021
  120    HG   SER  16           HG       SER  16  -3.012   1.262   7.868
  121    H    VAL  17           HN       VAL  17   0.130  -0.412   5.246
  122    HA   VAL  17           HA       VAL  17   0.071   0.080   2.582
  123    HB   VAL  17           HB       VAL  17   2.034   0.631   3.608
  124   1HG1  VAL  17          HG11      VAL  17   1.924  -2.104   4.757
  125   2HG1  VAL  17          HG12      VAL  17   2.315  -0.562   5.519
  126   3HG1  VAL  17          HG13      VAL  17   3.507  -1.372   4.510
  127   1HG2  VAL  17          HG21      VAL  17   2.118  -0.853   1.332
  128   2HG2  VAL  17          HG22      VAL  17   3.271  -1.717   2.347
  129   3HG2  VAL  17          HG23      VAL  17   3.496   0.002   2.022
  130    H    GLU  18           HN       GLU  18   0.539  -3.287   3.936
  131    HA   GLU  18           HA       GLU  18   0.871  -4.537   1.475
  132   1HB   GLU  18          HB2       GLU  18   0.901  -5.809   3.567
  133   2HB   GLU  18          HB1       GLU  18  -0.809  -5.489   3.813
  134   1HG   GLU  18          HG2       GLU  18  -0.612  -6.670   1.285
  135   2HG   GLU  18          HG1       GLU  18   0.464  -7.591   2.335
  136    H    ARG  19           HN       ARG  19  -2.154  -3.835   3.136
  137    HA   ARG  19           HA       ARG  19  -3.957  -4.515   1.172
  138   1HB   ARG  19          HB2       ARG  19  -4.249  -3.633   3.646
  139   2HB   ARG  19          HB1       ARG  19  -4.459  -2.095   2.827
  140   1HG   ARG  19          HG2       ARG  19  -6.617  -2.683   2.759
  141   2HG   ARG  19          HG1       ARG  19  -6.126  -3.685   1.392
  142   1HD   ARG  19          HD2       ARG  19  -7.422  -5.026   2.906
  143   2HD   ARG  19          HD1       ARG  19  -5.744  -5.561   2.969
  144    HE   ARG  19           HE       ARG  19  -5.886  -3.790   4.999
  145   1HH1  ARG  19          HH11      ARG  19  -7.838  -6.548   4.122
  146   2HH1  ARG  19          HH12      ARG  19  -8.277  -6.913   5.756
  147   1HH2  ARG  19          HH21      ARG  19  -6.463  -4.271   7.149
  148   2HH2  ARG  19          HH22      ARG  19  -7.498  -5.622   7.475
  149    H    LEU  20           HN       LEU  20  -2.268  -1.544   1.750
  150    HA   LEU  20           HA       LEU  20  -3.411   0.001  -0.228
  151   1HB   LEU  20          HB2       LEU  20  -1.902   1.602   0.262
  152   2HB   LEU  20          HB1       LEU  20  -1.726   0.603   1.681
  153    HG   LEU  20           HG       LEU  20   0.365  -0.345   0.751
  154   1HD1  LEU  20          HD11      LEU  20  -0.560   1.032  -1.645
  155   2HD1  LEU  20          HD12      LEU  20   0.678  -0.211  -1.470
  156   3HD1  LEU  20          HD13      LEU  20   1.086   1.480  -1.214
  157   1HD2  LEU  20          HD21      LEU  20   0.697   2.589   0.571
  158   2HD2  LEU  20          HD22      LEU  20   1.618   1.396   1.477
  159   3HD2  LEU  20          HD23      LEU  20   0.039   1.921   2.059
  160    H    VAL  21           HN       VAL  21  -0.504  -2.087  -0.575
  161    HA   VAL  21           HA       VAL  21   0.087  -1.401  -3.156
  162    HB   VAL  21           HB       VAL  21   1.545  -2.911  -1.927
  163   1HG1  VAL  21          HG11      VAL  21   0.548  -4.552  -0.778
  164   2HG1  VAL  21          HG12      VAL  21   0.678  -5.455  -2.284
  165   3HG1  VAL  21          HG13      VAL  21  -0.823  -4.634  -1.879
  166   1HG2  VAL  21          HG21      VAL  21   1.209  -2.848  -4.550
  167   2HG2  VAL  21          HG22      VAL  21   0.784  -4.539  -4.284
  168   3HG2  VAL  21          HG23      VAL  21   2.360  -3.936  -3.780
  169    H    GLN  22           HN       GLN  22  -2.329  -3.848  -2.126
  170    HA   GLN  22           HA       GLN  22  -2.951  -4.534  -4.802
  171   1HB   GLN  22          HB2       GLN  22  -5.229  -5.262  -3.750
  172   2HB   GLN  22          HB1       GLN  22  -3.755  -6.145  -3.395
  173   1HG   GLN  22          HG2       GLN  22  -3.564  -4.738  -1.308
  174   2HG   GLN  22          HG1       GLN  22  -5.199  -4.179  -1.648
  175   1HE2  GLN  22          HE21      GLN  22  -6.630  -6.217  -2.320
  176   2HE2  GLN  22          HE22      GLN  22  -6.597  -7.485  -1.147
  177    H    GLN  23           HN       GLN  23  -5.176  -2.678  -2.722
  178    HA   GLN  23           HA       GLN  23  -6.859  -1.850  -4.740
  179   1HB   GLN  23          HB2       GLN  23  -6.091  -0.721  -2.095
  180   2HB   GLN  23          HB1       GLN  23  -7.016   0.306  -3.175
  181   1HG   GLN  23          HG2       GLN  23  -7.808  -2.365  -2.051
  182   2HG   GLN  23          HG1       GLN  23  -8.543  -0.795  -1.731
  183   1HE2  GLN  23          HE21      GLN  23  -9.915  -3.107  -2.616
  184   2HE2  GLN  23          HE22      GLN  23 -10.573  -2.765  -4.177
  185    H    PHE  24           HN       PHE  24  -3.993  -0.237  -3.552
  186    HA   PHE  24           HA       PHE  24  -4.004   2.003  -5.110
  187   1HB   PHE  24          HB2       PHE  24  -1.803   0.548  -3.726
  188   2HB   PHE  24          HB1       PHE  24  -1.484   1.993  -4.685
  189    HD1  PHE  24           HD1      PHE  24  -1.608   4.032  -3.593
  190    HD2  PHE  24           HD2      PHE  24  -3.985   0.788  -2.225
  191    HE1  PHE  24           HE1      PHE  24  -2.609   5.473  -1.889
  192    HE2  PHE  24           HE2      PHE  24  -4.962   2.213  -0.515
  193    HZ   PHE  24           HZ       PHE  24  -4.329   4.570  -0.363
  194    H    ALA  25           HN       ALA  25  -2.606  -1.139  -5.938
  195    HA   ALA  25           HA       ALA  25  -1.315  -0.475  -8.279
  196   1HB   ALA  25          HB1       ALA  25  -1.851  -2.709  -9.094
  197   2HB   ALA  25          HB2       ALA  25  -3.179  -2.847  -7.941
  198   3HB   ALA  25          HB3       ALA  25  -1.513  -2.807  -7.365
  199    H    ASP  26           HN       ASP  26  -4.725  -1.047  -7.582
  200    HA   ASP  26           HA       ASP  26  -5.732  -0.321 -10.145
  201   1HB   ASP  26          HB2       ASP  26  -6.897  -1.407  -7.993
  202   2HB   ASP  26          HB1       ASP  26  -7.329   0.273  -7.693
  203    H    ALA  27           HN       ALA  27  -5.258   1.496  -7.110
  204    HA   ALA  27           HA       ALA  27  -6.196   3.987  -7.610
  205   1HB   ALA  27          HB1       ALA  27  -5.117   3.471  -5.537
  206   2HB   ALA  27          HB2       ALA  27  -4.382   4.903  -6.244
  207   3HB   ALA  27          HB3       ALA  27  -3.551   3.354  -6.333
  208    H    GLY  28           HN       GLY  28  -2.710   3.495  -8.043
  209   1HA   GLY  28          HA2       GLY  28  -2.216   3.960 -10.646
  210   2HA   GLY  28          HA1       GLY  28  -2.621   5.569 -10.071
  211    H    ILE  29           HN       ILE  29  -1.141   3.705  -7.663
  212    HA   ILE  29           HA       ILE  29   1.394   5.106  -8.047
  213    HB   ILE  29           HB       ILE  29   1.822   4.694  -5.696
  214   1HG1  ILE  29          HG12      ILE  29  -0.928   3.711  -5.205
  215   2HG1  ILE  29          HG11      ILE  29   0.227   2.558  -5.858
  216   1HG2  ILE  29          HG21      ILE  29  -0.720   6.030  -6.493
  217   2HG2  ILE  29          HG22      ILE  29   0.800   6.742  -5.951
  218   3HG2  ILE  29          HG23      ILE  29  -0.267   5.952  -4.791
  219   1HD1  ILE  29          HD11      ILE  29   1.603   2.696  -3.982
  220   2HD1  ILE  29          HD12      ILE  29  -0.035   2.674  -3.330
  221   3HD1  ILE  29          HD13      ILE  29   0.854   4.194  -3.432
  222    H    ARG  30           HN       ARG  30   3.260   3.694  -6.832
  223    HA   ARG  30           HA       ARG  30   3.613   1.470  -8.569
  224   1HB   ARG  30          HB2       ARG  30   5.179   2.249  -6.101
  225   2HB   ARG  30          HB1       ARG  30   5.695   1.082  -7.311
  226   1HG   ARG  30          HG2       ARG  30   5.359   3.107  -8.945
  227   2HG   ARG  30          HG1       ARG  30   5.568   4.047  -7.467
  228   1HD   ARG  30          HD2       ARG  30   7.762   3.632  -7.392
  229   2HD   ARG  30          HD1       ARG  30   7.532   1.917  -7.732
  230    HE   ARG  30           HE       ARG  30   8.166   2.355  -9.868
  231   1HH1  ARG  30          HH11      ARG  30   6.835   5.288  -8.525
  232   2HH1  ARG  30          HH12      ARG  30   7.147   6.228  -9.945
  233   1HH2  ARG  30          HH21      ARG  30   8.579   3.590 -11.737
  234   2HH2  ARG  30          HH22      ARG  30   8.136   5.265 -11.768
  235    H    LYS  31           HN       LYS  31   2.949  -0.502  -8.342
  236    HA   LYS  31           HA       LYS  31   2.238  -1.593  -5.714
  237   1HB   LYS  31          HB2       LYS  31   0.369  -2.754  -6.721
  238   2HB   LYS  31          HB1       LYS  31   0.231  -1.037  -7.073
  239   1HG   LYS  31          HG2       LYS  31  -0.133  -1.719  -9.175
  240   2HG   LYS  31          HG1       LYS  31   1.618  -1.904  -9.238
  241   1HD   LYS  31          HD2       LYS  31   1.301  -4.269  -8.450
  242   2HD   LYS  31          HD1       LYS  31  -0.433  -4.039  -8.679
  243   1HE   LYS  31          HE2       LYS  31   1.745  -4.009 -10.747
  244   2HE   LYS  31          HE1       LYS  31   0.342  -5.072 -10.651
  245   1HZ   LYS  31          HZ1       LYS  31   0.508  -2.289 -11.564
  246   2HZ   LYS  31          HZ2       LYS  31  -0.935  -2.823 -10.862
  247   3HZ   LYS  31          HZ3       LYS  31  -0.330  -3.596 -12.239
  248    H    SER  32           HN       SER  32   3.386  -3.371  -5.244
  249    HA   SER  32           HA       SER  32   4.055  -5.257  -7.329
  250   1HB   SER  32          HB2       SER  32   6.294  -4.386  -5.541
  251   2HB   SER  32          HB1       SER  32   6.364  -5.169  -7.121
  252    HG   SER  32           HG       SER  32   6.376  -2.543  -6.522
  253    H    ALA  33           HN       ALA  33   5.413  -7.086  -6.264
  254    HA   ALA  33           HA       ALA  33   4.238  -7.738  -3.638
  255   1HB   ALA  33          HB1       ALA  33   4.917 -10.161  -4.790
  256   2HB   ALA  33          HB2       ALA  33   4.259  -9.245  -6.145
  257   3HB   ALA  33          HB3       ALA  33   3.288  -9.491  -4.694
  258    H    ASP  34           HN       ASP  34   6.043  -6.911  -2.505
  259    HA   ASP  34           HA       ASP  34   8.149  -7.042  -1.587
  260   1HB   ASP  34          HB2       ASP  34   7.770  -9.564  -1.753
  261   2HB   ASP  34          HB1       ASP  34   8.658  -9.500  -3.272
  262    H    ASP  35           HN       ASP  35   8.101  -5.137  -3.089
  263    HA   ASP  35           HA       ASP  35  10.553  -4.999  -4.509
  264   1HB   ASP  35          HB2       ASP  35   9.161  -6.199  -6.198
  265   2HB   ASP  35          HB1       ASP  35   8.087  -4.810  -6.242
  266    H    SER  36           HN       SER  36   8.293  -2.909  -6.077
  267    HA   SER  36           HA       SER  36   8.797  -0.910  -3.971
  268   1HB   SER  36          HB2       SER  36   8.814  -0.026  -6.827
  269   2HB   SER  36          HB1       SER  36   9.653   0.652  -5.432
  270    HG   SER  36           HG       SER  36  10.284  -1.742  -6.818
  271    H    VAL  37           HN       VAL  37   7.141   0.017  -3.229
  272    HA   VAL  37           HA       VAL  37   4.854   0.877  -4.777
  273    HB   VAL  37           HB       VAL  37   4.745  -0.883  -2.329
  274   1HG1  VAL  37          HG11      VAL  37   2.537   0.728  -3.578
  275   2HG1  VAL  37          HG12      VAL  37   3.047   0.682  -1.894
  276   3HG1  VAL  37          HG13      VAL  37   2.229  -0.706  -2.606
  277   1HG2  VAL  37          HG21      VAL  37   3.140  -2.108  -3.985
  278   2HG2  VAL  37          HG22      VAL  37   4.886  -2.323  -4.085
  279   3HG2  VAL  37          HG23      VAL  37   4.070  -1.227  -5.195
  280    H    SER  38           HN       SER  38   3.391   2.266  -3.109
  281    HA   SER  38           HA       SER  38   5.282   3.931  -1.624
  282   1HB   SER  38          HB2       SER  38   3.715   4.933  -3.370
  283   2HB   SER  38          HB1       SER  38   2.400   4.589  -2.246
  284    HG   SER  38           HG       SER  38   3.697   5.845  -0.689
  285    H    ALA  39           HN       ALA  39   5.318   3.755   0.585
  286    HA   ALA  39           HA       ALA  39   3.327   2.153   1.918
  287   1HB   ALA  39          HB1       ALA  39   5.853   3.444   2.940
  288   2HB   ALA  39          HB2       ALA  39   5.650   1.759   2.458
  289   3HB   ALA  39          HB3       ALA  39   4.807   2.378   3.878
  290    H    GLN  40           HN       GLN  40   2.197   2.858   3.809
  291    HA   GLN  40           HA       GLN  40   0.997   4.314   5.089
  292   1HB   GLN  40          HB2       GLN  40   3.389   5.630   4.793
  293   2HB   GLN  40          HB1       GLN  40   2.248   6.798   4.145
  294   1HG   GLN  40          HG2       GLN  40   0.932   6.575   6.247
  295   2HG   GLN  40          HG1       GLN  40   2.229   5.565   6.887
  296   1HE2  GLN  40          HE21      GLN  40   1.138   8.736   6.295
  297   2HE2  GLN  40          HE22      GLN  40   2.526   9.576   6.890
  298    H    GLU  41           HN       GLU  41   0.964   4.035   1.898
  299    HA   GLU  41           HA       GLU  41  -0.609   6.254   1.105
  300   1HB   GLU  41          HB2       GLU  41   0.708   4.199  -0.209
  301   2HB   GLU  41          HB1       GLU  41  -0.993   3.882  -0.520
  302   1HG   GLU  41          HG2       GLU  41  -0.435   5.237  -2.284
  303   2HG   GLU  41          HG1       GLU  41  -1.071   6.406  -1.127
  304    H    LYS  42           HN       LYS  42  -1.234   3.393   2.846
  305    HA   LYS  42           HA       LYS  42  -3.658   2.441   2.350
  306   1HB   LYS  42          HB2       LYS  42  -4.094   2.252   4.742
  307   2HB   LYS  42          HB1       LYS  42  -2.403   1.923   4.387
  308   1HG   LYS  42          HG2       LYS  42  -2.012   3.312   6.095
  309   2HG   LYS  42          HG1       LYS  42  -2.308   4.578   4.902
  310   1HD   LYS  42          HD2       LYS  42  -4.192   5.228   5.914
  311   2HD   LYS  42          HD1       LYS  42  -4.766   3.568   6.083
  312   1HE   LYS  42          HE2       LYS  42  -2.764   3.629   7.920
  313   2HE   LYS  42          HE1       LYS  42  -3.352   5.289   7.999
  314   1HZ   LYS  42          HZ1       LYS  42  -4.789   4.364   9.448
  315   2HZ   LYS  42          HZ2       LYS  42  -4.666   2.816   8.782
  316   3HZ   LYS  42          HZ3       LYS  42  -5.651   3.976   8.045
  317    H    GLN  43           HN       GLN  43  -3.148   5.744   3.525
  318    HA   GLN  43           HA       GLN  43  -5.669   6.541   4.234
  319   1HB   GLN  43          HB2       GLN  43  -3.606   8.056   2.628
  320   2HB   GLN  43          HB1       GLN  43  -5.055   8.800   3.290
  321   1HG   GLN  43          HG2       GLN  43  -4.343   8.450   5.507
  322   2HG   GLN  43          HG1       GLN  43  -3.060   7.351   5.001
  323   1HE2  GLN  43          HE21      GLN  43  -3.935  10.576   5.628
  324   2HE2  GLN  43          HE22      GLN  43  -2.439  11.318   5.186
  325    H    THR  44           HN       THR  44  -4.359   6.293   0.960
  326    HA   THR  44           HA       THR  44  -6.713   7.167  -0.325
  327    HB   THR  44           HB       THR  44  -5.077   5.482  -2.011
  328    HG1  THR  44           HG1      THR  44  -3.798   7.648  -0.701
  329   1HG2  THR  44          HG21      THR  44  -4.918   8.357  -2.386
  330   2HG2  THR  44          HG22      THR  44  -6.570   7.744  -2.314
  331   3HG2  THR  44          HG23      THR  44  -5.437   7.090  -3.497
  332    H    LEU  45           HN       LEU  45  -5.497   3.940   0.575
  333    HA   LEU  45           HA       LEU  45  -7.161   2.293  -0.829
  334   1HB   LEU  45          HB2       LEU  45  -5.510   1.917   1.288
  335   2HB   LEU  45          HB1       LEU  45  -7.068   1.700   2.066
  336    HG   LEU  45           HG       LEU  45  -6.275   0.193  -0.413
  337   1HD1  LEU  45          HD11      LEU  45  -4.690  -0.224   1.452
  338   2HD1  LEU  45          HD12      LEU  45  -5.615  -1.640   0.952
  339   3HD1  LEU  45          HD13      LEU  45  -6.055  -0.775   2.424
  340   1HD2  LEU  45          HD21      LEU  45  -8.423  -0.178   1.666
  341   2HD2  LEU  45          HD22      LEU  45  -8.030  -1.364   0.420
  342   3HD2  LEU  45          HD23      LEU  45  -8.639   0.227  -0.037
  343    H    ILE  46           HN       ILE  46  -7.937   4.001   2.191
  344    HA   ILE  46           HA       ILE  46 -10.597   3.240   2.481
  345    HB   ILE  46           HB       ILE  46  -9.507   6.030   2.937
  346   1HG1  ILE  46          HG12      ILE  46  -9.781   4.190   5.226
  347   2HG1  ILE  46          HG11      ILE  46  -8.508   3.768   4.085
  348   1HG2  ILE  46          HG21      ILE  46 -11.902   5.997   3.012
  349   2HG2  ILE  46          HG22      ILE  46 -11.293   6.127   4.663
  350   3HG2  ILE  46          HG23      ILE  46 -11.896   4.581   4.063
  351   1HD1  ILE  46          HD11      ILE  46  -7.700   6.152   4.321
  352   2HD1  ILE  46          HD12      ILE  46  -7.498   5.106   5.727
  353   3HD1  ILE  46          HD13      ILE  46  -8.808   6.287   5.686
  354    H    ASP  47           HN       ASP  47  -9.088   5.781   0.591
  355    HA   ASP  47           HA       ASP  47 -11.204   7.015  -0.580
  356   1HB   ASP  47          HB2       ASP  47  -8.580   7.322  -0.831
  357   2HB   ASP  47          HB1       ASP  47  -8.892   6.474  -2.342
  358    H    HIS  48           HN       HIS  48  -9.520   4.119  -1.775
  359    HA   HIS  48           HA       HIS  48 -10.868   3.669  -4.132
  360   1HB   HIS  48          HB2       HIS  48  -9.900   1.678  -2.070
  361   2HB   HIS  48          HB1       HIS  48 -10.531   1.199  -3.635
  362    HD1  HIS  48           HD1      HIS  48  -7.677   3.259  -2.198
  363    HD2  HIS  48           HD2      HIS  48  -8.628   1.033  -5.578
  364    HE1  HIS  48           HE1      HIS  48  -5.525   3.022  -3.499
  365    HE2  HIS  48           HE2      HIS  48  -6.201   1.883  -5.629
  366    H    LEU  49           HN       LEU  49 -11.777   2.604  -0.873
  367    HA   LEU  49           HA       LEU  49 -14.096   1.238  -1.432
  368   1HB   LEU  49          HB2       LEU  49 -12.785   2.075   0.845
  369   2HB   LEU  49          HB1       LEU  49 -14.327   2.901   0.955
  370    HG   LEU  49           HG       LEU  49 -15.498   0.748   0.764
  371   1HD1  LEU  49          HD11      LEU  49 -13.846  -1.264   1.218
  372   2HD1  LEU  49          HD12      LEU  49 -12.729  -0.230   0.328
  373   3HD1  LEU  49          HD13      LEU  49 -14.243  -0.741  -0.419
  374   1HD2  LEU  49          HD21      LEU  49 -15.151   1.465   2.976
  375   2HD2  LEU  49          HD22      LEU  49 -13.435   1.061   2.926
  376   3HD2  LEU  49          HD23      LEU  49 -14.642  -0.224   2.952
  377    H    ASN  50           HN       ASN  50 -14.132   4.566  -0.162
  378    HA   ASN  50           HA       ASN  50 -16.786   5.041  -1.057
  379   1HB   ASN  50          HB2       ASN  50 -14.709   6.516   0.393
  380   2HB   ASN  50          HB1       ASN  50 -15.715   7.543  -0.624
  381   1HD2  ASN  50          HD21      ASN  50 -16.649   8.537   1.153
  382   2HD2  ASN  50          HD22      ASN  50 -17.815   7.738   2.148
  Start of MODEL    6
    1   1H    THR   2          HT1       THR   2   9.929   8.270   1.832
    2   2H    THR   2          HT2       THR   2   8.873   9.489   2.419
    3   3H    THR   2          HT3       THR   2   8.726   8.929   0.804
    4    HA   THR   2           HA       THR   2   8.406   7.168   3.126
    5    HB   THR   2           HB       THR   2   6.824   8.998   3.364
    6    HG1  THR   2           HG1      THR   2   5.094   7.745   3.561
    7   1HG2  THR   2          HG21      THR   2   6.470  10.076   1.391
    8   2HG2  THR   2          HG22      THR   2   5.019   9.075   1.461
    9   3HG2  THR   2          HG23      THR   2   6.384   8.582   0.459
   10    H    ASP   3           HN       ASP   3   9.782   6.569   0.761
   11    HA   ASP   3           HA       ASP   3   7.852   4.821  -0.619
   12   1HB   ASP   3          HB2       ASP   3   8.859   6.693  -2.006
   13   2HB   ASP   3          HB1       ASP   3  10.410   5.879  -1.825
   14    H    VAL   4           HN       VAL   4   8.205   2.703  -0.462
   15    HA   VAL   4           HA       VAL   4  10.915   1.704  -0.061
   16    HB   VAL   4           HB       VAL   4   8.910   0.366   1.643
   17   1HG1  VAL   4          HG11      VAL   4  11.069   0.737   3.181
   18   2HG1  VAL   4          HG12      VAL   4  11.811   0.895   1.590
   19   3HG1  VAL   4          HG13      VAL   4  10.930  -0.574   2.009
   20   1HG2  VAL   4          HG21      VAL   4   9.024   1.953   3.451
   21   2HG2  VAL   4          HG22      VAL   4   8.386   2.762   2.021
   22   3HG2  VAL   4          HG23      VAL   4  10.063   3.018   2.503
   23    H    THR   5           HN       THR   5  10.719  -0.866  -0.026
   24    HA   THR   5           HA       THR   5   9.234  -1.483  -2.441
   25    HB   THR   5           HB       THR   5  10.614  -3.292  -2.737
   26    HG1  THR   5           HG1      THR   5  10.486  -4.629  -1.113
   27   1HG2  THR   5          HG21      THR   5  12.677  -2.467  -2.684
   28   2HG2  THR   5          HG22      THR   5  12.652  -2.264  -0.931
   29   3HG2  THR   5          HG23      THR   5  11.937  -1.033  -1.973
   30    H    ILE   6           HN       ILE   6   7.351  -2.420  -2.495
   31    HA   ILE   6           HA       ILE   6   5.764  -2.964  -0.301
   32    HB   ILE   6           HB       ILE   6   4.873  -2.733  -2.620
   33   1HG1  ILE   6          HG12      ILE   6   3.722  -3.791  -0.528
   34   2HG1  ILE   6          HG11      ILE   6   2.942  -3.915  -2.094
   35   1HG2  ILE   6          HG21      ILE   6   4.672  -4.855  -3.942
   36   2HG2  ILE   6          HG22      ILE   6   5.923  -5.531  -2.900
   37   3HG2  ILE   6          HG23      ILE   6   6.275  -4.126  -3.905
   38   1HD1  ILE   6          HD11      ILE   6   4.686  -6.154  -1.608
   39   2HD1  ILE   6          HD12      ILE   6   2.973  -6.117  -2.010
   40   3HD1  ILE   6          HD13      ILE   6   3.483  -5.969  -0.337
   41    H    LYS   7           HN       LYS   7   4.989  -4.771   0.630
   42    HA   LYS   7           HA       LYS   7   4.917  -7.020   1.246
   43   1HB   LYS   7          HB2       LYS   7   6.555  -7.382  -0.876
   44   2HB   LYS   7          HB1       LYS   7   7.702  -7.658   0.427
   45   1HG   LYS   7          HG2       LYS   7   5.135  -9.139  -0.093
   46   2HG   LYS   7          HG1       LYS   7   6.780  -9.756  -0.255
   47   1HD   LYS   7          HD2       LYS   7   7.103  -9.843   2.051
   48   2HD   LYS   7          HD1       LYS   7   5.788  -8.712   2.375
   49   1HE   LYS   7          HE2       LYS   7   5.038 -11.224   1.023
   50   2HE   LYS   7          HE1       LYS   7   5.584 -11.378   2.692
   51   1HZ   LYS   7          HZ1       LYS   7   3.077 -10.869   2.049
   52   2HZ   LYS   7          HZ2       LYS   7   3.642  -9.277   2.133
   53   3HZ   LYS   7          HZ3       LYS   7   3.780 -10.294   3.477
   54    H    THR   8           HN       THR   8   8.293  -5.788   1.396
   55    HA   THR   8           HA       THR   8   8.683  -6.530   4.097
   56    HB   THR   8           HB       THR   8   9.921  -4.132   2.713
   57    HG1  THR   8           HG1      THR   8  10.703  -6.853   2.607
   58   1HG2  THR   8          HG21      THR   8  11.256  -3.954   4.457
   59   2HG2  THR   8          HG22      THR   8  11.732  -5.645   4.307
   60   3HG2  THR   8          HG23      THR   8  10.325  -5.210   5.274
   61    H    LEU   9           HN       LEU   9   7.594  -3.640   2.463
   62    HA   LEU   9           HA       LEU   9   6.871  -2.176   4.808
   63   1HB   LEU   9          HB2       LEU   9   7.147  -1.594   2.089
   64   2HB   LEU   9          HB1       LEU   9   5.428  -1.431   2.393
   65    HG   LEU   9           HG       LEU   9   7.661   0.063   3.768
   66   1HD1  LEU   9          HD11      LEU   9   7.195   0.983   1.622
   67   2HD1  LEU   9          HD12      LEU   9   6.437   2.026   2.822
   68   3HD1  LEU   9          HD13      LEU   9   5.457   0.892   1.894
   69   1HD2  LEU   9          HD21      LEU   9   6.107   1.066   5.198
   70   2HD2  LEU   9          HD22      LEU   9   5.695  -0.648   5.244
   71   3HD2  LEU   9          HD23      LEU   9   4.730   0.465   4.275
   72    H    ALA  10           HN       ALA  10   5.197  -4.096   2.354
   73    HA   ALA  10           HA       ALA  10   2.574  -3.855   3.047
   74   1HB   ALA  10          HB1       ALA  10   3.525  -6.611   2.546
   75   2HB   ALA  10          HB2       ALA  10   3.826  -5.393   1.316
   76   3HB   ALA  10          HB3       ALA  10   2.186  -5.727   1.822
   77    H    ALA  11           HN       ALA  11   4.935  -6.108   4.430
   78    HA   ALA  11           HA       ALA  11   3.255  -7.227   6.394
   79   1HB   ALA  11          HB1       ALA  11   5.609  -7.977   5.549
   80   2HB   ALA  11          HB2       ALA  11   5.148  -8.275   7.226
   81   3HB   ALA  11          HB3       ALA  11   6.200  -6.917   6.828
   82    H    GLU  12           HN       GLU  12   5.605  -4.584   6.459
   83    HA   GLU  12           HA       GLU  12   5.778  -3.714   8.950
   84   1HB   GLU  12          HB2       GLU  12   6.386  -2.541   6.687
   85   2HB   GLU  12          HB1       GLU  12   4.891  -1.658   6.965
   86   1HG   GLU  12          HG2       GLU  12   6.042  -1.367   9.369
   87   2HG   GLU  12          HG1       GLU  12   7.480  -1.499   8.359
   88    H    ARG  13           HN       ARG  13   3.046  -2.338   7.013
   89    HA   ARG  13           HA       ARG  13   1.682  -1.640   9.411
   90   1HB   ARG  13          HB2       ARG  13   1.010  -1.554   6.519
   91   2HB   ARG  13          HB1       ARG  13  -0.284  -1.387   7.694
   92   1HG   ARG  13          HG2       ARG  13   2.172   0.350   7.556
   93   2HG   ARG  13          HG1       ARG  13   0.577   0.786   6.949
   94   1HD   ARG  13          HD2       ARG  13  -0.103   1.411   8.972
   95   2HD   ARG  13          HD1       ARG  13   0.427  -0.111   9.685
   96    HE   ARG  13           HE       ARG  13   2.738   1.252   9.390
   97   1HH1  ARG  13          HH11      ARG  13  -0.332   2.078  10.834
   98   2HH1  ARG  13          HH12      ARG  13   0.364   3.153  11.999
   99   1HH2  ARG  13          HH21      ARG  13   3.654   2.669  10.922
  100   2HH2  ARG  13          HH22      ARG  13   2.626   3.489  12.049
  101    H    GLN  14           HN       GLN  14   1.190  -4.066   7.000
  102    HA   GLN  14           HA       GLN  14   0.440  -6.240   7.199
  103   1HB   GLN  14          HB2       GLN  14   1.051  -5.985   9.694
  104   2HB   GLN  14          HB1       GLN  14  -0.659  -5.652   9.937
  105   1HG   GLN  14          HG2       GLN  14  -0.313  -7.951  10.382
  106   2HG   GLN  14          HG1       GLN  14  -1.156  -7.839   8.838
  107   1HE2  GLN  14          HE21      GLN  14   0.164 -10.124   9.541
  108   2HE2  GLN  14          HE22      GLN  14   1.559 -10.327   8.541
  109    H    THR  15           HN       THR  15  -1.494  -3.513   8.219
  110    HA   THR  15           HA       THR  15  -3.760  -4.651   6.745
  111    HB   THR  15           HB       THR  15  -4.170  -2.995   9.222
  112    HG1  THR  15           HG1      THR  15  -3.945  -4.689  10.459
  113   1HG2  THR  15          HG21      THR  15  -6.338  -3.883   9.272
  114   2HG2  THR  15          HG22      THR  15  -5.946  -5.123   8.081
  115   3HG2  THR  15          HG23      THR  15  -6.049  -3.431   7.592
  116    H    SER  16           HN       SER  16  -1.534  -2.409   6.533
  117    HA   SER  16           HA       SER  16  -3.407  -0.419   5.462
  118   1HB   SER  16          HB2       SER  16  -1.395  -0.023   7.523
  119   2HB   SER  16          HB1       SER  16  -1.162   1.064   6.156
  120    HG   SER  16           HG       SER  16  -2.950   1.240   8.099
  121    H    VAL  17           HN       VAL  17   0.147  -0.191   5.397
  122    HA   VAL  17           HA       VAL  17   0.226   0.493   2.798
  123    HB   VAL  17           HB       VAL  17   2.097   0.983   4.043
  124   1HG1  VAL  17          HG11      VAL  17   3.630  -1.128   4.629
  125   2HG1  VAL  17          HG12      VAL  17   2.047  -1.892   4.760
  126   3HG1  VAL  17          HG13      VAL  17   2.430  -0.479   5.743
  127   1HG2  VAL  17          HG21      VAL  17   3.608   0.698   2.419
  128   2HG2  VAL  17          HG22      VAL  17   2.300  -0.119   1.566
  129   3HG2  VAL  17          HG23      VAL  17   3.487  -1.061   2.467
  130    H    GLU  18           HN       GLU  18   0.651  -2.960   3.866
  131    HA   GLU  18           HA       GLU  18   1.186  -4.014   1.363
  132   1HB   GLU  18          HB2       GLU  18   1.050  -5.424   3.367
  133   2HB   GLU  18          HB1       GLU  18  -0.674  -5.119   3.488
  134   1HG   GLU  18          HG2       GLU  18  -0.337  -6.140   0.932
  135   2HG   GLU  18          HG1       GLU  18   0.748  -7.097   1.939
  136    H    ARG  19           HN       ARG  19  -2.022  -3.664   2.791
  137    HA   ARG  19           HA       ARG  19  -3.587  -4.222   0.618
  138   1HB   ARG  19          HB2       ARG  19  -4.076  -3.471   3.175
  139   2HB   ARG  19          HB1       ARG  19  -4.572  -2.027   2.302
  140   1HG   ARG  19          HG2       ARG  19  -6.522  -3.281   2.488
  141   2HG   ARG  19          HG1       ARG  19  -5.960  -3.606   0.847
  142   1HD   ARG  19          HD2       ARG  19  -5.784  -5.782   1.270
  143   2HD   ARG  19          HD1       ARG  19  -4.802  -5.479   2.703
  144    HE   ARG  19           HE       ARG  19  -7.626  -6.042   2.612
  145   1HH1  ARG  19          HH11      ARG  19  -5.030  -4.651   4.488
  146   2HH1  ARG  19          HH12      ARG  19  -5.851  -4.848   5.999
  147   1HH2  ARG  19          HH21      ARG  19  -8.705  -6.300   4.599
  148   2HH2  ARG  19          HH22      ARG  19  -7.936  -5.784   6.063
  149    H    LEU  20           HN       LEU  20  -2.250  -1.179   1.605
  150    HA   LEU  20           HA       LEU  20  -3.460   0.431  -0.296
  151   1HB   LEU  20          HB2       LEU  20  -2.137   2.137   0.420
  152   2HB   LEU  20          HB1       LEU  20  -2.030   1.052   1.783
  153    HG   LEU  20           HG       LEU  20   0.209   0.293   0.920
  154   1HD1  LEU  20          HD11      LEU  20  -0.592   1.925  -1.320
  155   2HD1  LEU  20          HD12      LEU  20   0.802   0.857  -1.159
  156   3HD1  LEU  20          HD13      LEU  20   0.908   2.533  -0.625
  157   1HD2  LEU  20          HD21      LEU  20  -0.353   2.209   2.593
  158   2HD2  LEU  20          HD22      LEU  20   0.276   3.240   1.318
  159   3HD2  LEU  20          HD23      LEU  20   1.295   1.985   2.011
  160    H    VAL  21           HN       VAL  21  -0.337  -1.240  -0.515
  161    HA   VAL  21           HA       VAL  21   0.479  -0.290  -2.951
  162    HB   VAL  21           HB       VAL  21   0.855  -3.200  -2.537
  163   1HG1  VAL  21          HG11      VAL  21   2.978  -1.140  -2.931
  164   2HG1  VAL  21          HG12      VAL  21   1.925  -1.583  -4.272
  165   3HG1  VAL  21          HG13      VAL  21   2.922  -2.807  -3.495
  166   1HG2  VAL  21          HG21      VAL  21   2.784  -2.274  -0.910
  167   2HG2  VAL  21          HG22      VAL  21   1.241  -2.892  -0.330
  168   3HG2  VAL  21          HG23      VAL  21   1.489  -1.155  -0.512
  169    H    GLN  22           HN       GLN  22  -1.683  -3.093  -2.401
  170    HA   GLN  22           HA       GLN  22  -1.963  -3.722  -5.125
  171   1HB   GLN  22          HB2       GLN  22  -4.058  -4.151  -3.009
  172   2HB   GLN  22          HB1       GLN  22  -3.878  -5.048  -4.509
  173   1HG   GLN  22          HG2       GLN  22  -2.164  -6.305  -3.720
  174   2HG   GLN  22          HG1       GLN  22  -1.581  -5.037  -2.644
  175   1HE2  GLN  22          HE21      GLN  22  -1.839  -7.700  -1.874
  176   2HE2  GLN  22          HE22      GLN  22  -3.069  -7.810  -0.666
  177    H    GLN  23           HN       GLN  23  -4.573  -2.255  -3.225
  178    HA   GLN  23           HA       GLN  23  -6.173  -1.515  -5.342
  179   1HB   GLN  23          HB2       GLN  23  -5.969  -0.891  -2.549
  180   2HB   GLN  23          HB1       GLN  23  -6.345   0.578  -3.434
  181   1HG   GLN  23          HG2       GLN  23  -8.398  -0.403  -2.778
  182   2HG   GLN  23          HG1       GLN  23  -8.232  -0.655  -4.515
  183   1HE2  GLN  23          HE21      GLN  23  -8.785  -2.106  -1.530
  184   2HE2  GLN  23          HE22      GLN  23  -8.679  -3.757  -2.028
  185    H    PHE  24           HN       PHE  24  -3.614   0.293  -3.829
  186    HA   PHE  24           HA       PHE  24  -3.715   2.642  -5.209
  187   1HB   PHE  24          HB2       PHE  24  -1.432   1.256  -3.854
  188   2HB   PHE  24          HB1       PHE  24  -1.259   2.844  -4.606
  189    HD1  PHE  24           HD1      PHE  24  -1.231   4.448  -2.883
  190    HD2  PHE  24           HD2      PHE  24  -4.088   1.309  -2.796
  191    HE1  PHE  24           HE1      PHE  24  -2.426   5.550  -1.039
  192    HE2  PHE  24           HE2      PHE  24  -5.242   2.380  -0.975
  193    HZ   PHE  24           HZ       PHE  24  -4.471   4.522  -0.120
  194    H    ALA  25           HN       ALA  25  -2.046  -0.321  -6.142
  195    HA   ALA  25           HA       ALA  25  -0.667   0.536  -8.363
  196   1HB   ALA  25          HB1       ALA  25  -2.370  -1.951  -8.063
  197   2HB   ALA  25          HB2       ALA  25  -0.648  -1.806  -7.724
  198   3HB   ALA  25          HB3       ALA  25  -1.233  -1.676  -9.381
  199    H    ASP  26           HN       ASP  26  -4.065  -0.276  -7.902
  200    HA   ASP  26           HA       ASP  26  -4.964   0.545 -10.485
  201   1HB   ASP  26          HB2       ASP  26  -6.132  -0.666  -8.273
  202   2HB   ASP  26          HB1       ASP  26  -6.910   0.912  -8.332
  203    H    ALA  27           HN       ALA  27  -4.875   2.154  -7.297
  204    HA   ALA  27           HA       ALA  27  -5.996   4.600  -7.753
  205   1HB   ALA  27          HB1       ALA  27  -5.106   3.957  -5.601
  206   2HB   ALA  27          HB2       ALA  27  -4.505   5.534  -6.087
  207   3HB   ALA  27          HB3       ALA  27  -3.465   4.119  -6.212
  208    H    GLY  28           HN       GLY  28  -2.508   4.211  -7.812
  209   1HA   GLY  28          HA2       GLY  28  -1.634   4.969 -10.245
  210   2HA   GLY  28          HA1       GLY  28  -2.075   6.513  -9.508
  211    H    ILE  29           HN       ILE  29  -0.822   3.610  -8.063
  212    HA   ILE  29           HA       ILE  29   1.678   4.900  -7.274
  213    HB   ILE  29           HB       ILE  29   0.321   3.166  -5.274
  214   1HG1  ILE  29          HG12      ILE  29  -1.447   4.745  -5.996
  215   2HG1  ILE  29          HG11      ILE  29  -0.923   5.054  -4.348
  216   1HG2  ILE  29          HG21      ILE  29   1.406   5.319  -3.988
  217   2HG2  ILE  29          HG22      ILE  29   2.468   5.144  -5.385
  218   3HG2  ILE  29          HG23      ILE  29   2.231   3.788  -4.284
  219   1HD1  ILE  29          HD11      ILE  29  -1.054   6.856  -6.494
  220   2HD1  ILE  29          HD12      ILE  29   0.654   6.621  -6.122
  221   3HD1  ILE  29          HD13      ILE  29  -0.460   7.147  -4.859
  222    H    ARG  30           HN       ARG  30   2.937   2.956  -5.937
  223    HA   ARG  30           HA       ARG  30   3.512   1.099  -8.024
  224   1HB   ARG  30          HB2       ARG  30   4.500   0.929  -5.182
  225   2HB   ARG  30          HB1       ARG  30   5.279   0.318  -6.634
  226   1HG   ARG  30          HG2       ARG  30   4.790   3.248  -6.264
  227   2HG   ARG  30          HG1       ARG  30   6.192   2.455  -5.547
  228   1HD   ARG  30          HD2       ARG  30   6.631   1.543  -7.904
  229   2HD   ARG  30          HD1       ARG  30   5.486   2.769  -8.445
  230    HE   ARG  30           HE       ARG  30   7.616   3.764  -6.771
  231   1HH1  ARG  30          HH11      ARG  30   6.590   3.087 -10.038
  232   2HH1  ARG  30          HH12      ARG  30   7.692   4.219 -10.750
  233   1HH2  ARG  30          HH21      ARG  30   9.060   5.253  -7.703
  234   2HH2  ARG  30          HH22      ARG  30   9.093   5.449  -9.424
  235    H    LYS  31           HN       LYS  31   3.330  -1.107  -8.017
  236    HA   LYS  31           HA       LYS  31   0.925  -2.159  -6.875
  237   1HB   LYS  31          HB2       LYS  31   2.562  -2.657  -9.132
  238   2HB   LYS  31          HB1       LYS  31   2.465  -4.157  -8.225
  239   1HG   LYS  31          HG2       LYS  31  -0.098  -3.628  -8.212
  240   2HG   LYS  31          HG1       LYS  31   0.324  -2.632  -9.608
  241   1HD   LYS  31          HD2       LYS  31   0.975  -4.445 -10.876
  242   2HD   LYS  31          HD1       LYS  31   1.309  -5.446  -9.461
  243   1HE   LYS  31          HE2       LYS  31  -1.485  -4.626  -9.672
  244   2HE   LYS  31          HE1       LYS  31  -0.934  -5.588 -11.041
  245   1HZ   LYS  31          HZ1       LYS  31  -0.217  -7.306  -9.536
  246   2HZ   LYS  31          HZ2       LYS  31  -1.843  -6.950  -9.240
  247   3HZ   LYS  31          HZ3       LYS  31  -0.648  -6.374  -8.192
  248    H    SER  32           HN       SER  32   0.721  -4.207  -5.891
  249    HA   SER  32           HA       SER  32   2.702  -4.672  -3.815
  250   1HB   SER  32          HB2       SER  32   0.987  -5.396  -2.517
  251   2HB   SER  32          HB1       SER  32   0.005  -4.524  -3.692
  252    HG   SER  32           HG       SER  32   0.495  -7.295  -3.503
  253    H    ALA  33           HN       ALA  33   2.743  -7.056  -3.075
  254    HA   ALA  33           HA       ALA  33   3.077  -9.301  -3.484
  255   1HB   ALA  33          HB1       ALA  33   3.283  -8.816  -6.436
  256   2HB   ALA  33          HB2       ALA  33   1.711  -8.950  -5.647
  257   3HB   ALA  33          HB3       ALA  33   2.850 -10.295  -5.578
  258    H    ASP  34           HN       ASP  34   4.965  -7.530  -2.671
  259    HA   ASP  34           HA       ASP  34   7.232  -7.234  -2.535
  260   1HB   ASP  34          HB2       ASP  34   7.039  -9.816  -2.658
  261   2HB   ASP  34          HB1       ASP  34   7.609  -9.631  -4.314
  262    H    ASP  35           HN       ASP  35   7.726  -5.415  -3.576
  263    HA   ASP  35           HA       ASP  35   9.221  -5.279  -5.866
  264   1HB   ASP  35          HB2       ASP  35   7.292  -6.143  -7.131
  265   2HB   ASP  35          HB1       ASP  35   6.304  -4.808  -6.552
  266    H    SER  36           HN       SER  36   6.712  -2.929  -6.264
  267    HA   SER  36           HA       SER  36   8.222  -1.130  -4.480
  268   1HB   SER  36          HB2       SER  36   7.252   0.682  -6.134
  269   2HB   SER  36          HB1       SER  36   8.711  -0.220  -6.547
  270    HG   SER  36           HG       SER  36   7.394  -1.623  -7.784
  271    H    VAL  37           HN       VAL  37   7.156   0.124  -3.069
  272    HA   VAL  37           HA       VAL  37   4.219   0.270  -3.134
  273    HB   VAL  37           HB       VAL  37   4.791  -1.559  -1.602
  274   1HG1  VAL  37          HG11      VAL  37   7.056  -0.737  -1.046
  275   2HG1  VAL  37          HG12      VAL  37   6.125  -1.214   0.370
  276   3HG1  VAL  37          HG13      VAL  37   6.320   0.492  -0.026
  277   1HG2  VAL  37          HG21      VAL  37   3.986   0.783   0.084
  278   2HG2  VAL  37          HG22      VAL  37   3.502  -0.903   0.243
  279   3HG2  VAL  37          HG23      VAL  37   2.904   0.060  -1.107
  280    H    SER  38           HN       SER  38   3.354   1.866  -1.570
  281    HA   SER  38           HA       SER  38   5.253   4.025  -0.980
  282   1HB   SER  38          HB2       SER  38   3.866   4.772  -2.824
  283   2HB   SER  38          HB1       SER  38   2.404   4.254  -1.985
  284    HG   SER  38           HG       SER  38   3.450   6.614  -1.899
  285    H    ALA  39           HN       ALA  39   5.337   4.398   1.188
  286    HA   ALA  39           HA       ALA  39   3.420   3.170   2.948
  287   1HB   ALA  39          HB1       ALA  39   5.142   4.708   4.500
  288   2HB   ALA  39          HB2       ALA  39   6.132   4.161   3.146
  289   3HB   ALA  39          HB3       ALA  39   5.286   2.985   4.152
  290    H    GLN  40           HN       GLN  40   2.243   4.310   4.585
  291    HA   GLN  40           HA       GLN  40   0.923   5.982   5.395
  292   1HB   GLN  40          HB2       GLN  40   3.313   7.333   4.532
  293   2HB   GLN  40          HB1       GLN  40   1.916   8.336   4.169
  294   1HG   GLN  40          HG2       GLN  40   1.451   8.717   6.343
  295   2HG   GLN  40          HG1       GLN  40   2.000   7.122   6.857
  296   1HE2  GLN  40          HE21      GLN  40   2.944  10.386   6.123
  297   2HE2  GLN  40          HE22      GLN  40   4.518  10.307   6.832
  298    H    GLU  41           HN       GLU  41   0.841   4.754   2.574
  299    HA   GLU  41           HA       GLU  41  -0.839   6.735   1.263
  300   1HB   GLU  41          HB2       GLU  41   0.875   4.588   0.346
  301   2HB   GLU  41          HB1       GLU  41  -0.715   4.507  -0.390
  302   1HG   GLU  41          HG2       GLU  41   1.265   6.761  -0.494
  303   2HG   GLU  41          HG1       GLU  41   0.672   5.773  -1.828
  304    H    LYS  42           HN       LYS  42  -1.021   3.845   3.108
  305    HA   LYS  42           HA       LYS  42  -3.232   2.503   2.386
  306   1HB   LYS  42          HB2       LYS  42  -3.758   2.179   4.777
  307   2HB   LYS  42          HB1       LYS  42  -2.043   2.000   4.432
  308   1HG   LYS  42          HG2       LYS  42  -2.989   4.677   5.272
  309   2HG   LYS  42          HG1       LYS  42  -2.945   3.403   6.491
  310   1HD   LYS  42          HD2       LYS  42  -0.524   3.259   5.032
  311   2HD   LYS  42          HD1       LYS  42  -0.793   4.956   5.437
  312   1HE   LYS  42          HE2       LYS  42  -0.928   2.692   7.422
  313   2HE   LYS  42          HE1       LYS  42   0.502   3.686   7.148
  314   1HZ   LYS  42          HZ1       LYS  42  -0.390   5.423   8.240
  315   2HZ   LYS  42          HZ2       LYS  42  -1.335   4.235   8.985
  316   3HZ   LYS  42          HZ3       LYS  42  -1.961   5.126   7.691
  317    H    GLN  43           HN       GLN  43  -3.250   5.802   3.609
  318    HA   GLN  43           HA       GLN  43  -5.860   6.206   4.321
  319   1HB   GLN  43          HB2       GLN  43  -3.884   7.870   4.192
  320   2HB   GLN  43          HB1       GLN  43  -4.452   8.192   2.559
  321   1HG   GLN  43          HG2       GLN  43  -6.751   8.551   3.754
  322   2HG   GLN  43          HG1       GLN  43  -5.734   8.814   5.171
  323   1HE2  GLN  43          HE21      GLN  43  -3.703  10.228   4.474
  324   2HE2  GLN  43          HE22      GLN  43  -4.132  11.704   3.686
  325    H    THR  44           HN       THR  44  -4.558   6.408   1.009
  326    HA   THR  44           HA       THR  44  -6.977   6.942  -0.254
  327    HB   THR  44           HB       THR  44  -5.147   5.345  -1.881
  328    HG1  THR  44           HG1      THR  44  -3.543   7.001  -1.838
  329   1HG2  THR  44          HG21      THR  44  -6.551   6.600  -3.168
  330   2HG2  THR  44          HG22      THR  44  -5.136   7.650  -3.090
  331   3HG2  THR  44          HG23      THR  44  -6.527   7.968  -2.055
  332    H    LEU  45           HN       LEU  45  -5.549   3.802   0.643
  333    HA   LEU  45           HA       LEU  45  -7.083   2.052  -0.780
  334   1HB   LEU  45          HB2       LEU  45  -5.347   1.434   0.903
  335   2HB   LEU  45          HB1       LEU  45  -6.495   1.801   2.176
  336    HG   LEU  45           HG       LEU  45  -6.204  -0.644   1.617
  337   1HD1  LEU  45          HD11      LEU  45  -8.369  -1.125   2.205
  338   2HD1  LEU  45          HD12      LEU  45  -9.047   0.125   1.160
  339   3HD1  LEU  45          HD13      LEU  45  -8.259   0.571   2.675
  340   1HD2  LEU  45          HD21      LEU  45  -6.461   0.163  -0.970
  341   2HD2  LEU  45          HD22      LEU  45  -8.081  -0.441  -0.623
  342   3HD2  LEU  45          HD23      LEU  45  -6.682  -1.492  -0.402
  343    H    ILE  46           HN       ILE  46  -8.009   3.655   2.260
  344    HA   ILE  46           HA       ILE  46 -10.598   2.664   2.511
  345    HB   ILE  46           HB       ILE  46  -9.732   5.525   3.018
  346   1HG1  ILE  46          HG12      ILE  46  -9.692   3.133   4.873
  347   2HG1  ILE  46          HG11      ILE  46  -8.278   3.933   4.195
  348   1HG2  ILE  46          HG21      ILE  46 -12.075   3.902   3.978
  349   2HG2  ILE  46          HG22      ILE  46 -12.096   5.410   3.066
  350   3HG2  ILE  46          HG23      ILE  46 -11.562   5.404   4.747
  351   1HD1  ILE  46          HD11      ILE  46 -10.269   5.194   6.064
  352   2HD1  ILE  46          HD12      ILE  46  -8.816   5.957   5.418
  353   3HD1  ILE  46          HD13      ILE  46  -8.677   4.580   6.511
  354    H    ASP  47           HN       ASP  47  -9.296   5.357   0.666
  355    HA   ASP  47           HA       ASP  47 -11.511   6.400  -0.514
  356   1HB   ASP  47          HB2       ASP  47  -8.911   6.944  -0.719
  357   2HB   ASP  47          HB1       ASP  47  -9.146   6.125  -2.261
  358    H    HIS  48           HN       HIS  48  -9.497   3.768  -1.812
  359    HA   HIS  48           HA       HIS  48 -10.821   3.233  -4.164
  360   1HB   HIS  48          HB2       HIS  48  -9.523   1.313  -2.217
  361   2HB   HIS  48          HB1       HIS  48 -10.091   0.830  -3.808
  362    HD1  HIS  48           HD1      HIS  48  -7.557   3.196  -2.248
  363    HD2  HIS  48           HD2      HIS  48  -8.221   1.111  -5.786
  364    HE1  HIS  48           HE1      HIS  48  -5.438   3.434  -3.601
  365    HE2  HIS  48           HE2      HIS  48  -5.955   2.320  -5.791
  366    H    LEU  49           HN       LEU  49 -11.490   1.903  -0.944
  367    HA   LEU  49           HA       LEU  49 -13.632   0.271  -1.581
  368   1HB   LEU  49          HB2       LEU  49 -12.324   0.984   0.717
  369   2HB   LEU  49          HB1       LEU  49 -13.911   1.684   0.971
  370    HG   LEU  49           HG       LEU  49 -14.360  -0.937   0.036
  371   1HD1  LEU  49          HD11      LEU  49 -13.173  -2.249   1.778
  372   2HD1  LEU  49          HD12      LEU  49 -12.214  -0.816   2.145
  373   3HD1  LEU  49          HD13      LEU  49 -12.106  -1.564   0.552
  374   1HD2  LEU  49          HD21      LEU  49 -14.606   0.415   2.709
  375   2HD2  LEU  49          HD22      LEU  49 -15.149  -1.239   2.429
  376   3HD2  LEU  49          HD23      LEU  49 -15.870   0.090   1.522
  377    H    ASN  50           HN       ASN  50 -14.008   3.428   0.024
  378    HA   ASN  50           HA       ASN  50 -16.732   3.691  -0.565
  379   1HB   ASN  50          HB2       ASN  50 -15.061   5.028   1.045
  380   2HB   ASN  50          HB1       ASN  50 -15.102   6.164  -0.300
  381   1HD2  ASN  50          HD21      ASN  50 -17.300   6.764  -1.069
  382   2HD2  ASN  50          HD22      ASN  50 -18.531   6.981   0.124
  Start of MODEL    7
    1   1H    THR   2          HT1       THR   2   8.348   9.057   2.854
    2   2H    THR   2          HT2       THR   2   8.860   8.047   1.564
    3   3H    THR   2          HT3       THR   2   8.696   7.404   3.147
    4    HA   THR   2           HA       THR   2   6.415   7.547   3.105
    5    HB   THR   2           HB       THR   2   5.333   8.609   1.022
    6    HG1  THR   2           HG1      THR   2   6.567   9.988  -0.140
    7   1HG2  THR   2          HG21      THR   2   6.744  10.753   2.492
    8   2HG2  THR   2          HG22      THR   2   5.716   9.659   3.419
    9   3HG2  THR   2          HG23      THR   2   5.037  10.587   2.081
   10    H    ASP   3           HN       ASP   3   7.838   7.441  -0.168
   11    HA   ASP   3           HA       ASP   3   6.442   4.970  -0.738
   12   1HB   ASP   3          HB2       ASP   3   7.524   5.178  -2.973
   13   2HB   ASP   3          HB1       ASP   3   6.596   6.604  -2.516
   14    H    VAL   4           HN       VAL   4   7.252   2.981  -0.533
   15    HA   VAL   4           HA       VAL   4  10.138   2.577  -0.571
   16    HB   VAL   4           HB       VAL   4   8.703   1.134   1.595
   17   1HG1  VAL   4          HG11      VAL   4  11.063   1.856   2.617
   18   2HG1  VAL   4          HG12      VAL   4  11.458   1.960   0.902
   19   3HG1  VAL   4          HG13      VAL   4  10.865   0.444   1.580
   20   1HG2  VAL   4          HG21      VAL   4   7.906   3.242   2.210
   21   2HG2  VAL   4          HG22      VAL   4   9.378   4.055   1.680
   22   3HG2  VAL   4          HG23      VAL   4   9.392   3.073   3.143
   23    H    THR   5           HN       THR   5  10.521   0.052  -0.321
   24    HA   THR   5           HA       THR   5   9.101  -1.087  -2.512
   25    HB   THR   5           HB       THR   5  11.314  -1.772  -2.431
   26    HG1  THR   5           HG1      THR   5  11.231  -3.990  -2.090
   27   1HG2  THR   5          HG21      THR   5  10.935  -2.226   0.503
   28   2HG2  THR   5          HG22      THR   5  12.106  -1.192  -0.316
   29   3HG2  THR   5          HG23      THR   5  12.276  -2.945  -0.389
   30    H    ILE   6           HN       ILE   6   7.411  -2.177  -2.589
   31    HA   ILE   6           HA       ILE   6   5.686  -2.771  -0.483
   32    HB   ILE   6           HB       ILE   6   4.395  -2.905  -2.333
   33   1HG1  ILE   6          HG12      ILE   6   4.377  -5.259  -3.432
   34   2HG1  ILE   6          HG11      ILE   6   5.517  -5.680  -2.172
   35   1HG2  ILE   6          HG21      ILE   6   6.020  -2.227  -3.900
   36   2HG2  ILE   6          HG22      ILE   6   5.265  -3.667  -4.574
   37   3HG2  ILE   6          HG23      ILE   6   6.848  -3.772  -3.816
   38   1HD1  ILE   6          HD11      ILE   6   3.270  -4.335  -1.030
   39   2HD1  ILE   6          HD12      ILE   6   3.872  -5.961  -0.726
   40   3HD1  ILE   6          HD13      ILE   6   2.731  -5.674  -2.035
   41    H    LYS   7           HN       LYS   7   5.006  -4.704   0.336
   42    HA   LYS   7           HA       LYS   7   5.086  -6.936   0.940
   43   1HB   LYS   7          HB2       LYS   7   6.459  -7.467  -1.077
   44   2HB   LYS   7          HB1       LYS   7   7.903  -7.064  -0.161
   45   1HG   LYS   7          HG2       LYS   7   6.153  -9.005   1.151
   46   2HG   LYS   7          HG1       LYS   7   6.826  -9.550  -0.388
   47   1HD   LYS   7          HD2       LYS   7   8.958  -9.585   0.402
   48   2HD   LYS   7          HD1       LYS   7   8.688  -8.229   1.499
   49   1HE   LYS   7          HE2       LYS   7   7.141 -10.601   2.198
   50   2HE   LYS   7          HE1       LYS   7   8.884 -10.878   2.218
   51   1HZ   LYS   7          HZ1       LYS   7   7.604  -8.590   3.603
   52   2HZ   LYS   7          HZ2       LYS   7   9.185  -9.162   3.787
   53   3HZ   LYS   7          HZ3       LYS   7   7.885 -10.081   4.355
   54    H    THR   8           HN       THR   8   8.538  -6.039   1.344
   55    HA   THR   8           HA       THR   8   8.713  -6.826   3.996
   56    HB   THR   8           HB       THR   8  10.144  -4.331   3.158
   57    HG1  THR   8           HG1      THR   8  10.649  -5.279   1.352
   58   1HG2  THR   8          HG21      THR   8  11.392  -4.894   4.891
   59   2HG2  THR   8          HG22      THR   8  11.942  -6.293   3.968
   60   3HG2  THR   8          HG23      THR   8  10.563  -6.442   5.057
   61    H    LEU   9           HN       LEU   9   7.985  -3.665   2.650
   62    HA   LEU   9           HA       LEU   9   7.186  -2.491   5.121
   63   1HB   LEU   9          HB2       LEU   9   7.380  -1.656   2.314
   64   2HB   LEU   9          HB1       LEU   9   6.061  -0.911   3.203
   65    HG   LEU   9           HG       LEU   9   8.085  -0.607   4.981
   66   1HD1  LEU   9          HD11      LEU   9   9.994   0.299   3.590
   67   2HD1  LEU   9          HD12      LEU   9   9.299  -0.592   2.236
   68   3HD1  LEU   9          HD13      LEU   9   9.840  -1.456   3.674
   69   1HD2  LEU   9          HD21      LEU   9   7.172   1.189   2.753
   70   2HD2  LEU   9          HD22      LEU   9   8.283   1.719   4.016
   71   3HD2  LEU   9          HD23      LEU   9   6.659   1.183   4.439
   72    H    ALA  10           HN       ALA  10   5.501  -3.840   2.297
   73    HA   ALA  10           HA       ALA  10   2.892  -3.301   2.834
   74   1HB   ALA  10          HB1       ALA  10   4.166  -5.737   1.715
   75   2HB   ALA  10          HB2       ALA  10   3.249  -4.485   0.889
   76   3HB   ALA  10          HB3       ALA  10   2.427  -5.651   1.918
   77    H    ALA  11           HN       ALA  11   4.563  -6.247   3.937
   78    HA   ALA  11           HA       ALA  11   2.561  -7.090   5.720
   79   1HB   ALA  11          HB1       ALA  11   4.748  -8.272   4.783
   80   2HB   ALA  11          HB2       ALA  11   3.986  -8.781   6.291
   81   3HB   ALA  11          HB3       ALA  11   5.400  -7.726   6.329
   82    H    GLU  12           HN       GLU  12   5.546  -5.270   6.210
   83    HA   GLU  12           HA       GLU  12   5.928  -4.856   8.755
   84   1HB   GLU  12          HB2       GLU  12   6.766  -3.496   6.699
   85   2HB   GLU  12          HB1       GLU  12   5.524  -2.347   7.178
   86   1HG   GLU  12          HG2       GLU  12   7.001  -3.079   9.490
   87   2HG   GLU  12          HG1       GLU  12   8.140  -2.665   8.209
   88    H    ARG  13           HN       ARG  13   3.336  -2.874   7.162
   89    HA   ARG  13           HA       ARG  13   2.425  -1.914   9.658
   90   1HB   ARG  13          HB2       ARG  13   1.591  -1.717   6.873
   91   2HB   ARG  13          HB1       ARG  13   0.272  -1.649   8.019
   92   1HG   ARG  13          HG2       ARG  13   1.202   0.570   7.360
   93   2HG   ARG  13          HG1       ARG  13   1.175   0.264   9.095
   94   1HD   ARG  13          HD2       ARG  13   3.622  -0.610   8.627
   95   2HD   ARG  13          HD1       ARG  13   3.487   0.450   7.227
   96    HE   ARG  13           HE       ARG  13   2.697   1.773   9.618
   97   1HH1  ARG  13          HH11      ARG  13   5.493   0.745   7.800
   98   2HH1  ARG  13          HH12      ARG  13   6.525   1.973   8.454
   99   1HH2  ARG  13          HH21      ARG  13   4.052   3.388  10.479
  100   2HH2  ARG  13          HH22      ARG  13   5.707   3.473   9.975
  101    H    GLN  14           HN       GLN  14   1.231  -4.346   7.510
  102    HA   GLN  14           HA       GLN  14   0.135  -6.327   7.936
  103   1HB   GLN  14          HB2       GLN  14   1.227  -6.124  10.282
  104   2HB   GLN  14          HB1       GLN  14  -0.334  -5.498  10.792
  105   1HG   GLN  14          HG2       GLN  14  -1.420  -7.517  10.360
  106   2HG   GLN  14          HG1       GLN  14  -0.097  -8.117   9.360
  107   1HE2  GLN  14          HE21      GLN  14  -1.567  -8.625  12.160
  108   2HE2  GLN  14          HE22      GLN  14  -0.251  -9.188  13.127
  109    H    THR  15           HN       THR  15  -1.489  -5.658   6.601
  110    HA   THR  15           HA       THR  15  -3.733  -5.440   6.153
  111    HB   THR  15           HB       THR  15  -4.247  -4.285   8.881
  112    HG1  THR  15           HG1      THR  15  -4.209  -7.050   8.269
  113   1HG2  THR  15          HG21      THR  15  -6.344  -4.358   8.197
  114   2HG2  THR  15          HG22      THR  15  -6.218  -6.117   8.136
  115   3HG2  THR  15          HG23      THR  15  -5.878  -5.157   6.695
  116    H    SER  16           HN       SER  16  -1.468  -3.164   6.877
  117    HA   SER  16           HA       SER  16  -3.249  -0.955   6.129
  118   1HB   SER  16          HB2       SER  16  -1.503  -1.035   8.239
  119   2HB   SER  16          HB1       SER  16  -0.568  -0.178   7.019
  120    HG   SER  16           HG       SER  16  -2.721   0.653   8.450
  121    H    VAL  17           HN       VAL  17   0.284  -0.725   5.688
  122    HA   VAL  17           HA       VAL  17  -0.022   0.234   3.166
  123    HB   VAL  17           HB       VAL  17   1.930   0.855   3.975
  124   1HG1  VAL  17          HG11      VAL  17   3.657  -1.014   4.726
  125   2HG1  VAL  17          HG12      VAL  17   2.177  -1.933   4.996
  126   3HG1  VAL  17          HG13      VAL  17   2.424  -0.395   5.821
  127   1HG2  VAL  17          HG21      VAL  17   2.678  -1.464   2.182
  128   2HG2  VAL  17          HG22      VAL  17   3.739  -0.120   2.605
  129   3HG2  VAL  17          HG23      VAL  17   2.269   0.174   1.675
  130    H    GLU  18           HN       GLU  18   0.733  -3.225   3.899
  131    HA   GLU  18           HA       GLU  18   1.000  -4.105   1.280
  132   1HB   GLU  18          HB2       GLU  18   1.132  -5.552   3.338
  133   2HB   GLU  18          HB1       GLU  18  -0.619  -5.528   3.415
  134   1HG   GLU  18          HG2       GLU  18  -0.830  -7.071   1.821
  135   2HG   GLU  18          HG1       GLU  18   0.423  -6.341   0.816
  136    H    ARG  19           HN       ARG  19  -2.030  -3.703   3.105
  137    HA   ARG  19           HA       ARG  19  -3.847  -4.441   1.179
  138   1HB   ARG  19          HB2       ARG  19  -3.957  -2.426   3.385
  139   2HB   ARG  19          HB1       ARG  19  -5.305  -2.562   2.265
  140   1HG   ARG  19          HG2       ARG  19  -4.218  -4.899   3.808
  141   2HG   ARG  19          HG1       ARG  19  -5.511  -3.858   4.408
  142   1HD   ARG  19          HD2       ARG  19  -6.654  -4.367   2.148
  143   2HD   ARG  19          HD1       ARG  19  -5.517  -5.711   2.054
  144    HE   ARG  19           HE       ARG  19  -6.718  -6.802   3.671
  145   1HH1  ARG  19          HH11      ARG  19  -7.699  -3.454   3.594
  146   2HH1  ARG  19          HH12      ARG  19  -9.032  -3.690   4.674
  147   1HH2  ARG  19          HH21      ARG  19  -8.470  -7.113   5.094
  148   2HH2  ARG  19          HH22      ARG  19  -9.470  -5.767   5.527
  149    H    LEU  20           HN       LEU  20  -2.300  -1.427   1.696
  150    HA   LEU  20           HA       LEU  20  -3.535   0.069  -0.336
  151   1HB   LEU  20          HB2       LEU  20  -0.754   0.786   0.263
  152   2HB   LEU  20          HB1       LEU  20  -2.195   1.779   0.235
  153    HG   LEU  20           HG       LEU  20  -1.393  -0.058   2.468
  154   1HD1  LEU  20          HD11      LEU  20   0.097   1.817   2.315
  155   2HD1  LEU  20          HD12      LEU  20  -1.003   2.071   3.672
  156   3HD1  LEU  20          HD13      LEU  20  -1.262   2.919   2.149
  157   1HD2  LEU  20          HD21      LEU  20  -3.704   1.843   2.141
  158   2HD2  LEU  20          HD22      LEU  20  -3.195   1.180   3.693
  159   3HD2  LEU  20          HD23      LEU  20  -3.773   0.104   2.421
  160    H    VAL  21           HN       VAL  21  -0.481  -1.703  -0.350
  161    HA   VAL  21           HA       VAL  21   0.447  -0.942  -2.763
  162    HB   VAL  21           HB       VAL  21   1.711  -3.027  -2.851
  163   1HG1  VAL  21          HG11      VAL  21   2.983  -2.577  -1.027
  164   2HG1  VAL  21          HG12      VAL  21   1.598  -2.495   0.058
  165   3HG1  VAL  21          HG13      VAL  21   1.963  -1.143  -1.012
  166   1HG2  VAL  21          HG21      VAL  21  -0.457  -4.298  -1.873
  167   2HG2  VAL  21          HG22      VAL  21   0.529  -4.163  -0.427
  168   3HG2  VAL  21          HG23      VAL  21   1.164  -4.961  -1.847
  169    H    GLN  22           HN       GLN  22  -1.953  -3.527  -2.225
  170    HA   GLN  22           HA       GLN  22  -2.140  -4.116  -5.002
  171   1HB   GLN  22          HB2       GLN  22  -3.659  -4.854  -2.574
  172   2HB   GLN  22          HB1       GLN  22  -4.513  -4.996  -4.106
  173   1HG   GLN  22          HG2       GLN  22  -3.053  -6.615  -4.913
  174   2HG   GLN  22          HG1       GLN  22  -1.804  -6.210  -3.735
  175   1HE2  GLN  22          HE21      GLN  22  -4.665  -8.014  -4.367
  176   2HE2  GLN  22          HE22      GLN  22  -4.699  -8.898  -2.883
  177    H    GLN  23           HN       GLN  23  -4.597  -2.527  -2.963
  178    HA   GLN  23           HA       GLN  23  -6.253  -1.707  -5.001
  179   1HB   GLN  23          HB2       GLN  23  -5.699  -0.771  -2.257
  180   2HB   GLN  23          HB1       GLN  23  -6.487   0.397  -3.305
  181   1HG   GLN  23          HG2       GLN  23  -8.389  -0.572  -2.700
  182   2HG   GLN  23          HG1       GLN  23  -7.922  -1.888  -3.775
  183   1HE2  GLN  23          HE21      GLN  23  -8.681  -1.007  -0.622
  184   2HE2  GLN  23          HE22      GLN  23  -8.229  -2.474   0.170
  185    H    PHE  24           HN       PHE  24  -3.654   0.233  -3.555
  186    HA   PHE  24           HA       PHE  24  -3.846   2.421  -5.158
  187   1HB   PHE  24          HB2       PHE  24  -1.741   1.354  -3.425
  188   2HB   PHE  24          HB1       PHE  24  -1.209   2.508  -4.650
  189    HD1  PHE  24           HD1      PHE  24  -2.390   2.277  -1.419
  190    HD2  PHE  24           HD2      PHE  24  -2.963   4.490  -4.991
  191    HE1  PHE  24           HE1      PHE  24  -3.466   4.075  -0.139
  192    HE2  PHE  24           HE2      PHE  24  -4.040   6.291  -3.722
  193    HZ   PHE  24           HZ       PHE  24  -4.318   6.058  -1.299
  194    H    ALA  25           HN       ALA  25  -1.946  -0.497  -5.877
  195    HA   ALA  25           HA       ALA  25  -0.623   0.375  -8.131
  196   1HB   ALA  25          HB1       ALA  25  -2.087  -2.225  -8.331
  197   2HB   ALA  25          HB2       ALA  25  -0.870  -2.046  -7.067
  198   3HB   ALA  25          HB3       ALA  25  -0.421  -1.840  -8.760
  199    H    ASP  26           HN       ASP  26  -3.971  -0.707  -7.754
  200    HA   ASP  26           HA       ASP  26  -4.796  -0.115 -10.414
  201   1HB   ASP  26          HB2       ASP  26  -5.980  -1.469  -8.459
  202   2HB   ASP  26          HB1       ASP  26  -6.711   0.098  -8.126
  203    H    ALA  27           HN       ALA  27  -5.009   1.689  -7.341
  204    HA   ALA  27           HA       ALA  27  -6.339   3.964  -7.909
  205   1HB   ALA  27          HB1       ALA  27  -5.558   3.995  -5.799
  206   2HB   ALA  27          HB2       ALA  27  -4.464   5.151  -6.545
  207   3HB   ALA  27          HB3       ALA  27  -3.938   3.498  -6.270
  208    H    GLY  28           HN       GLY  28  -2.841   4.016  -8.042
  209   1HA   GLY  28          HA2       GLY  28  -2.174   4.755 -10.581
  210   2HA   GLY  28          HA1       GLY  28  -2.686   6.267  -9.829
  211    H    ILE  29           HN       ILE  29  -1.239   3.570  -8.255
  212    HA   ILE  29           HA       ILE  29   1.216   5.040  -7.609
  213    HB   ILE  29           HB       ILE  29  -0.642   3.429  -5.868
  214   1HG1  ILE  29          HG12      ILE  29  -0.413   5.413  -4.381
  215   2HG1  ILE  29          HG11      ILE  29   0.601   6.165  -5.607
  216   1HG2  ILE  29          HG21      ILE  29   2.220   4.101  -5.233
  217   2HG2  ILE  29          HG22      ILE  29   1.490   2.496  -5.320
  218   3HG2  ILE  29          HG23      ILE  29   1.026   3.607  -4.035
  219   1HD1  ILE  29          HD11      ILE  29  -1.150   6.751  -6.861
  220   2HD1  ILE  29          HD12      ILE  29  -2.073   6.507  -5.378
  221   3HD1  ILE  29          HD13      ILE  29  -1.989   5.225  -6.588
  222    H    ARG  30           HN       ARG  30   2.813   3.112  -6.594
  223    HA   ARG  30           HA       ARG  30   3.167   1.405  -8.868
  224   1HB   ARG  30          HB2       ARG  30   4.705   1.419  -6.267
  225   2HB   ARG  30          HB1       ARG  30   5.205   0.670  -7.777
  226   1HG   ARG  30          HG2       ARG  30   5.884   2.615  -8.679
  227   2HG   ARG  30          HG1       ARG  30   4.592   3.545  -7.917
  228   1HD   ARG  30          HD2       ARG  30   5.783   3.865  -5.977
  229   2HD   ARG  30          HD1       ARG  30   6.759   2.414  -6.211
  230    HE   ARG  30           HE       ARG  30   7.584   3.967  -8.232
  231   1HH1  ARG  30          HH11      ARG  30   7.167   4.631  -4.831
  232   2HH1  ARG  30          HH12      ARG  30   8.424   5.820  -4.782
  233   1HH2  ARG  30          HH21      ARG  30   9.236   5.532  -8.169
  234   2HH2  ARG  30          HH22      ARG  30   9.599   6.332  -6.676
  235    H    LYS  31           HN       LYS  31   3.418  -0.923  -8.689
  236    HA   LYS  31           HA       LYS  31   1.132  -2.027  -7.373
  237   1HB   LYS  31          HB2       LYS  31   2.112  -2.468  -9.764
  238   2HB   LYS  31          HB1       LYS  31   3.016  -3.721  -8.926
  239   1HG   LYS  31          HG2       LYS  31   1.241  -5.053  -8.802
  240   2HG   LYS  31          HG1       LYS  31   0.205  -3.750  -8.219
  241   1HD   LYS  31          HD2       LYS  31  -0.827  -3.999 -10.204
  242   2HD   LYS  31          HD1       LYS  31   0.520  -3.038 -10.817
  243   1HE   LYS  31          HE2       LYS  31   1.621  -4.894 -11.672
  244   2HE   LYS  31          HE1       LYS  31   0.753  -6.014 -10.623
  245   1HZ   LYS  31          HZ1       LYS  31  -0.816  -4.494 -12.562
  246   2HZ   LYS  31          HZ2       LYS  31  -1.024  -6.079 -12.007
  247   3HZ   LYS  31          HZ3       LYS  31   0.162  -5.738 -13.163
  248    H    SER  32           HN       SER  32   1.069  -4.102  -6.459
  249    HA   SER  32           HA       SER  32   2.935  -4.383  -4.262
  250   1HB   SER  32          HB2       SER  32   1.221  -5.869  -3.341
  251   2HB   SER  32          HB1       SER  32   0.514  -4.339  -3.858
  252    HG   SER  32           HG       SER  32   0.465  -6.799  -5.266
  253    H    ALA  33           HN       ALA  33   3.143  -6.717  -3.464
  254    HA   ALA  33           HA       ALA  33   3.619  -8.957  -3.778
  255   1HB   ALA  33          HB1       ALA  33   4.136  -8.608  -6.697
  256   2HB   ALA  33          HB2       ALA  33   2.475  -8.666  -6.107
  257   3HB   ALA  33          HB3       ALA  33   3.562 -10.024  -5.815
  258    H    ASP  34           HN       ASP  34   5.386  -7.318  -2.703
  259    HA   ASP  34           HA       ASP  34   7.624  -6.863  -2.439
  260   1HB   ASP  34          HB2       ASP  34   7.646  -9.332  -2.239
  261   2HB   ASP  34          HB1       ASP  34   7.938  -9.454  -3.972
  262    H    ASP  35           HN       ASP  35   7.980  -5.046  -3.582
  263    HA   ASP  35           HA       ASP  35   9.787  -4.997  -5.688
  264   1HB   ASP  35          HB2       ASP  35   7.816  -5.978  -6.964
  265   2HB   ASP  35          HB1       ASP  35   7.000  -4.437  -6.737
  266    H    SER  36           HN       SER  36   7.570  -2.651  -6.667
  267    HA   SER  36           HA       SER  36   8.509  -0.833  -4.547
  268   1HB   SER  36          HB2       SER  36   8.363  -0.333  -7.525
  269   2HB   SER  36          HB1       SER  36   8.449   0.984  -6.356
  270    HG   SER  36           HG       SER  36  10.440   0.259  -5.699
  271    H    VAL  37           HN       VAL  37   7.003   0.130  -3.460
  272    HA   VAL  37           HA       VAL  37   4.432   0.832  -4.624
  273    HB   VAL  37           HB       VAL  37   4.505  -1.497  -3.399
  274   1HG1  VAL  37          HG11      VAL  37   3.565   0.043  -1.058
  275   2HG1  VAL  37          HG12      VAL  37   5.309  -0.065  -1.292
  276   3HG1  VAL  37          HG13      VAL  37   4.351  -1.529  -1.131
  277   1HG2  VAL  37          HG21      VAL  37   2.280  -1.402  -3.622
  278   2HG2  VAL  37          HG22      VAL  37   2.570   0.219  -4.245
  279   3HG2  VAL  37          HG23      VAL  37   2.141  -0.009  -2.551
  280    H    SER  38           HN       SER  38   3.033   1.897  -2.731
  281    HA   SER  38           HA       SER  38   4.825   3.828  -1.436
  282   1HB   SER  38          HB2       SER  38   3.128   4.692  -3.099
  283   2HB   SER  38          HB1       SER  38   1.869   4.163  -1.982
  284    HG   SER  38           HG       SER  38   3.208   6.433  -1.946
  285    H    ALA  39           HN       ALA  39   4.987   3.683   0.751
  286    HA   ALA  39           HA       ALA  39   3.187   1.957   2.211
  287   1HB   ALA  39          HB1       ALA  39   5.117   1.435   3.195
  288   2HB   ALA  39          HB2       ALA  39   5.018   2.994   4.015
  289   3HB   ALA  39          HB3       ALA  39   5.928   2.844   2.512
  290    H    GLN  40           HN       GLN  40   2.326   2.676   4.307
  291    HA   GLN  40           HA       GLN  40   0.908   4.049   5.439
  292   1HB   GLN  40          HB2       GLN  40   3.429   5.292   5.344
  293   2HB   GLN  40          HB1       GLN  40   2.270   6.565   4.987
  294   1HG   GLN  40          HG2       GLN  40   1.028   5.556   7.077
  295   2HG   GLN  40          HG1       GLN  40   2.647   4.978   7.468
  296   1HE2  GLN  40          HE21      GLN  40   3.743   6.276   8.736
  297   2HE2  GLN  40          HE22      GLN  40   3.599   7.996   8.815
  298    H    GLU  41           HN       GLU  41   0.778   3.800   2.425
  299    HA   GLU  41           HA       GLU  41  -0.223   6.194   1.358
  300   1HB   GLU  41          HB2       GLU  41   0.135   3.519   0.498
  301   2HB   GLU  41          HB1       GLU  41  -1.551   3.921   0.224
  302   1HG   GLU  41          HG2       GLU  41   0.833   5.447  -0.796
  303   2HG   GLU  41          HG1       GLU  41  -0.211   4.386  -1.741
  304    H    LYS  42           HN       LYS  42  -1.401   3.909   3.597
  305    HA   LYS  42           HA       LYS  42  -3.537   3.454   4.421
  306   1HB   LYS  42          HB2       LYS  42  -2.404   5.942   5.201
  307   2HB   LYS  42          HB1       LYS  42  -4.152   6.130   5.159
  308   1HG   LYS  42          HG2       LYS  42  -4.478   4.767   6.922
  309   2HG   LYS  42          HG1       LYS  42  -3.161   3.685   6.465
  310   1HD   LYS  42          HD2       LYS  42  -1.530   5.108   7.411
  311   2HD   LYS  42          HD1       LYS  42  -2.675   6.443   7.561
  312   1HE   LYS  42          HE2       LYS  42  -3.900   5.260   9.268
  313   2HE   LYS  42          HE1       LYS  42  -2.887   3.832   9.055
  314   1HZ   LYS  42          HZ1       LYS  42  -0.972   5.345   9.687
  315   2HZ   LYS  42          HZ2       LYS  42  -2.040   4.914  10.927
  316   3HZ   LYS  42          HZ3       LYS  42  -2.142   6.447  10.219
  317    H    GLN  43           HN       GLN  43  -3.920   6.597   2.774
  318    HA   GLN  43           HA       GLN  43  -6.570   6.793   2.444
  319   1HB   GLN  43          HB2       GLN  43  -4.279   7.539   0.713
  320   2HB   GLN  43          HB1       GLN  43  -5.888   7.658   0.013
  321   1HG   GLN  43          HG2       GLN  43  -6.381   9.489   1.176
  322   2HG   GLN  43          HG1       GLN  43  -5.724   8.826   2.671
  323   1HE2  GLN  43          HE21      GLN  43  -3.130   8.452   2.137
  324   2HE2  GLN  43          HE22      GLN  43  -2.354   9.947   1.754
  325    H    THR  44           HN       THR  44  -4.698   4.249   1.032
  326    HA   THR  44           HA       THR  44  -6.035   3.580  -1.243
  327    HB   THR  44           HB       THR  44  -4.128   2.378   0.276
  328    HG1  THR  44           HG1      THR  44  -5.654   1.431  -1.894
  329   1HG2  THR  44          HG21      THR  44  -6.518   0.546   0.433
  330   2HG2  THR  44          HG22      THR  44  -5.670   1.280   1.792
  331   3HG2  THR  44          HG23      THR  44  -4.851   0.096   0.782
  332    H    LEU  45           HN       LEU  45  -6.974   2.653   2.066
  333    HA   LEU  45           HA       LEU  45  -9.256   1.190   1.354
  334   1HB   LEU  45          HB2       LEU  45  -8.690   2.696   3.906
  335   2HB   LEU  45          HB1       LEU  45  -9.939   1.482   3.702
  336    HG   LEU  45           HG       LEU  45  -6.958   1.033   3.565
  337   1HD1  LEU  45          HD11      LEU  45  -7.849  -0.628   5.457
  338   2HD1  LEU  45          HD12      LEU  45  -9.037   0.663   5.632
  339   3HD1  LEU  45          HD13      LEU  45  -7.317   1.018   5.797
  340   1HD2  LEU  45          HD21      LEU  45  -8.130  -0.360   1.932
  341   2HD2  LEU  45          HD22      LEU  45  -9.211  -0.938   3.199
  342   3HD2  LEU  45          HD23      LEU  45  -7.492  -1.325   3.262
  343    H    ILE  46           HN       ILE  46  -9.060   4.535   2.599
  344    HA   ILE  46           HA       ILE  46 -11.806   5.068   2.289
  345    HB   ILE  46           HB       ILE  46 -10.137   6.342   3.707
  346   1HG1  ILE  46          HG12      ILE  46 -11.542   8.499   2.369
  347   2HG1  ILE  46          HG11      ILE  46 -12.570   7.083   2.562
  348   1HG2  ILE  46          HG21      ILE  46  -9.654   7.874   1.164
  349   2HG2  ILE  46          HG22      ILE  46  -8.499   6.771   1.914
  350   3HG2  ILE  46          HG23      ILE  46  -8.999   8.233   2.762
  351   1HD1  ILE  46          HD11      ILE  46 -12.795   7.425   4.746
  352   2HD1  ILE  46          HD12      ILE  46 -12.136   9.031   4.437
  353   3HD1  ILE  46          HD13      ILE  46 -11.072   7.728   4.967
  354    H    ASP  47           HN       ASP  47  -9.059   5.966   0.216
  355    HA   ASP  47           HA       ASP  47 -10.512   7.368  -1.712
  356   1HB   ASP  47          HB2       ASP  47  -7.887   6.889  -1.321
  357   2HB   ASP  47          HB1       ASP  47  -8.190   5.804  -2.675
  358    H    HIS  48           HN       HIS  48  -9.131   4.129  -2.249
  359    HA   HIS  48           HA       HIS  48 -10.511   3.485  -4.529
  360   1HB   HIS  48          HB2       HIS  48  -9.591   1.660  -2.304
  361   2HB   HIS  48          HB1       HIS  48 -10.142   1.092  -3.876
  362    HD1  HIS  48           HD1      HIS  48  -7.411   3.274  -2.400
  363    HD2  HIS  48           HD2      HIS  48  -8.183   0.975  -5.773
  364    HE1  HIS  48           HE1      HIS  48  -5.262   3.264  -3.727
  365    HE2  HIS  48           HE2      HIS  48  -5.831   2.019  -5.826
  366    H    LEU  49           HN       LEU  49 -11.510   2.732  -1.190
  367    HA   LEU  49           HA       LEU  49 -13.854   1.367  -1.766
  368   1HB   LEU  49          HB2       LEU  49 -12.862   1.565   0.480
  369   2HB   LEU  49          HB1       LEU  49 -13.365   3.243   0.546
  370    HG   LEU  49           HG       LEU  49 -15.705   1.814  -0.019
  371   1HD1  LEU  49          HD11      LEU  49 -15.771  -0.097   1.162
  372   2HD1  LEU  49          HD12      LEU  49 -14.722   0.528   2.434
  373   3HD1  LEU  49          HD13      LEU  49 -14.022  -0.073   0.931
  374   1HD2  LEU  49          HD21      LEU  49 -14.555   3.354   2.223
  375   2HD2  LEU  49          HD22      LEU  49 -15.943   2.332   2.600
  376   3HD2  LEU  49          HD23      LEU  49 -16.074   3.572   1.353
  377    H    ASN  50           HN       ASN  50 -13.792   4.770  -0.697
  378    HA   ASN  50           HA       ASN  50 -16.409   5.351  -1.486
  379   1HB   ASN  50          HB2       ASN  50 -13.998   7.086  -0.994
  380   2HB   ASN  50          HB1       ASN  50 -15.546   7.777  -1.471
  381   1HD2  ASN  50          HD21      ASN  50 -15.201   8.847   0.651
  382   2HD2  ASN  50          HD22      ASN  50 -15.803   8.046   2.059
  Start of MODEL    8
    1   1H    THR   2          HT1       THR   2   6.236   9.070   2.845
    2   2H    THR   2          HT2       THR   2   6.472   7.389   3.100
    3   3H    THR   2          HT3       THR   2   5.226   7.934   2.052
    4    HA   THR   2           HA       THR   2   6.870   8.876   0.591
    5    HB   THR   2           HB       THR   2   8.580   9.267   2.305
    6    HG1  THR   2           HG1      THR   2   9.212   8.976   0.089
    7   1HG2  THR   2          HG21      THR   2   8.684   6.279   2.442
    8   2HG2  THR   2          HG22      THR   2   8.537   7.448   3.755
    9   3HG2  THR   2          HG23      THR   2  10.064   7.281   2.890
   10    H    ASP   3           HN       ASP   3   8.368   7.380  -0.819
   11    HA   ASP   3           HA       ASP   3   6.871   4.902  -1.175
   12   1HB   ASP   3          HB2       ASP   3   8.741   6.474  -2.934
   13   2HB   ASP   3          HB1       ASP   3   8.267   4.827  -3.342
   14    H    VAL   4           HN       VAL   4   7.629   2.996  -0.567
   15    HA   VAL   4           HA       VAL   4  10.515   2.540  -0.458
   16    HB   VAL   4           HB       VAL   4   9.693   3.235   1.832
   17   1HG1  VAL   4          HG11      VAL   4   8.362   1.749   3.135
   18   2HG1  VAL   4          HG12      VAL   4   8.360   0.535   1.856
   19   3HG1  VAL   4          HG13      VAL   4   7.496   2.056   1.630
   20   1HG2  VAL   4          HG21      VAL   4  11.232   1.908   2.848
   21   2HG2  VAL   4          HG22      VAL   4  11.633   1.544   1.170
   22   3HG2  VAL   4          HG23      VAL   4  10.624   0.434   2.097
   23    H    THR   5           HN       THR   5  10.909   0.093  -0.006
   24    HA   THR   5           HA       THR   5   9.363  -1.339  -1.933
   25    HB   THR   5           HB       THR   5  10.863  -3.160  -1.562
   26    HG1  THR   5           HG1      THR   5  11.662  -1.859   0.825
   27   1HG2  THR   5          HG21      THR   5  13.141  -1.874  -1.195
   28   2HG2  THR   5          HG22      THR   5  12.106  -0.477  -1.493
   29   3HG2  THR   5          HG23      THR   5  12.227  -1.758  -2.698
   30    H    ILE   6           HN       ILE   6   7.566  -2.444  -1.627
   31    HA   ILE   6           HA       ILE   6   6.615  -2.815   1.091
   32    HB   ILE   6           HB       ILE   6   4.466  -3.486   0.054
   33   1HG1  ILE   6          HG12      ILE   6   4.152  -2.957  -2.351
   34   2HG1  ILE   6          HG11      ILE   6   5.888  -2.724  -2.506
   35   1HG2  ILE   6          HG21      ILE   6   5.600  -0.808  -0.717
   36   2HG2  ILE   6          HG22      ILE   6   4.821  -1.231   0.807
   37   3HG2  ILE   6          HG23      ILE   6   3.883  -1.212  -0.687
   38   1HD1  ILE   6          HD11      ILE   6   4.714  -5.301  -1.534
   39   2HD1  ILE   6          HD12      ILE   6   6.320  -4.995  -2.191
   40   3HD1  ILE   6          HD13      ILE   6   4.914  -4.943  -3.246
   41    H    LYS   7           HN       LYS   7   5.029  -4.754   1.152
   42    HA   LYS   7           HA       LYS   7   4.632  -7.053   0.999
   43   1HB   LYS   7          HB2       LYS   7   6.641  -7.022  -0.783
   44   2HB   LYS   7          HB1       LYS   7   7.465  -7.803   0.556
   45   1HG   LYS   7          HG2       LYS   7   4.817  -8.735  -0.517
   46   2HG   LYS   7          HG1       LYS   7   6.365  -9.338  -1.103
   47   1HD   LYS   7          HD2       LYS   7   6.675 -10.631   0.706
   48   2HD   LYS   7          HD1       LYS   7   6.114  -9.375   1.810
   49   1HE   LYS   7          HE2       LYS   7   4.235 -10.961   0.080
   50   2HE   LYS   7          HE1       LYS   7   4.729 -11.507   1.682
   51   1HZ   LYS   7          HZ1       LYS   7   2.612  -9.939   1.205
   52   2HZ   LYS   7          HZ2       LYS   7   3.785  -8.775   1.565
   53   3HZ   LYS   7          HZ3       LYS   7   3.435  -9.995   2.683
   54    H    THR   8           HN       THR   8   8.059  -6.793   2.046
   55    HA   THR   8           HA       THR   8   7.511  -7.985   4.581
   56    HB   THR   8           HB       THR   8   9.757  -7.206   5.218
   57    HG1  THR   8           HG1      THR   8   9.738  -5.783   2.766
   58   1HG2  THR   8          HG21      THR   8   9.883  -9.159   3.900
   59   2HG2  THR   8          HG22      THR   8  11.116  -8.054   3.289
   60   3HG2  THR   8          HG23      THR   8   9.600  -8.256   2.412
   61    H    LEU   9           HN       LEU   9   7.754  -4.813   3.233
   62    HA   LEU   9           HA       LEU   9   7.174  -3.285   5.567
   63   1HB   LEU   9          HB2       LEU   9   8.167  -2.701   3.097
   64   2HB   LEU   9          HB1       LEU   9   6.510  -2.151   2.927
   65    HG   LEU   9           HG       LEU   9   7.851  -0.287   3.600
   66   1HD1  LEU   9          HD11      LEU   9   6.607   0.487   5.397
   67   2HD1  LEU   9          HD12      LEU   9   6.519  -1.105   6.150
   68   3HD1  LEU   9          HD13      LEU   9   5.571  -0.761   4.703
   69   1HD2  LEU   9          HD21      LEU   9   8.717  -1.899   5.994
   70   2HD2  LEU   9          HD22      LEU   9   9.226  -0.265   5.569
   71   3HD2  LEU   9          HD23      LEU   9   9.706  -1.628   4.559
   72    H    ALA  10           HN       ALA  10   5.408  -4.527   2.792
   73    HA   ALA  10           HA       ALA  10   2.942  -3.433   2.974
   74   1HB   ALA  10          HB1       ALA  10   3.182  -4.931   1.230
   75   2HB   ALA  10          HB2       ALA  10   2.088  -5.783   2.316
   76   3HB   ALA  10          HB3       ALA  10   3.789  -6.199   2.286
   77    H    ALA  11           HN       ALA  11   4.094  -6.287   4.736
   78    HA   ALA  11           HA       ALA  11   1.772  -6.602   6.341
   79   1HB   ALA  11          HB1       ALA  11   4.556  -7.688   6.406
   80   2HB   ALA  11          HB2       ALA  11   3.021  -8.542   6.248
   81   3HB   ALA  11          HB3       ALA  11   3.513  -7.896   7.813
   82    H    GLU  12           HN       GLU  12   4.957  -5.177   6.869
   83    HA   GLU  12           HA       GLU  12   5.170  -4.415   9.359
   84   1HB   GLU  12          HB2       GLU  12   6.464  -3.585   7.287
   85   2HB   GLU  12          HB1       GLU  12   5.365  -2.213   7.336
   86   1HG   GLU  12          HG2       GLU  12   6.168  -1.497   9.412
   87   2HG   GLU  12          HG1       GLU  12   6.952  -3.042   9.738
   88    H    ARG  13           HN       ARG  13   3.121  -2.332   7.184
   89    HA   ARG  13           HA       ARG  13   2.193  -0.837   9.388
   90   1HB   ARG  13          HB2       ARG  13   2.030  -0.485   6.733
   91   2HB   ARG  13          HB1       ARG  13   0.396  -1.029   7.070
   92   1HG   ARG  13          HG2       ARG  13   0.661   1.433   7.086
   93   2HG   ARG  13          HG1       ARG  13   0.055   0.780   8.610
   94   1HD   ARG  13          HD2       ARG  13   1.795   1.605   9.730
   95   2HD   ARG  13          HD1       ARG  13   2.935   0.870   8.607
   96    HE   ARG  13           HE       ARG  13   3.064   2.868   7.447
   97   1HH1  ARG  13          HH11      ARG  13   0.578   3.062   9.895
   98   2HH1  ARG  13          HH12      ARG  13   0.434   4.784   9.784
   99   1HH2  ARG  13          HH21      ARG  13   2.867   5.128   7.301
  100   2HH2  ARG  13          HH22      ARG  13   1.726   5.955   8.310
  101    H    GLN  14           HN       GLN  14   0.781  -3.463   7.638
  102    HA   GLN  14           HA       GLN  14  -0.598  -5.165   8.351
  103   1HB   GLN  14          HB2       GLN  14   0.329  -4.267  10.761
  104   2HB   GLN  14          HB1       GLN  14  -1.394  -3.947  10.916
  105   1HG   GLN  14          HG2       GLN  14  -1.950  -6.207  10.684
  106   2HG   GLN  14          HG1       GLN  14  -0.364  -6.620  10.034
  107   1HE2  GLN  14          HE21      GLN  14  -2.047  -7.451  12.450
  108   2HE2  GLN  14          HE22      GLN  14  -0.925  -7.392  13.762
  109    H    THR  15           HN       THR  15  -2.305  -4.984   7.066
  110    HA   THR  15           HA       THR  15  -4.384  -4.430   6.323
  111    HB   THR  15           HB       THR  15  -4.807  -2.900   8.888
  112    HG1  THR  15           HG1      THR  15  -5.222  -5.675   8.494
  113   1HG2  THR  15          HG21      THR  15  -7.074  -4.333   8.322
  114   2HG2  THR  15          HG22      THR  15  -6.526  -3.802   6.732
  115   3HG2  THR  15          HG23      THR  15  -6.823  -2.617   8.005
  116    H    SER  16           HN       SER  16  -1.905  -2.536   6.388
  117    HA   SER  16           HA       SER  16  -3.368  -0.198   5.384
  118   1HB   SER  16          HB2       SER  16  -1.279  -0.323   7.428
  119   2HB   SER  16          HB1       SER  16  -0.928   0.836   6.146
  120    HG   SER  16           HG       SER  16  -2.387   1.340   8.143
  121    H    VAL  17           HN       VAL  17   0.165  -0.406   5.271
  122    HA   VAL  17           HA       VAL  17   0.232   0.136   2.614
  123    HB   VAL  17           HB       VAL  17   2.142   0.591   3.850
  124   1HG1  VAL  17          HG11      VAL  17   3.089  -2.165   4.234
  125   2HG1  VAL  17          HG12      VAL  17   1.687  -1.723   5.204
  126   3HG1  VAL  17          HG13      VAL  17   3.172  -0.777   5.310
  127   1HG2  VAL  17          HG21      VAL  17   3.690   0.097   2.272
  128   2HG2  VAL  17          HG22      VAL  17   2.272  -0.486   1.402
  129   3HG2  VAL  17          HG23      VAL  17   3.306  -1.623   2.264
  130    H    GLU  18           HN       GLU  18   0.482  -3.229   3.981
  131    HA   GLU  18           HA       GLU  18   0.905  -4.532   1.562
  132   1HB   GLU  18          HB2       GLU  18   0.730  -5.713   3.739
  133   2HB   GLU  18          HB1       GLU  18  -0.999  -5.408   3.753
  134   1HG   GLU  18          HG2       GLU  18  -0.965  -6.659   1.478
  135   2HG   GLU  18          HG1       GLU  18   0.582  -7.279   2.055
  136    H    ARG  19           HN       ARG  19  -2.232  -3.888   3.049
  137    HA   ARG  19           HA       ARG  19  -3.874  -4.517   0.942
  138   1HB   ARG  19          HB2       ARG  19  -4.229  -2.434   3.081
  139   2HB   ARG  19          HB1       ARG  19  -5.504  -2.917   1.971
  140   1HG   ARG  19          HG2       ARG  19  -4.186  -5.101   3.443
  141   2HG   ARG  19          HG1       ARG  19  -5.161  -3.987   4.405
  142   1HD   ARG  19          HD2       ARG  19  -7.113  -4.593   3.378
  143   2HD   ARG  19          HD1       ARG  19  -6.312  -5.022   1.867
  144    HE   ARG  19           HE       ARG  19  -6.806  -6.739   4.124
  145   1HH1  ARG  19          HH11      ARG  19  -4.841  -6.224   1.286
  146   2HH1  ARG  19          HH12      ARG  19  -4.413  -7.894   1.127
  147   1HH2  ARG  19          HH21      ARG  19  -6.244  -8.934   3.916
  148   2HH2  ARG  19          HH22      ARG  19  -5.211  -9.434   2.619
  149    H    LEU  20           HN       LEU  20  -2.337  -1.506   1.729
  150    HA   LEU  20           HA       LEU  20  -3.401   0.097  -0.235
  151   1HB   LEU  20          HB2       LEU  20  -1.893   1.665   0.354
  152   2HB   LEU  20          HB1       LEU  20  -1.710   0.598   1.723
  153    HG   LEU  20           HG       LEU  20   0.383  -0.289   0.778
  154   1HD1  LEU  20          HD11      LEU  20   1.095   1.536  -1.182
  155   2HD1  LEU  20          HD12      LEU  20  -0.559   1.115  -1.606
  156   3HD1  LEU  20          HD13      LEU  20   0.661  -0.149  -1.450
  157   1HD2  LEU  20          HD21      LEU  20   0.764   2.623   0.589
  158   2HD2  LEU  20          HD22      LEU  20   1.602   1.426   1.565
  159   3HD2  LEU  20          HD23      LEU  20   0.016   2.017   2.060
  160    H    VAL  21           HN       VAL  21  -0.584  -2.034  -0.500
  161    HA   VAL  21           HA       VAL  21   0.230  -1.431  -3.035
  162    HB   VAL  21           HB       VAL  21   0.039  -4.243  -1.957
  163   1HG1  VAL  21          HG11      VAL  21   2.448  -3.850  -3.308
  164   2HG1  VAL  21          HG12      VAL  21   1.219  -3.075  -4.307
  165   3HG1  VAL  21          HG13      VAL  21   1.049  -4.772  -3.858
  166   1HG2  VAL  21          HG21      VAL  21   1.654  -1.959  -1.065
  167   2HG2  VAL  21          HG22      VAL  21   2.561  -3.442  -1.356
  168   3HG2  VAL  21          HG23      VAL  21   1.215  -3.442  -0.220
  169    H    GLN  22           HN       GLN  22  -2.307  -3.777  -2.127
  170    HA   GLN  22           HA       GLN  22  -2.875  -4.517  -4.792
  171   1HB   GLN  22          HB2       GLN  22  -3.937  -5.086  -2.200
  172   2HB   GLN  22          HB1       GLN  22  -5.264  -4.791  -3.315
  173   1HG   GLN  22          HG2       GLN  22  -4.870  -6.667  -4.498
  174   2HG   GLN  22          HG1       GLN  22  -3.122  -6.561  -4.294
  175   1HE2  GLN  22          HE21      GLN  22  -2.154  -7.647  -2.661
  176   2HE2  GLN  22          HE22      GLN  22  -2.988  -8.694  -1.567
  177    H    GLN  23           HN       GLN  23  -5.112  -2.624  -2.799
  178    HA   GLN  23           HA       GLN  23  -6.760  -1.780  -4.821
  179   1HB   GLN  23          HB2       GLN  23  -6.243  -1.040  -2.091
  180   2HB   GLN  23          HB1       GLN  23  -6.551   0.402  -3.042
  181   1HG   GLN  23          HG2       GLN  23  -8.629  -0.290  -2.183
  182   2HG   GLN  23          HG1       GLN  23  -8.629  -0.727  -3.891
  183   1HE2  GLN  23          HE21      GLN  23  -9.122  -1.806  -0.756
  184   2HE2  GLN  23          HE22      GLN  23  -9.199  -3.503  -1.076
  185    H    PHE  24           HN       PHE  24  -3.865  -0.183  -3.623
  186    HA   PHE  24           HA       PHE  24  -3.903   2.056  -5.184
  187   1HB   PHE  24          HB2       PHE  24  -1.652   0.613  -3.860
  188   2HB   PHE  24          HB1       PHE  24  -1.367   2.060  -4.839
  189    HD1  PHE  24           HD1      PHE  24  -3.866   0.889  -2.351
  190    HD2  PHE  24           HD2      PHE  24  -1.382   4.064  -3.694
  191    HE1  PHE  24           HE1      PHE  24  -4.795   2.319  -0.632
  192    HE2  PHE  24           HE2      PHE  24  -2.316   5.511  -1.943
  193    HZ   PHE  24           HZ       PHE  24  -4.073   4.641  -0.428
  194    H    ALA  25           HN       ALA  25  -2.567  -1.108  -6.004
  195    HA   ALA  25           HA       ALA  25  -1.350  -0.500  -8.396
  196   1HB   ALA  25          HB1       ALA  25  -1.961  -2.731  -9.169
  197   2HB   ALA  25          HB2       ALA  25  -3.243  -2.827  -7.965
  198   3HB   ALA  25          HB3       ALA  25  -1.559  -2.815  -7.454
  199    H    ASP  26           HN       ASP  26  -4.750  -1.005  -7.615
  200    HA   ASP  26           HA       ASP  26  -5.771  -0.275 -10.183
  201   1HB   ASP  26          HB2       ASP  26  -7.299   0.127  -7.619
  202   2HB   ASP  26          HB1       ASP  26  -7.908  -0.338  -9.204
  203    H    ALA  27           HN       ALA  27  -5.345   1.488  -7.111
  204    HA   ALA  27           HA       ALA  27  -6.340   3.967  -7.551
  205   1HB   ALA  27          HB1       ALA  27  -4.478   4.892  -6.222
  206   2HB   ALA  27          HB2       ALA  27  -3.691   3.321  -6.310
  207   3HB   ALA  27          HB3       ALA  27  -5.243   3.482  -5.503
  208    H    GLY  28           HN       GLY  28  -2.883   3.439  -8.066
  209   1HA   GLY  28          HA2       GLY  28  -2.252   3.976 -10.566
  210   2HA   GLY  28          HA1       GLY  28  -2.819   5.568 -10.074
  211    H    ILE  29           HN       ILE  29  -1.140   3.288  -8.033
  212    HA   ILE  29           HA       ILE  29   1.246   5.009  -7.967
  213    HB   ILE  29           HB       ILE  29   0.166   3.524  -5.566
  214   1HG1  ILE  29          HG12      ILE  29  -0.417   5.959  -4.833
  215   2HG1  ILE  29          HG11      ILE  29  -0.422   6.293  -6.562
  216   1HG2  ILE  29          HG21      ILE  29   2.448   5.331  -6.094
  217   2HG2  ILE  29          HG22      ILE  29   2.310   3.973  -4.976
  218   3HG2  ILE  29          HG23      ILE  29   1.607   5.534  -4.556
  219   1HD1  ILE  29          HD11      ILE  29  -2.306   5.078  -6.929
  220   2HD1  ILE  29          HD12      ILE  29  -2.609   5.620  -5.279
  221   3HD1  ILE  29          HD13      ILE  29  -2.003   3.990  -5.576
  222    H    ARG  30           HN       ARG  30   3.087   3.586  -6.711
  223    HA   ARG  30           HA       ARG  30   3.553   1.402  -8.458
  224   1HB   ARG  30          HB2       ARG  30   4.972   2.596  -6.120
  225   2HB   ARG  30          HB1       ARG  30   5.435   0.982  -6.638
  226   1HG   ARG  30          HG2       ARG  30   6.894   2.500  -7.711
  227   2HG   ARG  30          HG1       ARG  30   5.769   1.914  -8.938
  228   1HD   ARG  30          HD2       ARG  30   4.387   4.003  -8.384
  229   2HD   ARG  30          HD1       ARG  30   5.842   4.588  -7.578
  230    HE   ARG  30           HE       ARG  30   6.633   3.803 -10.099
  231   1HH1  ARG  30          HH11      ARG  30   4.406   6.123  -8.746
  232   2HH1  ARG  30          HH12      ARG  30   4.563   7.232 -10.068
  233   1HH2  ARG  30          HH21      ARG  30   6.842   5.259 -11.838
  234   2HH2  ARG  30          HH22      ARG  30   5.946   6.741 -11.823
  235    H    LYS  31           HN       LYS  31   2.931  -0.590  -8.296
  236    HA   LYS  31           HA       LYS  31   2.033  -1.711  -5.742
  237   1HB   LYS  31          HB2       LYS  31   0.317  -2.950  -6.967
  238   2HB   LYS  31          HB1       LYS  31   0.119  -1.215  -7.177
  239   1HG   LYS  31          HG2       LYS  31   1.675  -2.740  -9.208
  240   2HG   LYS  31          HG1       LYS  31  -0.079  -2.858  -9.211
  241   1HD   LYS  31          HD2       LYS  31  -0.246  -0.882 -10.214
  242   2HD   LYS  31          HD1       LYS  31   0.682  -0.116  -8.925
  243   1HE   LYS  31          HE2       LYS  31   2.717  -1.192 -10.187
  244   2HE   LYS  31          HE1       LYS  31   1.598  -1.195 -11.550
  245   1HZ   LYS  31          HZ1       LYS  31   1.788   1.290 -10.052
  246   2HZ   LYS  31          HZ2       LYS  31   1.662   1.037 -11.720
  247   3HZ   LYS  31          HZ3       LYS  31   3.158   0.863 -10.949
  248    H    SER  32           HN       SER  32   3.114  -3.491  -5.163
  249    HA   SER  32           HA       SER  32   4.037  -5.352  -7.175
  250   1HB   SER  32          HB2       SER  32   5.802  -3.562  -5.661
  251   2HB   SER  32          HB1       SER  32   6.264  -5.262  -5.586
  252    HG   SER  32           HG       SER  32   6.627  -3.547  -7.579
  253    H    ALA  33           HN       ALA  33   5.288  -7.159  -5.992
  254    HA   ALA  33           HA       ALA  33   4.009  -7.850  -3.436
  255   1HB   ALA  33          HB1       ALA  33   3.954 -10.235  -4.266
  256   2HB   ALA  33          HB2       ALA  33   4.305  -9.613  -5.878
  257   3HB   ALA  33          HB3       ALA  33   2.809  -9.157  -5.063
  258    H    ASP  34           HN       ASP  34   5.975  -7.103  -2.475
  259    HA   ASP  34           HA       ASP  34   8.074  -7.553  -1.571
  260   1HB   ASP  34          HB2       ASP  34   7.422 -10.076  -2.567
  261   2HB   ASP  34          HB1       ASP  34   8.932  -9.688  -3.383
  262    H    ASP  35           HN       ASP  35   8.022  -5.485  -2.879
  263    HA   ASP  35           HA       ASP  35  10.412  -5.271  -4.367
  264   1HB   ASP  35          HB2       ASP  35   8.761  -6.430  -6.004
  265   2HB   ASP  35          HB1       ASP  35   8.051  -4.832  -6.163
  266    H    SER  36           HN       SER  36   8.436  -3.087  -5.993
  267    HA   SER  36           HA       SER  36   8.744  -1.178  -3.770
  268   1HB   SER  36          HB2       SER  36   9.047   0.494  -5.831
  269   2HB   SER  36          HB1       SER  36  10.400  -0.390  -5.125
  270    HG   SER  36           HG       SER  36   9.680  -0.445  -7.603
  271    H    VAL  37           HN       VAL  37   7.099  -0.192  -3.144
  272    HA   VAL  37           HA       VAL  37   4.907   0.733  -4.792
  273    HB   VAL  37           HB       VAL  37   4.738  -1.138  -2.457
  274   1HG1  VAL  37          HG11      VAL  37   3.184   0.520  -1.801
  275   2HG1  VAL  37          HG12      VAL  37   2.249  -0.798  -2.502
  276   3HG1  VAL  37          HG13      VAL  37   2.545   0.663  -3.435
  277   1HG2  VAL  37          HG21      VAL  37   4.047  -1.219  -5.300
  278   2HG2  VAL  37          HG22      VAL  37   2.914  -1.998  -4.199
  279   3HG2  VAL  37          HG23      VAL  37   4.603  -2.498  -4.225
  280    H    SER  38           HN       SER  38   3.435   2.170  -3.151
  281    HA   SER  38           HA       SER  38   5.341   3.790  -1.642
  282   1HB   SER  38          HB2       SER  38   3.581   5.508  -1.634
  283   2HB   SER  38          HB1       SER  38   3.906   4.953  -3.276
  284    HG   SER  38           HG       SER  38   2.061   3.566  -3.039
  285    H    ALA  39           HN       ALA  39   5.415   3.629   0.559
  286    HA   ALA  39           HA       ALA  39   3.428   2.049   1.937
  287   1HB   ALA  39          HB1       ALA  39   5.038   2.590   3.913
  288   2HB   ALA  39          HB2       ALA  39   6.134   3.110   2.633
  289   3HB   ALA  39          HB3       ALA  39   5.539   1.451   2.663
  290    H    GLN  40           HN       GLN  40   2.355   2.808   3.856
  291    HA   GLN  40           HA       GLN  40   1.198   4.313   5.120
  292   1HB   GLN  40          HB2       GLN  40   3.455   5.480   5.282
  293   2HB   GLN  40          HB1       GLN  40   2.923   6.496   3.950
  294   1HG   GLN  40          HG2       GLN  40   1.031   6.329   6.176
  295   2HG   GLN  40          HG1       GLN  40   2.581   7.066   6.579
  296   1HE2  GLN  40          HE21      GLN  40   3.328   8.753   5.004
  297   2HE2  GLN  40          HE22      GLN  40   2.135   9.845   4.396
  298    H    GLU  41           HN       GLU  41   1.190   4.040   1.903
  299    HA   GLU  41           HA       GLU  41  -0.381   6.261   1.135
  300   1HB   GLU  41          HB2       GLU  41   0.903   4.181  -0.193
  301   2HB   GLU  41          HB1       GLU  41  -0.807   3.940  -0.527
  302   1HG   GLU  41          HG2       GLU  41  -0.056   5.295  -2.265
  303   2HG   GLU  41          HG1       GLU  41  -0.845   6.414  -1.153
  304    H    LYS  42           HN       LYS  42  -1.021   3.497   2.974
  305    HA   LYS  42           HA       LYS  42  -3.466   2.548   2.475
  306   1HB   LYS  42          HB2       LYS  42  -2.363   1.953   4.508
  307   2HB   LYS  42          HB1       LYS  42  -2.453   3.599   5.114
  308   1HG   LYS  42          HG2       LYS  42  -5.076   2.525   4.509
  309   2HG   LYS  42          HG1       LYS  42  -4.201   1.532   5.675
  310   1HD   LYS  42          HD2       LYS  42  -3.675   3.835   6.797
  311   2HD   LYS  42          HD1       LYS  42  -5.087   4.376   5.888
  312   1HE   LYS  42          HE2       LYS  42  -5.977   2.038   6.986
  313   2HE   LYS  42          HE1       LYS  42  -4.909   2.650   8.247
  314   1HZ   LYS  42          HZ1       LYS  42  -6.271   4.368   8.691
  315   2HZ   LYS  42          HZ2       LYS  42  -7.452   3.370   8.006
  316   3HZ   LYS  42          HZ3       LYS  42  -6.731   4.586   7.078
  317    H    GLN  43           HN       GLN  43  -2.863   5.871   3.510
  318    HA   GLN  43           HA       GLN  43  -5.335   6.793   4.211
  319   1HB   GLN  43          HB2       GLN  43  -3.205   8.115   2.532
  320   2HB   GLN  43          HB1       GLN  43  -4.648   8.966   3.067
  321   1HG   GLN  43          HG2       GLN  43  -3.237   7.583   5.215
  322   2HG   GLN  43          HG1       GLN  43  -2.283   8.835   4.420
  323   1HE2  GLN  43          HE21      GLN  43  -2.701  10.920   4.846
  324   2HE2  GLN  43          HE22      GLN  43  -3.968  11.478   5.878
  325    H    THR  44           HN       THR  44  -4.108   6.351   0.918
  326    HA   THR  44           HA       THR  44  -6.532   7.176  -0.311
  327    HB   THR  44           HB       THR  44  -4.859   5.479  -1.989
  328    HG1  THR  44           HG1      THR  44  -3.258   6.389  -0.571
  329   1HG2  THR  44          HG21      THR  44  -5.091   7.158  -3.557
  330   2HG2  THR  44          HG22      THR  44  -5.347   8.400  -2.330
  331   3HG2  THR  44          HG23      THR  44  -6.610   7.214  -2.661
  332    H    LEU  45           HN       LEU  45  -5.156   4.047   0.629
  333    HA   LEU  45           HA       LEU  45  -6.797   2.254  -0.618
  334   1HB   LEU  45          HB2       LEU  45  -4.985   1.921   1.231
  335   2HB   LEU  45          HB1       LEU  45  -6.333   2.036   2.341
  336    HG   LEU  45           HG       LEU  45  -5.788  -0.091   0.291
  337   1HD1  LEU  45          HD11      LEU  45  -5.886   0.136   3.240
  338   2HD1  LEU  45          HD12      LEU  45  -4.823  -0.817   2.207
  339   3HD1  LEU  45          HD13      LEU  45  -6.469  -1.366   2.523
  340   1HD2  LEU  45          HD21      LEU  45  -7.991  -1.047   0.861
  341   2HD2  LEU  45          HD22      LEU  45  -8.121   0.490   0.005
  342   3HD2  LEU  45          HD23      LEU  45  -8.379   0.426   1.749
  343    H    ILE  46           HN       ILE  46  -7.505   4.052   2.372
  344    HA   ILE  46           HA       ILE  46 -10.110   3.165   2.797
  345    HB   ILE  46           HB       ILE  46  -8.522   5.028   4.025
  346   1HG1  ILE  46          HG12      ILE  46 -11.507   4.971   4.425
  347   2HG1  ILE  46          HG11      ILE  46 -10.474   3.619   4.876
  348   1HG2  ILE  46          HG21      ILE  46  -9.664   7.178   4.007
  349   2HG2  ILE  46          HG22      ILE  46 -10.777   6.590   2.772
  350   3HG2  ILE  46          HG23      ILE  46  -9.063   6.773   2.400
  351   1HD1  ILE  46          HD11      ILE  46 -10.494   4.686   6.859
  352   2HD1  ILE  46          HD12      ILE  46 -10.799   6.264   6.134
  353   3HD1  ILE  46          HD13      ILE  46  -9.171   5.588   6.121
  354    H    ASP  47           HN       ASP  47  -8.809   5.730   0.789
  355    HA   ASP  47           HA       ASP  47 -11.031   6.863  -0.276
  356   1HB   ASP  47          HB2       ASP  47  -8.441   7.251  -0.697
  357   2HB   ASP  47          HB1       ASP  47  -8.813   6.352  -2.165
  358    H    HIS  48           HN       HIS  48  -9.325   4.001  -1.513
  359    HA   HIS  48           HA       HIS  48 -10.808   3.450  -3.766
  360   1HB   HIS  48          HB2       HIS  48  -9.625   1.545  -1.736
  361   2HB   HIS  48          HB1       HIS  48 -10.334   1.006  -3.248
  362    HD1  HIS  48           HD1      HIS  48  -7.469   3.162  -2.007
  363    HD2  HIS  48           HD2      HIS  48  -8.589   0.966  -5.353
  364    HE1  HIS  48           HE1      HIS  48  -5.418   3.039  -3.472
  365    HE2  HIS  48           HE2      HIS  48  -6.210   1.911  -5.569
  366    H    LEU  49           HN       LEU  49 -11.459   2.419  -0.434
  367    HA   LEU  49           HA       LEU  49 -13.755   0.956  -0.825
  368   1HB   LEU  49          HB2       LEU  49 -12.370   1.480   1.325
  369   2HB   LEU  49          HB1       LEU  49 -13.529   2.779   1.533
  370    HG   LEU  49           HG       LEU  49 -15.356   1.050   1.429
  371   1HD1  LEU  49          HD11      LEU  49 -14.951  -1.158   1.241
  372   2HD1  LEU  49          HD12      LEU  49 -13.434  -1.068   2.135
  373   3HD1  LEU  49          HD13      LEU  49 -13.483  -0.605   0.434
  374   1HD2  LEU  49          HD21      LEU  49 -15.113   0.407   3.718
  375   2HD2  LEU  49          HD22      LEU  49 -14.434   2.024   3.534
  376   3HD2  LEU  49          HD23      LEU  49 -13.364   0.627   3.649
  377    H    ASN  50           HN       ASN  50 -13.758   4.337   0.310
  378    HA   ASN  50           HA       ASN  50 -16.489   4.762  -0.167
  379   1HB   ASN  50          HB2       ASN  50 -14.133   6.521   0.341
  380   2HB   ASN  50          HB1       ASN  50 -15.614   7.269  -0.251
  381   1HD2  ASN  50          HD21      ASN  50 -15.059   8.225   2.016
  382   2HD2  ASN  50          HD22      ASN  50 -15.920   7.501   3.328
  Start of MODEL    9
    1   1H    THR   2          HT1       THR   2   7.079   9.856   2.320
    2   2H    THR   2          HT2       THR   2   6.011   8.866   1.410
    3   3H    THR   2          HT3       THR   2   7.413   9.526   0.672
    4    HA   THR   2           HA       THR   2   8.827   8.179   1.863
    5    HB   THR   2           HB       THR   2   7.780   6.620   3.623
    6    HG1  THR   2           HG1      THR   2   5.591   7.224   2.942
    7   1HG2  THR   2          HG21      THR   2   7.809   9.571   4.209
    8   2HG2  THR   2          HG22      THR   2   9.194   8.482   4.288
    9   3HG2  THR   2          HG23      THR   2   7.844   8.274   5.403
   10    H    ASP   3           HN       ASP   3   9.326   6.709   0.385
   11    HA   ASP   3           HA       ASP   3   7.255   4.782  -0.439
   12   1HB   ASP   3          HB2       ASP   3   8.306   4.734  -2.675
   13   2HB   ASP   3          HB1       ASP   3   7.694   6.334  -2.267
   14    H    VAL   4           HN       VAL   4   7.795   2.665  -0.435
   15    HA   VAL   4           HA       VAL   4  10.594   1.885  -0.169
   16    HB   VAL   4           HB       VAL   4   8.730   0.485   1.672
   17   1HG1  VAL   4          HG11      VAL   4  10.989   0.894   3.053
   18   2HG1  VAL   4          HG12      VAL   4  11.618   1.031   1.410
   19   3HG1  VAL   4          HG13      VAL   4  10.778  -0.435   1.912
   20   1HG2  VAL   4          HG21      VAL   4   9.042   2.117   3.461
   21   2HG2  VAL   4          HG22      VAL   4   8.171   2.832   2.104
   22   3HG2  VAL   4          HG23      VAL   4   9.880   3.194   2.345
   23    H    THR   5           HN       THR   5  10.608  -0.682  -0.082
   24    HA   THR   5           HA       THR   5   9.093  -1.475  -2.415
   25    HB   THR   5           HB       THR   5  10.557  -3.236  -2.662
   26    HG1  THR   5           HG1      THR   5  10.279  -4.332  -0.773
   27   1HG2  THR   5          HG21      THR   5  12.573  -1.948  -0.991
   28   2HG2  THR   5          HG22      THR   5  11.758  -0.863  -2.118
   29   3HG2  THR   5          HG23      THR   5  12.579  -2.305  -2.718
   30    H    ILE   6           HN       ILE   6   7.272  -2.527  -2.405
   31    HA   ILE   6           HA       ILE   6   5.765  -3.107  -0.152
   32    HB   ILE   6           HB       ILE   6   4.807  -2.975  -2.445
   33   1HG1  ILE   6          HG12      ILE   6   3.692  -4.039  -0.389
   34   2HG1  ILE   6          HG11      ILE   6   2.994  -4.388  -1.963
   35   1HG2  ILE   6          HG21      ILE   6   6.026  -5.697  -2.729
   36   2HG2  ILE   6          HG22      ILE   6   6.307  -4.272  -3.727
   37   3HG2  ILE   6          HG23      ILE   6   4.744  -5.084  -3.771
   38   1HD1  ILE   6          HD11      ILE   6   3.896  -6.189   0.016
   39   2HD1  ILE   6          HD12      ILE   6   4.918  -6.385  -1.402
   40   3HD1  ILE   6          HD13      ILE   6   3.170  -6.544  -1.546
   41    H    LYS   7           HN       LYS   7   5.239  -4.878   0.945
   42    HA   LYS   7           HA       LYS   7   5.330  -7.205   1.450
   43   1HB   LYS   7          HB2       LYS   7   6.874  -7.645  -0.523
   44   2HB   LYS   7          HB1       LYS   7   8.214  -7.192   0.520
   45   1HG   LYS   7          HG2       LYS   7   6.290  -9.371   1.263
   46   2HG   LYS   7          HG1       LYS   7   7.708  -9.670   0.256
   47   1HD   LYS   7          HD2       LYS   7   8.855  -9.945   2.150
   48   2HD   LYS   7          HD1       LYS   7   8.692  -8.205   2.399
   49   1HE   LYS   7          HE2       LYS   7   6.468  -8.720   3.506
   50   2HE   LYS   7          HE1       LYS   7   6.962 -10.412   3.488
   51   1HZ   LYS   7          HZ1       LYS   7   7.937  -8.211   5.120
   52   2HZ   LYS   7          HZ2       LYS   7   9.107  -9.308   4.581
   53   3HZ   LYS   7          HZ3       LYS   7   7.791  -9.855   5.493
   54    H    THR   8           HN       THR   8   8.636  -5.860   1.877
   55    HA   THR   8           HA       THR   8   8.763  -6.462   4.624
   56    HB   THR   8           HB       THR   8  10.629  -4.886   4.728
   57    HG1  THR   8           HG1      THR   8  10.085  -3.137   3.611
   58   1HG2  THR   8          HG21      THR   8  10.748  -6.160   2.012
   59   2HG2  THR   8          HG22      THR   8  10.994  -7.043   3.519
   60   3HG2  THR   8          HG23      THR   8  12.091  -5.736   3.074
   61    H    LEU   9           HN       LEU   9   7.815  -3.616   2.823
   62    HA   LEU   9           HA       LEU   9   6.985  -2.055   5.064
   63   1HB   LEU   9          HB2       LEU   9   7.568  -1.380   2.556
   64   2HB   LEU   9          HB1       LEU   9   5.844  -1.623   2.343
   65    HG   LEU   9           HG       LEU   9   5.425   0.029   4.155
   66   1HD1  LEU   9          HD11      LEU   9   7.393   1.543   4.677
   67   2HD1  LEU   9          HD12      LEU   9   8.419   0.249   4.057
   68   3HD1  LEU   9          HD13      LEU   9   7.382  -0.039   5.455
   69   1HD2  LEU   9          HD21      LEU   9   5.163   0.984   2.078
   70   2HD2  LEU   9          HD22      LEU   9   6.850   0.737   1.632
   71   3HD2  LEU   9          HD23      LEU   9   6.419   2.008   2.771
   72    H    ALA  10           HN       ALA  10   5.421  -4.053   2.620
   73    HA   ALA  10           HA       ALA  10   2.765  -3.773   3.129
   74   1HB   ALA  10          HB1       ALA  10   3.114  -5.218   1.427
   75   2HB   ALA  10          HB2       ALA  10   2.791  -6.388   2.707
   76   3HB   ALA  10          HB3       ALA  10   4.442  -6.021   2.251
   77    H    ALA  11           HN       ALA  11   5.003  -5.995   4.756
   78    HA   ALA  11           HA       ALA  11   3.141  -6.987   6.644
   79   1HB   ALA  11          HB1       ALA  11   6.117  -7.038   6.386
   80   2HB   ALA  11          HB2       ALA  11   4.969  -8.376   6.404
   81   3HB   ALA  11          HB3       ALA  11   5.368  -7.536   7.903
   82    H    GLU  12           HN       GLU  12   5.674  -4.519   6.799
   83    HA   GLU  12           HA       GLU  12   5.811  -3.643   9.280
   84   1HB   GLU  12          HB2       GLU  12   6.204  -2.464   6.790
   85   2HB   GLU  12          HB1       GLU  12   5.166  -1.334   7.647
   86   1HG   GLU  12          HG2       GLU  12   6.829  -1.524   9.566
   87   2HG   GLU  12          HG1       GLU  12   7.900  -2.302   8.402
   88    H    ARG  13           HN       ARG  13   3.198  -2.212   7.235
   89    HA   ARG  13           HA       ARG  13   1.824  -1.284   9.536
   90   1HB   ARG  13          HB2       ARG  13   1.444  -1.187   6.652
   91   2HB   ARG  13          HB1       ARG  13  -0.053  -1.289   7.552
   92   1HG   ARG  13          HG2       ARG  13   0.443   1.013   7.170
   93   2HG   ARG  13          HG1       ARG  13   0.674   0.673   8.887
   94   1HD   ARG  13          HD2       ARG  13   3.137   0.290   8.265
   95   2HD   ARG  13          HD1       ARG  13   2.742   1.112   6.757
   96    HE   ARG  13           HE       ARG  13   1.821   2.774   8.728
   97   1HH1  ARG  13          HH11      ARG  13   4.905   1.355   7.920
   98   2HH1  ARG  13          HH12      ARG  13   5.822   2.672   8.573
   99   1HH2  ARG  13          HH21      ARG  13   3.028   4.505   9.590
  100   2HH2  ARG  13          HH22      ARG  13   4.757   4.458   9.521
  101    H    GLN  14           HN       GLN  14   1.250  -3.851   7.281
  102    HA   GLN  14           HA       GLN  14   0.271  -5.909   7.527
  103   1HB   GLN  14          HB2       GLN  14   0.845  -5.198  10.213
  104   2HB   GLN  14          HB1       GLN  14  -0.812  -5.785  10.186
  105   1HG   GLN  14          HG2       GLN  14   1.261  -7.365   8.765
  106   2HG   GLN  14          HG1       GLN  14   1.236  -7.404  10.528
  107   1HE2  GLN  14          HE21      GLN  14   0.809  -9.682   9.105
  108   2HE2  GLN  14          HE22      GLN  14  -0.841 -10.175   9.256
  109    H    THR  15           HN       THR  15  -1.414  -5.710   6.211
  110    HA   THR  15           HA       THR  15  -3.622  -5.635   5.623
  111    HB   THR  15           HB       THR  15  -4.345  -4.463   8.298
  112    HG1  THR  15           HG1      THR  15  -3.481  -6.197   9.118
  113   1HG2  THR  15          HG21      THR  15  -6.139  -6.453   7.553
  114   2HG2  THR  15          HG22      THR  15  -5.810  -5.545   6.077
  115   3HG2  THR  15          HG23      THR  15  -6.396  -4.709   7.515
  116    H    SER  16           HN       SER  16  -1.583  -3.188   6.249
  117    HA   SER  16           HA       SER  16  -3.504  -1.167   5.331
  118   1HB   SER  16          HB2       SER  16  -1.923  -1.050   7.618
  119   2HB   SER  16          HB1       SER  16  -1.094  -0.009   6.463
  120    HG   SER  16           HG       SER  16  -2.561   1.400   6.953
  121    H    VAL  17           HN       VAL  17   0.012  -0.577   5.321
  122    HA   VAL  17           HA       VAL  17  -0.015   0.328   2.771
  123    HB   VAL  17           HB       VAL  17   1.756   0.964   4.089
  124   1HG1  VAL  17          HG11      VAL  17   3.439  -1.366   4.125
  125   2HG1  VAL  17          HG12      VAL  17   1.877  -1.772   4.832
  126   3HG1  VAL  17          HG13      VAL  17   2.817  -0.428   5.481
  127   1HG2  VAL  17          HG21      VAL  17   3.439  -0.617   2.289
  128   2HG2  VAL  17          HG22      VAL  17   3.200   1.127   2.390
  129   3HG2  VAL  17          HG23      VAL  17   2.059   0.132   1.485
  130    H    GLU  18           HN       GLU  18   0.819  -3.106   3.597
  131    HA   GLU  18           HA       GLU  18   1.419  -3.964   1.030
  132   1HB   GLU  18          HB2       GLU  18   1.268  -5.373   3.168
  133   2HB   GLU  18          HB1       GLU  18  -0.455  -5.463   2.867
  134   1HG   GLU  18          HG2       GLU  18  -0.112  -6.617   0.804
  135   2HG   GLU  18          HG1       GLU  18   1.631  -6.394   0.913
  136    H    ARG  19           HN       ARG  19  -1.738  -3.793   2.581
  137    HA   ARG  19           HA       ARG  19  -3.395  -4.443   0.487
  138   1HB   ARG  19          HB2       ARG  19  -3.912  -3.870   2.987
  139   2HB   ARG  19          HB1       ARG  19  -4.171  -2.250   2.355
  140   1HG   ARG  19          HG2       ARG  19  -5.871  -3.122   0.826
  141   2HG   ARG  19          HG1       ARG  19  -5.618  -4.741   1.480
  142   1HD   ARG  19          HD2       ARG  19  -6.101  -3.525   3.765
  143   2HD   ARG  19          HD1       ARG  19  -6.920  -2.366   2.720
  144    HE   ARG  19           HE       ARG  19  -8.606  -3.875   2.470
  145   1HH1  ARG  19          HH11      ARG  19  -5.747  -5.595   3.498
  146   2HH1  ARG  19          HH12      ARG  19  -6.565  -7.113   3.653
  147   1HH2  ARG  19          HH21      ARG  19  -9.684  -5.869   2.676
  148   2HH2  ARG  19          HH22      ARG  19  -8.801  -7.270   3.186
  149    H    LEU  20           HN       LEU  20  -2.085  -1.380   1.390
  150    HA   LEU  20           HA       LEU  20  -3.352   0.253  -0.477
  151   1HB   LEU  20          HB2       LEU  20  -0.508   0.756   0.277
  152   2HB   LEU  20          HB1       LEU  20  -1.801   1.909  -0.007
  153    HG   LEU  20           HG       LEU  20  -1.508   0.109   2.359
  154   1HD1  LEU  20          HD11      LEU  20  -1.226   2.229   3.585
  155   2HD1  LEU  20          HD12      LEU  20  -1.249   3.077   2.044
  156   3HD1  LEU  20          HD13      LEU  20   0.051   1.955   2.401
  157   1HD2  LEU  20          HD21      LEU  20  -3.862   0.492   1.636
  158   2HD2  LEU  20          HD22      LEU  20  -3.587   2.215   1.895
  159   3HD2  LEU  20          HD23      LEU  20  -3.481   1.092   3.251
  160    H    VAL  21           HN       VAL  21  -0.253  -1.419  -0.746
  161    HA   VAL  21           HA       VAL  21   0.520  -0.457  -3.173
  162    HB   VAL  21           HB       VAL  21   0.962  -3.346  -2.998
  163   1HG1  VAL  21          HG11      VAL  21   3.189  -2.743  -3.495
  164   2HG1  VAL  21          HG12      VAL  21   2.922  -1.092  -2.955
  165   3HG1  VAL  21          HG13      VAL  21   2.158  -1.662  -4.427
  166   1HG2  VAL  21          HG21      VAL  21   1.230  -3.436  -0.768
  167   2HG2  VAL  21          HG22      VAL  21   1.322  -1.684  -0.611
  168   3HG2  VAL  21          HG23      VAL  21   2.737  -2.593  -1.092
  169    H    GLN  22           HN       GLN  22  -1.681  -3.228  -2.638
  170    HA   GLN  22           HA       GLN  22  -2.026  -3.706  -5.408
  171   1HB   GLN  22          HB2       GLN  22  -2.719  -5.090  -3.242
  172   2HB   GLN  22          HB1       GLN  22  -4.271  -4.336  -3.582
  173   1HG   GLN  22          HG2       GLN  22  -4.665  -5.962  -5.023
  174   2HG   GLN  22          HG1       GLN  22  -3.386  -5.298  -6.039
  175   1HE2  GLN  22          HE21      GLN  22  -1.439  -6.324  -6.159
  176   2HE2  GLN  22          HE22      GLN  22  -1.128  -7.867  -5.446
  177    H    GLN  23           HN       GLN  23  -4.581  -2.394  -3.311
  178    HA   GLN  23           HA       GLN  23  -6.251  -1.541  -5.327
  179   1HB   GLN  23          HB2       GLN  23  -5.790  -0.093  -2.709
  180   2HB   GLN  23          HB1       GLN  23  -7.229  -0.008  -3.709
  181   1HG   GLN  23          HG2       GLN  23  -6.238  -2.508  -2.371
  182   2HG   GLN  23          HG1       GLN  23  -7.490  -1.450  -1.730
  183   1HE2  GLN  23          HE21      GLN  23  -9.309  -2.566  -1.887
  184   2HE2  GLN  23          HE22      GLN  23  -9.902  -3.328  -3.319
  185    H    PHE  24           HN       PHE  24  -3.680   0.259  -3.760
  186    HA   PHE  24           HA       PHE  24  -3.871   2.647  -5.077
  187   1HB   PHE  24          HB2       PHE  24  -1.575   1.279  -3.751
  188   2HB   PHE  24          HB1       PHE  24  -1.363   2.834  -4.558
  189    HD1  PHE  24           HD1      PHE  24  -3.929   1.242  -2.390
  190    HD2  PHE  24           HD2      PHE  24  -1.565   4.671  -3.218
  191    HE1  PHE  24           HE1      PHE  24  -5.074   2.446  -0.610
  192    HE2  PHE  24           HE2      PHE  24  -2.702   5.883  -1.417
  193    HZ   PHE  24           HZ       PHE  24  -4.508   4.782  -0.148
  194    H    ALA  25           HN       ALA  25  -2.129  -0.241  -6.145
  195    HA   ALA  25           HA       ALA  25  -0.792   0.752  -8.330
  196   1HB   ALA  25          HB1       ALA  25  -0.471  -1.446  -8.667
  197   2HB   ALA  25          HB2       ALA  25  -2.140  -1.598  -9.216
  198   3HB   ALA  25          HB3       ALA  25  -1.749  -1.818  -7.510
  199    H    ASP  26           HN       ASP  26  -4.177  -0.152  -7.912
  200    HA   ASP  26           HA       ASP  26  -5.093   0.748 -10.456
  201   1HB   ASP  26          HB2       ASP  26  -6.292  -0.676  -8.573
  202   2HB   ASP  26          HB1       ASP  26  -6.839   0.906  -8.025
  203    H    ALA  27           HN       ALA  27  -4.985   2.285  -7.234
  204    HA   ALA  27           HA       ALA  27  -6.093   4.756  -7.640
  205   1HB   ALA  27          HB1       ALA  27  -5.375   4.281  -5.489
  206   2HB   ALA  27          HB2       ALA  27  -4.366   5.619  -6.020
  207   3HB   ALA  27          HB3       ALA  27  -3.724   3.983  -6.009
  208    H    GLY  28           HN       GLY  28  -2.605   4.339  -7.644
  209   1HA   GLY  28          HA2       GLY  28  -1.727   5.171 -10.072
  210   2HA   GLY  28          HA1       GLY  28  -2.110   6.684  -9.248
  211    H    ILE  29           HN       ILE  29  -0.904   3.672  -7.965
  212    HA   ILE  29           HA       ILE  29   1.682   4.827  -7.256
  213    HB   ILE  29           HB       ILE  29   0.062   3.313  -5.216
  214   1HG1  ILE  29          HG12      ILE  29  -0.177   5.670  -4.168
  215   2HG1  ILE  29          HG11      ILE  29   0.152   6.266  -5.791
  216   1HG2  ILE  29          HG21      ILE  29   2.111   3.260  -4.297
  217   2HG2  ILE  29          HG22      ILE  29   1.767   4.936  -3.867
  218   3HG2  ILE  29          HG23      ILE  29   2.707   4.573  -5.314
  219   1HD1  ILE  29          HD11      ILE  29  -1.938   5.909  -6.413
  220   2HD1  ILE  29          HD12      ILE  29  -2.308   5.552  -4.728
  221   3HD1  ILE  29          HD13      ILE  29  -1.890   4.244  -5.833
  222    H    ARG  30           HN       ARG  30   2.915   2.796  -6.005
  223    HA   ARG  30           HA       ARG  30   3.169   0.887  -8.108
  224   1HB   ARG  30          HB2       ARG  30   4.444   0.932  -5.368
  225   2HB   ARG  30          HB1       ARG  30   4.937  -0.090  -6.712
  226   1HG   ARG  30          HG2       ARG  30   4.908   2.899  -6.926
  227   2HG   ARG  30          HG1       ARG  30   6.294   2.019  -6.282
  228   1HD   ARG  30          HD2       ARG  30   5.578   0.705  -8.655
  229   2HD   ARG  30          HD1       ARG  30   5.497   2.429  -9.015
  230    HE   ARG  30           HE       ARG  30   7.889   1.747  -7.627
  231   1HH1  ARG  30          HH11      ARG  30   6.371   1.706 -10.767
  232   2HH1  ARG  30          HH12      ARG  30   7.870   1.751 -11.633
  233   1HH2  ARG  30          HH21      ARG  30   9.863   1.807  -8.762
  234   2HH2  ARG  30          HH22      ARG  30   9.853   1.808 -10.493
  235    H    LYS  31           HN       LYS  31   2.927  -1.335  -7.993
  236    HA   LYS  31           HA       LYS  31   0.570  -2.189  -6.562
  237   1HB   LYS  31          HB2       LYS  31   1.361  -2.629  -9.065
  238   2HB   LYS  31          HB1       LYS  31   2.053  -4.062  -8.319
  239   1HG   LYS  31          HG2       LYS  31   0.059  -5.039  -8.055
  240   2HG   LYS  31          HG1       LYS  31  -0.721  -3.537  -7.553
  241   1HD   LYS  31          HD2       LYS  31  -1.774  -3.954  -9.562
  242   2HD   LYS  31          HD1       LYS  31  -0.457  -2.894 -10.070
  243   1HE   LYS  31          HE2       LYS  31   0.839  -4.757 -10.826
  244   2HE   LYS  31          HE1       LYS  31  -0.303  -5.901 -10.125
  245   1HZ   LYS  31          HZ1       LYS  31  -1.977  -5.123 -11.696
  246   2HZ   LYS  31          HZ2       LYS  31  -0.614  -5.715 -12.504
  247   3HZ   LYS  31          HZ3       LYS  31  -0.861  -4.047 -12.377
  248    H    SER  32           HN       SER  32   0.391  -4.341  -5.645
  249    HA   SER  32           HA       SER  32   2.542  -4.806  -3.755
  250   1HB   SER  32          HB2       SER  32  -0.220  -4.833  -3.549
  251   2HB   SER  32          HB1       SER  32   0.213  -6.541  -3.496
  252    HG   SER  32           HG       SER  32   0.390  -5.886  -1.431
  253    H    ALA  33           HN       ALA  33   2.705  -7.149  -3.009
  254    HA   ALA  33           HA       ALA  33   2.967  -9.421  -3.439
  255   1HB   ALA  33          HB1       ALA  33   2.790 -10.392  -5.560
  256   2HB   ALA  33          HB2       ALA  33   3.160  -8.879  -6.386
  257   3HB   ALA  33          HB3       ALA  33   1.603  -9.088  -5.585
  258    H    ASP  34           HN       ASP  34   4.851  -7.631  -2.618
  259    HA   ASP  34           HA       ASP  34   7.114  -7.343  -2.458
  260   1HB   ASP  34          HB2       ASP  34   6.766 -10.021  -2.937
  261   2HB   ASP  34          HB1       ASP  34   7.863  -9.565  -4.238
  262    H    ASP  35           HN       ASP  35   7.779  -5.572  -3.471
  263    HA   ASP  35           HA       ASP  35   9.263  -5.374  -5.701
  264   1HB   ASP  35          HB2       ASP  35   6.437  -5.697  -6.494
  265   2HB   ASP  35          HB1       ASP  35   7.263  -4.346  -7.262
  266    H    SER  36           HN       SER  36   6.624  -3.141  -6.187
  267    HA   SER  36           HA       SER  36   8.040  -1.252  -4.422
  268   1HB   SER  36          HB2       SER  36   6.743  -0.648  -7.091
  269   2HB   SER  36          HB1       SER  36   7.469   0.549  -6.018
  270    HG   SER  36           HG       SER  36   8.718  -1.517  -7.475
  271    H    VAL  37           HN       VAL  37   6.924  -0.033  -3.066
  272    HA   VAL  37           HA       VAL  37   4.001   0.128  -3.187
  273    HB   VAL  37           HB       VAL  37   4.555  -1.730  -1.649
  274   1HG1  VAL  37          HG11      VAL  37   5.762  -1.349   0.399
  275   2HG1  VAL  37          HG12      VAL  37   5.937   0.360   0.011
  276   3HG1  VAL  37          HG13      VAL  37   6.762  -0.852  -0.962
  277   1HG2  VAL  37          HG21      VAL  37   3.584   0.595  -0.019
  278   2HG2  VAL  37          HG22      VAL  37   3.148  -1.104   0.135
  279   3HG2  VAL  37          HG23      VAL  37   2.592  -0.176  -1.257
  280    H    SER  38           HN       SER  38   3.117   1.689  -1.584
  281    HA   SER  38           HA       SER  38   5.005   3.846  -0.958
  282   1HB   SER  38          HB2       SER  38   2.274   4.002  -2.207
  283   2HB   SER  38          HB1       SER  38   2.908   5.355  -1.272
  284    HG   SER  38           HG       SER  38   4.714   5.370  -2.692
  285    H    ALA  39           HN       ALA  39   5.058   4.237   1.202
  286    HA   ALA  39           HA       ALA  39   3.075   3.052   2.938
  287   1HB   ALA  39          HB1       ALA  39   5.819   4.072   3.231
  288   2HB   ALA  39          HB2       ALA  39   5.026   2.701   4.006
  289   3HB   ALA  39          HB3       ALA  39   4.765   4.333   4.621
  290    H    GLN  40           HN       GLN  40   1.969   4.253   4.589
  291    HA   GLN  40           HA       GLN  40   0.821   6.028   5.458
  292   1HB   GLN  40          HB2       GLN  40   2.331   7.894   3.635
  293   2HB   GLN  40          HB1       GLN  40   1.558   8.261   5.172
  294   1HG   GLN  40          HG2       GLN  40   3.315   6.519   6.078
  295   2HG   GLN  40          HG1       GLN  40   4.185   6.995   4.620
  296   1HE2  GLN  40          HE21      GLN  40   4.465   9.354   4.308
  297   2HE2  GLN  40          HE22      GLN  40   4.766  10.323   5.706
  298    H    GLU  41           HN       GLU  41   0.617   4.699   2.628
  299    HA   GLU  41           HA       GLU  41  -1.062   6.525   1.201
  300   1HB   GLU  41          HB2       GLU  41   0.077   3.852   0.771
  301   2HB   GLU  41          HB1       GLU  41  -1.516   4.078   0.071
  302   1HG   GLU  41          HG2       GLU  41   0.593   4.590  -1.339
  303   2HG   GLU  41          HG1       GLU  41  -0.782   5.684  -1.414
  304    H    LYS  42           HN       LYS  42  -1.428   4.174   3.700
  305    HA   LYS  42           HA       LYS  42  -3.803   3.022   3.622
  306   1HB   LYS  42          HB2       LYS  42  -4.209   3.698   6.016
  307   2HB   LYS  42          HB1       LYS  42  -2.632   3.001   5.672
  308   1HG   LYS  42          HG2       LYS  42  -1.549   4.859   6.272
  309   2HG   LYS  42          HG1       LYS  42  -2.698   5.911   5.444
  310   1HD   LYS  42          HD2       LYS  42  -3.533   4.540   7.958
  311   2HD   LYS  42          HD1       LYS  42  -2.481   5.954   8.060
  312   1HE   LYS  42          HE2       LYS  42  -4.136   7.365   7.523
  313   2HE   LYS  42          HE1       LYS  42  -4.747   6.309   6.250
  314   1HZ   LYS  42          HZ1       LYS  42  -6.059   6.795   8.507
  315   2HZ   LYS  42          HZ2       LYS  42  -5.204   5.412   8.975
  316   3HZ   LYS  42          HZ3       LYS  42  -6.229   5.358   7.630
  317    H    GLN  43           HN       GLN  43  -3.518   6.538   3.793
  318    HA   GLN  43           HA       GLN  43  -6.151   7.213   4.350
  319   1HB   GLN  43          HB2       GLN  43  -3.798   8.544   3.421
  320   2HB   GLN  43          HB1       GLN  43  -5.164   9.087   2.456
  321   1HG   GLN  43          HG2       GLN  43  -5.810  10.419   4.092
  322   2HG   GLN  43          HG1       GLN  43  -5.970   9.039   5.176
  323   1HE2  GLN  43          HE21      GLN  43  -3.285  10.839   3.699
  324   2HE2  GLN  43          HE22      GLN  43  -2.405  11.063   5.168
  325    H    THR  44           HN       THR  44  -4.664   6.902   1.103
  326    HA   THR  44           HA       THR  44  -7.059   7.301  -0.278
  327    HB   THR  44           HB       THR  44  -5.215   5.710  -1.816
  328    HG1  THR  44           HG1      THR  44  -4.187   8.061  -0.608
  329   1HG2  THR  44          HG21      THR  44  -5.976   8.609  -1.996
  330   2HG2  THR  44          HG22      THR  44  -6.812   7.273  -2.788
  331   3HG2  THR  44          HG23      THR  44  -5.152   7.664  -3.235
  332    H    LEU  45           HN       LEU  45  -5.557   4.252   0.832
  333    HA   LEU  45           HA       LEU  45  -7.004   2.401  -0.558
  334   1HB   LEU  45          HB2       LEU  45  -5.319   2.072   1.353
  335   2HB   LEU  45          HB1       LEU  45  -6.699   2.166   2.424
  336    HG   LEU  45           HG       LEU  45  -6.045  -0.156   1.935
  337   1HD1  LEU  45          HD11      LEU  45  -8.697   0.445   0.652
  338   2HD1  LEU  45          HD12      LEU  45  -8.426   0.552   2.391
  339   3HD1  LEU  45          HD13      LEU  45  -8.224  -0.990   1.560
  340   1HD2  LEU  45          HD21      LEU  45  -6.092  -1.089  -0.203
  341   2HD2  LEU  45          HD22      LEU  45  -5.299   0.468  -0.439
  342   3HD2  LEU  45          HD23      LEU  45  -6.994   0.269  -0.878
  343    H    ILE  46           HN       ILE  46  -8.061   4.108   2.378
  344    HA   ILE  46           HA       ILE  46 -10.632   3.067   2.598
  345    HB   ILE  46           HB       ILE  46  -9.858   5.967   3.013
  346   1HG1  ILE  46          HG12      ILE  46  -8.359   4.555   4.294
  347   2HG1  ILE  46          HG11      ILE  46  -9.512   5.312   5.387
  348   1HG2  ILE  46          HG21      ILE  46 -12.270   4.376   3.582
  349   2HG2  ILE  46          HG22      ILE  46 -12.091   6.104   3.281
  350   3HG2  ILE  46          HG23      ILE  46 -11.729   5.445   4.876
  351   1HD1  ILE  46          HD11      ILE  46  -9.012   2.515   4.867
  352   2HD1  ILE  46          HD12      ILE  46 -10.719   2.925   4.706
  353   3HD1  ILE  46          HD13      ILE  46  -9.864   3.284   6.206
  354    H    ASP  47           HN       ASP  47  -9.342   5.714   0.684
  355    HA   ASP  47           HA       ASP  47 -11.543   6.671  -0.587
  356   1HB   ASP  47          HB2       ASP  47  -8.964   7.272  -0.747
  357   2HB   ASP  47          HB1       ASP  47  -9.117   6.368  -2.249
  358    H    HIS  48           HN       HIS  48  -9.470   4.008  -1.712
  359    HA   HIS  48           HA       HIS  48 -10.718   3.372  -4.082
  360   1HB   HIS  48          HB2       HIS  48  -9.438   1.577  -2.015
  361   2HB   HIS  48          HB1       HIS  48 -10.024   0.967  -3.554
  362    HD1  HIS  48           HD1      HIS  48  -7.395   3.281  -2.131
  363    HD2  HIS  48           HD2      HIS  48  -8.266   1.261  -5.660
  364    HE1  HIS  48           HE1      HIS  48  -5.321   3.453  -3.558
  365    HE2  HIS  48           HE2      HIS  48  -5.958   2.392  -5.737
  366    H    LEU  49           HN       LEU  49 -11.485   2.178  -0.831
  367    HA   LEU  49           HA       LEU  49 -13.622   0.535  -1.500
  368   1HB   LEU  49          HB2       LEU  49 -12.423   1.540   0.874
  369   2HB   LEU  49          HB1       LEU  49 -14.157   1.749   1.018
  370    HG   LEU  49           HG       LEU  49 -13.437  -0.371   1.989
  371   1HD1  LEU  49          HD11      LEU  49 -14.906  -1.016  -0.545
  372   2HD1  LEU  49          HD12      LEU  49 -15.648  -0.072   0.747
  373   3HD1  LEU  49          HD13      LEU  49 -15.104  -1.720   1.060
  374   1HD2  LEU  49          HD21      LEU  49 -11.567  -0.491   0.085
  375   2HD2  LEU  49          HD22      LEU  49 -12.783  -1.539  -0.646
  376   3HD2  LEU  49          HD23      LEU  49 -12.144  -1.914   0.954
  377    H    ASN  50           HN       ASN  50 -13.986   3.707   0.077
  378    HA   ASN  50           HA       ASN  50 -16.700   3.967  -0.697
  379   1HB   ASN  50          HB2       ASN  50 -14.713   5.581   0.753
  380   2HB   ASN  50          HB1       ASN  50 -15.929   6.525  -0.104
  381   1HD2  ASN  50          HD21      ASN  50 -15.356   5.851   2.802
  382   2HD2  ASN  50          HD22      ASN  50 -16.893   5.362   3.421
  Start of MODEL   10
    1   1H    THR   2          HT1       THR   2   9.235   8.906   1.286
    2   2H    THR   2          HT2       THR   2   8.111  10.078   1.841
    3   3H    THR   2          HT3       THR   2   7.855   9.282   0.342
    4    HA   THR   2           HA       THR   2   8.025   7.824   2.877
    5    HB   THR   2           HB       THR   2   6.294   9.521   3.123
    6    HG1  THR   2           HG1      THR   2   5.100   7.034   2.479
    7   1HG2  THR   2          HG21      THR   2   5.938   9.785   0.608
    8   2HG2  THR   2          HG22      THR   2   4.528   9.891   1.662
    9   3HG2  THR   2          HG23      THR   2   4.843   8.410   0.757
   10    H    ASP   3           HN       ASP   3   8.986   7.291   0.156
   11    HA   ASP   3           HA       ASP   3   7.113   5.225  -0.752
   12   1HB   ASP   3          HB2       ASP   3   9.091   6.937  -2.067
   13   2HB   ASP   3          HB1       ASP   3   9.194   5.251  -2.567
   14    H    VAL   4           HN       VAL   4   7.537   3.108  -0.541
   15    HA   VAL   4           HA       VAL   4  10.260   2.223   0.032
   16    HB   VAL   4           HB       VAL   4   8.149   1.000   1.727
   17   1HG1  VAL   4          HG11      VAL   4  10.116  -0.032   2.179
   18   2HG1  VAL   4          HG12      VAL   4  10.278   1.312   3.310
   19   3HG1  VAL   4          HG13      VAL   4  11.082   1.378   1.741
   20   1HG2  VAL   4          HG21      VAL   4   7.554   3.189   2.268
   21   2HG2  VAL   4          HG22      VAL   4   9.211   3.775   2.129
   22   3HG2  VAL   4          HG23      VAL   4   8.743   2.773   3.502
   23    H    THR   5           HN       THR   5  10.177  -0.331   0.217
   24    HA   THR   5           HA       THR   5   8.847  -1.162  -2.221
   25    HB   THR   5           HB       THR   5  10.128  -3.244  -1.966
   26    HG1  THR   5           HG1      THR   5  11.162  -2.105   0.411
   27   1HG2  THR   5          HG21      THR   5  11.205  -1.019  -2.781
   28   2HG2  THR   5          HG22      THR   5  12.207  -2.437  -2.473
   29   3HG2  THR   5          HG23      THR   5  12.117  -1.144  -1.277
   30    H    ILE   6           HN       ILE   6   7.065  -2.116  -2.357
   31    HA   ILE   6           HA       ILE   6   5.342  -2.697  -0.245
   32    HB   ILE   6           HB       ILE   6   4.053  -2.532  -2.095
   33   1HG1  ILE   6          HG12      ILE   6   3.552  -4.802  -3.172
   34   2HG1  ILE   6          HG11      ILE   6   4.767  -5.464  -2.096
   35   1HG2  ILE   6          HG21      ILE   6   6.360  -3.669  -3.609
   36   2HG2  ILE   6          HG22      ILE   6   5.660  -2.061  -3.720
   37   3HG2  ILE   6          HG23      ILE   6   4.788  -3.450  -4.365
   38   1HD1  ILE   6          HD11      ILE   6   3.223  -4.104  -0.341
   39   2HD1  ILE   6          HD12      ILE   6   3.024  -5.809  -0.739
   40   3HD1  ILE   6          HD13      ILE   6   2.028  -4.594  -1.538
   41    H    LYS   7           HN       LYS   7   4.669  -4.559   0.640
   42    HA   LYS   7           HA       LYS   7   4.646  -6.845   1.131
   43   1HB   LYS   7          HB2       LYS   7   6.111  -7.159  -1.030
   44   2HB   LYS   7          HB1       LYS   7   7.444  -7.224   0.111
   45   1HG   LYS   7          HG2       LYS   7   5.021  -9.005   0.234
   46   2HG   LYS   7          HG1       LYS   7   6.545  -9.443  -0.540
   47   1HD   LYS   7          HD2       LYS   7   7.550  -8.766   1.791
   48   2HD   LYS   7          HD1       LYS   7   5.910  -9.099   2.351
   49   1HE   LYS   7          HE2       LYS   7   7.703 -10.998   0.844
   50   2HE   LYS   7          HE1       LYS   7   7.316 -11.076   2.562
   51   1HZ   LYS   7          HZ1       LYS   7   5.022 -11.031   0.800
   52   2HZ   LYS   7          HZ2       LYS   7   5.329 -11.996   2.154
   53   3HZ   LYS   7          HZ3       LYS   7   5.993 -12.409   0.654
   54    H    THR   8           HN       THR   8   8.074  -5.770   1.298
   55    HA   THR   8           HA       THR   8   8.459  -6.573   3.964
   56    HB   THR   8           HB       THR   8   9.994  -4.249   3.670
   57    HG1  THR   8           HG1      THR   8  10.026  -5.595   1.187
   58   1HG2  THR   8          HG21      THR   8  10.861  -6.956   2.702
   59   2HG2  THR   8          HG22      THR   8  10.755  -6.518   4.407
   60   3HG2  THR   8          HG23      THR   8  11.864  -5.654   3.342
   61    H    LEU   9           HN       LEU   9   7.308  -3.664   2.446
   62    HA   LEU   9           HA       LEU   9   6.690  -2.213   4.827
   63   1HB   LEU   9          HB2       LEU   9   6.713  -1.704   2.034
   64   2HB   LEU   9          HB1       LEU   9   5.079  -1.404   2.596
   65    HG   LEU   9           HG       LEU   9   6.478   0.623   2.611
   66   1HD1  LEU   9          HD11      LEU   9   4.640   0.594   4.117
   67   2HD1  LEU   9          HD12      LEU   9   6.020   1.254   4.995
   68   3HD1  LEU   9          HD13      LEU   9   5.517  -0.415   5.266
   69   1HD2  LEU   9          HD21      LEU   9   8.011  -0.568   4.894
   70   2HD2  LEU   9          HD22      LEU   9   8.377   0.869   3.942
   71   3HD2  LEU   9          HD23      LEU   9   8.572  -0.732   3.230
   72    H    ALA  10           HN       ALA  10   4.938  -4.175   2.471
   73    HA   ALA  10           HA       ALA  10   2.348  -3.978   3.297
   74   1HB   ALA  10          HB1       ALA  10   1.946  -6.072   2.304
   75   2HB   ALA  10          HB2       ALA  10   3.572  -6.640   2.660
   76   3HB   ALA  10          HB3       ALA  10   3.317  -5.407   1.427
   77    H    ALA  11           HN       ALA  11   4.841  -6.144   4.564
   78    HA   ALA  11           HA       ALA  11   3.294  -7.264   6.647
   79   1HB   ALA  11          HB1       ALA  11   5.433  -8.206   5.692
   80   2HB   ALA  11          HB2       ALA  11   5.326  -8.199   7.453
   81   3HB   ALA  11          HB3       ALA  11   6.294  -6.981   6.623
   82    H    GLU  12           HN       GLU  12   5.694  -4.635   6.554
   83    HA   GLU  12           HA       GLU  12   5.963  -3.859   9.102
   84   1HB   GLU  12          HB2       GLU  12   5.504  -2.123   6.687
   85   2HB   GLU  12          HB1       GLU  12   5.860  -1.438   8.264
   86   1HG   GLU  12          HG2       GLU  12   7.664  -3.550   7.226
   87   2HG   GLU  12          HG1       GLU  12   7.749  -1.949   6.494
   88    H    ARG  13           HN       ARG  13   3.320  -2.295   7.178
   89    HA   ARG  13           HA       ARG  13   1.971  -1.598   9.586
   90   1HB   ARG  13          HB2       ARG  13   1.276  -1.451   6.691
   91   2HB   ARG  13          HB1       ARG  13   0.043  -1.160   7.905
   92   1HG   ARG  13          HG2       ARG  13   2.649   0.332   7.849
   93   2HG   ARG  13          HG1       ARG  13   1.208   0.881   6.993
   94   1HD   ARG  13          HD2       ARG  13   0.069   1.355   8.934
   95   2HD   ARG  13          HD1       ARG  13   0.996   0.194   9.884
   96    HE   ARG  13           HE       ARG  13   2.814   2.101   9.170
   97   1HH1  ARG  13          HH11      ARG  13  -0.254   2.130  10.833
   98   2HH1  ARG  13          HH12      ARG  13   0.146   3.507  11.804
   99   1HH2  ARG  13          HH21      ARG  13   3.341   3.910  10.446
  100   2HH2  ARG  13          HH22      ARG  13   2.187   4.517  11.585
  101    H    GLN  14           HN       GLN  14   1.430  -3.924   7.091
  102    HA   GLN  14           HA       GLN  14   0.578  -6.057   7.166
  103   1HB   GLN  14          HB2       GLN  14   1.086  -5.622   9.839
  104   2HB   GLN  14          HB1       GLN  14  -0.640  -5.955   9.829
  105   1HG   GLN  14          HG2       GLN  14   0.366  -7.912   8.192
  106   2HG   GLN  14          HG1       GLN  14   1.616  -7.744   9.424
  107   1HE2  GLN  14          HE21      GLN  14   1.348  -8.848  11.226
  108   2HE2  GLN  14          HE22      GLN  14  -0.142  -9.510  11.801
  109    H    THR  15           HN       THR  15  -1.339  -3.573   8.803
  110    HA   THR  15           HA       THR  15  -3.684  -4.499   7.288
  111    HB   THR  15           HB       THR  15  -4.076  -4.799   9.641
  112    HG1  THR  15           HG1      THR  15  -5.367  -2.399   8.871
  113   1HG2  THR  15          HG21      THR  15  -2.615  -3.460  10.823
  114   2HG2  THR  15          HG22      THR  15  -4.169  -2.669  11.084
  115   3HG2  THR  15          HG23      THR  15  -3.034  -2.014   9.904
  116    H    SER  16           HN       SER  16  -1.391  -2.255   7.072
  117    HA   SER  16           HA       SER  16  -3.285  -0.202   6.155
  118   1HB   SER  16          HB2       SER  16  -1.284   0.094   8.124
  119   2HB   SER  16          HB1       SER  16  -0.719   0.970   6.702
  120    HG   SER  16           HG       SER  16  -3.006   1.386   8.265
  121    H    VAL  17           HN       VAL  17   0.252  -0.170   5.673
  122    HA   VAL  17           HA       VAL  17  -0.011   0.502   3.055
  123    HB   VAL  17           HB       VAL  17   2.002   1.044   4.030
  124   1HG1  VAL  17          HG11      VAL  17   3.600  -1.088   4.475
  125   2HG1  VAL  17          HG12      VAL  17   2.033  -1.783   4.889
  126   3HG1  VAL  17          HG13      VAL  17   2.604  -0.337   5.720
  127   1HG2  VAL  17          HG21      VAL  17   2.050   0.339   1.610
  128   2HG2  VAL  17          HG22      VAL  17   2.755  -1.186   2.147
  129   3HG2  VAL  17          HG23      VAL  17   3.608   0.331   2.437
  130    H    GLU  18           HN       GLU  18   0.552  -2.913   4.185
  131    HA   GLU  18           HA       GLU  18   0.864  -4.058   1.696
  132   1HB   GLU  18          HB2       GLU  18   0.851  -5.405   3.737
  133   2HB   GLU  18          HB1       GLU  18  -0.849  -5.058   3.987
  134   1HG   GLU  18          HG2       GLU  18  -1.508  -6.411   2.193
  135   2HG   GLU  18          HG1       GLU  18   0.127  -6.481   1.538
  136    H    ARG  19           HN       ARG  19  -2.208  -3.417   3.326
  137    HA   ARG  19           HA       ARG  19  -3.947  -4.072   1.285
  138   1HB   ARG  19          HB2       ARG  19  -4.103  -2.770   3.823
  139   2HB   ARG  19          HB1       ARG  19  -5.063  -1.873   2.658
  140   1HG   ARG  19          HG2       ARG  19  -6.410  -3.521   3.822
  141   2HG   ARG  19          HG1       ARG  19  -6.301  -3.895   2.100
  142   1HD   ARG  19          HD2       ARG  19  -4.394  -5.452   2.706
  143   2HD   ARG  19          HD1       ARG  19  -4.870  -5.227   4.388
  144    HE   ARG  19           HE       ARG  19  -7.071  -6.011   2.754
  145   1HH1  ARG  19          HH11      ARG  19  -4.256  -7.227   4.422
  146   2HH1  ARG  19          HH12      ARG  19  -4.905  -8.820   4.616
  147   1HH2  ARG  19          HH21      ARG  19  -7.927  -8.108   3.010
  148   2HH2  ARG  19          HH22      ARG  19  -6.989  -9.322   3.814
  149    H    LEU  20           HN       LEU  20  -2.445  -1.031   2.043
  150    HA   LEU  20           HA       LEU  20  -3.656   0.532   0.115
  151   1HB   LEU  20          HB2       LEU  20  -2.187   2.193   0.630
  152   2HB   LEU  20          HB1       LEU  20  -2.075   1.200   2.059
  153    HG   LEU  20           HG       LEU  20   0.094   0.287   1.240
  154   1HD1  LEU  20          HD11      LEU  20   0.846   2.207  -0.653
  155   2HD1  LEU  20          HD12      LEU  20  -0.711   1.614  -1.204
  156   3HD1  LEU  20          HD13      LEU  20   0.614   0.487  -0.928
  157   1HD2  LEU  20          HD21      LEU  20   1.358   2.365   1.578
  158   2HD2  LEU  20          HD22      LEU  20   0.059   2.165   2.751
  159   3HD2  LEU  20          HD23      LEU  20  -0.136   3.277   1.406
  160    H    VAL  21           HN       VAL  21  -0.689  -1.339  -0.164
  161    HA   VAL  21           HA       VAL  21   0.116  -0.604  -2.650
  162    HB   VAL  21           HB       VAL  21   0.233  -3.503  -1.929
  163   1HG1  VAL  21          HG11      VAL  21   2.117  -3.508  -3.189
  164   2HG1  VAL  21          HG12      VAL  21   2.556  -1.873  -2.737
  165   3HG1  VAL  21          HG13      VAL  21   1.305  -2.143  -3.943
  166   1HG2  VAL  21          HG21      VAL  21   1.180  -1.276  -0.271
  167   2HG2  VAL  21          HG22      VAL  21   2.421  -2.462  -0.663
  168   3HG2  VAL  21          HG23      VAL  21   0.938  -2.972   0.142
  169    H    GLN  22           HN       GLN  22  -2.245  -3.189  -1.899
  170    HA   GLN  22           HA       GLN  22  -2.646  -3.848  -4.617
  171   1HB   GLN  22          HB2       GLN  22  -3.383  -5.037  -2.348
  172   2HB   GLN  22          HB1       GLN  22  -4.903  -4.248  -2.746
  173   1HG   GLN  22          HG2       GLN  22  -4.269  -5.365  -5.128
  174   2HG   GLN  22          HG1       GLN  22  -3.574  -6.536  -4.008
  175   1HE2  GLN  22          HE21      GLN  22  -5.054  -7.203  -2.207
  176   2HE2  GLN  22          HE22      GLN  22  -6.712  -7.474  -2.612
  177    H    GLN  23           HN       GLN  23  -5.059  -2.201  -2.588
  178    HA   GLN  23           HA       GLN  23  -6.740  -1.462  -4.641
  179   1HB   GLN  23          HB2       GLN  23  -6.092   0.223  -2.214
  180   2HB   GLN  23          HB1       GLN  23  -7.556   0.314  -3.183
  181   1HG   GLN  23          HG2       GLN  23  -6.695  -1.804  -1.259
  182   2HG   GLN  23          HG1       GLN  23  -8.201  -0.892  -1.315
  183   1HE2  GLN  23          HE21      GLN  23  -7.112  -3.857  -1.609
  184   2HE2  GLN  23          HE22      GLN  23  -8.164  -4.492  -2.822
  185    H    PHE  24           HN       PHE  24  -3.969   0.279  -3.378
  186    HA   PHE  24           HA       PHE  24  -4.009   2.526  -4.916
  187   1HB   PHE  24          HB2       PHE  24  -1.881   1.115  -3.454
  188   2HB   PHE  24          HB1       PHE  24  -1.371   2.271  -4.684
  189    HD1  PHE  24           HD1      PHE  24  -2.561   1.919  -1.370
  190    HD2  PHE  24           HD2      PHE  24  -2.540   4.536  -4.707
  191    HE1  PHE  24           HE1      PHE  24  -3.304   3.733   0.070
  192    HE2  PHE  24           HE2      PHE  24  -3.271   6.379  -3.264
  193    HZ   PHE  24           HZ       PHE  24  -3.714   5.956  -0.874
  194    H    ALA  25           HN       ALA  25  -2.630  -0.614  -5.774
  195    HA   ALA  25           HA       ALA  25  -1.398   0.042  -8.134
  196   1HB   ALA  25          HB1       ALA  25  -3.251  -2.303  -8.167
  197   2HB   ALA  25          HB2       ALA  25  -1.906  -2.314  -7.026
  198   3HB   ALA  25          HB3       ALA  25  -1.593  -2.181  -8.757
  199    H    ASP  26           HN       ASP  26  -4.802  -0.494  -7.406
  200    HA   ASP  26           HA       ASP  26  -5.825   0.209  -9.969
  201   1HB   ASP  26          HB2       ASP  26  -6.906  -0.609  -7.516
  202   2HB   ASP  26          HB1       ASP  26  -7.572   0.999  -7.782
  203    H    ALA  27           HN       ALA  27  -5.322   2.099  -6.978
  204    HA   ALA  27           HA       ALA  27  -6.218   4.604  -7.662
  205   1HB   ALA  27          HB1       ALA  27  -3.744   4.894  -6.277
  206   2HB   ALA  27          HB2       ALA  27  -4.648   3.525  -5.648
  207   3HB   ALA  27          HB3       ALA  27  -5.394   5.114  -5.703
  208    H    GLY  28           HN       GLY  28  -2.767   3.990  -7.602
  209   1HA   GLY  28          HA2       GLY  28  -1.972   4.501 -10.202
  210   2HA   GLY  28          HA1       GLY  28  -2.093   6.074  -9.421
  211    H    ILE  29           HN       ILE  29  -1.421   3.753  -7.175
  212    HA   ILE  29           HA       ILE  29   1.401   4.448  -6.997
  213    HB   ILE  29           HB       ILE  29  -0.745   3.870  -5.072
  214   1HG1  ILE  29          HG12      ILE  29   0.703   5.330  -3.648
  215   2HG1  ILE  29          HG11      ILE  29   1.859   5.382  -4.974
  216   1HG2  ILE  29          HG21      ILE  29   0.503   2.845  -3.352
  217   2HG2  ILE  29          HG22      ILE  29   1.997   2.943  -4.278
  218   3HG2  ILE  29          HG23      ILE  29   0.716   1.839  -4.783
  219   1HD1  ILE  29          HD11      ILE  29   0.587   6.786  -6.203
  220   2HD1  ILE  29          HD12      ILE  29  -0.011   7.234  -4.604
  221   3HD1  ILE  29          HD13      ILE  29  -0.931   6.111  -5.608
  222    H    ARG  30           HN       ARG  30   2.619   2.295  -5.846
  223    HA   ARG  30           HA       ARG  30   2.519   0.440  -8.037
  224   1HB   ARG  30          HB2       ARG  30   4.482   1.220  -6.344
  225   2HB   ARG  30          HB1       ARG  30   4.069  -0.348  -5.661
  226   1HG   ARG  30          HG2       ARG  30   5.816  -0.722  -7.205
  227   2HG   ARG  30          HG1       ARG  30   4.338  -1.297  -7.978
  228   1HD   ARG  30          HD2       ARG  30   5.632  -0.048  -9.582
  229   2HD   ARG  30          HD1       ARG  30   4.174   0.855  -9.180
  230    HE   ARG  30           HE       ARG  30   5.473   2.441  -8.068
  231   1HH1  ARG  30          HH11      ARG  30   7.455  -0.162  -9.299
  232   2HH1  ARG  30          HH12      ARG  30   8.935   0.714  -9.111
  233   1HH2  ARG  30          HH21      ARG  30   7.422   3.585  -7.820
  234   2HH2  ARG  30          HH22      ARG  30   8.918   2.838  -8.270
  235    H    LYS  31           HN       LYS  31   2.383  -1.873  -7.793
  236    HA   LYS  31           HA       LYS  31   0.027  -2.589  -6.280
  237   1HB   LYS  31          HB2       LYS  31  -0.034  -4.582  -7.635
  238   2HB   LYS  31          HB1       LYS  31   0.246  -3.182  -8.661
  239   1HG   LYS  31          HG2       LYS  31   2.773  -3.862  -8.282
  240   2HG   LYS  31          HG1       LYS  31   2.045  -5.444  -7.999
  241   1HD   LYS  31          HD2       LYS  31   2.148  -5.676 -10.228
  242   2HD   LYS  31          HD1       LYS  31   0.741  -4.611 -10.254
  243   1HE   LYS  31          HE2       LYS  31   1.894  -3.004 -11.272
  244   2HE   LYS  31          HE1       LYS  31   3.178  -3.082 -10.066
  245   1HZ   LYS  31          HZ1       LYS  31   3.608  -3.664 -12.578
  246   2HZ   LYS  31          HZ2       LYS  31   3.074  -5.192 -12.088
  247   3HZ   LYS  31          HZ3       LYS  31   4.412  -4.483 -11.335
  248    H    SER  32           HN       SER  32  -0.155  -4.738  -5.319
  249    HA   SER  32           HA       SER  32   1.908  -5.096  -3.345
  250   1HB   SER  32          HB2       SER  32  -0.683  -5.095  -3.020
  251   2HB   SER  32          HB1       SER  32  -0.545  -6.792  -3.477
  252    HG   SER  32           HG       SER  32  -0.224  -5.878  -1.113
  253    H    ALA  33           HN       ALA  33   2.588  -7.207  -2.647
  254    HA   ALA  33           HA       ALA  33   3.121  -9.457  -2.969
  255   1HB   ALA  33          HB1       ALA  33   1.489  -9.403  -4.994
  256   2HB   ALA  33          HB2       ALA  33   2.759 -10.624  -4.930
  257   3HB   ALA  33          HB3       ALA  33   2.959  -9.195  -5.944
  258    H    ASP  34           HN       ASP  34   4.821  -7.385  -2.505
  259    HA   ASP  34           HA       ASP  34   7.053  -6.895  -2.580
  260   1HB   ASP  34          HB2       ASP  34   6.996  -9.561  -3.043
  261   2HB   ASP  34          HB1       ASP  34   7.756  -9.005  -4.531
  262    H    ASP  35           HN       ASP  35   7.555  -5.097  -3.566
  263    HA   ASP  35           HA       ASP  35   8.492  -4.889  -6.192
  264   1HB   ASP  35          HB2       ASP  35   5.838  -5.198  -6.404
  265   2HB   ASP  35          HB1       ASP  35   5.871  -3.462  -6.117
  266    H    SER  36           HN       SER  36   7.228  -2.067  -6.476
  267    HA   SER  36           HA       SER  36   8.532  -0.870  -4.122
  268   1HB   SER  36          HB2       SER  36   9.984  -0.770  -6.217
  269   2HB   SER  36          HB1       SER  36   8.777   0.323  -6.893
  270    HG   SER  36           HG       SER  36   9.997   0.795  -4.388
  271    H    VAL  37           HN       VAL  37   6.630  -0.435  -3.148
  272    HA   VAL  37           HA       VAL  37   4.719   1.338  -4.478
  273    HB   VAL  37           HB       VAL  37   4.213  -0.986  -3.317
  274   1HG1  VAL  37          HG11      VAL  37   5.054  -0.159  -1.111
  275   2HG1  VAL  37          HG12      VAL  37   3.412  -0.806  -1.083
  276   3HG1  VAL  37          HG13      VAL  37   3.672   0.938  -1.068
  277   1HG2  VAL  37          HG21      VAL  37   2.045   0.811  -2.664
  278   2HG2  VAL  37          HG22      VAL  37   2.146  -0.422  -3.915
  279   3HG2  VAL  37          HG23      VAL  37   2.753   1.194  -4.232
  280    H    SER  38           HN       SER  38   3.407   2.658  -2.777
  281    HA   SER  38           HA       SER  38   5.377   4.174  -1.246
  282   1HB   SER  38          HB2       SER  38   2.791   4.912  -2.559
  283   2HB   SER  38          HB1       SER  38   3.402   5.891  -1.227
  284    HG   SER  38           HG       SER  38   4.331   6.803  -2.945
  285    H    ALA  39           HN       ALA  39   5.324   4.035   0.960
  286    HA   ALA  39           HA       ALA  39   3.179   2.622   2.266
  287   1HB   ALA  39          HB1       ALA  39   5.575   3.893   3.570
  288   2HB   ALA  39          HB2       ALA  39   5.628   2.309   2.800
  289   3HB   ALA  39          HB3       ALA  39   4.570   2.580   4.184
  290    H    GLN  40           HN       GLN  40   2.045   3.481   4.116
  291    HA   GLN  40           HA       GLN  40   0.917   5.078   5.301
  292   1HB   GLN  40          HB2       GLN  40   3.359   6.360   4.724
  293   2HB   GLN  40          HB1       GLN  40   2.103   7.506   4.274
  294   1HG   GLN  40          HG2       GLN  40   1.114   6.923   6.606
  295   2HG   GLN  40          HG1       GLN  40   2.747   6.355   6.947
  296   1HE2  GLN  40          HE21      GLN  40   4.476   7.983   6.201
  297   2HE2  GLN  40          HE22      GLN  40   4.192   9.626   6.656
  298    H    GLU  41           HN       GLU  41   1.005   4.637   2.091
  299    HA   GLU  41           HA       GLU  41  -0.645   6.770   1.208
  300   1HB   GLU  41          HB2       GLU  41   0.395   4.254   0.017
  301   2HB   GLU  41          HB1       GLU  41  -1.011   4.997  -0.729
  302   1HG   GLU  41          HG2       GLU  41   1.608   6.386  -0.234
  303   2HG   GLU  41          HG1       GLU  41   1.115   5.669  -1.766
  304    H    LYS  42           HN       LYS  42  -1.187   3.869   2.938
  305    HA   LYS  42           HA       LYS  42  -3.551   2.829   2.296
  306   1HB   LYS  42          HB2       LYS  42  -2.388   2.307   4.378
  307   2HB   LYS  42          HB1       LYS  42  -2.874   3.855   5.056
  308   1HG   LYS  42          HG2       LYS  42  -5.075   2.168   4.083
  309   2HG   LYS  42          HG1       LYS  42  -4.182   1.531   5.465
  310   1HD   LYS  42          HD2       LYS  42  -4.514   4.142   6.178
  311   2HD   LYS  42          HD1       LYS  42  -6.004   3.822   5.288
  312   1HE   LYS  42          HE2       LYS  42  -6.712   2.222   6.783
  313   2HE   LYS  42          HE1       LYS  42  -5.076   1.849   7.322
  314   1HZ   LYS  42          HZ1       LYS  42  -6.676   4.251   8.009
  315   2HZ   LYS  42          HZ2       LYS  42  -5.044   4.060   8.407
  316   3HZ   LYS  42          HZ3       LYS  42  -6.199   3.009   9.055
  317    H    GLN  43           HN       GLN  43  -3.195   6.125   3.502
  318    HA   GLN  43           HA       GLN  43  -5.791   6.815   4.090
  319   1HB   GLN  43          HB2       GLN  43  -3.444   8.174   3.900
  320   2HB   GLN  43          HB1       GLN  43  -4.321   8.841   2.531
  321   1HG   GLN  43          HG2       GLN  43  -5.253  10.248   3.966
  322   2HG   GLN  43          HG1       GLN  43  -6.178   8.875   4.572
  323   1HE2  GLN  43          HE21      GLN  43  -4.188  11.349   5.431
  324   2HE2  GLN  43          HE22      GLN  43  -3.622  10.750   6.950
  325    H    THR  44           HN       THR  44  -4.241   7.064   0.869
  326    HA   THR  44           HA       THR  44  -6.675   7.796  -0.390
  327    HB   THR  44           HB       THR  44  -4.868   6.759  -2.329
  328    HG1  THR  44           HG1      THR  44  -3.692   8.595  -0.517
  329   1HG2  THR  44          HG21      THR  44  -5.580   9.578  -1.589
  330   2HG2  THR  44          HG22      THR  44  -6.395   8.563  -2.780
  331   3HG2  THR  44          HG23      THR  44  -4.733   9.084  -3.056
  332    H    LEU  45           HN       LEU  45  -4.942   4.741   0.018
  333    HA   LEU  45           HA       LEU  45  -6.304   3.091  -1.701
  334   1HB   LEU  45          HB2       LEU  45  -5.087   1.559  -0.626
  335   2HB   LEU  45          HB1       LEU  45  -4.688   2.744   0.597
  336    HG   LEU  45           HG       LEU  45  -6.755   2.060   1.839
  337   1HD1  LEU  45          HD11      LEU  45  -6.904  -0.524   0.492
  338   2HD1  LEU  45          HD12      LEU  45  -7.456   0.822  -0.505
  339   3HD1  LEU  45          HD13      LEU  45  -8.194   0.532   1.070
  340   1HD2  LEU  45          HD21      LEU  45  -5.131  -0.392   1.508
  341   2HD2  LEU  45          HD22      LEU  45  -5.624   0.450   2.975
  342   3HD2  LEU  45          HD23      LEU  45  -4.299   1.081   1.998
  343    H    ILE  46           HN       ILE  46  -7.257   4.111   1.538
  344    HA   ILE  46           HA       ILE  46  -9.786   2.915   1.626
  345    HB   ILE  46           HB       ILE  46  -8.962   5.587   2.796
  346   1HG1  ILE  46          HG12      ILE  46  -8.948   2.826   4.038
  347   2HG1  ILE  46          HG11      ILE  46  -7.521   3.728   3.537
  348   1HG2  ILE  46          HG21      ILE  46 -10.797   4.917   4.479
  349   2HG2  ILE  46          HG22      ILE  46 -11.351   3.827   3.208
  350   3HG2  ILE  46          HG23      ILE  46 -11.284   5.564   2.912
  351   1HD1  ILE  46          HD11      ILE  46  -7.962   5.416   5.204
  352   2HD1  ILE  46          HD12      ILE  46  -7.909   3.822   5.955
  353   3HD1  ILE  46          HD13      ILE  46  -9.461   4.606   5.662
  354    H    ASP  47           HN       ASP  47  -8.639   6.002   0.403
  355    HA   ASP  47           HA       ASP  47 -10.909   7.245  -0.352
  356   1HB   ASP  47          HB2       ASP  47  -8.461   8.002  -0.555
  357   2HB   ASP  47          HB1       ASP  47  -8.561   7.338  -2.182
  358    H    HIS  48           HN       HIS  48  -8.974   5.503  -2.821
  359    HA   HIS  48           HA       HIS  48 -11.130   5.463  -4.637
  360   1HB   HIS  48          HB2       HIS  48  -9.741   3.779  -5.924
  361   2HB   HIS  48          HB1       HIS  48  -9.021   5.355  -5.646
  362    HD1  HIS  48           HD1      HIS  48  -6.887   5.447  -4.250
  363    HD2  HIS  48           HD2      HIS  48  -8.439   1.615  -4.647
  364    HE1  HIS  48           HE1      HIS  48  -5.052   3.864  -3.556
  365    HE2  HIS  48           HE2      HIS  48  -6.164   1.648  -3.448
  366    H    LEU  49           HN       LEU  49  -9.827   2.861  -2.581
  367    HA   LEU  49           HA       LEU  49 -11.380   0.773  -3.441
  368   1HB   LEU  49          HB2       LEU  49  -9.695   0.379  -1.810
  369   2HB   LEU  49          HB1       LEU  49 -10.450   1.473  -0.667
  370    HG   LEU  49           HG       LEU  49 -12.054  -0.875  -1.515
  371   1HD1  LEU  49          HD11      LEU  49  -9.551  -1.061   0.128
  372   2HD1  LEU  49          HD12      LEU  49 -10.065  -2.069  -1.224
  373   3HD1  LEU  49          HD13      LEU  49 -10.886  -2.195   0.331
  374   1HD2  LEU  49          HD21      LEU  49 -12.245  -0.746   1.143
  375   2HD2  LEU  49          HD22      LEU  49 -13.211   0.262   0.066
  376   3HD2  LEU  49          HD23      LEU  49 -11.756   0.917   0.820
  377    H    ASN  50           HN       ASN  50 -12.251   2.605  -0.504
  378    HA   ASN  50           HA       ASN  50 -14.897   1.704  -0.413
  379   1HB   ASN  50          HB2       ASN  50 -13.304   3.189   1.236
  380   2HB   ASN  50          HB1       ASN  50 -14.440   4.408   0.665
  381   1HD2  ASN  50          HD21      ASN  50 -16.440   4.456   1.487
  382   2HD2  ASN  50          HD22      ASN  50 -17.069   3.312   2.619