*HEADER    TRANSCRIPTION                           03-APR-12   2LRI              
*TITLE     NMR STRUCTURE OF THE SECOND PHD FINGER OF AIRE (AIRE-PHD2)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AUTOIMMUNE REGULATOR;                                      
*COMPND   3 CHAIN: C;                                                            
*COMPND   4 FRAGMENT: PHD-TYPE 2 ZINC FINGER RESIDUES 423-485;                   
*COMPND   5 SYNONYM: AUTOIMMUNE POLYENDOCRINOPATHY CANDIDIASIS ECTODERMAL        
*COMPND   6 DYSTROPHY PROTEIN, APECED PROTEIN;                                   
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: AIRE, APECED;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-24D                                    
*KEYWDS    ZN BINDING PROTEIN DOMAIN, APECED, TRANSCRIPTION                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    M.GAETANI, F.CHIGNOLA, L.MOLLICA, G.QUILICI, V.MANNELLA,              
*AUTHOR   2 D.SPILIOTOPOULOS, G.MUSCO                                            
*REVDAT   1   17-OCT-12 2LRI    0                                                


 assi 
   (( segid "   C" and resid 27   and name  HN  ))
   (( segid "   C" and resid 32   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   C" and resid 25   and name  HN  ))
   (( segid "   C" and resid 34   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   C" and resid 34   and name  HN  ))
   (( segid "   C" and resid 25   and name  O   ))
      2.200     0.470     0.500

assign (segid "   C" and resid   41 and name  HB1) (segid "   C" and resid   41 and name   HA) 2.212 0.611 0.611 weight 1.000 ! spec=13C_...nD2O, no=1, id=327, vol=5.115617e+08
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   34 and name  HB1) 2.765 0.956 0.956 weight 1.000 ! spec=13C_...nD2O, no=2, id=795, vol=2.433336e+08
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   34 and name  HB1)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   34 and name  HB2) 2.890 1.044 1.044 weight 1.000 ! spec=13C_...nD2O, no=3, id=796, vol=1.778679e+08
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   34 and name  HB2)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   34 and name   HA) 3.886 1.888 1.888 weight 1.000 ! spec=13C_...nD2O, no=4, id=797, vol=5.761466e+07
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   34 and name   HA)
assign (segid "   C" and resid   40 and name  HB2) (segid "   C" and resid   40 and name  HB1) 1.967 0.484 0.484 weight 1.000 ! spec=13C_...nD2O, no=7, id=330, vol=4.978527e+08
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   40 and name   HZ) 2.652 0.879 0.879 weight 1.000 ! spec=13C_...nD2O, no=9, id=798, vol=3.288243e+08
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   40 and name   HZ)
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   40 and name  HD2) 3.821 1.825 1.825 weight 1.000 ! spec=13C_...nD2O, no=11, id=799, vol=4.171105e+07
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HB1) 2.538 0.805 0.805 weight 1.000 ! spec=13C_...nD2O, no=15, id=338, vol=2.031878e+08
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HB2) 2.576 0.830 0.830 weight 1.000 ! spec=13C_...nD2O, no=16, id=339, vol=1.794490e+08
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   40 and name  HB2) 2.978 1.109 1.109 weight 1.000 ! spec=13C_...nD2O, no=19, id=342, vol=7.035312e+07
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   40 and name  HB1) 3.172 1.258 1.258 weight 1.000 ! spec=13C_...nD2O, no=20, id=343, vol=1.117505e+08
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   40 and name  HB1) 3.152 1.242 1.242 weight 1.000 ! spec=13C_...nD2O, no=21, id=344, vol=1.394113e+08
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   40 and name  HB1)
assign (segid "   C" and resid   15 and name  HB2) (segid "   C" and resid   35 and name  HE1) 3.423 1.465 1.465 weight 1.000 ! spec=13C_...nD2O, no=25, id=805, vol=5.237316e+07
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   35 and name  HB2) 2.834 1.004 1.004 weight 1.000 ! spec=13C_...nD2O, no=29, id=350, vol=9.397457e+07
assign (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   53 and name  HB1) 2.611 0.852 0.852 weight 1.000 ! spec=13C_...nD2O, no=30, id=806, vol=2.034609e+08
assign (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   53 and name   HA) 3.888 1.889 1.889 weight 1.000 ! spec=13C_...nD2O, no=31, id=807, vol=3.878680e+07
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   39 and name  HB2) 3.673 1.686 1.686 weight 1.000 ! spec=13C_...nD2O, no=33, id=354, vol=4.750437e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   39 and name  HB2)
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   39 and name  HB2) 3.405 1.449 1.449 weight 1.000 ! spec=13C_...nD2O, no=34, id=355, vol=9.424712e+07
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   39 and name  HB2) 3.819 1.823 1.823 weight 1.000 ! spec=13C_...nD2O, no=35, id=356, vol=4.112099e+07
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   39 and name  HB2)
assign (segid "   C" and resid   29 and name  HB1) (segid "   C" and resid   29 and name  HD2) 4.216 2.222 2.222 weight 1.000 ! spec=13C_...nD2O, no=36, id=810, vol=2.384472e+07
assign (segid "   C" and resid   39 and name  HB1) (segid "   C" and resid   39 and name  HB2) 2.017 0.508 0.508 weight 1.000 ! spec=13C_...nD2O, no=38, id=359, vol=4.526158e+08
assign (segid "   C" and resid   29 and name  HB2) (segid "   C" and resid   29 and name  HD2) 3.459 1.496 1.496 weight 1.000 ! spec=13C_...nD2O, no=39, id=812, vol=2.674351e+07
assign (segid "   C" and resid   53 and name   HA) (segid "   C" and resid   34 and name  HD1) 4.012 2.012 2.012 weight 1.000 ! spec=13C_...nD2O, no=40, id=813, vol=4.048160e+07
    or (segid "   C" and resid   53 and name   HA) (segid "   C" and resid   34 and name  HD2)
assign (segid "   C" and resid   53 and name  HB1) (segid "   C" and resid   34 and name  HD1) 4.091 2.092 2.092 weight 1.000 ! spec=13C_...nD2O, no=41, id=814, vol=2.635624e+07
    or (segid "   C" and resid   53 and name  HB1) (segid "   C" and resid   34 and name  HD2)
assign (segid "   C" and resid   41 and name  HB2) (segid "   C" and resid   41 and name  HB1) 1.668 0.348 0.348 weight 1.000 ! spec=13C_...nD2O, no=45, id=364, vol=1.332451e+09
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   34 and name  HE2) 4.013 2.013 2.013 weight 1.000 ! spec=13C_...nD2O, no=48, id=818, vol=3.423575e+07
    or (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   34 and name  HE1)
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name  HD1) 3.360 1.411 1.411 weight 1.000 ! spec=13C_...nD2O, no=59, id=823, vol=8.265463e+07
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   36 and name  HZ3) 2.669 0.891 0.891 weight 1.000 ! spec=13C_...nD2O, no=63, id=826, vol=1.722774e+08
assign (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   36 and name  HZ3) 3.885 1.886 1.886 weight 1.000 ! spec=13C_...nD2O, no=64, id=827, vol=3.043476e+07
assign (segid "   C" and resid   36 and name  HB1) (segid "   C" and resid   36 and name  HZ3) 4.260 2.268 2.268 weight 1.000 ! spec=13C_...nD2O, no=65, id=828, vol=3.270171e+07
assign (segid "   C" and resid   36 and name  HE3) (segid "   C" and resid   36 and name  HB1) 2.665 0.888 0.888 weight 1.000 ! spec=13C_...nD2O, no=70, id=830, vol=1.190615e+08
assign (segid "   C" and resid   25 and name  HB1) (segid "   C" and resid   36 and name  HE3) 2.996 1.122 3.004 weight 1.000 ! spec=13C_...nD2O, no=71, id=831, vol=1.038806e+08
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   34 and name  HB1) 4.022 2.022 2.022 weight 1.000 ! spec=13C_...nD2O, no=72, id=832, vol=1.844933e+07
assign (segid "   C" and resid    8 and name  HB2) (segid "   C" and resid    8 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=13C_...nD2O, no=73, id=375, vol=1.450935e+08
assign (segid "   C" and resid    8 and name  HB1) (segid "   C" and resid    8 and name   HA) 2.873 1.032 1.032 weight 1.000 ! spec=13C_...nD2O, no=74, id=376, vol=1.437886e+08
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid    9 and name  HB2) 2.737 0.936 0.936 weight 1.000 ! spec=13C_...nD2O, no=78, id=378, vol=1.336178e+08
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid    9 and name  HB1) 2.922 1.067 1.067 weight 1.000 ! spec=13C_...nD2O, no=79, id=379, vol=1.206425e+08
assign (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   40 and name  HE2) 4.619 2.667 2.667 weight 1.000 ! spec=13C_...nD2O, no=80, id=835, vol=2.281134e+07
    or (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   40 and name  HE1)
assign (segid "   C" and resid    9 and name HD23) (segid "   C" and resid    9 and name  HB1) 2.777 0.964 0.964 weight 1.000 ! spec=13C_...nD2O, no=81, id=381, vol=1.399134e+08
    or (segid "   C" and resid    9 and name HD22) (segid "   C" and resid    9 and name  HB1)
    or (segid "   C" and resid    9 and name HD21) (segid "   C" and resid    9 and name  HB1)
assign (segid "   C" and resid    9 and name HD23) (segid "   C" and resid    9 and name   HA) 3.146 1.237 1.237 weight 1.000 ! spec=13C_...nD2O, no=83, id=383, vol=8.514500e+07
    or (segid "   C" and resid    9 and name HD22) (segid "   C" and resid    9 and name   HA)
    or (segid "   C" and resid    9 and name HD21) (segid "   C" and resid    9 and name   HA)
assign (segid "   C" and resid    9 and name HD13) (segid "   C" and resid    9 and name   HA) 2.254 0.635 0.635 weight 1.000 ! spec=13C_...nD2O, no=85, id=385, vol=4.134082e+08
    or (segid "   C" and resid    9 and name HD12) (segid "   C" and resid    9 and name   HA)
    or (segid "   C" and resid    9 and name HD11) (segid "   C" and resid    9 and name   HA)
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   36 and name  HZ2) 3.639 1.655 1.655 weight 1.000 ! spec=13C_...nD2O, no=87, id=839, vol=4.246128e+07
assign (segid "   C" and resid   11 and name  HB1) (segid "   C" and resid   11 and name   HA) 2.378 0.707 0.707 weight 1.000 ! spec=13C_...nD2O, no=92, id=388, vol=3.956621e+08
assign (segid "   C" and resid   21 and name  HA2) (segid "   C" and resid   14 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=13C_...nD2O, no=101, id=392, vol=1.535589e+08
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB1) 1.933 0.467 0.467 weight 1.000 ! spec=13C_...nD2O, no=109, id=397, vol=7.993259e+08
    or (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB3)
    or (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB2)
assign (segid "   C" and resid   10 and name  HB1) (segid "   C" and resid   11 and name  HD2) 2.628 0.863 0.863 weight 1.000 ! spec=13C_...nD2O, no=110, id=398, vol=3.326054e+08
    or (segid "   C" and resid   10 and name  HB3) (segid "   C" and resid   11 and name  HD2)
    or (segid "   C" and resid   10 and name  HB2) (segid "   C" and resid   11 and name  HD2)
assign (segid "   C" and resid   14 and name  HB1) (segid "   C" and resid   14 and name   HA) 2.832 1.002 1.002 weight 1.000 ! spec=13C_...nD2O, no=115, id=401, vol=9.125494e+07
assign (segid "   C" and resid   14 and name  HB2) (segid "   C" and resid   14 and name   HA) 3.307 1.367 1.367 weight 1.000 ! spec=13C_...nD2O, no=116, id=402, vol=6.780986e+07
assign (segid "   C" and resid   14 and name  HG2) (segid "   C" and resid   14 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=13C_...nD2O, no=129, id=408, vol=9.411305e+07
assign (segid "   C" and resid   15 and name  HB2) (segid "   C" and resid   15 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=13C_...nD2O, no=132, id=410, vol=1.727850e+08
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   15 and name   HA) 3.715 1.725 1.725 weight 1.000 ! spec=13C_...nD2O, no=134, id=411, vol=5.675518e+07
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   15 and name   HA)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   15 and name   HA)
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   15 and name   HA) 2.630 0.865 0.865 weight 1.000 ! spec=13C_...nD2O, no=135, id=412, vol=1.679674e+08
assign (segid "   C" and resid   15 and name  HB1) (segid "   C" and resid   15 and name  HB2) 1.769 0.391 0.391 weight 1.000 ! spec=13C_...nD2O, no=137, id=414, vol=8.072757e+08
assign (segid "   C" and resid   15 and name  HB1) (segid "   C" and resid   15 and name   HA) 3.208 1.286 1.286 weight 1.000 ! spec=13C_...nD2O, no=138, id=415, vol=9.859233e+07
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   15 and name  HB1) 3.571 1.594 1.594 weight 1.000 ! spec=13C_...nD2O, no=139, id=416, vol=6.854885e+07
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   15 and name  HB1)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   15 and name  HB1)
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   15 and name  HB2) 2.850 1.015 1.015 weight 1.000 ! spec=13C_...nD2O, no=140, id=417, vol=7.960280e+07
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   15 and name  HB2)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   15 and name  HB2)
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   15 and name  HB2) 2.833 1.003 1.003 weight 1.000 ! spec=13C_...nD2O, no=141, id=418, vol=6.865052e+07
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=13C_...nD2O, no=142, id=419, vol=1.407344e+08
assign (segid "   C" and resid   18 and name  HB1) (segid "   C" and resid   18 and name   HA) 2.374 0.705 0.705 weight 1.000 ! spec=13C_...nD2O, no=157, id=425, vol=4.562287e+08
assign (segid "   C" and resid   18 and name  HB2) (segid "   C" and resid   18 and name   HA) 2.251 0.634 0.634 weight 1.000 ! spec=13C_...nD2O, no=158, id=426, vol=5.910201e+08
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   18 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=13C_...nD2O, no=159, id=427, vol=1.374124e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   18 and name   HA)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   18 and name   HA)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   18 and name  HB2) 3.586 1.607 1.607 weight 1.000 ! spec=13C_...nD2O, no=166, id=430, vol=5.482248e+07
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   18 and name  HB2)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   18 and name  HB2)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   18 and name  HB1) 3.904 1.905 1.905 weight 1.000 ! spec=13C_...nD2O, no=168, id=431, vol=3.735809e+07
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   18 and name  HB1)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   18 and name  HB1)
assign (segid "   C" and resid   19 and name  HA1) (segid "   C" and resid   19 and name  HA2) 1.891 0.447 0.447 weight 1.000 ! spec=13C_...nD2O, no=171, id=433, vol=7.670522e+08
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name   HA) 4.772 2.846 2.846 weight 1.000 ! spec=13C_...nD2O, no=176, id=436, vol=2.942565e+07
assign (segid "   C" and resid   20 and name  HB2) (segid "   C" and resid   20 and name   HA) 2.802 0.981 0.981 weight 1.000 ! spec=13C_...nD2O, no=178, id=437, vol=2.397913e+08
assign (segid "   C" and resid   20 and name  HB1) (segid "   C" and resid   20 and name   HA) 2.337 0.683 0.683 weight 1.000 ! spec=13C_...nD2O, no=179, id=438, vol=3.618224e+08
assign (segid "   C" and resid   14 and name  HG2) (segid "   C" and resid   20 and name   HA) 3.400 1.445 1.445 weight 1.000 ! spec=13C_...nD2O, no=180, id=439, vol=5.455494e+07
assign (segid "   C" and resid   20 and name  HB1) (segid "   C" and resid   20 and name  HB2) 1.818 0.413 0.413 weight 1.000 ! spec=13C_...nD2O, no=181, id=440, vol=8.583934e+08
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name  HB1) 3.771 1.777 1.777 weight 1.000 ! spec=13C_...nD2O, no=185, id=444, vol=1.061206e+08
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name  HB2) 2.450 0.750 0.750 weight 1.000 ! spec=13C_...nD2O, no=186, id=445, vol=2.243201e+08
assign (segid "   C" and resid   21 and name  HA2) (segid "   C" and resid   21 and name  HA1) 1.784 0.398 0.398 weight 1.000 ! spec=13C_...nD2O, no=188, id=446, vol=9.470554e+08
assign (segid "   C" and resid   14 and name  HB1) (segid "   C" and resid   21 and name  HA1) 3.459 1.496 1.496 weight 1.000 ! spec=13C_...nD2O, no=189, id=447, vol=7.947269e+07
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   21 and name  HA1) 3.747 1.755 1.755 weight 1.000 ! spec=13C_...nD2O, no=190, id=448, vol=4.757518e+07
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   21 and name  HA1)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   21 and name  HA1)
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   21 and name  HA1) 3.789 1.794 1.794 weight 1.000 ! spec=13C_...nD2O, no=191, id=449, vol=9.773191e+07
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   21 and name  HA1)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   21 and name  HA1)
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   22 and name   HB) 2.881 1.037 1.037 weight 1.000 ! spec=13C_...nD2O, no=197, id=453, vol=1.205742e+08
assign (segid "   C" and resid   22 and name HG23) (segid "   C" and resid   22 and name   HB) 1.985 0.492 0.492 weight 1.000 ! spec=13C_...nD2O, no=200, id=455, vol=8.543059e+08
    or (segid "   C" and resid   22 and name HG21) (segid "   C" and resid   22 and name   HB)
    or (segid "   C" and resid   22 and name HG22) (segid "   C" and resid   22 and name   HB)
assign (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   22 and name HG23) 3.930 1.931 1.931 weight 1.000 ! spec=13C_...nD2O, no=201, id=456, vol=6.747032e+07
    or (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   22 and name HG21)
    or (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   22 and name HG22)
assign (segid "   C" and resid   23 and name  HB1) (segid "   C" and resid   23 and name   HA) 2.855 1.019 1.019 weight 1.000 ! spec=13C_...nD2O, no=204, id=457, vol=2.479030e+08
assign (segid "   C" and resid   23 and name  HB1) (segid "   C" and resid   23 and name  HB2) 1.872 0.438 0.438 weight 1.000 ! spec=13C_...nD2O, no=205, id=458, vol=9.458920e+08
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   24 and name   HA) 3.799 1.804 1.804 weight 1.000 ! spec=13C_...nD2O, no=207, id=460, vol=8.349341e+07
assign (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name   HA) 2.297 0.659 0.659 weight 1.000 ! spec=13C_...nD2O, no=208, id=461, vol=2.977579e+08
assign (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG13) 2.114 0.558 0.558 weight 1.000 ! spec=13C_...nD2O, no=213, id=465, vol=4.172089e+08
    or (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   24 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=13C_...nD2O, no=218, id=466, vol=2.223704e+08
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   24 and name   HA)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   24 and name   HA)
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   14 and name   HA) 3.140 1.232 1.232 weight 1.000 ! spec=13C_...nD2O, no=219, id=467, vol=7.225454e+07
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   14 and name   HA)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   14 and name   HA)
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   21 and name  HA2) 2.974 1.105 1.105 weight 1.000 ! spec=13C_...nD2O, no=220, id=468, vol=1.107749e+08
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   21 and name  HA2)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   21 and name  HA2)
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG13) 3.586 1.608 1.608 weight 1.000 ! spec=13C_...nD2O, no=221, id=469, vol=3.384021e+07
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   24 and name HG22) 2.142 0.574 0.574 weight 1.000 ! spec=13C_...nD2O, no=223, id=471, vol=3.346520e+08
    or (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG22) 2.001 0.501 0.501 weight 1.000 ! spec=13C_...nD2O, no=225, id=472, vol=5.900107e+08
    or (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   24 and name   HA) 2.015 0.507 0.507 weight 1.000 ! spec=13C_...nD2O, no=227, id=473, vol=7.325583e+08
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   24 and name   HA)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   24 and name   HA)
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   14 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=13C_...nD2O, no=229, id=475, vol=1.805959e+08
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   14 and name   HA)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   14 and name   HA)
assign (segid "   C" and resid   24 and name HG22) (segid "   C" and resid   21 and name  HA2) 2.228 0.621 0.621 weight 1.000 ! spec=13C_...nD2O, no=230, id=476, vol=3.156814e+08
    or (segid "   C" and resid   24 and name HG23) (segid "   C" and resid   21 and name  HA2)
    or (segid "   C" and resid   24 and name HG21) (segid "   C" and resid   21 and name  HA2)
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   24 and name HG22) 3.256 1.325 1.325 weight 1.000 ! spec=13C_...nD2O, no=232, id=477, vol=5.357805e+07
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG22) 3.553 1.578 1.578 weight 1.000 ! spec=13C_...nD2O, no=233, id=478, vol=4.568253e+07
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   24 and name HG22) 2.277 0.648 0.648 weight 1.000 ! spec=13C_...nD2O, no=237, id=481, vol=1.950651e+08
    or (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   25 and name  HB1) (segid "   C" and resid   25 and name   HA) 2.618 0.857 0.857 weight 1.000 ! spec=13C_...nD2O, no=241, id=482, vol=3.342379e+08
assign (segid "   C" and resid   25 and name   HA) (segid "   C" and resid   25 and name   HG) 3.372 1.422 1.422 weight 1.000 ! spec=13C_...nD2O, no=246, id=486, vol=4.730702e+07
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   25 and name   HG) 3.586 1.608 1.608 weight 1.000 ! spec=13C_...nD2O, no=247, id=487, vol=2.970148e+07
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   26 and name   HA) 4.256 2.264 2.264 weight 1.000 ! spec=13C_...nD2O, no=249, id=489, vol=2.391647e+07
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   26 and name   HA) 4.129 2.131 2.131 weight 1.000 ! spec=13C_...nD2O, no=251, id=491, vol=3.892726e+07
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   26 and name  HB2) 3.917 1.918 1.918 weight 1.000 ! spec=13C_...nD2O, no=255, id=495, vol=3.021268e+07
assign (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   26 and name   HA) 3.008 1.131 1.131 weight 1.000 ! spec=13C_...nD2O, no=256, id=496, vol=9.266796e+07
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   26 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=13C_...nD2O, no=257, id=497, vol=9.832193e+07
assign (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   26 and name  HB1) 4.016 2.016 2.016 weight 1.000 ! spec=13C_...nD2O, no=258, id=498, vol=2.777024e+07
assign (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   26 and name  HG2) 3.330 1.386 1.386 weight 1.000 ! spec=13C_...nD2O, no=262, id=500, vol=9.001996e+07
assign (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   26 and name  HG1) 3.220 1.296 1.296 weight 1.000 ! spec=13C_...nD2O, no=263, id=501, vol=7.000870e+07
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   27 and name   HA) 2.698 0.910 0.910 weight 1.000 ! spec=13C_...nD2O, no=265, id=502, vol=1.935503e+08
assign (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   27 and name   HA) 2.431 0.739 0.739 weight 1.000 ! spec=13C_...nD2O, no=267, id=504, vol=2.573528e+08
assign (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   27 and name   HA) 2.927 1.071 1.071 weight 1.000 ! spec=13C_...nD2O, no=271, id=506, vol=1.673019e+08
assign (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   27 and name  HB1) 1.836 0.421 0.421 weight 1.000 ! spec=13C_...nD2O, no=273, id=508, vol=7.653194e+08
assign (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   27 and name  HB2) 3.308 1.368 1.368 weight 1.000 ! spec=13C_...nD2O, no=276, id=511, vol=9.880632e+07
    or (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   27 and name  HB2)
    or (segid "   C" and resid   32 and name  HB3) (segid "   C" and resid   27 and name  HB2)
assign (segid "   C" and resid   53 and name  HB2) (segid "   C" and resid   27 and name  HB1) 2.450 0.750 0.750 weight 1.000 ! spec=13C_...nD2O, no=277, id=512, vol=1.517278e+08
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   27 and name  HB2) 4.421 2.443 2.443 weight 1.000 ! spec=13C_...nD2O, no=280, id=514, vol=4.857849e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   27 and name  HB2)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   27 and name  HB2) 4.693 2.753 2.753 weight 1.000 ! spec=13C_...nD2O, no=282, id=515, vol=2.448697e+07
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   27 and name  HB2)
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   27 and name  HB2) 4.395 2.415 2.415 weight 1.000 ! spec=13C_...nD2O, no=284, id=516, vol=1.795619e+07
assign (segid "   C" and resid   28 and name HG23) (segid "   C" and resid   28 and name   HA) 2.242 0.629 0.629 weight 1.000 ! spec=13C_...nD2O, no=288, id=517, vol=5.940940e+08
    or (segid "   C" and resid   28 and name HG21) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid   28 and name HG22) (segid "   C" and resid   28 and name   HA)
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   28 and name   HB) 2.669 0.891 0.891 weight 1.000 ! spec=13C_...nD2O, no=289, id=518, vol=1.883707e+08
assign (segid "   C" and resid   28 and name HG23) (segid "   C" and resid   28 and name   HB) 1.967 0.483 0.483 weight 1.000 ! spec=13C_...nD2O, no=295, id=522, vol=8.715750e+08
    or (segid "   C" and resid   28 and name HG21) (segid "   C" and resid   28 and name   HB)
    or (segid "   C" and resid   28 and name HG22) (segid "   C" and resid   28 and name   HB)
assign (segid "   C" and resid   29 and name   HA) (segid "   C" and resid   29 and name  HB2) 3.267 1.334 1.334 weight 1.000 ! spec=13C_...nD2O, no=296, id=523, vol=1.004249e+08
assign (segid "   C" and resid   30 and name  HB1) (segid "   C" and resid   30 and name   HA) 2.997 1.123 1.123 weight 1.000 ! spec=13C_...nD2O, no=303, id=525, vol=1.393304e+08
assign (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   30 and name  HB1) 2.072 0.537 0.537 weight 1.000 ! spec=13C_...nD2O, no=305, id=527, vol=4.201459e+08
assign (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   31 and name  HB2) 1.930 0.466 0.466 weight 1.000 ! spec=13C_...nD2O, no=312, id=528, vol=8.876847e+08
    or (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   31 and name  HB1)
    or (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   31 and name  HB3)
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   26 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=13C_...nD2O, no=317, id=531, vol=1.513637e+08
assign (segid "   C" and resid   24 and name   HB) (segid "   C" and resid   33 and name   HA) 3.620 1.638 1.638 weight 1.000 ! spec=13C_...nD2O, no=319, id=533, vol=2.921190e+07
assign (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   33 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=13C_...nD2O, no=320, id=534, vol=7.143734e+07
    or (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   32 and name  HB3) (segid "   C" and resid   33 and name   HA)
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   33 and name  HB3) 2.710 0.918 0.918 weight 1.000 ! spec=13C_...nD2O, no=324, id=538, vol=1.478906e+08
    or (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   33 and name  HB2)
    or (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   33 and name  HB1)
assign (segid "   C" and resid   15 and name  HB1) (segid "   C" and resid   34 and name   HA) 5.297 3.507 3.507 weight 1.000 ! spec=13C_...nD2O, no=331, id=541, vol=2.457216e+07
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   34 and name   HA) 3.771 1.778 1.778 weight 1.000 ! spec=13C_...nD2O, no=333, id=542, vol=2.646206e+07
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   34 and name   HA)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   34 and name   HA)
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   34 and name  HB2) 3.986 1.986 1.986 weight 1.000 ! spec=13C_...nD2O, no=335, id=544, vol=2.034875e+07
assign (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   35 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=13C_...nD2O, no=336, id=545, vol=2.627263e+08
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   24 and name HG22) 4.571 2.611 2.611 weight 1.000 ! spec=13C_...nD2O, no=339, id=546, vol=1.568753e+07
    or (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   35 and name  HB1) 1.830 0.419 0.419 weight 1.000 ! spec=13C_...nD2O, no=342, id=548, vol=7.166648e+08
assign (segid "   C" and resid   40 and name  HB1) (segid "   C" and resid   36 and name   HA) 3.232 1.306 1.306 weight 1.000 ! spec=13C_...nD2O, no=352, id=551, vol=5.940127e+07
assign (segid "   C" and resid   44 and name HG22) (segid "   C" and resid   44 and name   HA) 2.245 0.630 0.630 weight 1.000 ! spec=13C_...nD2O, no=353, id=552, vol=5.275446e+08
    or (segid "   C" and resid   44 and name HG21) (segid "   C" and resid   44 and name   HA)
    or (segid "   C" and resid   44 and name HG23) (segid "   C" and resid   44 and name   HA)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   36 and name   HA) 3.318 1.376 1.376 weight 1.000 ! spec=13C_...nD2O, no=355, id=553, vol=1.228515e+08
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   36 and name   HA)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   36 and name   HA) 3.371 1.420 1.420 weight 1.000 ! spec=13C_...nD2O, no=356, id=554, vol=1.013909e+08
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   36 and name   HA)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   36 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=13C_...nD2O, no=357, id=555, vol=2.073774e+08
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   36 and name   HA)
assign (segid "   C" and resid   36 and name  HE3) (segid "   C" and resid   36 and name   HA) 2.736 0.935 0.935 weight 1.000 ! spec=13C_...nD2O, no=358, id=556, vol=1.722940e+08
assign (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   37 and name  HG1) 3.338 1.393 1.393 weight 1.000 ! spec=13C_...nD2O, no=369, id=564, vol=6.987806e+07
assign (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   37 and name  HG2) 4.527 2.562 2.562 weight 1.000 ! spec=13C_...nD2O, no=370, id=565, vol=3.347028e+07
assign (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   38 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=13C_...nD2O, no=375, id=568, vol=1.587154e+08
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   38 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=13C_...nD2O, no=376, id=569, vol=2.649465e+08
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   39 and name  HB1) 4.379 2.396 2.396 weight 1.000 ! spec=13C_...nD2O, no=378, id=570, vol=3.421865e+07
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   38 and name   HA) 4.549 2.587 2.587 weight 1.000 ! spec=13C_...nD2O, no=380, id=571, vol=1.996149e+07
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   38 and name  HB1) 2.780 0.966 0.966 weight 1.000 ! spec=13C_...nD2O, no=382, id=572, vol=1.059333e+08
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   38 and name  HB2) 3.280 1.345 1.345 weight 1.000 ! spec=13C_...nD2O, no=383, id=573, vol=7.983873e+07
assign (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   38 and name  HB1) 3.926 1.926 1.926 weight 1.000 ! spec=13C_...nD2O, no=387, id=577, vol=1.148508e+08
assign (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   38 and name  HB2) 1.846 0.426 0.426 weight 1.000 ! spec=13C_...nD2O, no=389, id=579, vol=5.150716e+08
assign (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   17 and name   HB) 3.476 1.510 1.510 weight 1.000 ! spec=13C_...nD2O, no=390, id=580, vol=1.494690e+08
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   17 and name   HB) 2.075 0.538 0.538 weight 1.000 ! spec=13C_...nD2O, no=391, id=581, vol=3.152951e+08
assign (segid "   C" and resid   54 and name  HB2) (segid "   C" and resid   39 and name   HA) 3.785 1.791 1.791 weight 1.000 ! spec=13C_...nD2O, no=394, id=584, vol=4.117587e+07
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   39 and name  HB1) 3.220 1.296 1.296 weight 1.000 ! spec=13C_...nD2O, no=399, id=587, vol=6.068323e+07
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   39 and name  HB1) 4.430 2.453 2.453 weight 1.000 ! spec=13C_...nD2O, no=400, id=588, vol=3.375240e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   39 and name  HB1)
assign (segid "   C" and resid   54 and name  HB2) (segid "   C" and resid   39 and name  HB1) 3.972 1.972 1.972 weight 1.000 ! spec=13C_...nD2O, no=401, id=589, vol=8.978573e+07
assign (segid "   C" and resid   54 and name  HB2) (segid "   C" and resid   39 and name  HB2) 3.629 1.646 1.646 weight 1.000 ! spec=13C_...nD2O, no=404, id=590, vol=5.692406e+07
assign (segid "   C" and resid   63 and name   HA) (segid "   C" and resid   64 and name  HD2) 2.112 0.558 0.558 weight 1.000 ! spec=13C_...nD2O, no=410, id=593, vol=6.110390e+08
assign (segid "   C" and resid   40 and name  HB1) (segid "   C" and resid   41 and name  HD1) 4.872 2.967 2.967 weight 1.000 ! spec=13C_...nD2O, no=411, id=594, vol=2.988325e+07
assign (segid "   C" and resid   40 and name  HB1) (segid "   C" and resid   41 and name  HD2) 4.657 2.711 2.711 weight 1.000 ! spec=13C_...nD2O, no=412, id=595, vol=3.366162e+07
assign (segid "   C" and resid   41 and name  HD1) (segid "   C" and resid   41 and name  HB1) 3.606 1.625 1.625 weight 1.000 ! spec=13C_...nD2O, no=413, id=596, vol=3.984941e+07
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name  HD1) 2.376 0.706 0.706 weight 1.000 ! spec=13C_...nD2O, no=415, id=598, vol=2.922013e+08
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name  HD2) 2.590 0.838 0.838 weight 1.000 ! spec=13C_...nD2O, no=416, id=599, vol=2.198000e+08
assign (segid "   C" and resid   41 and name  HB2) (segid "   C" and resid   42 and name   HA) 4.299 2.311 2.311 weight 1.000 ! spec=13C_...nD2O, no=421, id=602, vol=2.263429e+07
assign (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB3) 1.942 0.472 0.472 weight 1.000 ! spec=13C_...nD2O, no=422, id=603, vol=1.115364e+09
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB1)
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB2)
assign (segid "   C" and resid   45 and name  HB1) (segid "   C" and resid   44 and name HG22) 3.870 1.873 1.873 weight 1.000 ! spec=13C_...nD2O, no=425, id=605, vol=8.726729e+07
    or (segid "   C" and resid   45 and name  HB1) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   45 and name  HB1) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   44 and name HG22) 2.502 0.782 0.782 weight 1.000 ! spec=13C_...nD2O, no=426, id=606, vol=2.351503e+08
    or (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   44 and name HG22) 3.513 1.542 1.542 weight 1.000 ! spec=13C_...nD2O, no=427, id=607, vol=8.788031e+07
    or (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   44 and name HG23)
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   46 and name   HA) 3.160 1.249 1.249 weight 1.000 ! spec=13C_...nD2O, no=433, id=610, vol=7.211176e+07
assign (segid "   C" and resid   44 and name HG22) (segid "   C" and resid   46 and name   HA) 3.203 1.282 1.282 weight 1.000 ! spec=13C_...nD2O, no=438, id=614, vol=1.267471e+08
    or (segid "   C" and resid   44 and name HG21) (segid "   C" and resid   46 and name   HA)
    or (segid "   C" and resid   44 and name HG23) (segid "   C" and resid   46 and name   HA)
assign (segid "   C" and resid   46 and name  HB1) (segid "   C" and resid   46 and name   HA) 2.543 0.808 0.808 weight 1.000 ! spec=13C_...nD2O, no=439, id=615, vol=2.100708e+08
assign (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   46 and name  HB1) 4.361 2.377 2.377 weight 1.000 ! spec=13C_...nD2O, no=442, id=617, vol=3.226645e+07
assign (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   46 and name  HB2) 3.551 1.576 1.576 weight 1.000 ! spec=13C_...nD2O, no=443, id=618, vol=4.633848e+07
assign (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   46 and name   HA) 2.200 0.605 0.605 weight 1.000 ! spec=13C_...nD2O, no=462, id=624, vol=3.734764e+08
assign (segid "   C" and resid   47 and name  HD2) (segid "   C" and resid   46 and name   HA) 2.197 0.604 0.604 weight 1.000 ! spec=13C_...nD2O, no=463, id=625, vol=3.843819e+08
assign (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   47 and name  HD1) 3.660 1.675 1.675 weight 1.000 ! spec=13C_...nD2O, no=464, id=626, vol=4.724940e+07
assign (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   47 and name  HD2) 3.981 1.981 1.981 weight 1.000 ! spec=13C_...nD2O, no=465, id=627, vol=1.992825e+07
assign (segid "   C" and resid   51 and name HD22) (segid "   C" and resid   47 and name  HD1) 2.318 0.671 0.671 weight 1.000 ! spec=13C_...nD2O, no=470, id=630, vol=2.477306e+08
    or (segid "   C" and resid   51 and name HD23) (segid "   C" and resid   47 and name  HD1)
    or (segid "   C" and resid   51 and name HD21) (segid "   C" and resid   47 and name  HD1)
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   47 and name  HD1) 4.282 2.292 2.292 weight 1.000 ! spec=13C_...nD2O, no=474, id=632, vol=3.266120e+07
assign (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   47 and name  HD2) 4.217 2.223 2.223 weight 1.000 ! spec=13C_...nD2O, no=475, id=633, vol=2.677840e+07
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   47 and name  HD1) 3.399 1.445 1.445 weight 1.000 ! spec=13C_...nD2O, no=476, id=634, vol=6.692431e+07
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   47 and name  HD2) 3.049 1.162 1.162 weight 1.000 ! spec=13C_...nD2O, no=477, id=635, vol=7.569232e+07
assign (segid "   C" and resid   49 and name HG21) (segid "   C" and resid   49 and name   HA) 2.389 0.713 0.713 weight 1.000 ! spec=13C_...nD2O, no=485, id=637, vol=4.099680e+08
    or (segid "   C" and resid   49 and name HG22) (segid "   C" and resid   49 and name   HA)
    or (segid "   C" and resid   49 and name HG23) (segid "   C" and resid   49 and name   HA)
assign (segid "   C" and resid   49 and name   HB) (segid "   C" and resid   49 and name HG21) 2.041 0.521 0.521 weight 1.000 ! spec=13C_...nD2O, no=496, id=639, vol=7.530415e+08
    or (segid "   C" and resid   49 and name   HB) (segid "   C" and resid   49 and name HG22)
    or (segid "   C" and resid   49 and name   HB) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   51 and name  HB2) 2.744 0.941 0.941 weight 1.000 ! spec=13C_...nD2O, no=505, id=641, vol=1.716799e+08
assign (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   51 and name  HB1) 2.471 0.763 0.763 weight 1.000 ! spec=13C_...nD2O, no=506, id=642, vol=2.027145e+08
assign (segid "   C" and resid   51 and name HD11) (segid "   C" and resid   51 and name   HA) 2.347 0.688 0.688 weight 1.000 ! spec=13C_...nD2O, no=518, id=649, vol=3.482883e+08
    or (segid "   C" and resid   51 and name HD13) (segid "   C" and resid   51 and name   HA)
    or (segid "   C" and resid   51 and name HD12) (segid "   C" and resid   51 and name   HA)
assign (segid "   C" and resid   51 and name HD22) (segid "   C" and resid   51 and name   HA) 2.353 0.692 0.692 weight 1.000 ! spec=13C_...nD2O, no=519, id=650, vol=2.408614e+08
    or (segid "   C" and resid   51 and name HD23) (segid "   C" and resid   51 and name   HA)
    or (segid "   C" and resid   51 and name HD21) (segid "   C" and resid   51 and name   HA)
assign (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   51 and name HD11) 2.975 1.106 1.106 weight 1.000 ! spec=13C_...nD2O, no=520, id=651, vol=1.131397e+08
    or (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   47 and name  HD1) (segid "   C" and resid   51 and name HD12)
assign (segid "   C" and resid   51 and name HD22) (segid "   C" and resid   51 and name  HB1) 2.283 0.652 0.652 weight 1.000 ! spec=13C_...nD2O, no=524, id=653, vol=3.349247e+08
    or (segid "   C" and resid   51 and name HD23) (segid "   C" and resid   51 and name  HB1)
    or (segid "   C" and resid   51 and name HD21) (segid "   C" and resid   51 and name  HB1)
assign (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name   HA) 2.863 1.024 1.024 weight 1.000 ! spec=13C_...nD2O, no=529, id=657, vol=1.674266e+08
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   52 and name  HG1) 2.706 0.915 0.915 weight 1.000 ! spec=13C_...nD2O, no=547, id=671, vol=1.184882e+08
assign (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   53 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=13C_...nD2O, no=548, id=672, vol=1.215843e+08
assign (segid "   C" and resid   53 and name  HB2) (segid "   C" and resid   53 and name   HA) 2.777 0.964 0.964 weight 1.000 ! spec=13C_...nD2O, no=552, id=674, vol=1.459421e+08
assign (segid "   C" and resid   53 and name  HB1) (segid "   C" and resid   53 and name  HB2) 1.944 0.472 0.472 weight 1.000 ! spec=13C_...nD2O, no=556, id=676, vol=4.905338e+08
assign (segid "   C" and resid   53 and name  HB1) (segid "   C" and resid   53 and name   HA) 2.436 0.742 0.742 weight 1.000 ! spec=13C_...nD2O, no=557, id=677, vol=2.697694e+08
assign (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   53 and name  HB2) 3.731 1.740 1.740 weight 1.000 ! spec=13C_...nD2O, no=560, id=678, vol=1.190064e+08
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   54 and name   HA) 3.425 1.466 1.466 weight 1.000 ! spec=13C_...nD2O, no=566, id=680, vol=1.352749e+08
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   54 and name   HA)
assign (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   54 and name   HA) 2.865 1.026 1.026 weight 1.000 ! spec=13C_...nD2O, no=567, id=681, vol=1.828412e+08
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   54 and name   HA) 4.878 2.975 2.975 weight 1.000 ! spec=13C_...nD2O, no=568, id=682, vol=1.388765e+07
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   54 and name   HA)
assign (segid "   C" and resid   54 and name  HD1) (segid "   C" and resid   54 and name   HA) 3.912 1.913 1.913 weight 1.000 ! spec=13C_...nD2O, no=569, id=683, vol=4.766234e+07
assign (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name   HA) 3.721 1.731 1.731 weight 1.000 ! spec=13C_...nD2O, no=570, id=684, vol=2.197435e+07
assign (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name  HB1) 4.106 2.107 2.107 weight 1.000 ! spec=13C_...nD2O, no=576, id=687, vol=5.256506e+07
assign (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name  HB2) 3.818 1.822 1.822 weight 1.000 ! spec=13C_...nD2O, no=577, id=688, vol=5.938267e+07
assign (segid "   C" and resid   54 and name  HD1) (segid "   C" and resid   54 and name  HB1) 2.797 0.978 0.978 weight 1.000 ! spec=13C_...nD2O, no=578, id=689, vol=9.367002e+07
assign (segid "   C" and resid   54 and name  HB1) (segid "   C" and resid   54 and name   HA) 2.921 1.067 1.067 weight 1.000 ! spec=13C_...nD2O, no=580, id=690, vol=1.072801e+08
assign (segid "   C" and resid   54 and name  HB2) (segid "   C" and resid   54 and name   HA) 2.483 0.771 0.771 weight 1.000 ! spec=13C_...nD2O, no=581, id=691, vol=1.924121e+08
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   54 and name  HB1) 5.215 3.400 3.400 weight 1.000 ! spec=13C_...nD2O, no=584, id=693, vol=1.540478e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   54 and name  HB1)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   54 and name  HB2) 4.284 2.294 2.294 weight 1.000 ! spec=13C_...nD2O, no=585, id=694, vol=2.599914e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   54 and name  HB2)
assign (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name  HD1) 1.741 0.379 0.379 weight 1.000 ! spec=13C_...nD2O, no=586, id=695, vol=8.404197e+08
assign (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HD2) 2.668 0.889 0.889 weight 1.000 ! spec=13C_...nD2O, no=593, id=699, vol=1.186118e+08
assign (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HD1) 2.968 1.101 1.101 weight 1.000 ! spec=13C_...nD2O, no=595, id=700, vol=1.152835e+08
assign (segid "   C" and resid   56 and name   HA) (segid "   C" and resid   56 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=13C_...nD2O, no=597, id=701, vol=2.721041e+08
assign (segid "   C" and resid   56 and name   HA) (segid "   C" and resid   56 and name  HB1) 2.917 1.063 1.063 weight 1.000 ! spec=13C_...nD2O, no=606, id=705, vol=1.081924e+08
assign (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   56 and name  HB1) 2.619 0.857 0.857 weight 1.000 ! spec=13C_...nD2O, no=611, id=707, vol=1.980730e+08
assign (segid "   C" and resid   56 and name  HB2) (segid "   C" and resid   52 and name  HG1) 2.832 1.002 1.002 weight 1.000 ! spec=13C_...nD2O, no=612, id=708, vol=1.603086e+08
assign (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   57 and name  HB1) 3.909 1.910 1.910 weight 1.000 ! spec=13C_...nD2O, no=620, id=713, vol=2.766397e+07
assign (segid "   C" and resid   59 and name  HB1) (segid "   C" and resid   59 and name   HA) 2.920 1.066 1.066 weight 1.000 ! spec=13C_...nD2O, no=627, id=717, vol=1.902938e+08
assign (segid "   C" and resid   59 and name  HB2) (segid "   C" and resid   59 and name   HA) 2.630 0.865 0.865 weight 1.000 ! spec=13C_...nD2O, no=628, id=718, vol=2.052159e+08
assign (segid "   C" and resid   60 and name   HA) (segid "   C" and resid   60 and name   HB) 2.727 0.930 0.930 weight 1.000 ! spec=13C_...nD2O, no=632, id=720, vol=1.489520e+08
assign (segid "   C" and resid   60 and name HG23) (segid "   C" and resid   60 and name   HB) 2.095 0.549 0.549 weight 1.000 ! spec=13C_...nD2O, no=633, id=721, vol=5.530522e+08
    or (segid "   C" and resid   60 and name HG21) (segid "   C" and resid   60 and name   HB)
    or (segid "   C" and resid   60 and name HG22) (segid "   C" and resid   60 and name   HB)
assign (segid "   C" and resid   60 and name   HA) (segid "   C" and resid   60 and name HG23) 2.432 0.740 0.740 weight 1.000 ! spec=13C_...nD2O, no=634, id=722, vol=3.134883e+08
    or (segid "   C" and resid   60 and name   HA) (segid "   C" and resid   60 and name HG21)
    or (segid "   C" and resid   60 and name   HA) (segid "   C" and resid   60 and name HG22)
assign (segid "   C" and resid   61 and name   HA) (segid "   C" and resid   62 and name  HD2) 2.248 0.632 0.632 weight 1.000 ! spec=13C_...nD2O, no=635, id=723, vol=4.362889e+08
assign (segid "   C" and resid   62 and name  HB2) (segid "   C" and resid   61 and name   HA) 4.552 2.590 2.590 weight 1.000 ! spec=13C_...nD2O, no=638, id=724, vol=3.924458e+07
assign (segid "   C" and resid   61 and name HG21) (segid "   C" and resid   61 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=13C_...nD2O, no=639, id=725, vol=2.189898e+08
    or (segid "   C" and resid   61 and name HG22) (segid "   C" and resid   61 and name   HA)
    or (segid "   C" and resid   61 and name HG23) (segid "   C" and resid   61 and name   HA)
assign (segid "   C" and resid   61 and name HG21) (segid "   C" and resid   61 and name   HB) 2.348 0.689 0.689 weight 1.000 ! spec=13C_...nD2O, no=642, id=726, vol=3.095568e+08
    or (segid "   C" and resid   61 and name HG22) (segid "   C" and resid   61 and name   HB)
    or (segid "   C" and resid   61 and name HG23) (segid "   C" and resid   61 and name   HB)
assign (segid "   C" and resid   62 and name  HB1) (segid "   C" and resid   62 and name   HA) 2.273 0.646 0.646 weight 1.000 ! spec=13C_...nD2O, no=645, id=727, vol=5.807780e+08
assign (segid "   C" and resid   62 and name   HA) (segid "   C" and resid   62 and name  HB2) 2.317 0.671 0.671 weight 1.000 ! spec=13C_...nD2O, no=646, id=728, vol=3.888475e+08
assign (segid "   C" and resid   61 and name HG21) (segid "   C" and resid   62 and name  HD2) 3.801 1.806 1.806 weight 1.000 ! spec=13C_...nD2O, no=652, id=731, vol=2.505422e+07
    or (segid "   C" and resid   61 and name HG22) (segid "   C" and resid   62 and name  HD2)
    or (segid "   C" and resid   61 and name HG23) (segid "   C" and resid   62 and name  HD2)
assign (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=13C_...nD2O, no=661, id=733, vol=1.839114e+08
assign (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HB1) 2.836 1.005 1.005 weight 1.000 ! spec=13C_...nD2O, no=662, id=734, vol=1.686425e+08
assign (segid "   C" and resid   65 and name   HB) (segid "   C" and resid   65 and name   HA) 2.892 1.046 1.046 weight 1.000 ! spec=13C_...nD2O, no=669, id=739, vol=1.046804e+08
assign (segid "   C" and resid   65 and name HG21) (segid "   C" and resid   65 and name   HA) 3.012 1.134 1.134 weight 1.000 ! spec=13C_...nD2O, no=673, id=741, vol=1.019454e+08
    or (segid "   C" and resid   65 and name HG23) (segid "   C" and resid   65 and name   HA)
    or (segid "   C" and resid   65 and name HG22) (segid "   C" and resid   65 and name   HA)
assign (segid "   C" and resid   65 and name   HB) (segid "   C" and resid   65 and name HG12) 2.805 0.984 0.984 weight 1.000 ! spec=13C_...nD2O, no=674, id=742, vol=9.501056e+07
    or (segid "   C" and resid   65 and name   HB) (segid "   C" and resid   65 and name HG13)
    or (segid "   C" and resid   65 and name   HB) (segid "   C" and resid   65 and name HG11)
assign (segid "   C" and resid   51 and name HD11) (segid "   C" and resid   51 and name  HB2) 2.229 0.621 0.621 weight 1.000 ! spec=13C_...nD2O, no=679, id=743, vol=4.000343e+08
    or (segid "   C" and resid   51 and name HD13) (segid "   C" and resid   51 and name  HB2)
    or (segid "   C" and resid   51 and name HD12) (segid "   C" and resid   51 and name  HB2)
assign (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   51 and name HD22) 2.817 0.992 0.992 weight 1.000 ! spec=13C_...nD2O, no=683, id=744, vol=1.517230e+08
    or (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   51 and name HD21)
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   33 and name   HA) 2.026 0.513 0.513 weight 1.000 ! spec=13C_...nD2O, no=686, id=745, vol=5.867589e+08
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   33 and name   HA)
assign (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   54 and name  HB2) 3.978 1.978 1.978 weight 1.000 ! spec=13C_...nD2O, no=691, id=746, vol=2.483758e+07
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   15 and name  HB1) 2.978 1.108 1.108 weight 1.000 ! spec=13C_...nD2O, no=692, id=747, vol=8.688112e+07
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   23 and name  HB2) 2.291 0.656 0.656 weight 1.000 ! spec=13C_...nD2O, no=695, id=748, vol=4.483231e+08
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid    9 and name   HG) 3.340 1.395 1.395 weight 1.000 ! spec=13C_...nD2O, no=698, id=750, vol=5.542448e+07
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   41 and name  HD2) 4.141 2.144 2.144 weight 1.000 ! spec=13C_...nD2O, no=702, id=751, vol=5.208830e+07
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   41 and name  HD2)
assign (segid "   C" and resid   13 and name  HB1) (segid "   C" and resid   13 and name   HA) 2.078 0.540 0.540 weight 1.000 ! spec=13C_...nD2O, no=704, id=752, vol=5.920161e+08
    or (segid "   C" and resid   13 and name  HB3) (segid "   C" and resid   13 and name   HA)
    or (segid "   C" and resid   13 and name  HB2) (segid "   C" and resid   13 and name   HA)
assign (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   16 and name  HA1) 4.168 2.172 2.172 weight 1.000 ! spec=13C_...nD2O, no=713, id=754, vol=2.789613e+07
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   16 and name  HA1)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   16 and name  HA1)
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   17 and name   HB) 3.911 1.912 1.912 weight 1.000 ! spec=13C_...nD2O, no=715, id=755, vol=3.532860e+07
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   24 and name   HB) 2.877 1.035 1.035 weight 1.000 ! spec=13C_...nD2O, no=734, id=760, vol=7.924109e+07
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   24 and name   HB)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   24 and name   HB)
assign (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   32 and name   HA) 2.009 0.504 0.504 weight 1.000 ! spec=13C_...nD2O, no=769, id=767, vol=7.537799e+08
    or (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   32 and name   HA)
    or (segid "   C" and resid   32 and name  HB3) (segid "   C" and resid   32 and name   HA)
assign (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   27 and name  HB1) 2.661 0.885 0.885 weight 1.000 ! spec=13C_...nD2O, no=771, id=768, vol=1.203021e+08
    or (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   27 and name  HB1)
    or (segid "   C" and resid   32 and name  HB3) (segid "   C" and resid   27 and name  HB1)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   41 and name  HD1) 4.640 2.691 2.691 weight 1.000 ! spec=13C_...nD2O, no=777, id=772, vol=3.673272e+07
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   41 and name  HD1)
assign (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name  HG1) 2.235 0.624 0.624 weight 1.000 ! spec=13C_...nD2O, no=791, id=775, vol=1.790843e+08
assign (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   54 and name  HD2) 2.897 1.049 1.049 weight 1.000 ! spec=13C_...nD2O, no=793, id=776, vol=8.996164e+07
assign (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   54 and name  HD1) 2.884 1.040 1.040 weight 1.000 ! spec=13C_...nD2O, no=794, id=777, vol=9.547133e+07
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   57 and name   HA) 4.702 2.763 2.763 weight 1.000 ! spec=13C_...nD2O, no=799, id=778, vol=2.188861e+07
assign (segid "   C" and resid   22 and name HG23) (segid "   C" and resid   23 and name  HB1) 2.438 0.743 0.743 weight 1.000 ! spec=13C_...nD2O, no=804, id=779, vol=2.600579e+08
    or (segid "   C" and resid   22 and name HG21) (segid "   C" and resid   23 and name  HB1)
    or (segid "   C" and resid   22 and name HG22) (segid "   C" and resid   23 and name  HB1)
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   56 and name  HB2) 4.116 2.117 2.117 weight 1.000 ! spec=13C_...nD2O, no=808, id=780, vol=2.622474e+07
assign (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   47 and name  HB1) 2.180 0.594 0.594 weight 1.000 ! spec=13C_...nD2O, no=809, id=781, vol=5.241615e+08
assign (segid "   C" and resid   25 and name   HA) (segid "   C" and resid   25 and name  HB2) 2.843 1.010 1.010 weight 1.000 ! spec=13C_...nD2O, no=811, id=782, vol=9.628637e+07
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name  HB2) 3.164 1.251 1.251 weight 1.000 ! spec=13C_...nD2O, no=813, id=784, vol=7.934822e+07
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name  HB1) 3.047 1.161 1.161 weight 1.000 ! spec=13C_...nD2O, no=814, id=785, vol=5.636453e+07
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   17 and name   HB) 1.932 0.467 0.467 weight 1.000 ! spec=13C_...nD2O, no=832, id=790, vol=6.533618e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   17 and name   HB)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   17 and name   HA) 2.221 0.617 0.617 weight 1.000 ! spec=13C_...nD2O, no=835, id=792, vol=5.343146e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   17 and name HG23) 2.604 0.848 0.848 weight 1.000 ! spec=13C_...nD2O, no=837, id=794, vol=1.906632e+08
    or (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   39 and name  HD2) (segid "   C" and resid   17 and name HG21)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name HG22) 2.828 1.000 1.000 weight 1.000 ! spec=13c_...O_lp, no=8, id=1012, vol=2.501560e+08
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   28 and name HG23) 2.829 1.001 1.001 weight 1.000 ! spec=13c_...O_lp, no=12, id=1013, vol=1.439921e+08
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   28 and name HG22)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name HG23) 2.356 0.694 0.694 weight 1.000 ! spec=13c_...O_lp, no=13, id=1014, vol=5.479371e+08
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name HG22)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD11) 2.962 1.097 1.097 weight 1.000 ! spec=13c_...O_lp, no=14, id=1015, vol=1.316244e+08
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD12)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   36 and name  HB2) 2.575 0.829 0.829 weight 1.000 ! spec=13c_...O_lp, no=16, id=1016, vol=4.635091e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name  HB2) 2.506 0.785 0.785 weight 1.000 ! spec=13c_...O_lp, no=23, id=1018, vol=6.701125e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name  HB1) 2.369 0.702 0.702 weight 1.000 ! spec=13c_...O_lp, no=26, id=1020, vol=5.495230e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB1) 3.521 1.549 1.549 weight 1.000 ! spec=13c_...O_lp, no=31, id=1021, vol=2.884493e+08
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HB2) 3.896 1.897 1.897 weight 1.000 ! spec=13c_...O_lp, no=33, id=1022, vol=2.161633e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB2) 3.650 1.665 1.665 weight 1.000 ! spec=13c_...O_lp, no=47, id=1027, vol=2.235664e+08
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name  HB1) 2.699 0.910 0.910 weight 1.000 ! spec=13c_...O_lp, no=51, id=1029, vol=1.983954e+08
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name   HA) 2.301 0.662 0.662 weight 1.000 ! spec=13c_...O_lp, no=72, id=1034, vol=6.667442e+08
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=13c_...O_lp, no=92, id=1035, vol=6.535044e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name   HA) 2.333 0.681 0.681 weight 1.000 ! spec=13c_...O_lp, no=93, id=1036, vol=5.512925e+08
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name   HA) 2.623 0.860 0.860 weight 1.000 ! spec=13c_...O_lp, no=104, id=1037, vol=3.643126e+08
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name   HA) 2.156 0.581 0.581 weight 1.000 ! spec=13c_...O_lp, no=106, id=1038, vol=1.077852e+09
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name   HA) 2.267 0.642 0.642 weight 1.000 ! spec=13c_...O_lp, no=109, id=1039, vol=8.600248e+08
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name   HA) 2.228 0.621 0.621 weight 1.000 ! spec=13c_...O_lp, no=112, id=1040, vol=8.813331e+08
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name   HA) 2.254 0.635 0.635 weight 1.000 ! spec=13c_...O_lp, no=115, id=1041, vol=9.298054e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name   HA) 2.089 0.545 0.545 weight 1.000 ! spec=13c_...O_lp, no=121, id=1043, vol=1.024180e+09
assign (segid "   C" and resid   66 and name   HN) (segid "   C" and resid   65 and name   HA) 2.499 0.780 0.780 weight 1.000 ! spec=13c_...O_lp, no=130, id=1044, vol=5.157242e+08
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB3) 2.580 0.832 0.832 weight 1.000 ! spec=13c_...O_lp, no=149, id=1048, vol=2.945037e+08
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB2)
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB1)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB1) 3.263 1.331 1.331 weight 1.000 ! spec=13c_...O_lp, no=152, id=1049, vol=2.529659e+08
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=13c_...O_lp, no=161, id=1052, vol=3.294790e+08
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   54 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=13c_...O_lp, no=164, id=1053, vol=1.369263e+08
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=13c_...O_lp, no=165, id=1054, vol=3.208181e+08
assign (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   57 and name   HA) 2.537 0.805 0.805 weight 1.000 ! spec=13c_...O_lp, no=169, id=1055, vol=6.587516e+08
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   56 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=13c_...O_lp, no=171, id=1056, vol=4.537352e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name   HA) 2.677 0.895 0.895 weight 1.000 ! spec=13c_...O_lp, no=179, id=1057, vol=3.904633e+08
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HA) 3.141 1.233 1.233 weight 1.000 ! spec=13c_...O_lp, no=180, id=1058, vol=1.764794e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name   HB) 3.388 1.435 1.435 weight 1.000 ! spec=13c_...O_lp, no=181, id=1059, vol=1.652316e+08
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name  HB1) 2.423 0.734 0.734 weight 1.000 ! spec=13c_...O_lp, no=184, id=1061, vol=6.961212e+08
assign (segid "   C" and resid   39 and name  HB2) (segid "   C" and resid   40 and name   HA) 3.907 1.908 1.908 weight 1.000 ! spec=2Dnoesy, no=4, id=841, vol=9.635700e+06
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   41 and name  HD1) 4.691 2.750 2.750 weight 1.000 ! spec=2Dnoesy, no=10, id=844, vol=7.967437e+06
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   41 and name  HD1)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   40 and name  HD2) 3.287 1.350 1.350 weight 1.000 ! spec=2Dnoesy, no=11, id=845, vol=6.383660e+07
    or (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   40 and name  HD1)
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   40 and name  HD2)
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   40 and name  HD2) 4.292 2.303 2.303 weight 1.000 ! spec=2Dnoesy, no=12, id=846, vol=1.053344e+07
    or (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   40 and name  HD2) 3.411 1.454 1.454 weight 1.000 ! spec=2Dnoesy, no=14, id=847, vol=1.119661e+07
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   40 and name  HD1)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   40 and name  HD2)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   36 and name  HE3) 4.545 2.583 2.583 weight 1.000 ! spec=2Dnoesy, no=20, id=849, vol=7.386802e+06
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   36 and name  HE3)
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   35 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=2Dnoesy, no=21, id=850, vol=5.785949e+07
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   40 and name  HD2) 5.129 3.288 3.288 weight 1.000 ! spec=2Dnoesy, no=27, id=852, vol=6.054051e+06
    or (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   40 and name  HD1)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   40 and name  HD2)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   40 and name  HD2) 4.679 2.736 2.736 weight 1.000 ! spec=2Dnoesy, no=28, id=853, vol=8.198579e+06
    or (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   36 and name  HE3) (segid "   C" and resid   40 and name  HD2) 4.484 2.513 2.513 weight 1.000 ! spec=2Dnoesy, no=29, id=854, vol=6.933271e+06
    or (segid "   C" and resid   36 and name  HE3) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   40 and name  HB2) 4.663 2.717 2.717 weight 1.000 ! spec=2Dnoesy, no=37, id=859, vol=6.182263e+06
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   40 and name  HB2)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   40 and name  HB1) 4.104 2.106 2.106 weight 1.000 ! spec=2Dnoesy, no=38, id=860, vol=1.425762e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   40 and name  HB1)
assign (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   36 and name  HD1) 4.322 2.335 2.335 weight 1.000 ! spec=2Dnoesy, no=43, id=864, vol=8.901892e+06
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   37 and name  HG2) 3.168 1.255 1.255 weight 1.000 ! spec=2Dnoesy, no=46, id=867, vol=2.493790e+07
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   37 and name  HG1) 3.560 1.584 1.584 weight 1.000 ! spec=2Dnoesy, no=48, id=868, vol=1.793559e+07
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   37 and name  HB1) 4.520 2.554 2.554 weight 1.000 ! spec=2Dnoesy, no=49, id=869, vol=1.523849e+07
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   36 and name  HB2) 2.304 0.664 0.664 weight 1.000 ! spec=2Dnoesy, no=50, id=870, vol=1.104936e+08
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   53 and name  HB2) 4.349 2.364 2.364 weight 1.000 ! spec=2Dnoesy, no=68, id=884, vol=9.813789e+06
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   53 and name  HB2)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   32 and name  HB1) 3.539 1.565 1.565 weight 1.000 ! spec=2Dnoesy, no=71, id=886, vol=1.303119e+07
    or (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   32 and name  HB3)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   32 and name  HB1)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   34 and name  HE2) 3.493 1.525 1.525 weight 1.000 ! spec=2Dnoesy, no=76, id=888, vol=1.905256e+07
    or (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   34 and name  HE1)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   39 and name  HB1) 3.652 1.667 1.667 weight 1.000 ! spec=2Dnoesy, no=78, id=890, vol=1.726542e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   39 and name  HB1)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   53 and name  HB2) 3.913 1.914 1.914 weight 1.000 ! spec=2Dnoesy, no=79, id=891, vol=8.768838e+06
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   53 and name  HB2)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   32 and name  HB1) 3.884 1.885 1.885 weight 1.000 ! spec=2Dnoesy, no=80, id=892, vol=9.792595e+06
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   32 and name  HB3)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   32 and name  HB1)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   36 and name  HE3) 2.992 1.119 1.119 weight 1.000 ! spec=2Dnoesy, no=83, id=893, vol=5.701377e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   36 and name  HE3)
assign (segid "   C" and resid   36 and name  HE3) (segid "   C" and resid   36 and name  HZ3) 2.658 0.883 0.883 weight 1.000 ! spec=2Dnoesy, no=86, id=895, vol=6.483669e+07
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   34 and name  HD1) 2.869 1.029 1.029 weight 1.000 ! spec=2Dnoesy, no=88, id=897, vol=1.242705e+08
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   34 and name  HD2)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   34 and name  HD1)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   34 and name  HD2)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   34 and name  HE2) 3.519 1.548 1.548 weight 1.000 ! spec=2Dnoesy, no=90, id=899, vol=2.919237e+07
    or (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   34 and name  HE1)
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   34 and name  HE2)
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   34 and name  HE1)
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   36 and name  HZ2) 2.427 0.737 0.737 weight 1.000 ! spec=2Dnoesy, no=91, id=900, vol=1.130627e+08
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   36 and name  HZ3) 3.949 1.949 1.949 weight 1.000 ! spec=2Dnoesy, no=94, id=903, vol=2.493657e+07
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   51 and name   HA) 4.588 2.631 2.631 weight 1.000 ! spec=2Dnoesy, no=97, id=906, vol=7.553420e+06
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   46 and name   HA) 4.353 2.369 2.369 weight 1.000 ! spec=2Dnoesy, no=99, id=908, vol=1.070667e+07
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   47 and name  HD2) 3.670 1.684 1.684 weight 1.000 ! spec=2Dnoesy, no=101, id=910, vol=7.431120e+06
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   47 and name  HD1) 4.565 2.605 2.605 weight 1.000 ! spec=2Dnoesy, no=103, id=912, vol=6.929764e+06
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   44 and name HG22) 3.813 1.818 1.818 weight 1.000 ! spec=2Dnoesy, no=105, id=914, vol=1.484059e+07
    or (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   51 and name HD11) 4.633 2.683 2.683 weight 1.000 ! spec=2Dnoesy, no=106, id=915, vol=6.689619e+06
    or (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   36 and name  HZ2) (segid "   C" and resid   51 and name HD12)
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   51 and name HD11) 4.528 2.563 2.563 weight 1.000 ! spec=2Dnoesy, no=107, id=916, vol=8.922321e+06
    or (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   51 and name HD12)
assign (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   39 and name  HB2) 4.364 2.381 2.381 weight 1.000 ! spec=2Dnoesy, no=111, id=918, vol=1.436123e+07
assign (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   32 and name  HB1) 3.298 1.360 1.360 weight 1.000 ! spec=2Dnoesy, no=113, id=920, vol=1.486206e+07
    or (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   39 and name  HE1) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   35 and name  HE1) 4.445 2.470 2.470 weight 1.000 ! spec=2Dnoesy, no=116, id=923, vol=7.430001e+06
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   35 and name  HB2) 3.303 1.364 1.364 weight 1.000 ! spec=2Dnoesy, no=118, id=924, vol=2.113231e+07
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name   HA) 2.401 0.721 0.721 weight 1.000 ! spec=2Dnoesy, no=119, id=925, vol=6.854174e+07
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   35 and name  HB1) 3.185 1.268 1.268 weight 1.000 ! spec=2Dnoesy, no=120, id=926, vol=4.236687e+07
assign (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   35 and name  HD2) 3.707 1.718 2.293 weight 1.000 ! spec=2Dnoesy, no=123, id=929, vol=1.853489e+07
assign (segid "   C" and resid   23 and name  HB1) (segid "   C" and resid   35 and name  HD2) 3.604 1.623 2.396 weight 1.000 ! spec=2Dnoesy, no=125, id=931, vol=2.005657e+07
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   39 and name  HB1) 4.123 2.125 2.125 weight 1.000 ! spec=2dnoesy_H2O, no=9, id=945, vol=1.262720e+05
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=2dnoesy_H2O, no=11, id=946, vol=3.165230e+05
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG22) 2.804 0.983 0.983 weight 1.000 ! spec=2dnoesy_H2O, no=12, id=947, vol=1.983470e+05
    or (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG13) 4.193 2.198 2.198 weight 1.000 ! spec=2dnoesy_H2O, no=13, id=948, vol=6.466000e+04
    or (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   35 and name  HE1) 2.625 0.861 0.861 weight 1.000 ! spec=2dnoesy_H2O, no=15, id=950, vol=3.947530e+05
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   35 and name  HD2) 2.455 0.753 0.753 weight 1.000 ! spec=2dnoesy_H2O, no=16, id=951, vol=5.734090e+05
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   24 and name   HA) 3.485 1.518 1.518 weight 1.000 ! spec=2dnoesy_H2O, no=25, id=952, vol=7.694900e+04
assign (segid "   C" and resid   35 and name  HE2) (segid "   C" and resid   20 and name  HB2) 4.602 2.647 2.647 weight 1.000 ! spec=2dnoesy_H2O, no=26, id=953, vol=5.383500e+04
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HB) 3.859 1.862 1.862 weight 1.000 ! spec=2dnoesy_H2O, no=43, id=963, vol=7.774000e+04
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name  HD1) 4.392 2.411 2.411 weight 1.000 ! spec=2dnoesy_H2O, no=54, id=972, vol=8.590400e+04
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   36 and name  HZ3) 3.726 1.736 1.736 weight 1.000 ! spec=2dnoesy_H2O, no=57, id=975, vol=4.572200e+04
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   25 and name   HN) 3.421 1.463 1.463 weight 1.000 ! spec=2dnoesy_H2O, no=62, id=977, vol=1.054570e+05
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   22 and name   HN) 4.477 2.505 2.505 weight 1.000 ! spec=2dnoesy_H2O, no=63, id=978, vol=4.155800e+04
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   36 and name   HN) 4.416 2.437 2.437 weight 1.000 ! spec=2dnoesy_H2O, no=64, id=979, vol=9.473400e+04
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HN) 3.847 1.850 1.850 weight 1.000 ! spec=2dnoesy_H2O, no=66, id=981, vol=7.920900e+04
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   34 and name   HN) 3.178 1.262 1.262 weight 1.000 ! spec=2dnoesy_H2O, no=67, id=982, vol=2.599660e+05
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   34 and name   HN)
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   36 and name  HE1) 4.399 2.419 2.419 weight 1.000 ! spec=2dnoesy_H2O, no=69, id=983, vol=7.417600e+04
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   33 and name   HA) 3.729 1.738 1.738 weight 1.000 ! spec=2dnoesy_H2O, no=72, id=985, vol=1.573010e+05
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   33 and name   HA)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   40 and name  HB2) 2.795 0.976 0.976 weight 1.000 ! spec=2dnoesy_H2O, no=75, id=987, vol=5.171240e+05
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   40 and name  HB2)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   39 and name  HB1) 3.730 1.740 1.740 weight 1.000 ! spec=2dnoesy_H2O, no=76, id=988, vol=1.324820e+05
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   39 and name  HB1)
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG22) 2.909 1.058 1.058 weight 1.000 ! spec=2dnoesy_H2O, no=77, id=989, vol=1.511080e+05
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG13) 3.764 1.771 1.771 weight 1.000 ! spec=2dnoesy_H2O, no=78, id=990, vol=1.031260e+05
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG22) 3.578 1.600 1.600 weight 1.000 ! spec=2dnoesy_H2O, no=79, id=991, vol=8.124000e+04
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG13) 3.703 1.714 1.714 weight 1.000 ! spec=2dnoesy_H2O, no=80, id=992, vol=8.379400e+04
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG22) 3.030 1.147 1.147 weight 1.000 ! spec=2dnoesy_H2O, no=83, id=994, vol=1.219290e+05
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   24 and name HG22) 3.374 1.423 1.423 weight 1.000 ! spec=2dnoesy_H2O, no=84, id=995, vol=1.897000e+05
    or (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG13) 3.907 1.908 1.908 weight 1.000 ! spec=2dnoesy_H2O, no=86, id=996, vol=5.305300e+04
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG22) 3.147 1.238 1.238 weight 1.000 ! spec=2dnoesy_H2O, no=87, id=997, vol=1.734180e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG13) 2.456 0.754 0.754 weight 1.000 ! spec=2dnoesy_H2O, no=88, id=998, vol=4.249100e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG13) 4.006 2.006 2.006 weight 1.000 ! spec=2dnoesy_H2O, no=89, id=999, vol=1.367780e+05
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG12)
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG11)
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG22) 2.988 1.116 1.116 weight 1.000 ! spec=2dnoesy_H2O, no=90, id=1000, vol=2.488380e+05
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   24 and name HG22) 4.992 3.115 3.115 weight 1.000 ! spec=2dnoesy_H2O, no=91, id=1001, vol=2.741400e+04
    or (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   34 and name  HD1) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   34 and name  HD2) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   54 and name   HN) 4.275 2.284 2.284 weight 1.000 ! spec=2dnoesy_H2O, no=95, id=1004, vol=5.463300e+04
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   23 and name   HN) 2.288 0.654 0.654 weight 1.000 ! spec=2dnoesy_H2O, no=97, id=1005, vol=7.902640e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name HG23) 2.917 1.064 1.064 weight 1.000 ! spec=2dnoesy_H2O, no=98, id=1006, vol=2.521420e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name HG21)
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name HG22)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=2dnoesy_H2O, no=99, id=1007, vol=8.198990e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name  HA1) 2.717 0.923 0.923 weight 1.000 ! spec=N_noesy, no=8, id=1, vol=3.005737e+08
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name   HA) 2.645 0.874 0.874 weight 1.000 ! spec=N_noesy, no=9, id=2, vol=2.573964e+08
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    3 and name   HA) 2.668 0.890 0.890 weight 1.000 ! spec=N_noesy, no=10, id=3, vol=2.332335e+08
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name   HA) 3.053 1.165 1.165 weight 1.000 ! spec=N_noesy, no=12, id=5, vol=1.153067e+08
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=N_noesy, no=16, id=9, vol=4.297493e+08
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name   HN) 2.536 0.804 0.804 weight 1.000 ! spec=N_noesy, no=20, id=12, vol=2.518946e+08
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name   HA) 2.520 0.794 0.794 weight 1.000 ! spec=N_noesy, no=23, id=13, vol=2.716744e+08
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=N_noesy, no=29, id=17, vol=1.900873e+08
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name  HB1) 2.195 0.602 0.602 weight 1.000 ! spec=N_noesy, no=31, id=18, vol=6.089324e+08
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name   HA) 2.183 0.596 0.596 weight 1.000 ! spec=N_noesy, no=34, id=21, vol=7.920663e+08
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name   HA) 2.603 0.847 0.847 weight 1.000 ! spec=N_noesy, no=35, id=22, vol=2.656656e+08
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HB1) 2.354 0.693 0.693 weight 1.000 ! spec=N_noesy, no=39, id=24, vol=4.768193e+08
    or (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HB3)
    or (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HB2)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name   HA) 2.536 0.804 0.804 weight 1.000 ! spec=N_noesy, no=47, id=26, vol=3.196201e+08
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name  HB1) 4.294 2.305 2.305 weight 1.000 ! spec=N_noesy, no=52, id=27, vol=3.681756e+07
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   10 and name  HB1) 3.352 1.404 1.404 weight 1.000 ! spec=N_noesy, no=54, id=28, vol=2.881973e+07
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   10 and name  HB3)
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   10 and name  HB2)
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HB1) 2.237 0.626 0.626 weight 1.000 ! spec=N_noesy, no=57, id=31, vol=6.014098e+08
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HB3)
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HB2)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name   HA) 2.344 0.687 0.687 weight 1.000 ! spec=N_noesy, no=64, id=32, vol=5.430711e+08
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name   HB) 2.228 0.620 0.620 weight 1.000 ! spec=N_noesy, no=81, id=36, vol=5.425911e+08
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG23) 2.309 0.666 0.666 weight 1.000 ! spec=N_noesy, no=82, id=37, vol=6.113819e+08
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG21)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name   HN) 2.360 0.696 0.696 weight 1.000 ! spec=N_noesy, no=83, id=38, vol=4.461282e+08
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   39 and name  HD2) 4.164 2.167 2.167 weight 1.000 ! spec=N_noesy, no=86, id=39, vol=3.105959e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   15 and name  HB1) 3.770 1.777 1.777 weight 1.000 ! spec=N_noesy, no=87, id=40, vol=4.565804e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name  HB2) 4.140 2.143 2.143 weight 1.000 ! spec=N_noesy, no=89, id=41, vol=9.439666e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name   HA) 3.189 1.271 1.271 weight 1.000 ! spec=N_noesy, no=90, id=42, vol=1.013541e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HB) 2.244 0.630 0.630 weight 1.000 ! spec=N_noesy, no=92, id=43, vol=4.915355e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HA) 3.206 1.285 1.285 weight 1.000 ! spec=N_noesy, no=93, id=44, vol=1.156452e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB2) 2.990 1.117 1.117 weight 1.000 ! spec=N_noesy, no=94, id=45, vol=2.172964e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB1) 3.076 1.182 1.182 weight 1.000 ! spec=N_noesy, no=96, id=46, vol=1.298738e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name   HN) 2.301 0.662 0.662 weight 1.000 ! spec=N_noesy, no=99, id=48, vol=3.842233e+08
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HA1) 2.187 0.598 0.598 weight 1.000 ! spec=N_noesy, no=103, id=50, vol=5.521662e+08
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HA2) 2.768 0.958 0.958 weight 1.000 ! spec=N_noesy, no=104, id=51, vol=3.293723e+08
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name   HA) 3.838 1.842 1.842 weight 1.000 ! spec=N_noesy, no=105, id=52, vol=5.454465e+07
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   15 and name  HB1) 2.854 1.018 1.018 weight 1.000 ! spec=N_noesy, no=107, id=54, vol=1.092066e+08
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   20 and name   HN) 2.474 0.765 0.765 weight 1.000 ! spec=N_noesy, no=108, id=55, vol=2.652433e+08
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HB) 4.139 2.141 2.141 weight 1.000 ! spec=N_noesy, no=109, id=56, vol=8.181690e+07
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name   HA) 2.786 0.970 0.970 weight 1.000 ! spec=N_noesy, no=111, id=57, vol=2.033098e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HA1) 3.202 1.282 1.282 weight 1.000 ! spec=N_noesy, no=114, id=60, vol=1.210196e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HA2) 3.455 1.492 1.492 weight 1.000 ! spec=N_noesy, no=115, id=61, vol=1.065829e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   15 and name  HB1) 2.816 0.991 0.991 weight 1.000 ! spec=N_noesy, no=116, id=62, vol=1.719275e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HB2) 2.321 0.673 0.673 weight 1.000 ! spec=N_noesy, no=117, id=63, vol=4.385608e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HB1) 3.029 1.147 1.147 weight 1.000 ! spec=N_noesy, no=118, id=64, vol=3.227409e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   15 and name  HB2) 4.532 2.568 2.568 weight 1.000 ! spec=N_noesy, no=119, id=65, vol=5.925767e+07
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   24 and name HG22) 4.563 2.602 2.602 weight 1.000 ! spec=N_noesy, no=121, id=66, vol=2.367656e+07
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HA2) 2.987 1.115 1.115 weight 1.000 ! spec=N_noesy, no=123, id=67, vol=2.172949e+08
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HB1) 3.605 1.624 1.624 weight 1.000 ! spec=N_noesy, no=125, id=69, vol=5.282141e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HB2) 3.871 1.873 1.873 weight 1.000 ! spec=N_noesy, no=126, id=70, vol=1.055232e+08
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   14 and name  HG2) 3.421 1.463 1.463 weight 1.000 ! spec=N_noesy, no=127, id=71, vol=1.114003e+08
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   24 and name HG22) 4.260 2.268 2.268 weight 1.000 ! spec=N_noesy, no=128, id=72, vol=5.426303e+07
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name   HA) 2.555 0.816 0.816 weight 1.000 ! spec=N_noesy, no=131, id=73, vol=3.493332e+08
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name  HA1) 3.079 1.185 1.185 weight 1.000 ! spec=N_noesy, no=132, id=74, vol=1.849062e+08
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   20 and name  HB1) 3.857 1.859 1.859 weight 1.000 ! spec=N_noesy, no=133, id=75, vol=2.545969e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   20 and name  HB2) 4.807 2.888 2.888 weight 1.000 ! spec=N_noesy, no=134, id=76, vol=2.219388e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name   HB) 2.456 0.754 0.754 weight 1.000 ! spec=N_noesy, no=135, id=77, vol=4.083789e+08
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name HG23) 3.075 1.182 1.182 weight 1.000 ! spec=N_noesy, no=140, id=78, vol=1.181852e+08
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name HG21)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name HG22)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   24 and name   HN) 3.035 1.152 1.152 weight 1.000 ! spec=N_noesy, no=145, id=80, vol=1.506783e+08
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB1) 3.337 1.392 1.392 weight 1.000 ! spec=N_noesy, no=147, id=82, vol=9.583107e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB2) 4.048 2.049 2.049 weight 1.000 ! spec=N_noesy, no=148, id=83, vol=7.681902e+07
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=N_noesy, no=152, id=84, vol=6.856958e+07
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=N_noesy, no=155, id=85, vol=1.190882e+08
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name   HB) 3.494 1.526 1.526 weight 1.000 ! spec=N_noesy, no=159, id=87, vol=4.595159e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HA) 3.185 1.268 1.268 weight 1.000 ! spec=N_noesy, no=162, id=90, vol=8.155249e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   34 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=N_noesy, no=163, id=91, vol=1.292188e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   35 and name  HB2) 4.404 2.424 2.424 weight 1.000 ! spec=N_noesy, no=167, id=93, vol=3.882731e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HG) 2.418 0.731 0.731 weight 1.000 ! spec=N_noesy, no=168, id=94, vol=3.803068e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=N_noesy, no=169, id=95, vol=1.731219e+08
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=N_noesy, no=172, id=98, vol=1.350581e+08
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name   HA) 2.300 0.661 0.661 weight 1.000 ! spec=N_noesy, no=173, id=99, vol=5.613304e+08
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name  HB1) 3.084 1.189 1.189 weight 1.000 ! spec=N_noesy, no=175, id=101, vol=3.909794e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name   HA) 3.059 1.170 1.170 weight 1.000 ! spec=N_noesy, no=184, id=103, vol=1.330915e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB1) 3.135 1.228 1.228 weight 1.000 ! spec=N_noesy, no=189, id=107, vol=1.356516e+08
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   34 and name  HE2) 3.660 1.674 1.674 weight 1.000 ! spec=N_noesy, no=191, id=108, vol=7.673758e+07
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   34 and name  HE1)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name   HA) 2.094 0.548 0.548 weight 1.000 ! spec=N_noesy, no=196, id=109, vol=9.365889e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   52 and name   HA) 2.865 1.026 1.026 weight 1.000 ! spec=N_noesy, no=197, id=110, vol=1.630539e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB2) 4.032 2.032 2.032 weight 1.000 ! spec=N_noesy, no=200, id=111, vol=4.589749e+07
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   29 and name   HN) 2.521 0.794 0.794 weight 1.000 ! spec=N_noesy, no=206, id=113, vol=2.821986e+08
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   51 and name HD22) 4.269 2.278 2.278 weight 1.000 ! spec=N_noesy, no=209, id=114, vol=4.616975e+07
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   51 and name HD21)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name   HA) 3.045 1.159 1.159 weight 1.000 ! spec=N_noesy, no=212, id=115, vol=1.364943e+08
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB2) 2.402 0.721 0.721 weight 1.000 ! spec=N_noesy, no=215, id=117, vol=3.339445e+08
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB1) 3.233 1.306 1.306 weight 1.000 ! spec=N_noesy, no=216, id=118, vol=3.771428e+08
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   52 and name   HA) 3.482 1.515 1.515 weight 1.000 ! spec=N_noesy, no=221, id=119, vol=5.719670e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HD2) 2.979 1.109 1.109 weight 1.000 ! spec=N_noesy, no=222, id=120, vol=1.134568e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HB1) 3.138 1.231 1.231 weight 1.000 ! spec=N_noesy, no=228, id=121, vol=2.654759e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=N_noesy, no=229, id=122, vol=3.962885e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB1) 2.791 0.974 0.974 weight 1.000 ! spec=N_noesy, no=231, id=123, vol=1.901763e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   27 and name  HB2) 2.687 0.903 0.903 weight 1.000 ! spec=N_noesy, no=232, id=124, vol=1.794630e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name HG23) 4.054 2.055 2.055 weight 1.000 ! spec=N_noesy, no=233, id=125, vol=9.002534e+07
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name HG22)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HN) 2.632 0.866 3.368 weight 1.000 ! spec=N_noesy, no=235, id=126, vol=5.733515e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HN) 2.273 0.646 0.646 weight 1.000 ! spec=N_noesy, no=238, id=127, vol=5.348076e+08
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   27 and name  HB2) 2.965 1.099 1.099 weight 1.000 ! spec=N_noesy, no=240, id=129, vol=1.476976e+08
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name  HB2) 2.724 0.928 0.928 weight 1.000 ! spec=N_noesy, no=241, id=130, vol=1.952485e+08
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name  HB1)
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name  HB3)
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   27 and name  HB1) 3.943 1.944 1.944 weight 1.000 ! spec=N_noesy, no=242, id=131, vol=6.783035e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name  HB1) 5.352 3.581 3.581 weight 1.000 ! spec=N_noesy, no=244, id=132, vol=3.188777e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name   HA) 3.838 1.841 1.841 weight 1.000 ! spec=N_noesy, no=247, id=133, vol=4.248320e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name   HN) 3.481 1.514 1.514 weight 1.000 ! spec=N_noesy, no=253, id=135, vol=1.288828e+08
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   31 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=N_noesy, no=255, id=136, vol=2.098885e+08
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   27 and name  HB2) 2.875 1.033 1.033 weight 1.000 ! spec=N_noesy, no=256, id=137, vol=2.033714e+08
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   27 and name  HB1) 3.466 1.502 1.502 weight 1.000 ! spec=N_noesy, no=259, id=139, vol=8.433748e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB1) 2.495 0.778 0.778 weight 1.000 ! spec=N_noesy, no=260, id=140, vol=3.758306e+08
    or (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name   HA) 3.320 1.378 1.378 weight 1.000 ! spec=N_noesy, no=264, id=141, vol=5.916105e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name   HA) 3.016 1.137 1.137 weight 1.000 ! spec=N_noesy, no=273, id=145, vol=1.004483e+08
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HD1) 3.262 1.330 1.330 weight 1.000 ! spec=N_noesy, no=275, id=147, vol=1.532164e+08
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HD2)
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name  HB3) 3.469 1.504 1.504 weight 1.000 ! spec=N_noesy, no=280, id=151, vol=1.426475e+08
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name  HB2)
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name  HB1)
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HB2) 3.002 1.127 1.127 weight 1.000 ! spec=N_noesy, no=281, id=152, vol=1.574946e+08
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HB1) 3.548 1.573 1.573 weight 1.000 ! spec=N_noesy, no=284, id=153, vol=5.592865e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   24 and name   HA) 4.316 2.328 2.328 weight 1.000 ! spec=N_noesy, no=286, id=155, vol=2.943734e+07
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HB1) 3.689 1.701 1.701 weight 1.000 ! spec=N_noesy, no=295, id=156, vol=3.874456e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   25 and name  HB1) 2.734 0.934 0.934 weight 1.000 ! spec=N_noesy, no=298, id=157, vol=1.994637e+08
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   25 and name   HG) 3.234 1.307 1.307 weight 1.000 ! spec=N_noesy, no=299, id=158, vol=8.241264e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name   HA) 2.754 0.948 0.948 weight 1.000 ! spec=N_noesy, no=302, id=160, vol=2.150246e+08
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=N_noesy, no=303, id=161, vol=3.665911e+08
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   37 and name   HN) 2.699 0.910 0.910 weight 1.000 ! spec=N_noesy, no=306, id=162, vol=1.873800e+08
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name   HA) 2.527 0.798 0.798 weight 1.000 ! spec=N_noesy, no=309, id=163, vol=3.799235e+08
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   35 and name   HA) 3.899 1.901 1.901 weight 1.000 ! spec=N_noesy, no=310, id=164, vol=5.146800e+07
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   35 and name  HB2) 2.950 1.088 1.088 weight 1.000 ! spec=N_noesy, no=311, id=165, vol=1.107570e+08
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   38 and name   HN) 2.477 0.767 0.767 weight 1.000 ! spec=N_noesy, no=316, id=167, vol=3.052213e+08
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   39 and name   HN) 3.766 1.773 1.773 weight 1.000 ! spec=N_noesy, no=317, id=168, vol=6.563750e+07
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   38 and name   HA) 3.100 1.201 1.201 weight 1.000 ! spec=N_noesy, no=327, id=169, vol=1.154714e+08
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   35 and name  HB2) 3.005 1.128 1.128 weight 1.000 ! spec=N_noesy, no=328, id=170, vol=1.711345e+08
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   39 and name  HB2) 5.547 3.846 3.846 weight 1.000 ! spec=N_noesy, no=333, id=171, vol=3.131097e+07
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   35 and name   HN) 4.257 2.265 2.265 weight 1.000 ! spec=N_noesy, no=338, id=174, vol=3.293818e+07
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   40 and name   HN) 4.079 2.079 2.079 weight 1.000 ! spec=N_noesy, no=339, id=175, vol=5.962231e+07
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HB2) 3.142 1.234 1.234 weight 1.000 ! spec=N_noesy, no=343, id=178, vol=4.572028e+08
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   38 and name  HB1) 2.672 0.893 0.893 weight 1.000 ! spec=N_noesy, no=344, id=179, vol=2.271996e+08
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HB1) 2.554 0.816 0.816 weight 1.000 ! spec=N_noesy, no=349, id=181, vol=2.188595e+08
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   39 and name   HN) 2.238 0.626 0.626 weight 1.000 ! spec=N_noesy, no=352, id=182, vol=5.524500e+08
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HD2) 2.801 0.981 0.981 weight 1.000 ! spec=N_noesy, no=353, id=183, vol=1.990074e+08
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   37 and name   HA) 2.707 0.916 0.916 weight 1.000 ! spec=N_noesy, no=356, id=186, vol=2.438214e+08
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name   HN) 2.214 0.613 0.613 weight 1.000 ! spec=N_noesy, no=358, id=187, vol=6.794564e+08
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HE2) 3.573 1.596 1.596 weight 1.000 ! spec=N_noesy, no=359, id=188, vol=1.349053e+08
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HE1)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HD2) 3.301 1.362 1.362 weight 1.000 ! spec=N_noesy, no=360, id=189, vol=1.916358e+08
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HB1) 2.602 0.846 0.846 weight 1.000 ! spec=N_noesy, no=361, id=190, vol=3.262559e+08
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HB2) 3.104 1.204 1.204 weight 1.000 ! spec=N_noesy, no=363, id=191, vol=3.448734e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   33 and name   HA) 3.968 1.968 1.968 weight 1.000 ! spec=N_noesy, no=364, id=192, vol=4.903418e+07
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   36 and name  HD1) 2.262 0.640 0.640 weight 1.000 ! spec=N_noesy, no=365, id=193, vol=8.013431e+08
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   36 and name  HZ2) 2.522 0.795 0.795 weight 1.000 ! spec=N_noesy, no=366, id=194, vol=3.934162e+08
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name   HA) 2.320 0.673 3.680 weight 1.000 ! spec=N_noesy, no=370, id=196, vol=6.866947e+08
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB3) 2.215 0.613 0.613 weight 1.000 ! spec=N_noesy, no=371, id=197, vol=6.800729e+08
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB1)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB2)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HB1) 2.983 1.112 3.017 weight 1.000 ! spec=N_noesy, no=373, id=199, vol=1.373724e+08
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   45 and name   HA) 2.498 0.780 3.502 weight 1.000 ! spec=N_noesy, no=384, id=201, vol=4.758714e+08
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HA1) 3.106 1.206 1.206 weight 1.000 ! spec=N_noesy, no=386, id=202, vol=2.304368e+08
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG22) 3.387 1.434 1.434 weight 1.000 ! spec=N_noesy, no=390, id=203, vol=1.815797e+08
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   42 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=N_noesy, no=396, id=204, vol=2.078323e+08
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   36 and name  HE1) 4.067 2.067 2.067 weight 1.000 ! spec=N_noesy, no=397, id=205, vol=3.222981e+07
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name   HA) 2.243 0.629 0.629 weight 1.000 ! spec=N_noesy, no=401, id=206, vol=6.817724e+08
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name HG22) 2.937 1.078 1.078 weight 1.000 ! spec=N_noesy, no=402, id=207, vol=1.175111e+08
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name   HN) 3.695 1.707 1.707 weight 1.000 ! spec=N_noesy, no=403, id=208, vol=1.027133e+08
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name   HA) 2.638 0.870 0.870 weight 1.000 ! spec=N_noesy, no=408, id=210, vol=2.464612e+08
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name   HA) 2.022 0.511 0.511 weight 1.000 ! spec=N_noesy, no=409, id=211, vol=1.107330e+09
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=N_noesy, no=413, id=214, vol=2.432693e+08
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB1) 2.308 0.666 0.666 weight 1.000 ! spec=N_noesy, no=414, id=215, vol=5.140116e+08
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   49 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=N_noesy, no=424, id=216, vol=1.556600e+08
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=N_noesy, no=426, id=218, vol=3.662366e+08
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name   HA) 2.460 0.757 0.757 weight 1.000 ! spec=N_noesy, no=431, id=219, vol=3.480920e+08
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name HD22) 3.604 1.623 1.623 weight 1.000 ! spec=N_noesy, no=438, id=222, vol=1.189084e+08
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name HD21)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   52 and name   HA) 2.874 1.032 1.032 weight 1.000 ! spec=N_noesy, no=441, id=223, vol=1.583577e+08
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name   HA) 2.066 0.533 0.533 weight 1.000 ! spec=N_noesy, no=442, id=224, vol=8.473241e+08
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD22) 3.812 1.817 1.817 weight 1.000 ! spec=N_noesy, no=444, id=226, vol=6.598575e+07
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name HD21)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name   HA) 2.848 1.014 1.014 weight 1.000 ! spec=N_noesy, no=454, id=229, vol=1.670057e+08
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   27 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=N_noesy, no=456, id=231, vol=7.161137e+07
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name  HB1) 2.980 1.110 1.110 weight 1.000 ! spec=N_noesy, no=457, id=232, vol=3.648223e+08
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name  HB2) 2.573 0.827 0.827 weight 1.000 ! spec=N_noesy, no=458, id=233, vol=2.305701e+08
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name   HA) 2.654 0.881 0.881 weight 1.000 ! spec=N_noesy, no=465, id=238, vol=2.193038e+08
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name  HB1) 2.327 0.677 0.677 weight 1.000 ! spec=N_noesy, no=466, id=239, vol=3.108419e+08
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name  HB2) 3.807 1.812 1.812 weight 1.000 ! spec=N_noesy, no=467, id=240, vol=1.848645e+08
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   39 and name  HB2) 3.849 1.852 1.852 weight 1.000 ! spec=N_noesy, no=468, id=241, vol=9.176276e+07
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   56 and name  HB2) 2.740 0.938 0.938 weight 1.000 ! spec=N_noesy, no=481, id=248, vol=2.200527e+08
assign (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   52 and name   HA) 4.512 2.545 2.545 weight 1.000 ! spec=N_noesy, no=501, id=251, vol=3.462337e+07
assign (segid "   C" and resid   58 and name   HN) (segid "   C" and resid   57 and name   HA) 3.025 1.144 1.144 weight 1.000 ! spec=N_noesy, no=504, id=253, vol=1.539565e+08
assign (segid "   C" and resid   59 and name   HN) (segid "   C" and resid   59 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=N_noesy, no=506, id=254, vol=1.999931e+08
assign (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name   HA) 2.759 0.951 0.951 weight 1.000 ! spec=N_noesy, no=516, id=257, vol=2.296623e+08
assign (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   59 and name   HA) 2.437 0.742 0.742 weight 1.000 ! spec=N_noesy, no=517, id=258, vol=4.654087e+08
assign (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name   HB) 2.665 0.887 0.887 weight 1.000 ! spec=N_noesy, no=518, id=259, vol=2.603979e+08
assign (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   59 and name  HB2) 3.455 1.492 1.492 weight 1.000 ! spec=N_noesy, no=519, id=260, vol=1.316047e+08
assign (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   61 and name   HA) 2.814 0.990 0.990 weight 1.000 ! spec=N_noesy, no=525, id=262, vol=1.826796e+08
assign (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name   HA) 2.143 0.574 0.574 weight 1.000 ! spec=N_noesy, no=526, id=263, vol=8.918801e+08
assign (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name   HB) 3.358 1.410 1.410 weight 1.000 ! spec=N_noesy, no=527, id=264, vol=1.198396e+08
assign (segid "   C" and resid   63 and name   HN) (segid "   C" and resid   62 and name   HA) 2.176 0.592 0.592 weight 1.000 ! spec=N_noesy, no=544, id=266, vol=8.719887e+08
assign (segid "   C" and resid   63 and name   HN) (segid "   C" and resid   62 and name  HB2) 3.531 1.558 1.558 weight 1.000 ! spec=N_noesy, no=546, id=267, vol=1.155850e+08
assign (segid "   C" and resid   63 and name   HN) (segid "   C" and resid   63 and name  HB1) 2.592 0.840 0.840 weight 1.000 ! spec=N_noesy, no=547, id=268, vol=2.777725e+08
    or (segid "   C" and resid   63 and name   HN) (segid "   C" and resid   63 and name  HB3)
    or (segid "   C" and resid   63 and name   HN) (segid "   C" and resid   63 and name  HB2)
assign (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   65 and name   HA) 3.154 1.243 1.243 weight 1.000 ! spec=N_noesy, no=554, id=269, vol=1.014819e+08
assign (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   64 and name   HA) 2.280 0.650 0.650 weight 1.000 ! spec=N_noesy, no=555, id=270, vol=6.352283e+08
assign (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   64 and name  HD2) 4.926 3.033 3.033 weight 1.000 ! spec=N_noesy, no=556, id=271, vol=2.378899e+07
assign (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   65 and name   HB) 2.902 1.053 1.053 weight 1.000 ! spec=N_noesy, no=558, id=272, vol=1.591326e+08
assign (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   65 and name HG21) 3.033 1.150 1.150 weight 1.000 ! spec=N_noesy, no=560, id=273, vol=1.185482e+08
    or (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   65 and name HG23)
    or (segid "   C" and resid   65 and name   HN) (segid "   C" and resid   65 and name HG22)
assign (segid "   C" and resid   66 and name   HN) (segid "   C" and resid   66 and name   HA) 2.510 0.787 0.787 weight 1.000 ! spec=N_noesy, no=566, id=274, vol=4.797844e+08
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name   HA) 2.719 0.924 0.924 weight 1.000 ! spec=N_noesy, no=588, id=277, vol=1.767186e+08
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB1) 2.972 1.104 1.104 weight 1.000 ! spec=N_noesy, no=589, id=278, vol=1.167216e+08
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB2) 3.086 1.190 1.190 weight 1.000 ! spec=N_noesy, no=591, id=279, vol=8.878531e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HA1) 2.396 0.718 0.718 weight 1.000 ! spec=N_noesy, no=606, id=285, vol=3.820726e+08
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   14 and name   HA) 4.001 2.001 2.001 weight 1.000 ! spec=N_noesy, no=607, id=286, vol=6.340540e+07
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HN) 4.376 2.393 2.393 weight 1.000 ! spec=N_noesy, no=608, id=287, vol=3.809092e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name HG23) 3.379 1.427 1.427 weight 1.000 ! spec=N_noesy, no=609, id=288, vol=1.690510e+08
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name HG22)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   39 and name  HE1) 3.052 1.164 1.164 weight 1.000 ! spec=N_noesy, no=617, id=290, vol=1.136527e+08
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   54 and name   HN) 2.982 1.111 1.111 weight 1.000 ! spec=N_noesy, no=619, id=291, vol=1.087056e+08
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   35 and name  HE2) 3.130 1.224 1.224 weight 1.000 ! spec=N_noesy, no=682, id=297, vol=1.140761e+08
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   54 and name   HN) 5.108 3.262 3.262 weight 1.000 ! spec=N_noesy, no=685, id=298, vol=2.062716e+07
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   36 and name   HN) 4.750 2.821 2.821 weight 1.000 ! spec=N_noesy, no=687, id=299, vol=1.434167e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD22) 4.733 2.800 2.800 weight 1.000 ! spec=N_noesy, no=691, id=300, vol=4.175040e+07
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   40 and name  HD2) 4.557 2.596 2.596 weight 1.000 ! spec=N_noesy, no=868, id=306, vol=3.414120e+07
    or (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   40 and name  HD1)
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   45 and name   HA) 2.931 1.074 1.074 weight 1.000 ! spec=N_noesy, no=872, id=307, vol=2.154293e+08
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   46 and name   HA) 3.354 1.406 1.406 weight 1.000 ! spec=N_noesy, no=873, id=308, vol=6.483737e+07
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   40 and name  HB2) 3.690 1.702 1.702 weight 1.000 ! spec=N_noesy, no=876, id=311, vol=9.667990e+07
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   46 and name  HB2) 3.292 1.355 1.355 weight 1.000 ! spec=N_noesy, no=877, id=312, vol=1.090097e+08
assign (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   59 and name  HB2) 4.676 2.733 2.733 weight 1.000 ! spec=N_noesy, no=895, id=313, vol=2.040289e+07
assign (segid "   C" and resid    8 and name HD22) (segid "   C" and resid    8 and name HD21) 1.570 0.308 0.308 weight 1.000 ! spec=N_noesy, no=903, id=315, vol=2.945904e+09
assign (segid "   C" and resid   54 and name   HE) (segid "   C" and resid   54 and name  HD1) 3.540 1.566 1.566 weight 1.000 ! spec=N_noesy, no=929, id=320, vol=4.637346e+07
assign (segid "   C" and resid   54 and name   HE) (segid "   C" and resid   54 and name  HD2) 3.520 1.548 1.548 weight 1.000 ! spec=N_noesy, no=930, id=321, vol=4.694709e+07
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name   HE) 4.940 3.050 3.050 weight 1.000 ! spec=N_noesy, no=934, id=324, vol=3.829845e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG21) 2.856 1.020 1.020 weight 1.000 ! spec=N_noesy, no=950, id=325, vol=1.720469e+08
    or (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG22)
    or (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=N_noesy, no=953, id=326, vol=2.714757e+08
assign (segid "   C" and resid   64 and name  HG2) (segid "   C" and resid   64 and name  HD2) 2.004 0.502 0.502 weight 1.000 ! spec=13C_...nD2O, no=6, id=329, vol=9.228475e+08
    or (segid "   C" and resid   41 and name  HG2) (segid "   C" and resid   41 and name  HD2)
    or (segid "   C" and resid   64 and name  HG1) (segid "   C" and resid   64 and name  HD2)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   39 and name  HE1) 4.075 2.076 2.076 weight 1.000 ! spec=13C_...nD2O, no=35, id=809, vol=2.919824e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   39 and name  HE1)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   39 and name  HE1)
assign (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   39 and name  HE1) 3.340 1.395 1.395 weight 1.000 ! spec=13C_...nD2O, no=38, id=811, vol=3.857115e+07
    or (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   39 and name  HE1)
assign (segid "   C" and resid   25 and name  HB1) (segid "   C" and resid   34 and name  HD1) 3.898 1.900 1.900 weight 1.000 ! spec=13C_...nD2O, no=43, id=816, vol=3.047891e+07
    or (segid "   C" and resid   25 and name  HB1) (segid "   C" and resid   34 and name  HD2)
    or (segid "   C" and resid   51 and name HD11) (segid "   C" and resid   34 and name  HD1)
    or (segid "   C" and resid   51 and name HD11) (segid "   C" and resid   34 and name  HD2)
    or (segid "   C" and resid   51 and name HD13) (segid "   C" and resid   34 and name  HD1)
    or (segid "   C" and resid   51 and name HD13) (segid "   C" and resid   34 and name  HD2)
    or (segid "   C" and resid   51 and name HD12) (segid "   C" and resid   34 and name  HD1)
    or (segid "   C" and resid   51 and name HD12) (segid "   C" and resid   34 and name  HD2)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name  HB2) 3.436 1.476 1.476 weight 1.000 ! spec=13C_...nD2O, no=49, id=819, vol=6.973845e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name  HB2)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name  HB2)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name   HG)
assign (segid "   C" and resid   62 and name  HG1) (segid "   C" and resid   62 and name  HD2) 2.433 0.740 0.740 weight 1.000 ! spec=13C_...nD2O, no=50, id=366, vol=3.045134e+08
    or (segid "   C" and resid   62 and name  HG2) (segid "   C" and resid   62 and name  HD2)
assign (segid "   C" and resid   25 and name  HB2) (segid "   C" and resid   34 and name  HE2) 4.134 2.137 2.137 weight 1.000 ! spec=13C_...nD2O, no=52, id=820, vol=2.033842e+07
    or (segid "   C" and resid   25 and name  HB2) (segid "   C" and resid   34 and name  HE1)
    or (segid "   C" and resid   25 and name  HB2) (segid "   C" and resid   34 and name   HZ)
assign (segid "   C" and resid   11 and name  HG2) (segid "   C" and resid   11 and name  HD1) 2.140 0.573 0.573 weight 1.000 ! spec=13C_...nD2O, no=56, id=367, vol=6.779234e+08
    or (segid "   C" and resid   11 and name  HG1) (segid "   C" and resid   11 and name  HD1)
    or (segid "   C" and resid   64 and name  HG1) (segid "   C" and resid   64 and name  HD1)
assign (segid "   C" and resid   63 and name  HB1) (segid "   C" and resid   64 and name  HD2) 2.754 0.948 0.948 weight 1.000 ! spec=13C_...nD2O, no=57, id=368, vol=2.723373e+08
    or (segid "   C" and resid   63 and name  HB3) (segid "   C" and resid   64 and name  HD2)
    or (segid "   C" and resid   63 and name  HB2) (segid "   C" and resid   64 and name  HD2)
    or (segid "   C" and resid   10 and name  HB1) (segid "   C" and resid   11 and name  HD2)
    or (segid "   C" and resid   10 and name  HB3) (segid "   C" and resid   11 and name  HD2)
    or (segid "   C" and resid   10 and name  HB2) (segid "   C" and resid   11 and name  HD2)
assign (segid "   C" and resid   10 and name  HB1) (segid "   C" and resid   11 and name  HD1) 3.319 1.377 1.377 weight 1.000 ! spec=13C_...nD2O, no=58, id=369, vol=1.371799e+08
    or (segid "   C" and resid   10 and name  HB3) (segid "   C" and resid   11 and name  HD1)
    or (segid "   C" and resid   10 and name  HB2) (segid "   C" and resid   11 and name  HD1)
    or (segid "   C" and resid   63 and name  HB1) (segid "   C" and resid   64 and name  HD1)
    or (segid "   C" and resid   63 and name  HB3) (segid "   C" and resid   64 and name  HD1)
    or (segid "   C" and resid   63 and name  HB2) (segid "   C" and resid   64 and name  HD1)
assign (segid "   C" and resid    6 and name  HB2) (segid "   C" and resid    6 and name   HA) 2.260 0.638 0.638 weight 1.000 ! spec=13C_...nD2O, no=63, id=370, vol=5.696288e+08
    or (segid "   C" and resid    7 and name  HB2) (segid "   C" and resid    7 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HB1) 2.839 1.008 1.008 weight 1.000 ! spec=13C_...nD2O, no=68, id=372, vol=1.403831e+08
    or (segid "   C" and resid    7 and name  HB2) (segid "   C" and resid    7 and name   HA)
    or (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    7 and name  HB1)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HG2) 2.876 1.034 1.034 weight 1.000 ! spec=13C_...nD2O, no=71, id=373, vol=1.464250e+08
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HG1)
assign (segid "   C" and resid    8 and name  HB1) (segid "   C" and resid    8 and name   HA) 2.495 0.778 0.778 weight 1.000 ! spec=13C_...nD2O, no=72, id=374, vol=3.140094e+08
    or (segid "   C" and resid    8 and name  HB2) (segid "   C" and resid    8 and name   HA)
assign (segid "   C" and resid   44 and name HG22) (segid "   C" and resid   40 and name   HZ) 3.971 1.971 1.971 weight 1.000 ! spec=13C_...nD2O, no=74, id=833, vol=2.194394e+07
    or (segid "   C" and resid   44 and name HG21) (segid "   C" and resid   40 and name   HZ)
    or (segid "   C" and resid   44 and name HG23) (segid "   C" and resid   40 and name   HZ)
    or (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   54 and name  HB2)
assign (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   41 and name  HD2) 4.792 2.870 2.870 weight 1.000 ! spec=13C_...nD2O, no=82, id=837, vol=2.211357e+07
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   41 and name  HD2)
    or (segid "   C" and resid   40 and name  HD2) (segid "   C" and resid   41 and name  HD1)
    or (segid "   C" and resid   40 and name  HD1) (segid "   C" and resid   41 and name  HD1)
assign (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   47 and name  HG1) 3.914 1.915 1.915 weight 1.000 ! spec=13C_...nD2O, no=83, id=838, vol=2.188446e+07
    or (segid "   C" and resid   36 and name  HH2) (segid "   C" and resid   47 and name  HG2)
assign (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid    9 and name HD13) 2.407 0.724 0.724 weight 1.000 ! spec=13C_...nD2O, no=84, id=384, vol=2.713127e+08
    or (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid    9 and name HD12)
    or (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid    9 and name HD11)
    or (segid "   C" and resid    9 and name   HG) (segid "   C" and resid    9 and name HD13)
    or (segid "   C" and resid    9 and name   HG) (segid "   C" and resid    9 and name HD12)
    or (segid "   C" and resid    9 and name   HG) (segid "   C" and resid    9 and name HD11)
assign (segid "   C" and resid   11 and name  HD1) (segid "   C" and resid   10 and name   HA) 1.937 0.469 0.469 weight 1.000 ! spec=13C_...nD2O, no=87, id=386, vol=9.667233e+08
    or (segid "   C" and resid   64 and name  HD1) (segid "   C" and resid   63 and name   HA)
assign (segid "   C" and resid   11 and name  HG2) (segid "   C" and resid   10 and name   HA) 4.357 2.373 2.373 weight 1.000 ! spec=13C_...nD2O, no=89, id=387, vol=7.540477e+07
    or (segid "   C" and resid   11 and name  HG1) (segid "   C" and resid   10 and name   HA)
assign (segid "   C" and resid   11 and name  HG1) (segid "   C" and resid   11 and name   HA) 2.579 0.831 0.831 weight 1.000 ! spec=13C_...nD2O, no=93, id=389, vol=2.679429e+08
    or (segid "   C" and resid   11 and name  HB2) (segid "   C" and resid   11 and name   HA)
assign (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HB1) 2.672 0.892 0.892 weight 1.000 ! spec=13C_...nD2O, no=96, id=390, vol=1.880569e+08
    or (segid "   C" and resid   62 and name   HA) (segid "   C" and resid   62 and name  HB2)
    or (segid "   C" and resid   11 and name  HB2) (segid "   C" and resid   11 and name   HA)
assign (segid "   C" and resid   14 and name  HD2) (segid "   C" and resid   14 and name   HA) 4.200 2.205 2.205 weight 1.000 ! spec=13C_...nD2O, no=103, id=393, vol=6.108037e+07
    or (segid "   C" and resid   14 and name  HD1) (segid "   C" and resid   14 and name   HA)
assign (segid "   C" and resid   14 and name  HB1) (segid "   C" and resid   14 and name   HA) 2.324 0.675 0.675 weight 1.000 ! spec=13C_...nD2O, no=105, id=394, vol=3.811721e+08
    or (segid "   C" and resid   14 and name  HG2) (segid "   C" and resid   14 and name   HA)
    or (segid "   C" and resid   14 and name  HB2) (segid "   C" and resid   14 and name   HA)
assign (segid "   C" and resid   14 and name  HD2) (segid "   C" and resid   14 and name  HB1) 3.196 1.277 1.277 weight 1.000 ! spec=13C_...nD2O, no=113, id=399, vol=8.537812e+07
    or (segid "   C" and resid   14 and name  HD1) (segid "   C" and resid   14 and name  HB1)
assign (segid "   C" and resid   14 and name  HD2) (segid "   C" and resid   14 and name  HB2) 3.016 1.137 1.137 weight 1.000 ! spec=13C_...nD2O, no=114, id=400, vol=8.529139e+07
    or (segid "   C" and resid   14 and name  HD1) (segid "   C" and resid   14 and name  HB2)
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   26 and name  HD1) 3.476 1.511 1.511 weight 1.000 ! spec=13C_...nD2O, no=122, id=405, vol=6.528586e+07
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   26 and name  HD1)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   26 and name  HD1)
    or (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   26 and name  HD2)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   26 and name  HD2)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   26 and name  HD2)
assign (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   26 and name  HD1) 3.265 1.333 1.333 weight 1.000 ! spec=13C_...nD2O, no=123, id=406, vol=4.782767e+07
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   26 and name  HD1)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   26 and name  HD1)
    or (segid "   C" and resid   24 and name HG13) (segid "   C" and resid   26 and name  HD2)
    or (segid "   C" and resid   24 and name HG12) (segid "   C" and resid   26 and name  HD2)
    or (segid "   C" and resid   24 and name HG11) (segid "   C" and resid   26 and name  HD2)
assign (segid "   C" and resid   14 and name  HD1) (segid "   C" and resid   14 and name  HG2) 2.700 0.911 0.911 weight 1.000 ! spec=13C_...nD2O, no=126, id=407, vol=1.429460e+08
    or (segid "   C" and resid   14 and name  HD2) (segid "   C" and resid   14 and name  HG2)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   17 and name   HA) 2.026 0.513 0.513 weight 1.000 ! spec=13C_...nD2O, no=143, id=420, vol=9.433998e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   17 and name   HB) 1.938 0.470 0.470 weight 1.000 ! spec=13C_...nD2O, no=144, id=421, vol=6.333698e+08
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   17 and name   HB)
assign (segid "   C" and resid   14 and name  HB1) (segid "   C" and resid   21 and name  HA2) 3.241 1.313 1.313 weight 1.000 ! spec=13C_...nD2O, no=192, id=450, vol=6.698905e+07
    or (segid "   C" and resid   14 and name  HG2) (segid "   C" and resid   21 and name  HA2)
assign (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   24 and name HG22) 3.830 1.833 1.833 weight 1.000 ! spec=13C_...nD2O, no=228, id=474, vol=3.345252e+07
    or (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   24 and name HG21)
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   24 and name HG22)
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   24 and name HG23)
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   24 and name HG21)
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD23) 1.981 0.490 0.490 weight 1.000 ! spec=13C_...nD2O, no=243, id=484, vol=6.228289e+08
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD21)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD22)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD12)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name HD13)
assign (segid "   C" and resid   25 and name HD12) (segid "   C" and resid   25 and name   HA) 2.031 0.516 0.516 weight 1.000 ! spec=13C_...nD2O, no=244, id=485, vol=8.125250e+08
    or (segid "   C" and resid   25 and name HD11) (segid "   C" and resid   25 and name   HA)
    or (segid "   C" and resid   25 and name HD13) (segid "   C" and resid   25 and name   HA)
    or (segid "   C" and resid   25 and name HD23) (segid "   C" and resid   25 and name   HA)
    or (segid "   C" and resid   25 and name HD21) (segid "   C" and resid   25 and name   HA)
    or (segid "   C" and resid   25 and name HD22) (segid "   C" and resid   25 and name   HA)
assign (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   26 and name  HD2) 2.363 0.698 0.698 weight 1.000 ! spec=13C_...nD2O, no=250, id=490, vol=2.612496e+08
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   26 and name  HD1)
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   26 and name   HA) 2.349 0.690 0.690 weight 1.000 ! spec=13C_...nD2O, no=252, id=492, vol=3.615140e+08
    or (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   26 and name  HB1) 3.026 1.145 1.145 weight 1.000 ! spec=13C_...nD2O, no=253, id=493, vol=8.986573e+07
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   26 and name  HB1)
assign (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   26 and name  HB2) 3.514 1.544 1.544 weight 1.000 ! spec=13C_...nD2O, no=254, id=494, vol=8.391109e+07
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   26 and name  HB2)
assign (segid "   C" and resid   26 and name  HD1) (segid "   C" and resid   26 and name  HG2) 2.392 0.715 0.715 weight 1.000 ! spec=13C_...nD2O, no=259, id=499, vol=2.879110e+08
    or (segid "   C" and resid   26 and name  HD2) (segid "   C" and resid   26 and name  HG2)
assign (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   26 and name  HB2) 3.503 1.534 1.534 weight 1.000 ! spec=13C_...nD2O, no=269, id=505, vol=6.595402e+07
    or (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   26 and name  HB1)
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   26 and name  HD2) 2.427 0.736 0.736 weight 1.000 ! spec=13C_...nD2O, no=318, id=532, vol=2.593223e+08
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   26 and name  HD1)
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name  HB1) 2.346 0.688 0.688 weight 1.000 ! spec=13C_...nD2O, no=351, id=550, vol=3.946425e+08
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name  HB2)
assign (segid "   C" and resid   37 and name  HB1) (segid "   C" and resid   37 and name   HA) 2.287 0.654 0.654 weight 1.000 ! spec=13C_...nD2O, no=360, id=558, vol=5.038596e+08
    or (segid "   C" and resid   37 and name  HG2) (segid "   C" and resid   37 and name   HA)
    or (segid "   C" and resid   37 and name  HB2) (segid "   C" and resid   37 and name   HA)
assign (segid "   C" and resid   37 and name  HD1) (segid "   C" and resid   37 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=13C_...nD2O, no=362, id=559, vol=1.701408e+08
    or (segid "   C" and resid   37 and name  HD2) (segid "   C" and resid   37 and name  HB1)
assign (segid "   C" and resid   37 and name  HD2) (segid "   C" and resid   37 and name   HA) 3.364 1.414 1.414 weight 1.000 ! spec=13C_...nD2O, no=363, id=560, vol=2.077748e+08
    or (segid "   C" and resid   37 and name  HD1) (segid "   C" and resid   37 and name   HA)
assign (segid "   C" and resid   37 and name  HD1) (segid "   C" and resid   37 and name  HB1) 2.089 0.545 0.545 weight 1.000 ! spec=13C_...nD2O, no=365, id=561, vol=7.720827e+08
    or (segid "   C" and resid   37 and name  HG1) (segid "   C" and resid   37 and name  HD1)
    or (segid "   C" and resid   37 and name  HG1) (segid "   C" and resid   37 and name  HD2)
    or (segid "   C" and resid   37 and name  HG2) (segid "   C" and resid   37 and name  HD1)
    or (segid "   C" and resid   37 and name  HG2) (segid "   C" and resid   37 and name  HD2)
assign (segid "   C" and resid   37 and name  HG2) (segid "   C" and resid   37 and name  HD1) 2.601 0.846 0.846 weight 1.000 ! spec=13C_...nD2O, no=367, id=562, vol=1.901114e+08
    or (segid "   C" and resid   37 and name  HG2) (segid "   C" and resid   37 and name  HD2)
assign (segid "   C" and resid   37 and name  HG1) (segid "   C" and resid   37 and name  HD2) 2.446 0.748 0.748 weight 1.000 ! spec=13C_...nD2O, no=368, id=563, vol=2.817259e+08
    or (segid "   C" and resid   37 and name  HG1) (segid "   C" and resid   37 and name  HD1)
assign (segid "   C" and resid   56 and name   HA) (segid "   C" and resid   56 and name  HB2) 2.422 0.733 0.733 weight 1.000 ! spec=13C_...nD2O, no=384, id=574, vol=3.302524e+08
    or (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   38 and name   HA)
assign (segid "   C" and resid   55 and name  HB1) (segid "   C" and resid   56 and name  HB2) 3.978 1.978 1.978 weight 1.000 ! spec=13C_...nD2O, no=386, id=576, vol=1.333209e+08
    or (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   38 and name  HB2)
    or (segid "   C" and resid   55 and name  HB2) (segid "   C" and resid   56 and name  HB2)
assign (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   38 and name  HB2) 2.394 0.716 0.716 weight 1.000 ! spec=13C_...nD2O, no=392, id=582, vol=3.126193e+08
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   38 and name  HB2)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   38 and name  HB2)
    or (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   38 and name  HB2)
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   38 and name  HB2)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   38 and name  HB2)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   38 and name  HB1) 3.468 1.504 1.504 weight 1.000 ! spec=13C_...nD2O, no=393, id=583, vol=1.579783e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   38 and name  HB1)
assign (segid "   C" and resid   17 and name HG23) (segid "   C" and resid   39 and name   HA) 3.223 1.299 1.299 weight 1.000 ! spec=13C_...nD2O, no=395, id=585, vol=7.857889e+07
    or (segid "   C" and resid   17 and name HG22) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   17 and name HG21) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   41 and name  HD2) (segid "   C" and resid   41 and name  HB1) 3.405 1.449 1.449 weight 1.000 ! spec=13C_...nD2O, no=406, id=591, vol=7.048218e+07
    or (segid "   C" and resid   41 and name  HD1) (segid "   C" and resid   41 and name  HB1)
assign (segid "   C" and resid   41 and name  HB2) (segid "   C" and resid   41 and name  HD2) 3.152 1.242 1.242 weight 1.000 ! spec=13C_...nD2O, no=407, id=592, vol=1.700389e+08
    or (segid "   C" and resid   41 and name  HD1) (segid "   C" and resid   41 and name  HB2)
assign (segid "   C" and resid   41 and name  HG2) (segid "   C" and resid   41 and name  HD1) 2.394 0.716 0.716 weight 1.000 ! spec=13C_...nD2O, no=414, id=597, vol=3.370813e+08
    or (segid "   C" and resid   41 and name  HG1) (segid "   C" and resid   41 and name  HD1)
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name  HG1) 4.970 3.087 3.087 weight 1.000 ! spec=13C_...nD2O, no=418, id=600, vol=3.139425e+07
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name  HG2)
assign (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HG1) 3.314 1.373 1.373 weight 1.000 ! spec=13C_...nD2O, no=419, id=601, vol=1.745103e+08
    or (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HG2)
    or (segid "   C" and resid   41 and name  HG1) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   41 and name  HG2) (segid "   C" and resid   41 and name   HA)
assign (segid "   C" and resid   44 and name   HB) (segid "   C" and resid   44 and name HG22) 2.098 0.550 0.550 weight 1.000 ! spec=13C_...nD2O, no=423, id=604, vol=5.824170e+08
    or (segid "   C" and resid   44 and name   HB) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   44 and name   HB) (segid "   C" and resid   44 and name HG23)
    or (segid "   C" and resid   44 and name HG22) (segid "   C" and resid   44 and name   HA)
    or (segid "   C" and resid   44 and name HG21) (segid "   C" and resid   44 and name   HA)
    or (segid "   C" and resid   44 and name HG23) (segid "   C" and resid   44 and name   HA)
assign (segid "   C" and resid   45 and name  HB1) (segid "   C" and resid   45 and name   HA) 2.211 0.611 0.611 weight 1.000 ! spec=13C_...nD2O, no=428, id=608, vol=6.107397e+08
    or (segid "   C" and resid   45 and name  HB2) (segid "   C" and resid   45 and name   HA)
assign (segid "   C" and resid   47 and name  HG2) (segid "   C" and resid   46 and name   HA) 4.533 2.569 2.569 weight 1.000 ! spec=13C_...nD2O, no=437, id=613, vol=4.791316e+07
    or (segid "   C" and resid   47 and name  HG1) (segid "   C" and resid   46 and name   HA)
assign (segid "   C" and resid   46 and name  HD1) (segid "   C" and resid   46 and name  HB1) 2.874 1.033 1.033 weight 1.000 ! spec=13C_...nD2O, no=440, id=616, vol=1.185183e+08
    or (segid "   C" and resid   46 and name  HD2) (segid "   C" and resid   46 and name  HB1)
assign (segid "   C" and resid   46 and name  HB2) (segid "   C" and resid   46 and name  HD2) 2.909 1.058 1.058 weight 1.000 ! spec=13C_...nD2O, no=451, id=620, vol=1.096275e+08
    or (segid "   C" and resid   46 and name  HB2) (segid "   C" and resid   46 and name  HD1)
assign (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   46 and name  HG1) 3.014 1.135 1.135 weight 1.000 ! spec=13C_...nD2O, no=453, id=621, vol=8.409197e+07
    or (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   46 and name  HG2)
assign (segid "   C" and resid   46 and name  HD2) (segid "   C" and resid   46 and name  HG1) 2.630 0.865 0.865 weight 1.000 ! spec=13C_...nD2O, no=454, id=622, vol=1.660072e+08
    or (segid "   C" and resid   46 and name  HD2) (segid "   C" and resid   46 and name  HG2)
    or (segid "   C" and resid   46 and name  HD1) (segid "   C" and resid   46 and name  HG1)
    or (segid "   C" and resid   46 and name  HD1) (segid "   C" and resid   46 and name  HG2)
assign (segid "   C" and resid   47 and name  HG2) (segid "   C" and resid   47 and name  HD2) 2.201 0.605 0.605 weight 1.000 ! spec=13C_...nD2O, no=468, id=628, vol=4.780055e+08
    or (segid "   C" and resid   47 and name  HG1) (segid "   C" and resid   47 and name  HD2)
assign (segid "   C" and resid   47 and name  HG1) (segid "   C" and resid   47 and name  HD1) 2.197 0.604 0.604 weight 1.000 ! spec=13C_...nD2O, no=469, id=629, vol=4.403700e+08
    or (segid "   C" and resid   47 and name  HG2) (segid "   C" and resid   47 and name  HD1)
assign (segid "   C" and resid   46 and name  HG1) (segid "   C" and resid   47 and name  HD2) 3.725 1.734 1.734 weight 1.000 ! spec=13C_...nD2O, no=471, id=631, vol=1.175154e+08
    or (segid "   C" and resid   46 and name  HG2) (segid "   C" and resid   47 and name  HD2)
assign (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   47 and name  HG2) 3.202 1.282 1.282 weight 1.000 ! spec=13C_...nD2O, no=478, id=636, vol=1.443252e+08
    or (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   47 and name  HG1)
assign (segid "   C" and resid   50 and name  HA1) (segid "   C" and resid   28 and name HG23) 2.795 0.976 0.976 weight 1.000 ! spec=13C_...nD2O, no=499, id=640, vol=2.011207e+08
    or (segid "   C" and resid   50 and name  HA1) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   50 and name  HA1) (segid "   C" and resid   28 and name HG22)
    or (segid "   C" and resid   50 and name  HA2) (segid "   C" and resid   28 and name HG23)
    or (segid "   C" and resid   50 and name  HA2) (segid "   C" and resid   28 and name HG21)
    or (segid "   C" and resid   50 and name  HA2) (segid "   C" and resid   28 and name HG22)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name  HB2) 3.584 1.606 1.606 weight 1.000 ! spec=13C_...nD2O, no=513, id=645, vol=4.783241e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name  HB2)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name  HB2)
assign (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name  HB1) 4.237 2.244 2.244 weight 1.000 ! spec=13C_...nD2O, no=514, id=646, vol=4.497800e+07
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name  HB1)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name  HB1)
assign (segid "   C" and resid   51 and name HD11) (segid "   C" and resid   51 and name   HG) 2.770 0.959 0.959 weight 1.000 ! spec=13C_...nD2O, no=515, id=647, vol=8.611789e+07
    or (segid "   C" and resid   51 and name HD13) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   51 and name HD12) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   51 and name HD22) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   51 and name HD23) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   51 and name HD21) (segid "   C" and resid   51 and name   HG)
assign (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   52 and name   HA) 2.854 1.018 1.018 weight 1.000 ! spec=13C_...nD2O, no=525, id=654, vol=1.721000e+08
    or (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   27 and name   HA)
assign (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name   HA) 3.730 1.739 1.739 weight 1.000 ! spec=13C_...nD2O, no=526, id=655, vol=1.083331e+08
    or (segid "   C" and resid   52 and name  HD2) (segid "   C" and resid   52 and name   HA)
assign (segid "   C" and resid   52 and name  HB2) (segid "   C" and resid   52 and name   HA) 2.215 0.613 0.613 weight 1.000 ! spec=13C_...nD2O, no=528, id=656, vol=5.329426e+08
    or (segid "   C" and resid   52 and name  HB1) (segid "   C" and resid   52 and name   HA)
assign (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name  HB2) 2.679 0.897 0.897 weight 1.000 ! spec=13C_...nD2O, no=531, id=659, vol=1.694421e+08
    or (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name  HB1)
assign (segid "   C" and resid   56 and name  HB1) (segid "   C" and resid   52 and name  HB1) 3.315 1.374 1.374 weight 1.000 ! spec=13C_...nD2O, no=532, id=660, vol=7.502270e+07
    or (segid "   C" and resid   56 and name  HB1) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name  HB2) 2.349 0.690 0.690 weight 1.000 ! spec=13C_...nD2O, no=533, id=661, vol=3.512714e+08
    or (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name  HB1)
    or (segid "   C" and resid   56 and name  HB2) (segid "   C" and resid   52 and name  HB2)
    or (segid "   C" and resid   52 and name  HD2) (segid "   C" and resid   52 and name  HB1)
assign (segid "   C" and resid   57 and name  HB1) (segid "   C" and resid   52 and name  HB2) 3.175 1.260 1.260 weight 1.000 ! spec=13C_...nD2O, no=534, id=662, vol=6.911673e+07
    or (segid "   C" and resid   57 and name  HB1) (segid "   C" and resid   52 and name  HB1)
    or (segid "   C" and resid   57 and name  HB2) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HB2) 3.408 1.452 1.452 weight 1.000 ! spec=13C_...nD2O, no=535, id=663, vol=8.838616e+07
    or (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HB1)
    or (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   52 and name  HB1)
assign (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name  HB2) 2.056 0.528 0.528 weight 1.000 ! spec=13C_...nD2O, no=537, id=665, vol=7.685023e+08
    or (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD2)
    or (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD1)
    or (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name  HB1)
assign (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HD1) 2.809 0.987 0.987 weight 1.000 ! spec=13C_...nD2O, no=540, id=667, vol=1.580629e+08
    or (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HD2)
assign (segid "   C" and resid   52 and name  HD1) (segid "   C" and resid   52 and name  HG2) 2.602 0.846 0.846 weight 1.000 ! spec=13C_...nD2O, no=544, id=668, vol=2.193391e+08
    or (segid "   C" and resid   52 and name  HD2) (segid "   C" and resid   52 and name  HG2)
assign (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD2) 2.504 0.784 0.784 weight 1.000 ! spec=13C_...nD2O, no=545, id=669, vol=2.180990e+08
    or (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD1)
assign (segid "   C" and resid   54 and name  HB1) (segid "   C" and resid   54 and name   HA) 2.291 0.656 0.656 weight 1.000 ! spec=13C_...nD2O, no=573, id=685, vol=4.133101e+08
    or (segid "   C" and resid   54 and name  HB2) (segid "   C" and resid   54 and name   HA)
assign (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   54 and name  HD1) 2.346 0.688 0.688 weight 1.000 ! spec=13C_...nD2O, no=588, id=697, vol=3.843582e+08
    or (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HD1)
assign (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   54 and name  HD2) 2.315 0.670 0.670 weight 1.000 ! spec=13C_...nD2O, no=589, id=698, vol=3.088400e+08
    or (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HD2)
assign (segid "   C" and resid   55 and name  HB1) (segid "   C" and resid   55 and name   HA) 2.299 0.661 0.661 weight 1.000 ! spec=13C_...nD2O, no=598, id=702, vol=5.370499e+08
    or (segid "   C" and resid   55 and name  HB2) (segid "   C" and resid   55 and name   HA)
assign (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   55 and name   HA) 3.449 1.487 1.487 weight 1.000 ! spec=13C_...nD2O, no=599, id=703, vol=5.511352e+07
    or (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   55 and name   HA)
assign (segid "   C" and resid   55 and name  HB1) (segid "   C" and resid   56 and name  HB1) 4.437 2.461 2.461 weight 1.000 ! spec=13C_...nD2O, no=607, id=706, vol=4.289916e+07
    or (segid "   C" and resid   55 and name  HB2) (segid "   C" and resid   56 and name  HB1)
assign (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HD2) 2.738 0.937 0.937 weight 1.000 ! spec=13C_...nD2O, no=615, id=709, vol=1.967161e+08
    or (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HD1)
    or (segid "   C" and resid   56 and name  HB2) (segid "   C" and resid   57 and name   HA)
assign (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=13C_...nD2O, no=616, id=710, vol=2.194013e+08
    or (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   57 and name  HB1) 2.540 0.807 0.807 weight 1.000 ! spec=13C_...nD2O, no=617, id=711, vol=2.760421e+08
    or (segid "   C" and resid   57 and name   HA) (segid "   C" and resid   57 and name  HB2)
assign (segid "   C" and resid   57 and name  HB2) (segid "   C" and resid   52 and name  HB1) 2.968 1.101 1.101 weight 1.000 ! spec=13C_...nD2O, no=618, id=712, vol=1.095706e+08
    or (segid "   C" and resid   57 and name  HB1) (segid "   C" and resid   52 and name  HB1)
    or (segid "   C" and resid   57 and name  HB2) (segid "   C" and resid   52 and name  HB2)
    or (segid "   C" and resid   57 and name  HB1) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   57 and name  HB2) 3.900 1.901 1.901 weight 1.000 ! spec=13C_...nD2O, no=621, id=714, vol=7.767977e+07
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   57 and name  HB2)
    or (segid "   C" and resid   40 and name  HE2) (segid "   C" and resid   57 and name  HB1)
    or (segid "   C" and resid   40 and name  HE1) (segid "   C" and resid   57 and name  HB1)
assign (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   57 and name  HB2) 3.235 1.308 1.308 weight 1.000 ! spec=13C_...nD2O, no=622, id=715, vol=9.278282e+07
    or (segid "   C" and resid   40 and name   HZ) (segid "   C" and resid   57 and name  HB1)
assign (segid "   C" and resid   59 and name  HB2) (segid "   C" and resid   59 and name   HA) 2.406 0.724 0.724 weight 1.000 ! spec=13C_...nD2O, no=623, id=716, vol=4.265936e+08
    or (segid "   C" and resid   59 and name  HB1) (segid "   C" and resid   59 and name   HA)
assign (segid "   C" and resid   60 and name HG11) (segid "   C" and resid   60 and name   HB) 2.156 0.581 0.581 weight 1.000 ! spec=13C_...nD2O, no=631, id=719, vol=4.641503e+08
    or (segid "   C" and resid   60 and name HG13) (segid "   C" and resid   60 and name   HB)
    or (segid "   C" and resid   60 and name HG12) (segid "   C" and resid   60 and name   HB)
    or (segid "   C" and resid   60 and name HG23) (segid "   C" and resid   60 and name   HB)
    or (segid "   C" and resid   60 and name HG21) (segid "   C" and resid   60 and name   HB)
    or (segid "   C" and resid   60 and name HG22) (segid "   C" and resid   60 and name   HB)
assign (segid "   C" and resid   64 and name   HA) (segid "   C" and resid   64 and name  HB2) 2.232 0.623 0.623 weight 1.000 ! spec=13C_...nD2O, no=650, id=730, vol=5.420634e+08
    or (segid "   C" and resid   11 and name  HB1) (segid "   C" and resid   11 and name   HA)
    or (segid "   C" and resid   62 and name  HB1) (segid "   C" and resid   62 and name   HA)
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB1) 2.111 0.557 0.557 weight 1.000 ! spec=13C_...nD2O, no=658, id=732, vol=4.876107e+08
    or (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB3)
    or (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB2)
    or (segid "   C" and resid   63 and name  HB1) (segid "   C" and resid   63 and name   HA)
    or (segid "   C" and resid   63 and name  HB3) (segid "   C" and resid   63 and name   HA)
    or (segid "   C" and resid   63 and name  HB2) (segid "   C" and resid   63 and name   HA)
assign (segid "   C" and resid   11 and name  HB1) (segid "   C" and resid   11 and name  HB2) 1.607 0.323 0.323 weight 1.000 ! spec=13C_...nD2O, no=663, id=735, vol=1.807527e+09
    or (segid "   C" and resid   64 and name  HB2) (segid "   C" and resid   64 and name  HB1)
    or (segid "   C" and resid   62 and name  HB1) (segid "   C" and resid   62 and name  HB2)
assign (segid "   C" and resid   11 and name  HD2) (segid "   C" and resid   11 and name  HB1) 3.231 1.305 1.305 weight 1.000 ! spec=13C_...nD2O, no=664, id=736, vol=1.119877e+08
    or (segid "   C" and resid   64 and name  HD1) (segid "   C" and resid   64 and name  HB2)
    or (segid "   C" and resid   64 and name  HD2) (segid "   C" and resid   64 and name  HB2)
    or (segid "   C" and resid   62 and name  HD2) (segid "   C" and resid   62 and name  HB1)
    or (segid "   C" and resid   62 and name  HD1) (segid "   C" and resid   62 and name  HB1)
assign (segid "   C" and resid   62 and name  HD1) (segid "   C" and resid   62 and name  HB2) 3.153 1.242 1.242 weight 1.000 ! spec=13C_...nD2O, no=666, id=737, vol=1.412526e+08
    or (segid "   C" and resid   64 and name  HD2) (segid "   C" and resid   64 and name  HB1)
    or (segid "   C" and resid   11 and name  HD2) (segid "   C" and resid   11 and name  HB2)
assign (segid "   C" and resid   11 and name  HD1) (segid "   C" and resid   11 and name  HB1) 3.937 1.938 1.938 weight 1.000 ! spec=13C_...nD2O, no=668, id=738, vol=3.933854e+07
    or (segid "   C" and resid   64 and name  HD1) (segid "   C" and resid   64 and name  HB2)
assign (segid "   C" and resid   65 and name HG12) (segid "   C" and resid   65 and name   HA) 2.913 1.060 1.060 weight 1.000 ! spec=13C_...nD2O, no=670, id=740, vol=1.175399e+08
    or (segid "   C" and resid   65 and name HG13) (segid "   C" and resid   65 and name   HA)
    or (segid "   C" and resid   65 and name HG11) (segid "   C" and resid   65 and name   HA)
    or (segid "   C" and resid   65 and name HG21) (segid "   C" and resid   65 and name   HA)
    or (segid "   C" and resid   65 and name HG23) (segid "   C" and resid   65 and name   HA)
    or (segid "   C" and resid   65 and name HG22) (segid "   C" and resid   65 and name   HA)
assign (segid "   C" and resid    7 and name  HG1) (segid "   C" and resid    7 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=13C_...nD2O, no=696, id=749, vol=7.425690e+07
    or (segid "   C" and resid    7 and name  HG2) (segid "   C" and resid    7 and name   HA)
assign (segid "   C" and resid   19 and name  HA2) (segid "   C" and resid   14 and name  HD1) 4.092 2.093 2.093 weight 1.000 ! spec=13C_...nD2O, no=711, id=753, vol=5.049751e+07
    or (segid "   C" and resid   19 and name  HA2) (segid "   C" and resid   14 and name  HD2)
assign (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   50 and name  HA2) 3.664 1.678 1.678 weight 1.000 ! spec=13C_...nD2O, no=790, id=774, vol=2.859238e+07
    or (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   50 and name  HA1)
assign (segid "   C" and resid   49 and name HG21) (segid "   C" and resid   48 and name  HA2) 3.292 1.354 1.354 weight 1.000 ! spec=13C_...nD2O, no=819, id=787, vol=6.636912e+07
    or (segid "   C" and resid   49 and name HG22) (segid "   C" and resid   48 and name  HA2)
    or (segid "   C" and resid   49 and name HG23) (segid "   C" and resid   48 and name  HA2)
    or (segid "   C" and resid   49 and name HG21) (segid "   C" and resid   48 and name  HA1)
    or (segid "   C" and resid   49 and name HG22) (segid "   C" and resid   48 and name  HA1)
    or (segid "   C" and resid   49 and name HG23) (segid "   C" and resid   48 and name  HA1)
assign (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   34 and name   HA) 3.593 1.614 1.614 weight 1.000 ! spec=13C_...nD2O, no=820, id=788, vol=5.648835e+07
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   34 and name   HA)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   34 and name   HA)
    or (segid "   C" and resid   33 and name  HB3) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   18 and name  HB1) 3.636 1.653 1.653 weight 1.000 ! spec=13C_...nD2O, no=834, id=791, vol=1.355738e+08
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   18 and name  HB1)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   18 and name  HB1)
    or (segid "   C" and resid   17 and name HG13) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG12) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   17 and name HG11) (segid "   C" and resid   38 and name  HB1)
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB1) 2.467 0.761 0.761 weight 1.000 ! spec=13c_...O_lp, no=6, id=1010, vol=5.616015e+08
    or (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB3)
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB1)
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   32 and name  HB3)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HA1) 2.633 0.866 0.866 weight 1.000 ! spec=13c_...O_lp, no=70, id=1033, vol=4.547798e+08
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HA2)
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   55 and name  HB1) 2.581 0.833 0.833 weight 1.000 ! spec=13c_...O_lp, no=185, id=1062, vol=4.459845e+08
    or (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   55 and name  HB2)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   52 and name  HG2) 4.056 2.057 2.057 weight 1.000 ! spec=13c_...O_lp, no=186, id=1063, vol=1.414644e+08
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HG2)
assign (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   37 and name  HD2) 4.237 2.244 2.244 weight 1.000 ! spec=2Dnoesy, no=51, id=871, vol=1.419388e+07
    or (segid "   C" and resid   36 and name  HD1) (segid "   C" and resid   37 and name  HD1)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   27 and name   HA) 2.846 1.012 1.012 weight 1.000 ! spec=2Dnoesy, no=55, id=874, vol=5.680094e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   27 and name   HA)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD22) 3.309 1.369 1.369 weight 1.000 ! spec=2Dnoesy, no=58, id=877, vol=3.295923e+07
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD21)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD22)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD21)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD22)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD23)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD21)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD11) 2.660 0.885 0.885 weight 1.000 ! spec=2Dnoesy, no=59, id=878, vol=3.593011e+07
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name HD12)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD11)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name HD12)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD11)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD13)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name HD12)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name  HB1) 3.081 1.187 1.187 weight 1.000 ! spec=2Dnoesy, no=60, id=879, vol=3.488215e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name  HB1)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   25 and name  HB1)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD12) 3.948 1.949 1.949 weight 1.000 ! spec=2Dnoesy, no=63, id=880, vol=1.027824e+07
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD13)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD12)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD13)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD23)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD21)
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   25 and name HD22)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD23)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD21)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   25 and name HD22)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   25 and name HD12)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   25 and name HD13)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   51 and name   HG) 3.361 1.412 1.412 weight 1.000 ! spec=2Dnoesy, no=77, id=889, vol=2.958226e+07
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   51 and name   HG)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   51 and name   HG)
assign (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   34 and name  HE2) 3.408 1.452 1.452 weight 1.000 ! spec=2Dnoesy, no=93, id=902, vol=2.773594e+07
    or (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   34 and name  HE1)
    or (segid "   C" and resid   36 and name  HZ3) (segid "   C" and resid   34 and name   HZ)
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   36 and name  HZ2) 4.152 2.155 2.155 weight 1.000 ! spec=2Dnoesy, no=131, id=936, vol=1.195798e+07
    or (segid "   C" and resid   47 and name   HA) (segid "   C" and resid   36 and name  HZ2)
assign (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   53 and name  HB1) 4.540 2.576 2.576 weight 1.000 ! spec=2Dnoesy, no=134, id=937, vol=8.358939e+06
    or (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   53 and name  HB1)
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   53 and name  HB1)
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   36 and name  HB1) 4.410 2.431 2.431 weight 1.000 ! spec=2dnoesy_H2O, no=45, id=964, vol=5.289700e+04
    or (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   36 and name  HB2)
assign (segid "   C" and resid   34 and name  HE2) (segid "   C" and resid   52 and name   HA) 3.745 1.753 1.753 weight 1.000 ! spec=2dnoesy_H2O, no=71, id=984, vol=7.875300e+04
    or (segid "   C" and resid   34 and name  HE1) (segid "   C" and resid   52 and name   HA)
    or (segid "   C" and resid   34 and name   HZ) (segid "   C" and resid   52 and name   HA)
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name  HB2) 2.828 1.000 1.000 weight 1.000 ! spec=N_noesy, no=2, id=0, vol=2.028885e+08
    or (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name  HB1)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name  HB2) 3.620 1.638 1.638 weight 1.000 ! spec=N_noesy, no=11, id=4, vol=8.284487e+07
    or (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name  HB1)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HA1) 2.650 0.878 0.878 weight 1.000 ! spec=N_noesy, no=13, id=6, vol=2.765261e+08
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HA2)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HG1) 3.086 1.190 1.190 weight 1.000 ! spec=N_noesy, no=14, id=7, vol=1.109318e+08
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HG2)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    7 and name  HB1) 3.464 1.500 1.500 weight 1.000 ! spec=N_noesy, no=15, id=8, vol=2.061299e+08
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    7 and name  HB2)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HG1) 3.069 1.177 1.177 weight 1.000 ! spec=N_noesy, no=17, id=10, vol=1.205152e+08
    or (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HG2)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=N_noesy, no=18, id=11, vol=2.834996e+08
    or (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB1)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB2) 2.910 1.059 1.059 weight 1.000 ! spec=N_noesy, no=24, id=14, vol=1.602126e+08
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB1)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HG1) 3.588 1.609 1.609 weight 1.000 ! spec=N_noesy, no=25, id=15, vol=5.497987e+07
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HG2)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB1) 3.284 1.348 1.348 weight 1.000 ! spec=N_noesy, no=26, id=16, vol=9.702541e+07
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB2)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HB1) 3.458 1.495 1.495 weight 1.000 ! spec=N_noesy, no=32, id=19, vol=9.505527e+07
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HB2)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD13) 3.523 1.552 1.552 weight 1.000 ! spec=N_noesy, no=33, id=20, vol=9.172388e+07
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD12)
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD11)
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD23)
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD22)
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name HD21)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   11 and name  HD2) 4.275 2.285 2.285 weight 1.000 ! spec=N_noesy, no=36, id=23, vol=6.880555e+07
    or (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   11 and name  HD1)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HA1) 2.600 0.845 0.845 weight 1.000 ! spec=N_noesy, no=46, id=25, vol=3.729446e+08
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HA2)
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HA1) 2.383 0.710 0.710 weight 1.000 ! spec=N_noesy, no=56, id=30, vol=6.105393e+08
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HA2)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB1) 2.533 0.802 0.802 weight 1.000 ! spec=N_noesy, no=66, id=33, vol=4.069941e+08
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB2)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HA1) 2.517 0.792 0.792 weight 1.000 ! spec=N_noesy, no=73, id=34, vol=3.486265e+08
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name   HA)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HA2) 2.507 0.786 0.786 weight 1.000 ! spec=N_noesy, no=80, id=35, vol=4.752251e+08
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HA1)
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG23) 3.099 1.200 1.200 weight 1.000 ! spec=N_noesy, no=98, id=47, vol=2.563427e+08
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG21)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG13)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG12)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG11)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG23) 4.556 2.595 2.595 weight 1.000 ! spec=N_noesy, no=106, id=53, vol=5.114694e+07
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG21)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG13)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG12)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG11)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   15 and name   HN) 3.102 1.203 1.203 weight 1.000 ! spec=N_noesy, no=112, id=58, vol=1.901291e+08
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   35 and name  HE1)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD12) 2.817 0.992 0.992 weight 1.000 ! spec=N_noesy, no=170, id=96, vol=3.102787e+08
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD13)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD23)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD21)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HD22)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD23) 3.275 1.341 1.341 weight 1.000 ! spec=N_noesy, no=174, id=100, vol=2.013615e+08
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD21)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD22)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD12)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD11)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HD13)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB2) 2.489 0.775 0.775 weight 1.000 ! spec=N_noesy, no=176, id=102, vol=4.398823e+08
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB1)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=N_noesy, no=213, id=116, vol=1.872794e+08
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HB)
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   26 and name  HD2) 4.758 2.829 2.829 weight 1.000 ! spec=N_noesy, no=285, id=154, vol=2.391793e+07
    or (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   26 and name  HD1)
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name  HB1) 2.137 0.571 0.571 weight 1.000 ! spec=N_noesy, no=301, id=159, vol=8.613823e+08
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name  HB2)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   36 and name  HB2) 2.288 0.654 0.654 weight 1.000 ! spec=N_noesy, no=312, id=166, vol=8.436576e+08
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   35 and name  HB1)
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name  HB1) 3.128 1.223 1.223 weight 1.000 ! spec=N_noesy, no=336, id=172, vol=1.331343e+08
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name  HB2)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   38 and name   HA) 2.711 0.919 0.919 weight 1.000 ! spec=N_noesy, no=341, id=177, vol=2.769696e+08
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG13) 4.014 2.014 2.014 weight 1.000 ! spec=N_noesy, no=347, id=180, vol=4.802353e+07
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG12)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG11)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG23)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   17 and name HG21)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HG2) 2.832 1.003 1.003 weight 1.000 ! spec=N_noesy, no=372, id=198, vol=2.850264e+08
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HB2)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HD2) 3.395 1.440 1.440 weight 1.000 ! spec=N_noesy, no=376, id=200, vol=7.991253e+07
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HD1)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB1) 2.781 0.967 0.967 weight 1.000 ! spec=N_noesy, no=404, id=209, vol=2.719189e+08
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB2)
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name  HB1) 2.962 1.097 1.097 weight 1.000 ! spec=N_noesy, no=410, id=212, vol=3.024089e+08
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name  HB2)
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HD1) 4.709 2.772 2.772 weight 1.000 ! spec=N_noesy, no=412, id=213, vol=5.457222e+07
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HD2)
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HA1) 2.372 0.703 0.703 weight 1.000 ! spec=N_noesy, no=425, id=217, vol=5.624637e+08
    or (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HA2)
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   50 and name  HA1) 2.240 0.627 0.627 weight 1.000 ! spec=N_noesy, no=432, id=220, vol=7.269569e+08
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   50 and name  HA2)
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name  HB2) 2.048 0.524 0.524 weight 1.000 ! spec=N_noesy, no=436, id=221, vol=1.091813e+09
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name  HB1)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name  HB2) 2.730 0.932 0.932 weight 1.000 ! spec=N_noesy, no=443, id=225, vol=6.076129e+08
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name  HB1)
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   52 and name  HG1)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   52 and name  HD2) 4.266 2.275 2.275 weight 1.000 ! spec=N_noesy, no=446, id=227, vol=5.500589e+07
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   52 and name  HD1)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   50 and name  HA1) 3.998 1.998 1.998 weight 1.000 ! spec=N_noesy, no=447, id=228, vol=5.765345e+07
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   50 and name  HA2)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HB2) 2.734 0.935 0.935 weight 1.000 ! spec=N_noesy, no=459, id=234, vol=2.633889e+08
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HB1)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   34 and name   HZ) 3.959 1.959 1.959 weight 1.000 ! spec=N_noesy, no=462, id=235, vol=4.957037e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   34 and name  HE2)
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   34 and name  HE1)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   56 and name   HN) 3.740 1.748 1.748 weight 1.000 ! spec=N_noesy, no=463, id=236, vol=5.125424e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   57 and name   HN)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name  HG2) 2.319 0.672 0.672 weight 1.000 ! spec=N_noesy, no=469, id=242, vol=4.175287e+08
    or (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name  HB2)
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   54 and name  HG1) 3.186 1.269 1.269 weight 1.000 ! spec=N_noesy, no=475, id=244, vol=7.702143e+07
    or (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   54 and name  HG2)
assign (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   56 and name  HB1) 2.921 1.066 1.066 weight 1.000 ! spec=N_noesy, no=492, id=249, vol=1.923038e+08
    or (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   56 and name  HB2)
assign (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   52 and name  HB1) 3.213 1.291 1.291 weight 1.000 ! spec=N_noesy, no=499, id=250, vol=1.211178e+08
    or (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   58 and name   HN) (segid "   C" and resid   58 and name  HA1) 2.392 0.715 0.715 weight 1.000 ! spec=N_noesy, no=503, id=252, vol=6.246967e+08
    or (segid "   C" and resid   58 and name   HN) (segid "   C" and resid   58 and name  HA2)
assign (segid "   C" and resid   59 and name   HN) (segid "   C" and resid   58 and name  HA2) 2.490 0.775 0.775 weight 1.000 ! spec=N_noesy, no=507, id=255, vol=4.728634e+08
    or (segid "   C" and resid   59 and name   HN) (segid "   C" and resid   58 and name  HA1)
assign (segid "   C" and resid   59 and name   HN) (segid "   C" and resid   59 and name  HB2) 2.642 0.873 0.873 weight 1.000 ! spec=N_noesy, no=511, id=256, vol=3.585668e+08
    or (segid "   C" and resid   59 and name   HN) (segid "   C" and resid   59 and name  HB1)
assign (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG23) 2.557 0.817 0.817 weight 1.000 ! spec=N_noesy, no=521, id=261, vol=3.397930e+08
    or (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG21)
    or (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG22)
    or (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG11)
    or (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG13)
    or (segid "   C" and resid   60 and name   HN) (segid "   C" and resid   60 and name HG12)
assign (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG11) 3.053 1.165 1.165 weight 1.000 ! spec=N_noesy, no=528, id=265, vol=1.425424e+08
    or (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG13)
    or (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG12)
    or (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG23)
    or (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG21)
    or (segid "   C" and resid   61 and name   HN) (segid "   C" and resid   60 and name HG22)
assign (segid "   C" and resid   66 and name   HN) (segid "   C" and resid   66 and name  HB1) 3.014 1.136 1.136 weight 1.000 ! spec=N_noesy, no=568, id=275, vol=1.439397e+08
    or (segid "   C" and resid   66 and name   HN) (segid "   C" and resid   66 and name  HB2)
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    4 and name  HB2) 4.730 2.796 2.796 weight 1.000 ! spec=N_noesy, no=576, id=276, vol=5.389444e+07
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    4 and name  HB1)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HG2) 3.506 1.536 1.536 weight 1.000 ! spec=N_noesy, no=592, id=280, vol=6.734427e+07
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HB2)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   57 and name  HB2) 3.826 1.830 1.830 weight 1.000 ! spec=N_noesy, no=614, id=289, vol=5.330067e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   57 and name  HB1)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name  HB1) 2.115 0.559 0.559 weight 1.000 ! spec=N_noesy, no=648, id=292, vol=9.318266e+08
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name  HG1)
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name  HB2)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HB2) 4.081 2.082 2.082 weight 1.000 ! spec=N_noesy, no=652, id=293, vol=6.838793e+07
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   20 and name  HB2)
assign (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   57 and name  HB1) 2.238 0.626 0.626 weight 1.000 ! spec=N_noesy, no=666, id=294, vol=8.399491e+08
    or (segid "   C" and resid   57 and name   HN) (segid "   C" and resid   57 and name  HB2)
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG13) 5.290 3.498 3.498 weight 1.000 ! spec=N_noesy, no=676, id=296, vol=2.095979e+07
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG12)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG11)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG23)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG22)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   17 and name HG21)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   34 and name  HE2) 4.138 2.140 2.140 weight 1.000 ! spec=N_noesy, no=769, id=303, vol=7.405937e+07
    or (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   34 and name  HE1)
    or (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   34 and name   HZ)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HD1) 5.263 3.462 3.462 weight 1.000 ! spec=N_noesy, no=826, id=304, vol=2.027110e+07
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HD2)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   34 and name  HE2) 3.475 1.509 1.509 weight 1.000 ! spec=N_noesy, no=841, id=305, vol=8.902853e+07
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   34 and name  HE1)
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   34 and name   HZ)
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   47 and name  HD1) 3.844 1.847 1.847 weight 1.000 ! spec=N_noesy, no=874, id=309, vol=9.206844e+07
    or (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   47 and name  HD2)
assign (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   46 and name  HD1) 4.074 2.074 2.074 weight 1.000 ! spec=N_noesy, no=875, id=310, vol=7.014877e+07
    or (segid "   C" and resid   36 and name  HE1) (segid "   C" and resid   46 and name  HD2)
assign (segid "   C" and resid    8 and name HD22) (segid "   C" and resid    8 and name  HB1) 2.995 1.121 1.121 weight 1.000 ! spec=N_noesy, no=900, id=314, vol=1.293501e+08
    or (segid "   C" and resid    8 and name HD22) (segid "   C" and resid    8 and name  HB2)
assign (segid "   C" and resid   26 and name   HE) (segid "   C" and resid   26 and name  HD1) 3.450 1.488 1.488 weight 1.000 ! spec=N_noesy, no=923, id=317, vol=4.919723e+07
    or (segid "   C" and resid   26 and name   HE) (segid "   C" and resid   26 and name  HD2)
assign (segid "   C" and resid   26 and name   HE) (segid "   C" and resid   26 and name  HG1) 3.513 1.542 1.542 weight 1.000 ! spec=N_noesy, no=924, id=318, vol=4.306230e+07
    or (segid "   C" and resid   26 and name   HE) (segid "   C" and resid   26 and name  HB2)
assign (segid "   C" and resid   54 and name   HE) (segid "   C" and resid   54 and name  HG2) 3.051 1.163 1.163 weight 1.000 ! spec=N_noesy, no=928, id=319, vol=1.145239e+08
    or (segid "   C" and resid   54 and name   HE) (segid "   C" and resid   54 and name  HG1)
assign (segid "   C" and resid   37 and name   HE) (segid "   C" and resid   37 and name  HD1) 3.533 1.560 1.560 weight 1.000 ! spec=N_noesy, no=931, id=322, vol=4.729410e+07
    or (segid "   C" and resid   37 and name   HE) (segid "   C" and resid   37 and name  HD2)
assign (segid "   C" and resid   37 and name   HE) (segid "   C" and resid   37 and name  HB2) 3.947 1.948 1.948 weight 1.000 ! spec=N_noesy, no=932, id=323, vol=3.009755e+07
    or (segid "   C" and resid   37 and name   HE) (segid "   C" and resid   37 and name  HG1)

!J-COUPLING DERIVED

!   18 C        J=13.73193
ASSIGN (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -120.00   30.00   2

!   24 V        J=12.24367
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -120.00   30.00   2

!   29 H        J=13.75391
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -120.00   30.00   2

!   30 C        J=12.72012
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -120.00   30.00   2

!   31 A        J=10.85413
ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -120.00   30.00   2

!   39 H        J=13.37341
ASSIGN (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -120.00   30.00   2

!   40 P        J=13.91954
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -120.00   30.00   2

!   45 S        J=10.08385
ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -120.00   30.00   2

!   49 T        J=9.36665
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -120.00   30.00   2

!   59 D        J=11.14062
ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -120.00   30.00   2

!   60 V        J=11.27782
ASSIGN (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -120.00   30.00   2

!   65 V        J=11.26151
ASSIGN (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -120.00   30.00   2

!   66 E        J=10.73690
ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -120.00   30.00   2! using 1.5 times the talos error! 

!   10 A  TALOS PHI = -77.00 +/- 11.00  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -77.00   16.50   2

!   11 P  TALOS PHI = -60.00 +/-  7.00  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -60.00   10.50   2

!   12 G  TALOS PHI = 79.00 +/- 19.00  
!ASSIGN (resid   11 and name C ) (resid   12 and name N )
!       (resid   12 and name CA) (resid   12 and name C )  1.00   79.00   28.50   2

!   13 A  TALOS PHI = -74.00 +/- 58.00  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -74.00   87.00   2

!   14 R  TALOS PHI = -132.00 +/- 25.00  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -132.00   37.50   2

!   15 C  TALOS PHI = -86.00 +/- 23.00  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -86.00   34.50   2

!   17 V  TALOS PHI = -88.00 +/- 18.00  
ASSIGN (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -88.00   27.00   2

!   20 D  TALOS PHI = -116.00 +/- 25.00  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -116.00   37.50   2

!   21 G  TALOS PHI = -88.00 +/- 21.00  
!ASSIGN (resid   20 and name C ) (resid   21 and name N )
!       (resid   21 and name CA) (resid   21 and name C )  1.00  -88.00   31.50   2

!   22 T  TALOS PHI = -62.00 +/- 12.00  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -62.00   18.00   2

!   23 D  TALOS PHI = -68.00 +/- 14.00  
!ASSIGN (resid   22 and name C ) (resid   23 and name N )
!       (resid   23 and name CA) (resid   23 and name C )  1.00  -68.00   21.00   2

!   24 V  TALOS PHI = -100.00 +/- 14.00  
!ASSIGN (resid   23 and name C ) (resid   24 and name N )
!       (resid   24 and name CA) (resid   24 and name C )  1.00  -100.00   21.00   2

!   25 L  TALOS PHI = -91.00 +/- 30.00  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -91.00   45.00   2

!   26 R  TALOS PHI = -117.00 +/- 13.00  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -117.00   19.50   2

!   27 C  TALOS PHI = -76.00 +/- 14.00  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -76.00   21.00   2

!   28 T  TALOS PHI = -70.00 +/- 15.00  
!ASSIGN (resid   27 and name C ) (resid   28 and name N )
!       (resid   28 and name CA) (resid   28 and name C )  1.00  -70.00   22.50   2

!   29 H  TALOS PHI = -87.00 +/- 24.00  
!ASSIGN (resid   28 and name C ) (resid   29 and name N )
!       (resid   29 and name CA) (resid   29 and name C )  1.00  -87.00   36.00   2

!   30 C  TALOS PHI = -138.81 +/- 18.08  
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -138.81   27.12   2

!   31 A  TALOS PHI = -72.00 +/- 21.00  
ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -72.00   31.50   2

!   32 A  TALOS PHI = -75.60 +/- 73.00  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -75.00   110.25   2

!   33 A  TALOS PHI = -110.00 +/- 20.00  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -110.00   30.00   2

!   34 F  TALOS PHI = -142.00 +/- 20.00  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -142.00   30.00   2

!   35 H  TALOS PHI = -89.00 +/- 28.00  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -89.00   42.00   2

!   36 W  TALOS PHI = -56.00 +/-  8.00  
ASSIGN (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -56.00   12.00   2

!   37 R  TALOS PHI = -66.00 +/-  7.00  
ASSIGN (resid   36 and name C ) (resid   37 and name N )
       (resid   37 and name CA) (resid   37 and name C )  1.00  -66.00   10.50   2

!   38 C  TALOS PHI = -71.00 +/- 14.00  
ASSIGN (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -71.00   21.00   2

!   39 H  TALOS PHI = -90.00 +/- 19.00  
!ASSIGN (resid   38 and name C ) (resid   39 and name N )
!       (resid   39 and name CA) (resid   39 and name C )  1.00  -90.00   28.50   2

!   40 F  TALOS PHI = -126.00 +/- 25.00  
!ASSIGN (resid   39 and name C ) (resid   40 and name N )
!       (resid   40 and name CA) (resid   40 and name C )  1.00  -126.00   37.50   2

!   41 P  TALOS PHI = -64.00 +/- 11.00  
!ASSIGN (resid   40 and name C ) (resid   41 and name N )
!       (resid   41 and name CA) (resid   41 and name C )  1.00  -64.00   16.50   2

!   42 A  TALOS PHI = -64.00 +/- 14.00  
ASSIGN (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -64.00   21.00   2

!   43 G  TALOS PHI = -79.00 +/- 14.00  
!ASSIGN (resid   42 and name C ) (resid   43 and name N )
!       (resid   43 and name CA) (resid   43 and name C )  1.00  -79.00   21.00   2

!   44 T  TALOS PHI = -101.00 +/- 26.00  
ASSIGN (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -101.00   39.00   2

!   45 S  TALOS PHI = -66.00 +/- 78.00  
!ASSIGN (resid   44 and name C ) (resid   45 and name N )
!       (resid   45 and name CA) (resid   45 and name C )  1.00  -66.00   117.00   2

!   46 R  TALOS PHI = -89.00 +/- 23.00  
ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -89.00   34.50   2

!   47 P  TALOS PHI = -60.00 +/-  7.00  
ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -60.00   10.50   2

!   48 G  TALOS PHI = 71.00 +/- 17.00  
!ASSIGN (resid   47 and name C ) (resid   48 and name N )
!       (resid   48 and name CA) (resid   48 and name C )  1.00   71.00   25.50   2

!   49 T  TALOS PHI = -103.00 +/- 25.00  
!ASSIGN (resid   48 and name C ) (resid   49 and name N )
!       (resid   49 and name CA) (resid   49 and name C )  1.00  -103.00   37.50   2

!   50 G  TALOS PHI = 78.00 +/- 23.00  
!ASSIGN (resid   49 and name C ) (resid   50 and name N )
!       (resid   50 and name CA) (resid   50 and name C )  1.00   78.00   34.50   2

!   51 L  TALOS PHI = -75.00 +/- 10.00  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -75.00   15.00   2

!   52 R  TALOS PHI = -125.00 +/- 26.00  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -125.00   39.00   2

!   53 C  TALOS PHI = -87.00 +/-  9.00  
ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -87.00   13.50   2

!   54 R  TALOS PHI = -61.00 +/- 13.00  
ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -61.00   19.50   2

!   55 S  TALOS PHI = -64.00 +/-  3.00  
ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -64.00   4.50   2

!   56 C  TALOS PHI = -64.00 +/-  5.00  
ASSIGN (resid   55 and name C ) (resid   56 and name N )
       (resid   56 and name CA) (resid   56 and name C )  1.00  -64.00   7.50   2

!   57 S  TALOS PHI = -93.00 +/- 11.00  
ASSIGN (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -93.00   16.50   2

!   58 G  TALOS PHI = 89.00 +/- 12.00  
!ASSIGN (resid   57 and name C ) (resid   58 and name N )
!       (resid   58 and name CA) (resid   58 and name C )  1.00   89.00   18.00   2

!   60 V  TALOS PHI = -94.00 +/- 27.00  
!ASSIGN (resid   59 and name C ) (resid   60 and name N )
!       (resid   60 and name CA) (resid   60 and name C )  1.00  -94.00   40.50   2

!   61 T  TALOS PHI = -88.00 +/- 22.00  
ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -88.00   33.00   2

!   62 P  TALOS PHI = -68.00 +/- 11.00  
ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00  -68.00   16.50   2

!   63 A  TALOS PHI = -84.00 +/- 17.00  
ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -84.00   25.50   2

! using 1.5 times the talos error! 

!   10 A  TALOS PSI = -77.00 +/- 11.00  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00   145.00   21.00   2

!   11 P  TALOS PSI = -60.00 +/-  7.00  
!ASSIGN (resid   11 and name N ) (resid   11 and name CA )
!       (resid   11 and name C) (resid   12 and name N )  1.00   144.00   18.00   2

!   12 G  TALOS PSI = 79.00 +/- 19.00  
!ASSIGN (resid   12 and name N ) (resid   12 and name CA )
!       (resid   12 and name C) (resid   13 and name N )  1.00   3.00   42.00   2

!   13 A  TALOS PSI = -74.00 +/- 58.00  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00   131.00   55.50   2

!   14 R  TALOS PSI = -132.00 +/- 25.00  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00   135.00   31.50   2

!   15 C  TALOS PSI = -86.00 +/- 23.00  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00   132.00   25.50   2

!   17 V  TALOS PSI = -88.00 +/- 18.00  
ASSIGN (resid   17 and name N ) (resid   17 and name CA )
       (resid   17 and name C) (resid   18 and name N )  1.00  -33.00   19.50   2

!   20 D  TALOS PSI = -116.00 +/- 25.00  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00   138.00   25.50   2

!   21 G  TALOS PSI = -88.00 +/- 21.00  
!ASSIGN (resid   21 and name N ) (resid   21 and name CA )
!       (resid   21 and name C) (resid   22 and name N )  1.00   131.00   33.00   2

!   22 T  TALOS PSI = -62.00 +/- 12.00  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00   126.00   9.00   2

!   23 D  TALOS PSI = -68.00 +/- 14.00  
!ASSIGN (resid   23 and name N ) (resid   23 and name CA )
!       (resid   23 and name C) (resid   24 and name N )  1.00  -30.00   12.00   2

!   24 V  TALOS PSI = -100.00 +/- 14.00  
!ASSIGN (resid   24 and name N ) (resid   24 and name CA )
!       (resid   24 and name C) (resid   25 and name N )  1.00  -4.00   10.50   2

!   25 L  TALOS PSI = -91.00 +/- 30.00  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00   155.00   10.50   2

!   26 R  TALOS PSI = -117.00 +/- 13.00  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00   138.00   18.00   2

!   27 C  TALOS PSI = -76.00 +/- 14.00  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00   131.00   15.00   2

!   28 T  TALOS PSI = -70.00 +/- 15.00  
!ASSIGN (resid   28 and name N ) (resid   28 and name CA )
!       (resid   28 and name C) (resid   29 and name N )  1.00  -14.00   21.00   2

!   29 H  TALOS PSI = -87.00 +/- 24.00  
!ASSIGN (resid   29 and name N ) (resid   29 and name CA )
!       (resid   29 and name C) (resid   30 and name N )  1.00  -31.00   16.50   2

!   30C  TALOS PSI = -166.77 +/- 16.55  
ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00   -166.77   24.82   2

!   31 A  TALOS PSI = -72.00 +/- 21.00  
ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00   137.00   21.00   2

!   32 A  TALOS PSI = 145 +/- 36.79  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00   145.31   55.18   2

!   33 A  TALOS PSI = -110.00 +/- 20.00  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00   146.00   33.00   2

!   34 F  TALOS PSI = -142.00 +/- 20.00  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00   168.00   24.00   2

!   35 H  TALOS PSI = -89.00 +/- 28.00  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00   133.00   27.00   2

!   36 W  TALOS PSI = -56.00 +/-  8.00  
ASSIGN (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.00  -38.00   15.00   2

!   37 R  TALOS PSI = -66.00 +/-  7.00  
ASSIGN (resid   37 and name N ) (resid   37 and name CA )
       (resid   37 and name C) (resid   38 and name N )  1.00  -27.00   21.00   2

!   38 C  TALOS PSI = -71.00 +/- 14.00  
ASSIGN (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.00  -40.00   16.50   2

!   39 H  TALOS PSI = -90.00 +/- 19.00  
!ASSIGN (resid   39 and name N ) (resid   39 and name CA )
!       (resid   39 and name C) (resid   40 and name N )  1.00  -29.00   27.00   2

!   40 F  TALOS PSI = -126.00 +/- 25.00  
!ASSIGN (resid   40 and name N ) (resid   40 and name CA )
!       (resid   40 and name C) (resid   41 and name N )  1.00   100.00   57.00   2

!   41 P  TALOS PSI = -64.00 +/- 11.00  
!ASSIGN (resid   41 and name N ) (resid   41 and name CA )
!       (resid   41 and name C) (resid   42 and name N )  1.00   149.00   15.00   2

!   42 A  TALOS PSI = -64.00 +/- 14.00  
ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00  -25.00   28.50   2

!   43 G  TALOS PSI = -79.00 +/- 14.00  
!ASSIGN (resid   43 and name N ) (resid   43 and name CA )
!       (resid   43 and name C) (resid   44 and name N )  1.00  -18.00   28.50   2

!   44 T  TALOS PSI = -101.00 +/- 26.00  
ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00   134.00   37.50   2

!   45 S  TALOS PSI = -66.00 +/- 78.00  
!ASSIGN (resid   45 and name N ) (resid   45 and name CA )
!       (resid   45 and name C) (resid   46 and name N )  1.00   157.00   55.50   2

!   46 R  TALOS PSI = -89.00 +/- 23.00  
ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00   140.00   28.50   2

!   47 P  TALOS PSI = -60.00 +/-  7.00  
ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00   148.00   15.00   2

!   48 G  TALOS PSI = 71.00 +/- 17.00  
!ASSIGN (resid   48 and name N ) (resid   48 and name CA )
!       (resid   48 and name C) (resid   49 and name N )  1.00   17.00   40.50   2

!   49 T  TALOS PSI = -103.00 +/- 25.00  
!ASSIGN (resid   49 and name N ) (resid   49 and name CA )
!       (resid   49 and name C) (resid   50 and name N )  1.00   148.00   45.00   2

!   50 G  TALOS PSI = 78.00 +/- 23.00  
!ASSIGN (resid   50 and name N ) (resid   50 and name CA )
!       (resid   50 and name C) (resid   51 and name N )  1.00   9.00   39.00   2

!   51 L  TALOS PSI = -75.00 +/- 10.00  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00   142.00   18.00   2

!   52 R  TALOS PSI = -125.00 +/- 26.00  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00   147.00   30.00   2

!   53 C  TALOS PSI = -87.00 +/-  9.00  
ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00   169.00   21.00   2

!   54 R  TALOS PSI = -61.00 +/- 13.00  
ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -42.00   10.50   2

!   55 S  TALOS PSI = -64.00 +/-  3.00  
ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -42.00   15.00   2

!   56 C  TALOS PSI = -64.00 +/-  5.00  
ASSIGN (resid   56 and name N ) (resid   56 and name CA )
       (resid   56 and name C) (resid   57 and name N )  1.00  -36.00   18.00   2

!   57 S  TALOS PSI = -93.00 +/- 11.00  
ASSIGN (resid   57 and name N ) (resid   57 and name CA )
       (resid   57 and name C) (resid   58 and name N )  1.00   3.00   16.50   2

!   58 G  TALOS PSI = 89.00 +/- 12.00  
!ASSIGN (resid   58 and name N ) (resid   58 and name CA )
!       (resid   58 and name C) (resid   59 and name N )  1.00   11.00   16.50   2

!   60 V  TALOS PSI = -94.00 +/- 27.00  
!ASSIGN (resid   60 and name N ) (resid   60 and name CA )
!       (resid   60 and name C) (resid   61 and name N )  1.00   140.00   25.50   2

!   61 T  TALOS PSI = -88.00 +/- 22.00  
ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00   133.00   27.00   2

!   62 P  TALOS PSI = -68.00 +/- 11.00  
ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00   148.00   13.50   2

!   63 A  TALOS PSI = -84.00 +/- 17.00  
ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00   144.00   27.00   2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  19.255  -2.201  20.952
    2    H2   GLY   1           HT2      GLY   1  18.551  -1.530  19.563
    3    H3   GLY   1           HT3      GLY   1  17.594  -1.892  20.907
    4    HA2  GLY   1           HA1      GLY   1  18.697  -0.219  22.219
    5    HA3  GLY   1           HA2      GLY   1  19.745   0.143  20.853
    6    H    ALA   2           HN       ALA   2  19.057   1.527  19.313
    7    HA   ALA   2           HA       ALA   2  16.230   2.200  19.126
    8    HB1  ALA   2           HB1      ALA   2  17.075   3.753  20.812
    9    HB2  ALA   2           HB2      ALA   2  16.644   4.604  19.329
   10    HB3  ALA   2           HB3      ALA   2  18.338   4.282  19.700
   11    H    MET   3           HN       MET   3  18.034   0.811  17.385
   12    HA   MET   3           HA       MET   3  17.783   2.519  15.042
   13    HB2  MET   3           HB2      MET   3  20.076   2.912  16.031
   14    HB3  MET   3           HB1      MET   3  20.436   1.227  15.679
   15    HG2  MET   3           HG2      MET   3  20.070   1.637  13.306
   16    HG3  MET   3           HG1      MET   3  19.691   3.324  13.651
   17    HE1  MET   3           HE1      MET   3  21.769   4.063  15.899
   18    HE2  MET   3           HE2      MET   3  21.455   5.099  14.508
   19    HE3  MET   3           HE3      MET   3  23.114   4.690  14.947
   20    H    GLU   4           HN       GLU   4  16.463   0.162  15.988
   21    HA   GLU   4           HA       GLU   4  17.446  -2.004  14.333
   22    HB2  GLU   4           HB2      GLU   4  14.957  -1.792  16.038
   23    HB3  GLU   4           HB1      GLU   4  15.447  -3.234  15.165
   24    HG2  GLU   4           HG2      GLU   4  16.164  -3.635  17.329
   25    HG3  GLU   4           HG1      GLU   4  17.621  -3.074  16.514
   26    H    GLY   5           HN       GLY   5  15.414   0.681  14.030
   27    HA2  GLY   5           HA2      GLY   5  14.037  -0.485  11.704
   28    HA3  GLY   5           HA1      GLY   5  13.535   0.965  12.561
   29    H    GLN   6           HN       GLN   6  16.893   0.545  11.870
   30    HA   GLN   6           HA       GLN   6  17.055   2.944  10.396
   31    HB2  GLN   6           HB2      GLN   6  19.385   2.167   9.833
   32    HB3  GLN   6           HB1      GLN   6  19.013   2.235  11.549
   33    HG2  GLN   6           HG2      GLN   6  18.674  -0.176  11.580
   34    HG3  GLN   6           HG1      GLN   6  19.020  -0.251   9.854
   35   HE21  GLN   6          HE21      GLN   6  21.135   1.725   9.978
   36   HE22  GLN   6          HE22      GLN   6  22.487   0.946  10.722
   37    H    GLN   7           HN       GLN   7  17.067  -0.451   9.394
   38    HA   GLN   7           HA       GLN   7  16.834   0.386   6.612
   39    HB2  GLN   7           HB2      GLN   7  17.217  -2.325   7.883
   40    HB3  GLN   7           HB1      GLN   7  16.932  -2.100   6.163
   41    HG2  GLN   7           HG2      GLN   7  19.227  -0.887   7.685
   42    HG3  GLN   7           HG1      GLN   7  19.313  -2.385   6.760
   43   HE21  GLN   7          HE21      GLN   7  20.859  -1.580   5.371
   44   HE22  GLN   7          HE22      GLN   7  20.510  -0.391   4.166
   45    H    ASN   8           HN       ASN   8  14.758   1.368   7.429
   46    HA   ASN   8           HA       ASN   8  12.545  -0.503   7.621
   47    HB2  ASN   8           HB2      ASN   8  11.145   1.495   7.915
   48    HB3  ASN   8           HB1      ASN   8  12.502   1.503   9.033
   49   HD21  ASN   8          HD21      ASN   8  14.112   3.036   8.806
   50   HD22  ASN   8          HD22      ASN   8  13.935   4.421   7.779
   51    H    LEU   9           HN       LEU   9  14.357   0.240   5.206
   52    HA   LEU   9           HA       LEU   9  12.363   1.000   3.240
   53    HB2  LEU   9           HB2      LEU   9  15.280   0.268   2.902
   54    HB3  LEU   9           HB1      LEU   9  14.236   0.853   1.629
   55    HG   LEU   9           HG       LEU   9  15.521   2.707   2.222
   56   HD11  LEU   9          HD11      LEU   9  13.977   4.292   3.224
   57   HD12  LEU   9          HD12      LEU   9  12.970   2.962   3.797
   58   HD13  LEU   9          HD13      LEU   9  13.158   3.242   2.065
   59   HD21  LEU   9          HD21      LEU   9  15.970   3.452   4.476
   60   HD22  LEU   9          HD22      LEU   9  16.470   1.771   4.291
   61   HD23  LEU   9          HD23      LEU   9  14.969   2.158   5.134
   62    H    ALA  10           HN       ALA  10  10.952  -0.657   3.021
   63    HA   ALA  10           HA       ALA  10  11.538  -3.371   3.297
   64    HB1  ALA  10           HB1      ALA  10   9.331  -3.760   2.311
   65    HB2  ALA  10           HB2      ALA  10   9.267  -2.070   1.811
   66    HB3  ALA  10           HB3      ALA  10   9.294  -2.481   3.524
   67    HA   PRO  11           HA       PRO  11  13.653  -4.333  -0.486
   68    HB2  PRO  11           HB2      PRO  11  12.627  -7.069  -0.043
   69    HB3  PRO  11           HB1      PRO  11  14.293  -6.503  -0.180
   70    HG2  PRO  11           HG2      PRO  11  13.261  -7.263   2.171
   71    HG3  PRO  11           HG1      PRO  11  14.424  -5.930   2.049
   72    HD2  PRO  11           HD2      PRO  11  11.461  -5.834   2.413
   73    HD3  PRO  11           HD1      PRO  11  12.723  -4.809   3.126
   74    H    GLY  12           HN       GLY  12  12.588  -3.508  -2.208
   75    HA2  GLY  12           HA2      GLY  12  11.368  -3.640  -4.160
   76    HA3  GLY  12           HA1      GLY  12  10.852  -5.249  -3.681
   77    H    ALA  13           HN       ALA  13  10.336  -2.802  -1.363
   78    HA   ALA  13           HA       ALA  13   7.577  -2.407  -2.271
   79    HB1  ALA  13           HB1      ALA  13   7.517  -4.261  -0.695
   80    HB2  ALA  13           HB2      ALA  13   6.722  -2.840  -0.020
   81    HB3  ALA  13           HB3      ALA  13   8.344  -3.279   0.511
   82    H    ARG  14           HN       ARG  14   7.772  -0.305  -2.721
   83    HA   ARG  14           HA       ARG  14   8.260   1.511  -0.476
   84    HB2  ARG  14           HB2      ARG  14   9.515   1.710  -3.218
   85    HB3  ARG  14           HB1      ARG  14   9.448   3.055  -2.089
   86    HG2  ARG  14           HG2      ARG  14  10.765   1.737  -0.481
   87    HG3  ARG  14           HG1      ARG  14  10.870   0.435  -1.671
   88    HD2  ARG  14           HD2      ARG  14  12.080   1.828  -3.187
   89    HD3  ARG  14           HD1      ARG  14  11.808   3.250  -2.185
   90    HE   ARG  14           HE       ARG  14  13.297   1.050  -0.988
   91   HH11  ARG  14          HH11      ARG  14  13.358   4.167  -2.577
   92   HH12  ARG  14          HH12      ARG  14  14.953   4.562  -2.021
   93   HH21  ARG  14          HH21      ARG  14  15.408   1.567  -0.257
   94   HH22  ARG  14          HH22      ARG  14  16.114   3.091  -0.692
   95    H    CYS  15           HN       CYS  15   7.386   3.699  -0.941
   96    HA   CYS  15           HA       CYS  15   4.800   3.585  -2.104
   97    HB2  CYS  15           HB2      CYS  15   5.268   5.145  -0.298
   98    HB3  CYS  15           HB1      CYS  15   6.506   5.942  -1.260
   99    H    GLY  16           HN       GLY  16   4.574   3.286  -4.239
  100    HA2  GLY  16           HA2      GLY  16   6.529   3.824  -6.170
  101    HA3  GLY  16           HA1      GLY  16   4.836   3.502  -6.505
  102    H    VAL  17           HN       VAL  17   4.162   5.898  -4.778
  103    HA   VAL  17           HA       VAL  17   4.116   7.823  -6.892
  104    HB   VAL  17           HB       VAL  17   3.338   8.143  -3.987
  105   HG11  VAL  17          HG11      VAL  17   1.997  10.041  -4.761
  106   HG12  VAL  17          HG12      VAL  17   2.636   9.825  -6.391
  107   HG13  VAL  17          HG13      VAL  17   3.715  10.291  -5.074
  108   HG21  VAL  17          HG21      VAL  17   2.072   6.368  -5.066
  109   HG22  VAL  17          HG22      VAL  17   1.658   7.452  -6.395
  110   HG23  VAL  17          HG23      VAL  17   1.045   7.771  -4.772
  111    H    CYS  18           HN       CYS  18   6.082   7.285  -4.049
  112    HA   CYS  18           HA       CYS  18   7.355   9.911  -4.402
  113    HB2  CYS  18           HB2      CYS  18   7.316   8.036  -2.034
  114    HB3  CYS  18           HB1      CYS  18   8.282   9.505  -2.106
  115    H    GLY  19           HN       GLY  19   8.053   6.460  -4.198
  116    HA2  GLY  19           HA2      GLY  19   9.906   5.437  -5.281
  117    HA3  GLY  19           HA1      GLY  19  10.742   6.987  -5.259
  118    H    ASP  20           HN       ASP  20   9.709   7.188  -2.378
  119    HA   ASP  20           HA       ASP  20  11.977   5.794  -1.180
  120    HB2  ASP  20           HB2      ASP  20  10.245   8.074  -0.229
  121    HB3  ASP  20           HB1      ASP  20  11.370   7.241   0.837
  122    H    GLY  21           HN       GLY  21  11.749   4.620   0.761
  123    HA2  GLY  21           HA2      GLY  21   9.014   3.593   1.236
  124    HA3  GLY  21           HA1      GLY  21  10.470   2.620   1.420
  125    H    THR  22           HN       THR  22  11.001   5.747   2.407
  126    HA   THR  22           HA       THR  22  11.446   5.078   5.095
  127    HB   THR  22           HB       THR  22  11.066   7.831   3.904
  128    HG1  THR  22           HG1      THR  22  13.459   6.307   4.247
  129   HG21  THR  22          HG21      THR  22  12.528   6.909   6.379
  130   HG22  THR  22          HG22      THR  22  11.024   7.828   6.345
  131   HG23  THR  22          HG23      THR  22  12.517   8.557   5.750
  132    H    ASP  23           HN       ASP  23  10.014   4.732   6.626
  133    HA   ASP  23           HA       ASP  23   8.091   4.678   7.827
  134    HB2  ASP  23           HB2      ASP  23   8.146   7.560   6.961
  135    HB3  ASP  23           HB1      ASP  23   6.846   6.930   7.966
  136    H    VAL  24           HN       VAL  24   7.799   3.467   5.487
  137    HA   VAL  24           HA       VAL  24   5.451   4.521   4.146
  138    HB   VAL  24           HB       VAL  24   7.496   3.434   3.005
  139   HG11  VAL  24          HG11      VAL  24   5.995   0.924   3.693
  140   HG12  VAL  24          HG12      VAL  24   7.554   1.405   4.362
  141   HG13  VAL  24          HG13      VAL  24   7.405   1.054   2.641
  142   HG21  VAL  24          HG21      VAL  24   4.721   2.592   2.227
  143   HG22  VAL  24          HG22      VAL  24   6.134   2.617   1.170
  144   HG23  VAL  24          HG23      VAL  24   5.497   4.124   1.830
  145    H    LEU  25           HN       LEU  25   3.432   3.526   4.144
  146    HA   LEU  25           HA       LEU  25   2.918   2.018   6.562
  147    HB2  LEU  25           HB2      LEU  25   1.048   3.145   4.475
  148    HB3  LEU  25           HB1      LEU  25   0.527   2.324   5.935
  149    HG   LEU  25           HG       LEU  25   2.117   4.890   5.870
  150   HD11  LEU  25          HD11      LEU  25  -0.145   5.187   5.007
  151   HD12  LEU  25          HD12      LEU  25   0.048   5.956   6.583
  152   HD13  LEU  25          HD13      LEU  25  -0.801   4.416   6.451
  153   HD21  LEU  25          HD21      LEU  25   0.838   3.372   8.138
  154   HD22  LEU  25          HD22      LEU  25   1.525   4.989   8.264
  155   HD23  LEU  25          HD23      LEU  25   2.564   3.621   7.873
  156    H    ARG  26           HN       ARG  26   2.048  -0.008   6.684
  157    HA   ARG  26           HA       ARG  26   2.291  -1.630   4.242
  158    HB2  ARG  26           HB2      ARG  26   2.212  -2.547   7.124
  159    HB3  ARG  26           HB1      ARG  26   2.530  -3.553   5.722
  160    HG2  ARG  26           HG2      ARG  26   4.288  -1.379   6.830
  161    HG3  ARG  26           HG1      ARG  26   4.582  -3.116   6.874
  162    HD2  ARG  26           HD2      ARG  26   4.446  -2.948   4.287
  163    HD3  ARG  26           HD1      ARG  26   4.723  -1.227   4.554
  164    HE   ARG  26           HE       ARG  26   6.634  -3.338   4.766
  165   HH11  ARG  26          HH11      ARG  26   5.824  -0.158   5.995
  166   HH12  ARG  26          HH12      ARG  26   7.454   0.212   6.456
  167   HH21  ARG  26          HH21      ARG  26   8.773  -2.860   5.403
  168   HH22  ARG  26          HH22      ARG  26   9.121  -1.329   6.145
  169    H    CYS  27           HN       CYS  27   0.617  -3.017   3.640
  170    HA   CYS  27           HA       CYS  27  -2.008  -2.326   4.631
  171    HB2  CYS  27           HB2      CYS  27  -1.418  -2.823   2.180
  172    HB3  CYS  27           HB1      CYS  27  -1.383  -4.529   2.644
  173    H    THR  28           HN       THR  28  -3.423  -3.729   5.699
  174    HA   THR  28           HA       THR  28  -2.072  -5.776   7.271
  175    HB   THR  28           HB       THR  28  -4.223  -5.804   8.575
  176    HG1  THR  28           HG1      THR  28  -4.883  -3.422   7.184
  177   HG21  THR  28          HG21      THR  28  -3.826  -3.648   9.657
  178   HG22  THR  28          HG22      THR  28  -2.888  -3.111   8.264
  179   HG23  THR  28          HG23      THR  28  -2.299  -4.438   9.264
  180    H    HIS  29           HN       HIS  29  -4.503  -5.510   4.780
  181    HA   HIS  29           HA       HIS  29  -5.328  -8.278   5.127
  182    HB2  HIS  29           HB2      HIS  29  -6.272  -6.065   3.318
  183    HB3  HIS  29           HB1      HIS  29  -6.785  -7.731   3.080
  184    HD1  HIS  29           HD1      HIS  29  -8.468  -8.708   4.746
  185    HD2  HIS  29           HD2      HIS  29  -7.345  -4.797   5.594
  186    HE1  HIS  29           HE1      HIS  29 -10.106  -7.891   6.469
  187    HE2  HIS  29           HE2      HIS  29  -9.485  -5.481   6.869
  188    H    CYS  30           HN       CYS  30  -3.049  -6.506   3.329
  189    HA   CYS  30           HA       CYS  30  -2.184  -8.945   2.049
  190    HB2  CYS  30           HB2      CYS  30  -2.273  -8.240  -0.182
  191    HB3  CYS  30           HB1      CYS  30  -3.807  -7.676   0.464
  192    H    ALA  31           HN       ALA  31  -0.167  -8.013   0.521
  193    HA   ALA  31           HA       ALA  31   1.507  -6.615   2.472
  194    HB1  ALA  31           HB1      ALA  31   3.417  -7.633   1.326
  195    HB2  ALA  31           HB2      ALA  31   2.321  -8.403   0.181
  196    HB3  ALA  31           HB3      ALA  31   2.277  -8.857   1.884
  197    H    ALA  32           HN       ALA  32   1.879  -4.547   2.048
  198    HA   ALA  32           HA       ALA  32   2.504  -3.644  -0.610
  199    HB1  ALA  32           HB1      ALA  32   0.715  -2.005  -0.783
  200    HB2  ALA  32           HB2      ALA  32   0.027  -2.572   0.737
  201    HB3  ALA  32           HB3      ALA  32   0.045  -3.632  -0.671
  202    H    ALA  33           HN       ALA  33   3.257  -1.462  -0.640
  203    HA   ALA  33           HA       ALA  33   3.755  -0.241   1.984
  204    HB1  ALA  33           HB1      ALA  33   6.063   0.257   1.318
  205    HB2  ALA  33           HB2      ALA  33   5.834  -0.681  -0.158
  206    HB3  ALA  33           HB3      ALA  33   5.768  -1.478   1.415
  207    H    PHE  34           HN       PHE  34   2.773   1.645   1.884
  208    HA   PHE  34           HA       PHE  34   3.349   3.490  -0.266
  209    HB2  PHE  34           HB2      PHE  34   1.020   3.870  -0.888
  210    HB3  PHE  34           HB1      PHE  34   1.434   2.182  -1.162
  211    HD1  PHE  34           HD2      PHE  34   0.662   0.455   0.490
  212    HD2  PHE  34           HD1      PHE  34  -0.722   4.479   0.572
  213    HE1  PHE  34           HE2      PHE  34  -1.249  -0.232   1.875
  214    HE2  PHE  34           HE1      PHE  34  -2.636   3.796   1.957
  215    HZ   PHE  34           HZ       PHE  34  -2.901   1.439   2.609
  216    H    HIS  35           HN       HIS  35   2.653   5.668   0.274
  217    HA   HIS  35           HA       HIS  35   2.152   6.040   3.127
  218    HB2  HIS  35           HB2      HIS  35   2.533   8.167   1.003
  219    HB3  HIS  35           HB1      HIS  35   2.522   8.413   2.744
  220    HD2  HIS  35           HD2      HIS  35   4.703   6.168   3.613
  221    HE1  HIS  35           HE1      HIS  35   7.205   8.189   0.852
  222    HE2  HIS  35           HE2      HIS  35   7.147   6.769   2.964
  223    H    TRP  36           HN       TRP  36   0.195   6.719   3.919
  224    HA   TRP  36           HA       TRP  36  -2.080   5.967   2.576
  225    HB2  TRP  36           HB2      TRP  36  -1.979   6.310   5.007
  226    HB3  TRP  36           HB1      TRP  36  -1.905   8.050   4.758
  227    HD1  TRP  36           HD1      TRP  36  -4.154   9.308   4.525
  228    HE1  TRP  36           HE1      TRP  36  -6.625   8.599   4.464
  229    HE3  TRP  36           HE3      TRP  36  -3.528   4.251   4.142
  230    HZ2  TRP  36           HZ2      TRP  36  -8.112   6.202   4.275
  231    HZ3  TRP  36           HZ3      TRP  36  -5.525   2.821   4.026
  232    HH2  TRP  36           HH2      TRP  36  -7.771   3.776   4.092
  233    H    ARG  37           HN       ARG  37  -0.888   9.294   2.968
  234    HA   ARG  37           HA       ARG  37  -2.995  10.545   1.590
  235    HB2  ARG  37           HB2      ARG  37  -0.148  11.496   1.936
  236    HB3  ARG  37           HB1      ARG  37  -1.513  12.500   1.469
  237    HG2  ARG  37           HG2      ARG  37  -2.579  12.027   3.630
  238    HG3  ARG  37           HG1      ARG  37  -1.169  11.073   4.097
  239    HD2  ARG  37           HD2      ARG  37  -0.984  13.277   5.044
  240    HD3  ARG  37           HD1      ARG  37   0.239  13.076   3.792
  241    HE   ARG  37           HE       ARG  37  -2.222  14.316   2.912
  242   HH11  ARG  37          HH11      ARG  37   1.010  14.803   4.160
  243   HH12  ARG  37          HH12      ARG  37   1.116  16.443   3.605
  244   HH21  ARG  37          HH21      ARG  37  -2.097  16.480   2.184
  245   HH22  ARG  37          HH22      ARG  37  -0.652  17.397   2.475
  246    H    CYS  38           HN       CYS  38  -0.168   8.919   0.431
  247    HA   CYS  38           HA       CYS  38  -0.150  10.164  -2.153
  248    HB2  CYS  38           HB2      CYS  38   1.201   7.619  -1.237
  249    HB3  CYS  38           HB1      CYS  38   1.583   8.539  -2.691
  250    H    HIS  39           HN       HIS  39  -1.806   7.531  -0.687
  251    HA   HIS  39           HA       HIS  39  -2.671   6.529  -3.306
  252    HB2  HIS  39           HB2      HIS  39  -2.388   5.326  -0.644
  253    HB3  HIS  39           HB1      HIS  39  -3.878   4.893  -1.474
  254    HD1  HIS  39           HD1      HIS  39  -3.515   2.652  -2.426
  255    HD2  HIS  39           HD2      HIS  39  -0.205   5.098  -2.968
  256    HE1  HIS  39           HE1      HIS  39  -1.871   1.268  -3.723
  257    HE2  HIS  39           HE2      HIS  39   0.078   2.813  -4.151
  258    H    PHE  40           HN       PHE  40  -3.905   7.849  -0.275
  259    HA   PHE  40           HA       PHE  40  -6.508   8.254  -1.603
  260    HB2  PHE  40           HB2      PHE  40  -5.907   7.837   1.335
  261    HB3  PHE  40           HB1      PHE  40  -7.488   8.267   0.695
  262    HD1  PHE  40           HD1      PHE  40  -4.936   5.621   0.863
  263    HD2  PHE  40           HD2      PHE  40  -8.895   6.641  -0.312
  264    HE1  PHE  40           HE1      PHE  40  -5.460   3.235   0.571
  265    HE2  PHE  40           HE2      PHE  40  -9.427   4.258  -0.610
  266    HZ   PHE  40           HZ       PHE  40  -7.708   2.551  -0.166
  267    HA   PRO  41           HA       PRO  41  -4.803  12.415  -0.608
  268    HB2  PRO  41           HB2      PRO  41  -5.176  13.287  -3.274
  269    HB3  PRO  41           HB1      PRO  41  -3.655  12.833  -2.508
  270    HG2  PRO  41           HG2      PRO  41  -4.908  11.462  -4.593
  271    HG3  PRO  41           HG1      PRO  41  -3.617  10.828  -3.562
  272    HD2  PRO  41           HD2      PRO  41  -6.563  10.383  -3.404
  273    HD3  PRO  41           HD1      PRO  41  -5.228   9.265  -3.047
  274    H    ALA  42           HN       ALA  42  -7.732  11.194  -1.225
  275    HA   ALA  42           HA       ALA  42  -9.153  13.593  -1.981
  276    HB1  ALA  42           HB1      ALA  42 -10.216  10.900  -1.142
  277    HB2  ALA  42           HB2      ALA  42  -9.874  11.403  -2.798
  278    HB3  ALA  42           HB3      ALA  42 -11.146  12.206  -1.877
  279    H    GLY  43           HN       GLY  43  -7.751  12.836   0.813
  280    HA2  GLY  43           HA2      GLY  43  -8.052  13.947   2.855
  281    HA3  GLY  43           HA1      GLY  43  -9.684  14.373   2.355
  282    H    THR  44           HN       THR  44  -8.571  11.131   2.035
  283    HA   THR  44           HA       THR  44 -10.585  10.107   3.780
  284    HB   THR  44           HB       THR  44  -8.251   8.554   2.668
  285    HG1  THR  44           HG1      THR  44 -10.685   9.143   1.295
  286   HG21  THR  44          HG21      THR  44  -9.807   7.411   4.225
  287   HG22  THR  44          HG22      THR  44  -9.831   6.715   2.605
  288   HG23  THR  44          HG23      THR  44 -11.136   7.779   3.127
  289    H    SER  45           HN       SER  45 -10.324   9.232   5.837
  290    HA   SER  45           HA       SER  45  -7.931  10.104   7.235
  291    HB2  SER  45           HB2      SER  45  -9.275   9.291   9.257
  292    HB3  SER  45           HB1      SER  45  -9.945  10.654   8.360
  293    HG   SER  45           HG       SER  45 -10.733   7.930   8.238
  294    H    ARG  46           HN       ARG  46  -6.400   8.804   8.061
  295    HA   ARG  46           HA       ARG  46  -6.228   6.114   7.122
  296    HB2  ARG  46           HB2      ARG  46  -4.210   7.391   7.256
  297    HB3  ARG  46           HB1      ARG  46  -4.490   7.774   8.946
  298    HG2  ARG  46           HG2      ARG  46  -4.095   5.480   9.577
  299    HG3  ARG  46           HG1      ARG  46  -3.939   5.014   7.883
  300    HD2  ARG  46           HD2      ARG  46  -1.766   5.276   9.046
  301    HD3  ARG  46           HD1      ARG  46  -1.948   6.324   7.643
  302    HE   ARG  46           HE       ARG  46  -2.712   7.974   9.573
  303   HH11  ARG  46          HH11      ARG  46  -0.019   5.733   9.552
  304   HH12  ARG  46          HH12      ARG  46   1.009   6.770  10.486
  305   HH21  ARG  46          HH21      ARG  46  -1.366   9.327  10.816
  306   HH22  ARG  46          HH22      ARG  46   0.245   8.811  11.205
  307    HA   PRO  47           HA       PRO  47  -8.436   4.528  10.698
  308    HB2  PRO  47           HB2      PRO  47  -8.638   1.982   9.810
  309    HB3  PRO  47           HB1      PRO  47  -9.676   3.282   9.215
  310    HG2  PRO  47           HG2      PRO  47  -7.254   2.066   7.957
  311    HG3  PRO  47           HG1      PRO  47  -8.778   2.566   7.203
  312    HD2  PRO  47           HD2      PRO  47  -6.488   4.058   7.132
  313    HD3  PRO  47           HD1      PRO  47  -8.119   4.754   7.039
  314    H    GLY  48           HN       GLY  48  -7.583   3.843  12.558
  315    HA2  GLY  48           HA2      GLY  48  -4.931   2.687  12.611
  316    HA3  GLY  48           HA1      GLY  48  -5.929   3.085  14.005
  317    H    THR  49           HN       THR  49  -8.139   1.581  12.530
  318    HA   THR  49           HA       THR  49  -7.449  -1.053  13.571
  319    HB   THR  49           HB       THR  49  -9.990  -1.398  13.076
  320    HG1  THR  49           HG1      THR  49 -10.763   1.027  13.563
  321   HG21  THR  49          HG21      THR  49  -9.017   0.434  15.268
  322   HG22  THR  49          HG22      THR  49  -9.049  -1.327  15.320
  323   HG23  THR  49          HG23      THR  49 -10.559  -0.418  15.264
  324    H    GLY  50           HN       GLY  50  -6.023  -1.347  11.633
  325    HA2  GLY  50           HA2      GLY  50  -5.906  -2.990   9.933
  326    HA3  GLY  50           HA1      GLY  50  -7.611  -2.733   9.601
  327    H    LEU  51           HN       LEU  51  -4.387  -1.409   9.195
  328    HA   LEU  51           HA       LEU  51  -5.023   0.667   7.404
  329    HB2  LEU  51           HB2      LEU  51  -2.775  -0.059   8.622
  330    HB3  LEU  51           HB1      LEU  51  -2.493  -0.903   7.116
  331    HG   LEU  51           HG       LEU  51  -1.371   1.266   7.151
  332   HD11  LEU  51          HD11      LEU  51  -2.189   2.161   5.043
  333   HD12  LEU  51          HD12      LEU  51  -3.671   1.221   5.209
  334   HD13  LEU  51          HD13      LEU  51  -2.124   0.400   5.002
  335   HD21  LEU  51          HD21      LEU  51  -4.132   2.449   7.382
  336   HD22  LEU  51          HD22      LEU  51  -2.626   3.342   7.172
  337   HD23  LEU  51          HD23      LEU  51  -2.909   2.427   8.653
  338    H    ARG  52           HN       ARG  52  -5.711   0.596   5.353
  339    HA   ARG  52           HA       ARG  52  -5.538  -1.968   3.920
  340    HB2  ARG  52           HB2      ARG  52  -7.887  -0.147   4.346
  341    HB3  ARG  52           HB1      ARG  52  -7.828  -1.233   2.965
  342    HG2  ARG  52           HG2      ARG  52  -7.943  -3.130   4.289
  343    HG3  ARG  52           HG1      ARG  52  -7.401  -2.272   5.733
  344    HD2  ARG  52           HD2      ARG  52  -9.982  -1.539   4.406
  345    HD3  ARG  52           HD1      ARG  52  -9.902  -2.922   5.498
  346    HE   ARG  52           HE       ARG  52  -8.752  -0.956   6.946
  347   HH11  ARG  52          HH11      ARG  52 -11.765  -1.105   5.172
  348   HH12  ARG  52          HH12      ARG  52 -12.618  -0.074   6.270
  349   HH21  ARG  52          HH21      ARG  52  -9.870   0.389   8.404
  350   HH22  ARG  52          HH22      ARG  52 -11.537   0.777   8.121
  351    H    CYS  53           HN       CYS  53  -4.760  -1.855   1.920
  352    HA   CYS  53           HA       CYS  53  -3.999   0.655   0.773
  353    HB2  CYS  53           HB2      CYS  53  -2.979  -0.619  -0.974
  354    HB3  CYS  53           HB1      CYS  53  -2.702  -1.501   0.525
  355    H    ARG  54           HN       ARG  54  -4.493   0.629  -1.855
  356    HA   ARG  54           HA       ARG  54  -7.129   1.595  -1.977
  357    HB2  ARG  54           HB2      ARG  54  -5.456   2.458  -3.475
  358    HB3  ARG  54           HB1      ARG  54  -5.178   0.869  -4.166
  359    HG2  ARG  54           HG2      ARG  54  -6.451   2.223  -5.691
  360    HG3  ARG  54           HG1      ARG  54  -7.445   0.892  -5.101
  361    HD2  ARG  54           HD2      ARG  54  -8.779   2.879  -5.122
  362    HD3  ARG  54           HD1      ARG  54  -8.445   2.453  -3.445
  363    HE   ARG  54           HE       ARG  54  -6.482   4.255  -4.234
  364   HH11  ARG  54          HH11      ARG  54  -9.953   4.203  -3.822
  365   HH12  ARG  54          HH12      ARG  54 -10.069   5.896  -3.463
  366   HH21  ARG  54          HH21      ARG  54  -6.618   6.496  -3.756
  367   HH22  ARG  54          HH22      ARG  54  -8.172   7.199  -3.426
  368    H    SER  55           HN       SER  55  -5.707  -1.439  -3.140
  369    HA   SER  55           HA       SER  55  -8.042  -2.369  -4.426
  370    HB2  SER  55           HB2      SER  55  -5.731  -3.203  -4.877
  371    HB3  SER  55           HB1      SER  55  -5.761  -4.018  -3.317
  372    HG   SER  55           HG       SER  55  -7.452  -4.501  -5.547
  373    H    CYS  56           HN       CYS  56  -6.684  -3.090  -1.199
  374    HA   CYS  56           HA       CYS  56  -8.750  -4.898  -0.491
  375    HB2  CYS  56           HB2      CYS  56  -6.841  -3.349   1.264
  376    HB3  CYS  56           HB1      CYS  56  -7.911  -4.621   1.838
  377    H    SER  57           HN       SER  57  -8.578  -1.453  -0.486
  378    HA   SER  57           HA       SER  57 -10.769  -1.157   1.385
  379    HB2  SER  57           HB2      SER  57  -9.353   0.901  -0.326
  380    HB3  SER  57           HB1      SER  57 -10.548   1.258   0.921
  381    HG   SER  57           HG       SER  57  -7.893   0.468   1.158
  382    H    GLY  58           HN       GLY  58 -10.559  -2.067  -1.777
  383    HA2  GLY  58           HA2      GLY  58 -12.573  -0.578  -3.050
  384    HA3  GLY  58           HA1      GLY  58 -12.087  -2.211  -3.481
  385    H    ASP  59           HN       ASP  59 -12.929  -3.938  -1.976
  386    HA   ASP  59           HA       ASP  59 -15.701  -3.294  -1.225
  387    HB2  ASP  59           HB2      ASP  59 -14.449  -5.841  -2.236
  388    HB3  ASP  59           HB1      ASP  59 -15.997  -5.845  -1.398
  389    H    VAL  60           HN       VAL  60 -15.929  -3.035   0.874
  390    HA   VAL  60           HA       VAL  60 -14.590  -4.918   2.693
  391    HB   VAL  60           HB       VAL  60 -14.949  -1.982   3.330
  392   HG11  VAL  60          HG11      VAL  60 -13.452  -2.482   5.214
  393   HG12  VAL  60          HG12      VAL  60 -13.427  -4.178   4.732
  394   HG13  VAL  60          HG13      VAL  60 -14.933  -3.438   5.274
  395   HG21  VAL  60          HG21      VAL  60 -13.302  -2.196   1.550
  396   HG22  VAL  60          HG22      VAL  60 -12.431  -3.413   2.483
  397   HG23  VAL  60          HG23      VAL  60 -12.522  -1.752   3.068
  398    H    THR  61           HN       THR  61 -16.675  -5.982   2.547
  399    HA   THR  61           HA       THR  61 -18.744  -4.639   4.155
  400    HB   THR  61           HB       THR  61 -19.174  -6.838   2.122
  401    HG1  THR  61           HG1      THR  61 -18.762  -4.220   1.761
  402   HG21  THR  61          HG21      THR  61 -21.547  -6.263   2.368
  403   HG22  THR  61          HG22      THR  61 -21.133  -5.067   3.597
  404   HG23  THR  61          HG23      THR  61 -20.857  -6.782   3.907
  405    HA   PRO  62           HA       PRO  62 -17.405  -7.941   6.947
  406    HB2  PRO  62           HB2      PRO  62 -18.724  -6.982   9.120
  407    HB3  PRO  62           HB1      PRO  62 -17.173  -6.334   8.574
  408    HG2  PRO  62           HG2      PRO  62 -19.935  -5.278   8.121
  409    HG3  PRO  62           HG1      PRO  62 -18.453  -4.396   8.537
  410    HD2  PRO  62           HD2      PRO  62 -19.437  -4.507   6.017
  411    HD3  PRO  62           HD1      PRO  62 -17.699  -4.390   6.360
  412    H    ALA  63           HN       ALA  63 -18.496  -9.596   8.173
  413    HA   ALA  63           HA       ALA  63 -21.148 -10.187   7.101
  414    HB1  ALA  63           HB1      ALA  63 -20.764 -12.458   7.930
  415    HB2  ALA  63           HB2      ALA  63 -19.234 -11.941   8.637
  416    HB3  ALA  63           HB3      ALA  63 -19.447 -11.922   6.888
  417    HA   PRO  64           HA       PRO  64 -22.889  -8.562  10.887
  418    HB2  PRO  64           HB2      PRO  64 -25.295  -9.961   9.868
  419    HB3  PRO  64           HB1      PRO  64 -25.087  -8.270  10.336
  420    HG2  PRO  64           HG2      PRO  64 -25.278  -8.966   7.770
  421    HG3  PRO  64           HG1      PRO  64 -24.179  -7.676   8.293
  422    HD2  PRO  64           HD2      PRO  64 -23.560 -10.505   7.544
  423    HD3  PRO  64           HD1      PRO  64 -22.657  -9.018   7.188
  424    H    VAL  65           HN       VAL  65 -21.931  -9.822  12.460
  425    HA   VAL  65           HA       VAL  65 -22.926 -12.517  12.905
  426    HB   VAL  65           HB       VAL  65 -20.531 -12.142  13.175
  427   HG11  VAL  65          HG11      VAL  65 -20.519  -9.825  13.856
  428   HG12  VAL  65          HG12      VAL  65 -19.653 -10.807  15.036
  429   HG13  VAL  65          HG13      VAL  65 -21.285 -10.244  15.387
  430   HG21  VAL  65          HG21      VAL  65 -20.240 -13.123  15.414
  431   HG22  VAL  65          HG22      VAL  65 -21.524 -13.901  14.490
  432   HG23  VAL  65          HG23      VAL  65 -21.928 -12.756  15.768
  433    H    GLU  66           HN       GLU  66 -24.421 -13.043  14.371
  434    HA   GLU  66           HA       GLU  66 -25.553 -10.846  15.963
  435    HB2  GLU  66           HB2      GLU  66 -26.860 -13.408  15.033
  436    HB3  GLU  66           HB1      GLU  66 -27.652 -12.106  15.907
  437    HG2  GLU  66           HG2      GLU  66 -26.437 -11.867  13.164
  438    HG3  GLU  66           HG1      GLU  66 -28.152 -12.080  13.505
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -3.607  -4.673 -14.863
    2    H2   GLY   1           HT2      GLY   1  -4.690  -5.962 -14.717
    3    H3   GLY   1           HT3      GLY   1  -4.067  -5.551 -16.235
    4    HA2  GLY   1           HA1      GLY   1  -2.981  -7.524 -15.379
    5    HA3  GLY   1           HA2      GLY   1  -1.855  -6.185 -15.550
    6    H    ALA   2           HN       ALA   2  -1.047  -8.123 -13.936
    7    HA   ALA   2           HA       ALA   2  -0.214  -8.550 -11.871
    8    HB1  ALA   2           HB1      ALA   2  -1.055  -5.727 -11.228
    9    HB2  ALA   2           HB2      ALA   2   0.473  -6.191 -11.975
   10    HB3  ALA   2           HB3      ALA   2   0.103  -6.707 -10.329
   11    H    MET   3           HN       MET   3  -3.055  -9.054 -12.472
   12    HA   MET   3           HA       MET   3  -4.151  -8.957  -9.738
   13    HB2  MET   3           HB2      MET   3  -5.420  -7.617 -11.375
   14    HB3  MET   3           HB1      MET   3  -5.645  -9.050 -12.366
   15    HG2  MET   3           HG2      MET   3  -6.925 -10.095 -10.567
   16    HG3  MET   3           HG1      MET   3  -6.700  -8.654  -9.577
   17    HE1  MET   3           HE1      MET   3  -8.685  -5.958 -11.620
   18    HE2  MET   3           HE2      MET   3  -6.981  -6.350 -11.838
   19    HE3  MET   3           HE3      MET   3  -7.665  -6.268 -10.215
   20    H    GLU   4           HN       GLU   4  -3.765 -10.885 -12.650
   21    HA   GLU   4           HA       GLU   4  -5.064 -13.197 -11.580
   22    HB2  GLU   4           HB2      GLU   4  -5.007 -12.735 -13.988
   23    HB3  GLU   4           HB1      GLU   4  -3.257 -12.893 -13.982
   24    HG2  GLU   4           HG2      GLU   4  -3.427 -15.228 -13.407
   25    HG3  GLU   4           HG1      GLU   4  -5.181 -15.094 -13.271
   26    H    GLY   5           HN       GLY   5  -1.751 -12.059 -11.828
   27    HA2  GLY   5           HA2      GLY   5  -0.512 -14.499 -11.067
   28    HA3  GLY   5           HA1      GLY   5   0.214 -12.900 -10.981
   29    H    GLN   6           HN       GLN   6   0.286 -15.172  -9.079
   30    HA   GLN   6           HA       GLN   6  -1.248 -14.337  -6.793
   31    HB2  GLN   6           HB2      GLN   6  -0.600 -16.710  -7.204
   32    HB3  GLN   6           HB1      GLN   6   1.078 -16.267  -6.932
   33    HG2  GLN   6           HG2      GLN   6   0.156 -17.295  -4.956
   34    HG3  GLN   6           HG1      GLN   6   0.524 -15.600  -4.641
   35   HE21  GLN   6          HE21      GLN   6  -0.907 -15.493  -2.924
   36   HE22  GLN   6          HE22      GLN   6  -2.624 -15.485  -3.146
   37    H    GLN   7           HN       GLN   7   1.965 -13.822  -8.054
   38    HA   GLN   7           HA       GLN   7   2.778 -12.377  -5.657
   39    HB2  GLN   7           HB2      GLN   7   4.941 -12.163  -6.693
   40    HB3  GLN   7           HB1      GLN   7   4.411 -13.829  -6.861
   41    HG2  GLN   7           HG2      GLN   7   3.886 -13.518  -9.155
   42    HG3  GLN   7           HG1      GLN   7   4.091 -11.773  -9.029
   43   HE21  GLN   7          HE21      GLN   7   6.508 -12.035  -7.375
   44   HE22  GLN   7          HE22      GLN   7   7.763 -12.514  -8.461
   45    H    ASN   8           HN       ASN   8   3.738 -10.185  -5.967
   46    HA   ASN   8           HA       ASN   8   2.385  -8.661  -8.089
   47    HB2  ASN   8           HB2      ASN   8   1.246  -8.382  -5.860
   48    HB3  ASN   8           HB1      ASN   8   2.748  -7.713  -5.235
   49   HD21  ASN   8          HD21      ASN   8  -0.004  -7.182  -7.247
   50   HD22  ASN   8          HD22      ASN   8   0.252  -5.492  -7.517
   51    H    LEU   9           HN       LEU   9   3.666  -7.202  -9.117
   52    HA   LEU   9           HA       LEU   9   6.478  -7.213  -8.562
   53    HB2  LEU   9           HB2      LEU   9   4.831  -5.607 -10.517
   54    HB3  LEU   9           HB1      LEU   9   6.580  -5.548 -10.431
   55    HG   LEU   9           HG       LEU   9   4.933  -7.980 -11.128
   56   HD11  LEU   9          HD11      LEU   9   6.698  -6.225 -12.828
   57   HD12  LEU   9          HD12      LEU   9   4.936  -6.297 -12.888
   58   HD13  LEU   9          HD13      LEU   9   5.892  -7.703 -13.355
   59   HD21  LEU   9          HD21      LEU   9   6.948  -8.634  -9.966
   60   HD22  LEU   9          HD22      LEU   9   7.919  -7.583 -10.997
   61   HD23  LEU   9          HD23      LEU   9   7.112  -8.992 -11.684
   62    H    ALA  10           HN       ALA  10   5.870  -6.424  -6.284
   63    HA   ALA  10           HA       ALA  10   5.647  -3.516  -6.128
   64    HB1  ALA  10           HB1      ALA  10   5.755  -5.587  -3.933
   65    HB2  ALA  10           HB2      ALA  10   4.292  -4.859  -4.594
   66    HB3  ALA  10           HB3      ALA  10   5.453  -3.865  -3.714
   67    HA   PRO  11           HA       PRO  11  10.055  -3.074  -5.813
   68    HB2  PRO  11           HB2      PRO  11  10.149  -0.556  -4.833
   69    HB3  PRO  11           HB1      PRO  11   9.708  -0.911  -6.506
   70    HG2  PRO  11           HG2      PRO  11   7.936  -0.313  -4.169
   71    HG3  PRO  11           HG1      PRO  11   7.833   0.289  -5.834
   72    HD2  PRO  11           HD2      PRO  11   6.287  -1.737  -4.906
   73    HD3  PRO  11           HD1      PRO  11   6.813  -1.627  -6.597
   74    H    GLY  12           HN       GLY  12   8.884  -4.540  -3.663
   75    HA2  GLY  12           HA2      GLY  12   9.360  -5.205  -1.520
   76    HA3  GLY  12           HA1      GLY  12  10.816  -4.229  -1.642
   77    H    ALA  13           HN       ALA  13  10.876  -3.120   0.211
   78    HA   ALA  13           HA       ALA  13   8.465  -1.926   1.291
   79    HB1  ALA  13           HB1      ALA  13  11.313  -1.810   2.282
   80    HB2  ALA  13           HB2      ALA  13  10.078  -2.951   2.814
   81    HB3  ALA  13           HB3      ALA  13   9.891  -1.231   3.149
   82    H    ARG  14           HN       ARG  14   8.224  -0.627  -0.707
   83    HA   ARG  14           HA       ARG  14   9.235   2.027  -0.229
   84    HB2  ARG  14           HB2      ARG  14  10.985   0.901  -1.670
   85    HB3  ARG  14           HB1      ARG  14   9.759   0.760  -2.923
   86    HG2  ARG  14           HG2      ARG  14   9.553   3.170  -3.036
   87    HG3  ARG  14           HG1      ARG  14  10.712   3.350  -1.718
   88    HD2  ARG  14           HD2      ARG  14  11.875   3.740  -3.761
   89    HD3  ARG  14           HD1      ARG  14  12.391   2.172  -3.143
   90    HE   ARG  14           HE       ARG  14  10.230   2.155  -5.088
   91   HH11  ARG  14          HH11      ARG  14  13.654   1.764  -4.480
   92   HH12  ARG  14          HH12      ARG  14  13.952   0.937  -5.974
   93   HH21  ARG  14          HH21      ARG  14  10.624   1.070  -7.055
   94   HH22  ARG  14          HH22      ARG  14  12.231   0.547  -7.444
   95    H    CYS  15           HN       CYS  15   7.778   3.511  -0.828
   96    HA   CYS  15           HA       CYS  15   5.243   2.602  -1.863
   97    HB2  CYS  15           HB2      CYS  15   5.106   4.117  -0.065
   98    HB3  CYS  15           HB1      CYS  15   6.333   5.169  -0.746
   99    H    GLY  16           HN       GLY  16   5.135   2.270  -3.986
  100    HA2  GLY  16           HA2      GLY  16   6.918   3.526  -5.829
  101    HA3  GLY  16           HA1      GLY  16   5.622   2.414  -6.228
  102    H    VAL  17           HN       VAL  17   4.164   4.712  -4.455
  103    HA   VAL  17           HA       VAL  17   3.028   5.979  -6.770
  104    HB   VAL  17           HB       VAL  17   2.598   6.699  -3.870
  105   HG11  VAL  17          HG11      VAL  17   0.905   7.173  -6.323
  106   HG12  VAL  17          HG12      VAL  17   1.818   8.392  -5.434
  107   HG13  VAL  17          HG13      VAL  17   0.450   7.584  -4.669
  108   HG21  VAL  17          HG21      VAL  17   0.628   5.236  -3.957
  109   HG22  VAL  17          HG22      VAL  17   2.127   4.336  -4.197
  110   HG23  VAL  17          HG23      VAL  17   1.095   4.716  -5.576
  111    H    CYS  18           HN       CYS  18   5.457   6.759  -4.389
  112    HA   CYS  18           HA       CYS  18   5.827   9.358  -5.723
  113    HB2  CYS  18           HB2      CYS  18   6.611  10.300  -3.616
  114    HB3  CYS  18           HB1      CYS  18   4.984   9.656  -3.429
  115    H    GLY  19           HN       GLY  19   7.349   6.554  -4.238
  116    HA2  GLY  19           HA2      GLY  19   9.349   5.694  -5.360
  117    HA3  GLY  19           HA1      GLY  19   9.884   7.361  -5.523
  118    H    ASP  20           HN       ASP  20   8.624   7.556  -2.643
  119    HA   ASP  20           HA       ASP  20  11.142   6.903  -1.305
  120    HB2  ASP  20           HB2      ASP  20  10.420   9.187  -1.005
  121    HB3  ASP  20           HB1      ASP  20   8.821   8.662  -0.488
  122    H    GLY  21           HN       GLY  21  11.227   5.655   0.570
  123    HA2  GLY  21           HA2      GLY  21   8.764   4.127   1.174
  124    HA3  GLY  21           HA1      GLY  21  10.358   3.384   1.117
  125    H    THR  22           HN       THR  22  10.270   6.536   2.418
  126    HA   THR  22           HA       THR  22  11.059   5.541   5.007
  127    HB   THR  22           HB       THR  22  10.557   8.422   4.254
  128    HG1  THR  22           HG1      THR  22  12.022   7.844   2.749
  129   HG21  THR  22          HG21      THR  22  10.910   7.975   6.638
  130   HG22  THR  22          HG22      THR  22  12.271   8.864   5.954
  131   HG23  THR  22          HG23      THR  22  12.414   7.133   6.263
  132    H    ASP  23           HN       ASP  23   9.845   5.477   6.823
  133    HA   ASP  23           HA       ASP  23   7.943   5.207   8.037
  134    HB2  ASP  23           HB2      ASP  23   8.234   7.691   8.191
  135    HB3  ASP  23           HB1      ASP  23   7.122   7.850   6.838
  136    H    VAL  24           HN       VAL  24   7.753   3.579   6.131
  137    HA   VAL  24           HA       VAL  24   5.536   4.193   4.355
  138    HB   VAL  24           HB       VAL  24   7.704   3.151   3.555
  139   HG11  VAL  24          HG11      VAL  24   6.547   0.679   4.810
  140   HG12  VAL  24          HG12      VAL  24   8.032   1.503   5.288
  141   HG13  VAL  24          HG13      VAL  24   7.923   0.728   3.708
  142   HG21  VAL  24          HG21      VAL  24   5.180   1.679   2.881
  143   HG22  VAL  24          HG22      VAL  24   6.627   1.823   1.878
  144   HG23  VAL  24          HG23      VAL  24   5.656   3.249   2.233
  145    H    LEU  25           HN       LEU  25   3.594   3.206   4.396
  146    HA   LEU  25           HA       LEU  25   2.962   1.710   6.813
  147    HB2  LEU  25           HB2      LEU  25   1.210   2.954   4.690
  148    HB3  LEU  25           HB1      LEU  25   0.598   2.073   6.079
  149    HG   LEU  25           HG       LEU  25   2.251   4.594   6.242
  150   HD11  LEU  25          HD11      LEU  25   0.159   5.684   6.883
  151   HD12  LEU  25          HD12      LEU  25  -0.716   4.187   6.563
  152   HD13  LEU  25          HD13      LEU  25   0.086   5.040   5.244
  153   HD21  LEU  25          HD21      LEU  25   1.535   4.600   8.586
  154   HD22  LEU  25          HD22      LEU  25   2.489   3.170   8.198
  155   HD23  LEU  25          HD23      LEU  25   0.735   3.049   8.341
  156    H    ARG  26           HN       ARG  26   1.909  -0.282   6.786
  157    HA   ARG  26           HA       ARG  26   2.284  -1.800   4.291
  158    HB2  ARG  26           HB2      ARG  26   2.423  -2.760   7.158
  159    HB3  ARG  26           HB1      ARG  26   2.602  -3.777   5.739
  160    HG2  ARG  26           HG2      ARG  26   4.436  -1.522   6.515
  161    HG3  ARG  26           HG1      ARG  26   4.752  -3.239   6.760
  162    HD2  ARG  26           HD2      ARG  26   4.454  -1.792   4.131
  163    HD3  ARG  26           HD1      ARG  26   5.921  -2.506   4.794
  164    HE   ARG  26           HE       ARG  26   3.626  -4.241   4.239
  165   HH11  ARG  26          HH11      ARG  26   6.918  -3.268   3.520
  166   HH12  ARG  26          HH12      ARG  26   7.201  -4.598   2.438
  167   HH21  ARG  26          HH21      ARG  26   4.015  -6.002   2.851
  168   HH22  ARG  26          HH22      ARG  26   5.555  -6.154   2.063
  169    H    CYS  27           HN       CYS  27   0.596  -2.957   3.514
  170    HA   CYS  27           HA       CYS  27  -2.014  -2.344   4.437
  171    HB2  CYS  27           HB2      CYS  27  -1.280  -2.961   2.045
  172    HB3  CYS  27           HB1      CYS  27  -1.358  -4.646   2.576
  173    H    THR  28           HN       THR  28  -3.398  -3.470   5.740
  174    HA   THR  28           HA       THR  28  -2.265  -5.682   7.244
  175    HB   THR  28           HB       THR  28  -4.320  -5.493   8.625
  176    HG1  THR  28           HG1      THR  28  -5.913  -4.158   8.069
  177   HG21  THR  28          HG21      THR  28  -2.889  -2.880   8.132
  178   HG22  THR  28          HG22      THR  28  -2.346  -4.173   9.201
  179   HG23  THR  28          HG23      THR  28  -3.823  -3.285   9.572
  180    H    HIS  29           HN       HIS  29  -4.200  -5.301   4.511
  181    HA   HIS  29           HA       HIS  29  -5.525  -7.889   4.899
  182    HB2  HIS  29           HB2      HIS  29  -6.002  -5.708   2.862
  183    HB3  HIS  29           HB1      HIS  29  -6.817  -7.266   2.834
  184    HD1  HIS  29           HD1      HIS  29  -8.976  -7.366   4.061
  185    HD2  HIS  29           HD2      HIS  29  -6.581  -4.228   5.370
  186    HE1  HIS  29           HE1      HIS  29 -10.393  -6.057   5.671
  187    HE2  HIS  29           HE2      HIS  29  -8.887  -4.237   6.540
  188    H    CYS  30           HN       CYS  30  -2.987  -6.357   3.140
  189    HA   CYS  30           HA       CYS  30  -2.242  -8.910   2.019
  190    HB2  CYS  30           HB2      CYS  30  -2.229  -8.320  -0.254
  191    HB3  CYS  30           HB1      CYS  30  -3.762  -7.681   0.325
  192    H    ALA  31           HN       ALA  31  -0.166  -8.176   0.446
  193    HA   ALA  31           HA       ALA  31   1.596  -6.860   2.367
  194    HB1  ALA  31           HB1      ALA  31   3.431  -7.995   1.225
  195    HB2  ALA  31           HB2      ALA  31   2.292  -8.667   0.057
  196    HB3  ALA  31           HB3      ALA  31   2.203  -9.148   1.751
  197    H    ALA  32           HN       ALA  32   1.997  -4.791   1.969
  198    HA   ALA  32           HA       ALA  32   2.931  -3.906  -0.587
  199    HB1  ALA  32           HB1      ALA  32   1.180  -2.261  -1.030
  200    HB2  ALA  32           HB2      ALA  32   0.267  -2.844   0.362
  201    HB3  ALA  32           HB3      ALA  32   0.517  -3.896  -1.030
  202    H    ALA  33           HN       ALA  33   4.132  -2.094  -0.401
  203    HA   ALA  33           HA       ALA  33   4.143  -0.706   2.207
  204    HB1  ALA  33           HB1      ALA  33   6.230  -1.905   1.624
  205    HB2  ALA  33           HB2      ALA  33   6.455  -0.165   1.789
  206    HB3  ALA  33           HB3      ALA  33   6.375  -0.894   0.186
  207    H    PHE  34           HN       PHE  34   3.115   1.174   2.094
  208    HA   PHE  34           HA       PHE  34   3.551   2.948  -0.164
  209    HB2  PHE  34           HB2      PHE  34   1.136   3.218  -0.597
  210    HB3  PHE  34           HB1      PHE  34   1.682   1.578  -0.932
  211    HD1  PHE  34           HD2      PHE  34   1.193  -0.229   0.747
  212    HD2  PHE  34           HD1      PHE  34  -0.565   3.640   0.964
  213    HE1  PHE  34           HE2      PHE  34  -0.561  -1.111   2.227
  214    HE2  PHE  34           HE1      PHE  34  -2.319   2.763   2.443
  215    HZ   PHE  34           HZ       PHE  34  -2.310   0.378   3.084
  216    H    HIS  35           HN       HIS  35   2.499   5.081   0.205
  217    HA   HIS  35           HA       HIS  35   2.282   5.676   3.077
  218    HB2  HIS  35           HB2      HIS  35   2.686   7.557   0.735
  219    HB3  HIS  35           HB1      HIS  35   2.587   8.044   2.422
  220    HD2  HIS  35           HD2      HIS  35   4.704   5.864   3.661
  221    HE1  HIS  35           HE1      HIS  35   7.350   7.624   0.864
  222    HE2  HIS  35           HE2      HIS  35   7.176   6.428   3.098
  223    H    TRP  36           HN       TRP  36   0.451   6.509   3.915
  224    HA   TRP  36           HA       TRP  36  -2.001   6.054   2.607
  225    HB2  TRP  36           HB2      TRP  36  -1.632   6.061   5.091
  226    HB3  TRP  36           HB1      TRP  36  -1.516   7.813   5.019
  227    HD1  TRP  36           HD1      TRP  36  -3.723   9.096   5.335
  228    HE1  TRP  36           HE1      TRP  36  -6.216   8.459   5.375
  229    HE3  TRP  36           HE3      TRP  36  -3.346   4.223   3.849
  230    HZ2  TRP  36           HZ2      TRP  36  -7.813   6.206   4.822
  231    HZ3  TRP  36           HZ3      TRP  36  -5.404   2.897   3.626
  232    HH2  TRP  36           HH2      TRP  36  -7.590   3.869   4.104
  233    H    ARG  37           HN       ARG  37  -0.016   8.917   3.021
  234    HA   ARG  37           HA       ARG  37  -1.908  10.797   2.050
  235    HB2  ARG  37           HB2      ARG  37   1.105  10.981   1.921
  236    HB3  ARG  37           HB1      ARG  37  -0.030  12.316   1.821
  237    HG2  ARG  37           HG2      ARG  37  -0.685  11.987   4.117
  238    HG3  ARG  37           HG1      ARG  37   0.349  10.561   4.233
  239    HD2  ARG  37           HD2      ARG  37   1.188  13.424   3.843
  240    HD3  ARG  37           HD1      ARG  37   1.529  12.381   5.222
  241    HE   ARG  37           HE       ARG  37   2.663  11.957   2.529
  242   HH11  ARG  37          HH11      ARG  37   2.972  11.911   6.015
  243   HH12  ARG  37          HH12      ARG  37   4.620  11.373   5.989
  244   HH21  ARG  37          HH21      ARG  37   4.831  11.274   2.487
  245   HH22  ARG  37          HH22      ARG  37   5.681  11.007   3.978
  246    H    CYS  38           HN       CYS  38   0.509   8.777   0.504
  247    HA   CYS  38           HA       CYS  38   0.303  10.029  -2.051
  248    HB2  CYS  38           HB2      CYS  38   1.464   7.362  -1.224
  249    HB3  CYS  38           HB1      CYS  38   1.610   8.056  -2.837
  250    H    HIS  39           HN       HIS  39  -1.477   7.608  -0.385
  251    HA   HIS  39           HA       HIS  39  -2.766   6.667  -2.827
  252    HB2  HIS  39           HB2      HIS  39  -2.714   5.768   0.014
  253    HB3  HIS  39           HB1      HIS  39  -4.123   5.360  -0.955
  254    HD1  HIS  39           HD1      HIS  39  -3.920   3.086  -1.826
  255    HD2  HIS  39           HD2      HIS  39  -0.241   5.013  -1.732
  256    HE1  HIS  39           HE1      HIS  39  -2.252   1.404  -2.686
  257    HE2  HIS  39           HE2      HIS  39  -0.066   2.646  -2.771
  258    H    PHE  40           HN       PHE  40  -3.701   8.148   0.266
  259    HA   PHE  40           HA       PHE  40  -6.228   8.984  -0.995
  260    HB2  PHE  40           HB2      PHE  40  -5.595   8.313   1.885
  261    HB3  PHE  40           HB1      PHE  40  -7.102   9.059   1.367
  262    HD1  PHE  40           HD1      PHE  40  -5.048   6.011   1.196
  263    HD2  PHE  40           HD2      PHE  40  -8.826   7.775   0.348
  264    HE1  PHE  40           HE1      PHE  40  -5.987   3.780   0.751
  265    HE2  PHE  40           HE2      PHE  40  -9.773   5.548  -0.095
  266    HZ   PHE  40           HZ       PHE  40  -8.365   3.549   0.122
  267    HA   PRO  41           HA       PRO  41  -4.958  13.177  -0.425
  268    HB2  PRO  41           HB2      PRO  41  -7.408  14.350  -0.224
  269    HB3  PRO  41           HB1      PRO  41  -6.722  13.799  -1.755
  270    HG2  PRO  41           HG2      PRO  41  -8.700  12.440   0.032
  271    HG3  PRO  41           HG1      PRO  41  -8.710  12.594  -1.734
  272    HD2  PRO  41           HD2      PRO  41  -7.904  10.341  -0.513
  273    HD3  PRO  41           HD1      PRO  41  -7.150  10.912  -2.016
  274    H    ALA  42           HN       ALA  42  -5.247  15.001   1.055
  275    HA   ALA  42           HA       ALA  42  -4.665  14.113   3.656
  276    HB1  ALA  42           HB1      ALA  42  -4.370  16.447   4.205
  277    HB2  ALA  42           HB2      ALA  42  -5.232  16.925   2.742
  278    HB3  ALA  42           HB3      ALA  42  -3.676  16.103   2.621
  279    H    GLY  43           HN       GLY  43  -7.697  14.818   2.261
  280    HA2  GLY  43           HA2      GLY  43  -8.938  15.560   4.781
  281    HA3  GLY  43           HA1      GLY  43  -9.749  15.381   3.234
  282    H    THR  44           HN       THR  44  -7.997  12.673   3.393
  283    HA   THR  44           HA       THR  44 -10.280  11.148   4.369
  284    HB   THR  44           HB       THR  44  -7.749  10.121   3.072
  285    HG1  THR  44           HG1      THR  44  -9.715  11.566   2.007
  286   HG21  THR  44          HG21      THR  44  -9.105   8.146   2.569
  287   HG22  THR  44          HG22      THR  44 -10.480   8.869   3.402
  288   HG23  THR  44          HG23      THR  44  -9.033   8.429   4.309
  289    H    SER  45           HN       SER  45 -10.325  10.096   6.242
  290    HA   SER  45           HA       SER  45  -8.008  10.206   7.999
  291    HB2  SER  45           HB2      SER  45 -10.341  10.819   8.762
  292    HB3  SER  45           HB1      SER  45 -10.780   9.125   8.571
  293    HG   SER  45           HG       SER  45  -9.722  10.253  10.673
  294    H    ARG  46           HN       ARG  46  -7.117   8.326   8.969
  295    HA   ARG  46           HA       ARG  46  -7.137   6.005   7.261
  296    HB2  ARG  46           HB2      ARG  46  -5.792   6.298   9.948
  297    HB3  ARG  46           HB1      ARG  46  -5.428   5.135   8.691
  298    HG2  ARG  46           HG2      ARG  46  -4.618   6.929   7.251
  299    HG3  ARG  46           HG1      ARG  46  -4.959   8.096   8.535
  300    HD2  ARG  46           HD2      ARG  46  -3.400   6.960  10.008
  301    HD3  ARG  46           HD1      ARG  46  -3.089   5.743   8.776
  302    HE   ARG  46           HE       ARG  46  -2.508   8.265   7.703
  303   HH11  ARG  46          HH11      ARG  46  -1.319   6.060  10.150
  304   HH12  ARG  46          HH12      ARG  46   0.319   6.613  10.038
  305   HH21  ARG  46          HH21      ARG  46  -0.347   8.981   7.533
  306   HH22  ARG  46          HH22      ARG  46   0.875   8.273   8.542
  307    HA   PRO  47           HA       PRO  47 -10.441   4.064   9.475
  308    HB2  PRO  47           HB2      PRO  47 -10.185   1.553   8.463
  309    HB3  PRO  47           HB1      PRO  47 -10.886   2.893   7.550
  310    HG2  PRO  47           HG2      PRO  47  -8.143   1.728   7.403
  311    HG3  PRO  47           HG1      PRO  47  -9.188   2.305   6.094
  312    HD2  PRO  47           HD2      PRO  47  -7.114   3.755   7.115
  313    HD3  PRO  47           HD1      PRO  47  -8.556   4.490   6.388
  314    H    GLY  48           HN       GLY  48 -10.556   3.231  11.471
  315    HA2  GLY  48           HA2      GLY  48  -8.159   2.366  12.787
  316    HA3  GLY  48           HA1      GLY  48  -9.759   2.480  13.505
  317    H    THR  49           HN       THR  49 -10.217   0.761  10.808
  318    HA   THR  49           HA       THR  49 -10.262  -1.749  12.252
  319    HB   THR  49           HB       THR  49 -11.367  -2.527  10.057
  320    HG1  THR  49           HG1      THR  49 -11.981  -0.960   8.642
  321   HG21  THR  49          HG21      THR  49 -12.669  -0.376  11.734
  322   HG22  THR  49          HG22      THR  49 -12.630  -2.102  12.097
  323   HG23  THR  49          HG23      THR  49 -13.521  -1.515  10.692
  324    H    GLY  50           HN       GLY  50  -8.015  -0.145  10.428
  325    HA2  GLY  50           HA2      GLY  50  -5.941  -1.645  10.315
  326    HA3  GLY  50           HA1      GLY  50  -6.945  -2.625   9.263
  327    H    LEU  51           HN       LEU  51  -4.416  -1.214   8.762
  328    HA   LEU  51           HA       LEU  51  -4.991   0.991   7.030
  329    HB2  LEU  51           HB2      LEU  51  -2.766   0.079   8.336
  330    HB3  LEU  51           HB1      LEU  51  -2.436  -0.438   6.696
  331    HG   LEU  51           HG       LEU  51  -1.406   1.726   7.193
  332   HD11  LEU  51          HD11      LEU  51  -2.267   2.976   5.274
  333   HD12  LEU  51          HD12      LEU  51  -3.662   1.898   5.207
  334   HD13  LEU  51          HD13      LEU  51  -2.042   1.266   4.906
  335   HD21  LEU  51          HD21      LEU  51  -2.738   3.702   7.595
  336   HD22  LEU  51          HD22      LEU  51  -3.063   2.497   8.842
  337   HD23  LEU  51          HD23      LEU  51  -4.220   2.750   7.536
  338    H    ARG  52           HN       ARG  52  -5.614   0.897   4.962
  339    HA   ARG  52           HA       ARG  52  -5.423  -1.706   3.591
  340    HB2  ARG  52           HB2      ARG  52  -7.625   0.358   3.422
  341    HB3  ARG  52           HB1      ARG  52  -7.530  -1.089   2.431
  342    HG2  ARG  52           HG2      ARG  52  -7.705  -2.473   4.436
  343    HG3  ARG  52           HG1      ARG  52  -7.814  -1.015   5.426
  344    HD2  ARG  52           HD2      ARG  52  -9.746  -1.821   3.255
  345    HD3  ARG  52           HD1      ARG  52 -10.019  -2.000   4.985
  346    HE   ARG  52           HE       ARG  52  -9.446   0.693   4.077
  347   HH11  ARG  52          HH11      ARG  52 -11.913  -1.678   4.825
  348   HH12  ARG  52          HH12      ARG  52 -13.154  -0.493   5.071
  349   HH21  ARG  52          HH21      ARG  52 -11.075   2.248   4.389
  350   HH22  ARG  52          HH22      ARG  52 -12.676   1.741   4.823
  351    H    CYS  53           HN       CYS  53  -4.457  -1.725   1.662
  352    HA   CYS  53           HA       CYS  53  -3.548   0.693   0.417
  353    HB2  CYS  53           HB2      CYS  53  -2.484  -0.706  -1.177
  354    HB3  CYS  53           HB1      CYS  53  -2.382  -1.583   0.346
  355    H    ARG  54           HN       ARG  54  -3.999   0.362  -2.283
  356    HA   ARG  54           HA       ARG  54  -6.520   1.612  -2.467
  357    HB2  ARG  54           HB2      ARG  54  -4.603   2.019  -4.004
  358    HB3  ARG  54           HB1      ARG  54  -4.873   0.433  -4.709
  359    HG2  ARG  54           HG2      ARG  54  -7.140   1.157  -5.368
  360    HG3  ARG  54           HG1      ARG  54  -6.764   2.768  -4.757
  361    HD2  ARG  54           HD2      ARG  54  -6.437   2.703  -7.150
  362    HD3  ARG  54           HD1      ARG  54  -4.884   2.900  -6.338
  363    HE   ARG  54           HE       ARG  54  -5.542   0.162  -6.920
  364   HH11  ARG  54          HH11      ARG  54  -4.128   3.098  -8.197
  365   HH12  ARG  54          HH12      ARG  54  -3.135   2.270  -9.356
  366   HH21  ARG  54          HH21      ARG  54  -4.240  -0.936  -8.448
  367   HH22  ARG  54          HH22      ARG  54  -3.209  -0.027  -9.504
  368    H    SER  55           HN       SER  55  -5.434  -1.577  -3.635
  369    HA   SER  55           HA       SER  55  -7.902  -2.307  -4.764
  370    HB2  SER  55           HB2      SER  55  -5.743  -4.157  -3.732
  371    HB3  SER  55           HB1      SER  55  -6.967  -4.532  -4.947
  372    HG   SER  55           HG       SER  55  -4.699  -3.809  -5.597
  373    H    CYS  56           HN       CYS  56  -6.534  -2.954  -1.554
  374    HA   CYS  56           HA       CYS  56  -8.678  -4.647  -0.749
  375    HB2  CYS  56           HB2      CYS  56  -6.630  -3.178   0.918
  376    HB3  CYS  56           HB1      CYS  56  -7.735  -4.402   1.531
  377    H    SER  57           HN       SER  57  -8.358  -1.254  -0.993
  378    HA   SER  57           HA       SER  57 -10.394  -0.669   0.981
  379    HB2  SER  57           HB2      SER  57  -8.998   1.105  -1.035
  380    HB3  SER  57           HB1      SER  57 -10.137   1.671   0.185
  381    HG   SER  57           HG       SER  57  -7.521   0.718   0.477
  382    H    GLY  58           HN       GLY  58 -10.455  -1.916  -2.074
  383    HA2  GLY  58           HA2      GLY  58 -12.613  -2.490  -2.999
  384    HA3  GLY  58           HA1      GLY  58 -13.205  -0.925  -2.462
  385    H    ASP  59           HN       ASP  59 -10.329  -0.097  -3.552
  386    HA   ASP  59           HA       ASP  59 -11.396   0.622  -6.168
  387    HB2  ASP  59           HB2      ASP  59  -9.053   1.622  -4.563
  388    HB3  ASP  59           HB1      ASP  59  -9.262   2.044  -6.259
  389    H    VAL  60           HN       VAL  60 -11.176  -1.722  -6.697
  390    HA   VAL  60           HA       VAL  60  -8.474  -2.567  -7.370
  391    HB   VAL  60           HB       VAL  60 -11.078  -3.998  -7.934
  392   HG11  VAL  60          HG11      VAL  60  -8.228  -4.979  -7.855
  393   HG12  VAL  60          HG12      VAL  60  -9.224  -4.772  -9.296
  394   HG13  VAL  60          HG13      VAL  60  -9.652  -5.990  -8.094
  395   HG21  VAL  60          HG21      VAL  60 -10.867  -3.640  -5.544
  396   HG22  VAL  60          HG22      VAL  60  -9.223  -4.279  -5.573
  397   HG23  VAL  60          HG23      VAL  60 -10.587  -5.339  -5.931
  398    H    THR  61           HN       THR  61  -7.639  -1.693  -9.158
  399    HA   THR  61           HA       THR  61  -9.195  -0.603 -11.258
  400    HB   THR  61           HB       THR  61  -6.986  -0.488 -12.484
  401    HG1  THR  61           HG1      THR  61  -6.291  -2.278 -10.657
  402   HG21  THR  61          HG21      THR  61  -6.045   1.214 -10.987
  403   HG22  THR  61          HG22      THR  61  -7.077   0.632  -9.680
  404   HG23  THR  61          HG23      THR  61  -7.798   1.364 -11.114
  405    HA   PRO  62           HA       PRO  62  -9.859  -4.554 -13.265
  406    HB2  PRO  62           HB2      PRO  62 -11.800  -3.763 -14.924
  407    HB3  PRO  62           HB1      PRO  62 -12.087  -3.934 -13.188
  408    HG2  PRO  62           HG2      PRO  62 -11.584  -1.460 -14.790
  409    HG3  PRO  62           HG1      PRO  62 -12.740  -1.727 -13.474
  410    HD2  PRO  62           HD2      PRO  62 -10.290  -0.499 -13.173
  411    HD3  PRO  62           HD1      PRO  62 -11.180  -1.301 -11.863
  412    H    ALA  63           HN       ALA  63  -9.216  -5.486 -15.167
  413    HA   ALA  63           HA       ALA  63  -7.915  -3.693 -17.101
  414    HB1  ALA  63           HB1      ALA  63  -7.313  -6.584 -16.504
  415    HB2  ALA  63           HB2      ALA  63  -6.377  -5.198 -15.943
  416    HB3  ALA  63           HB3      ALA  63  -6.463  -5.565 -17.666
  417    HA   PRO  64           HA       PRO  64 -10.856  -5.262 -20.115
  418    HB2  PRO  64           HB2      PRO  64  -9.028  -4.232 -22.154
  419    HB3  PRO  64           HB1      PRO  64 -10.668  -3.708 -21.763
  420    HG2  PRO  64           HG2      PRO  64  -8.498  -2.187 -21.233
  421    HG3  PRO  64           HG1      PRO  64  -9.948  -2.169 -20.212
  422    HD2  PRO  64           HD2      PRO  64  -7.340  -3.582 -19.776
  423    HD3  PRO  64           HD1      PRO  64  -8.351  -2.693 -18.617
  424    H    VAL  65           HN       VAL  65  -9.905  -7.394 -19.350
  425    HA   VAL  65           HA       VAL  65  -8.229  -8.576 -21.463
  426    HB   VAL  65           HB       VAL  65  -6.883  -8.345 -19.460
  427   HG11  VAL  65          HG11      VAL  65  -8.633  -8.211 -17.789
  428   HG12  VAL  65          HG12      VAL  65  -7.483  -9.479 -17.364
  429   HG13  VAL  65          HG13      VAL  65  -9.048  -9.903 -18.056
  430   HG21  VAL  65          HG21      VAL  65  -6.462 -10.316 -20.769
  431   HG22  VAL  65          HG22      VAL  65  -7.757 -11.187 -19.947
  432   HG23  VAL  65          HG23      VAL  65  -6.307 -10.720 -19.059
  433    H    GLU  66           HN       GLU  66  -8.824 -10.539 -22.241
  434    HA   GLU  66           HA       GLU  66 -11.264 -11.739 -21.115
  435    HB2  GLU  66           HB2      GLU  66 -10.521 -11.438 -24.032
  436    HB3  GLU  66           HB1      GLU  66 -11.917 -12.326 -23.435
  437    HG2  GLU  66           HG2      GLU  66 -12.870 -10.296 -22.540
  438    HG3  GLU  66           HG1      GLU  66 -11.437  -9.386 -23.017
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  34.538  -6.577  -4.954
    2    H2   GLY   1           HT2      GLY   1  35.749  -6.290  -6.093
    3    H3   GLY   1           HT3      GLY   1  34.290  -5.440  -6.180
    4    HA2  GLY   1           HA1      GLY   1  36.325  -5.221  -4.035
    5    HA3  GLY   1           HA2      GLY   1  36.006  -4.027  -5.287
    6    H    ALA   2           HN       ALA   2  35.538  -4.663  -2.154
    7    HA   ALA   2           HA       ALA   2  34.292  -3.750  -0.505
    8    HB1  ALA   2           HB1      ALA   2  32.912  -1.799  -0.913
    9    HB2  ALA   2           HB2      ALA   2  32.993  -2.079  -2.651
   10    HB3  ALA   2           HB3      ALA   2  34.451  -1.648  -1.761
   11    H    MET   3           HN       MET   3  31.925  -3.739  -3.164
   12    HA   MET   3           HA       MET   3  30.547  -5.983  -1.904
   13    HB2  MET   3           HB2      MET   3  28.349  -4.850  -2.146
   14    HB3  MET   3           HB1      MET   3  29.389  -4.076  -0.960
   15    HG2  MET   3           HG2      MET   3  29.950  -2.338  -2.560
   16    HG3  MET   3           HG1      MET   3  28.962  -3.128  -3.784
   17    HE1  MET   3           HE1      MET   3  26.335  -3.358  -3.640
   18    HE2  MET   3           HE2      MET   3  25.355  -2.709  -2.326
   19    HE3  MET   3           HE3      MET   3  26.426  -4.077  -2.032
   20    H    GLU   4           HN       GLU   4  30.180  -7.464  -3.405
   21    HA   GLU   4           HA       GLU   4  30.540  -6.777  -6.185
   22    HB2  GLU   4           HB2      GLU   4  30.504  -9.133  -6.642
   23    HB3  GLU   4           HB1      GLU   4  31.492  -8.865  -5.216
   24    HG2  GLU   4           HG2      GLU   4  28.627  -9.784  -5.148
   25    HG3  GLU   4           HG1      GLU   4  30.022 -10.856  -5.089
   26    H    GLY   5           HN       GLY   5  27.914  -7.698  -4.058
   27    HA2  GLY   5           HA2      GLY   5  25.858  -6.411  -5.035
   28    HA3  GLY   5           HA1      GLY   5  26.046  -7.600  -6.314
   29    H    GLN   6           HN       GLN   6  24.578  -6.909  -3.409
   30    HA   GLN   6           HA       GLN   6  23.890  -9.741  -3.022
   31    HB2  GLN   6           HB2      GLN   6  23.160  -8.956  -0.697
   32    HB3  GLN   6           HB1      GLN   6  24.881  -9.053  -1.014
   33    HG2  GLN   6           HG2      GLN   6  24.623  -7.059   0.147
   34    HG3  GLN   6           HG1      GLN   6  24.763  -6.564  -1.536
   35   HE21  GLN   6          HE21      GLN   6  21.878  -7.954  -0.107
   36   HE22  GLN   6          HE22      GLN   6  20.910  -6.529  -0.226
   37    H    GLN   7           HN       GLN   7  22.802  -7.041  -4.430
   38    HA   GLN   7           HA       GLN   7  20.056  -7.077  -3.574
   39    HB2  GLN   7           HB2      GLN   7  21.247  -5.033  -4.446
   40    HB3  GLN   7           HB1      GLN   7  21.231  -5.775  -6.040
   41    HG2  GLN   7           HG2      GLN   7  18.764  -5.828  -5.950
   42    HG3  GLN   7           HG1      GLN   7  18.831  -4.987  -4.403
   43   HE21  GLN   7          HE21      GLN   7  21.134  -3.358  -5.273
   44   HE22  GLN   7          HE22      GLN   7  20.478  -2.166  -6.339
   45    H    ASN   8           HN       ASN   8  20.112  -9.500  -3.976
   46    HA   ASN   8           HA       ASN   8  19.910 -10.487  -6.639
   47    HB2  ASN   8           HB2      ASN   8  18.869 -11.653  -4.044
   48    HB3  ASN   8           HB1      ASN   8  18.967 -12.515  -5.574
   49   HD21  ASN   8          HD21      ASN   8  20.208 -13.064  -2.986
   50   HD22  ASN   8          HD22      ASN   8  21.909 -13.148  -3.290
   51    H    LEU   9           HN       LEU   9  17.597  -9.544  -4.167
   52    HA   LEU   9           HA       LEU   9  15.432  -9.630  -6.137
   53    HB2  LEU   9           HB2      LEU   9  14.906 -10.761  -4.081
   54    HB3  LEU   9           HB1      LEU   9  15.444  -9.392  -3.129
   55    HG   LEU   9           HG       LEU   9  13.552  -8.062  -4.058
   56   HD11  LEU   9          HD11      LEU   9  13.179  -9.284  -6.116
   57   HD12  LEU   9          HD12      LEU   9  11.710  -9.266  -5.140
   58   HD13  LEU   9          HD13      LEU   9  12.710 -10.717  -5.203
   59   HD21  LEU   9          HD21      LEU   9  11.829  -9.159  -2.708
   60   HD22  LEU   9          HD22      LEU   9  13.385  -9.113  -1.879
   61   HD23  LEU   9          HD23      LEU   9  12.827 -10.610  -2.624
   62    H    ALA  10           HN       ALA  10  14.984  -7.800  -7.158
   63    HA   ALA  10           HA       ALA  10  15.985  -5.267  -6.392
   64    HB1  ALA  10           HB1      ALA  10  13.707  -5.923  -8.262
   65    HB2  ALA  10           HB2      ALA  10  15.409  -5.813  -8.712
   66    HB3  ALA  10           HB3      ALA  10  14.548  -4.377  -8.156
   67    HA   PRO  11           HA       PRO  11  13.091  -4.476  -3.072
   68    HB2  PRO  11           HB2      PRO  11  13.970  -1.676  -3.491
   69    HB3  PRO  11           HB1      PRO  11  13.997  -2.656  -2.022
   70    HG2  PRO  11           HG2      PRO  11  16.247  -2.116  -3.337
   71    HG3  PRO  11           HG1      PRO  11  15.980  -3.708  -2.600
   72    HD2  PRO  11           HD2      PRO  11  15.755  -2.886  -5.473
   73    HD3  PRO  11           HD1      PRO  11  16.436  -4.369  -4.770
   74    H    GLY  12           HN       GLY  12  11.234  -4.890  -4.363
   75    HA2  GLY  12           HA2      GLY  12  10.052  -2.613  -5.773
   76    HA3  GLY  12           HA1      GLY  12   9.460  -4.269  -5.794
   77    H    ALA  13           HN       ALA  13   9.916  -4.223  -2.760
   78    HA   ALA  13           HA       ALA  13   7.286  -3.308  -2.037
   79    HB1  ALA  13           HB1      ALA  13   8.233  -5.308  -0.989
   80    HB2  ALA  13           HB2      ALA  13   7.867  -4.074   0.217
   81    HB3  ALA  13           HB3      ALA  13   9.531  -4.336  -0.297
   82    H    ARG  14           HN       ARG  14   7.654  -1.134  -2.753
   83    HA   ARG  14           HA       ARG  14   8.486   0.659  -0.668
   84    HB2  ARG  14           HB2      ARG  14  10.642   0.063  -1.798
   85    HB3  ARG  14           HB1      ARG  14   9.976   0.666  -3.307
   86    HG2  ARG  14           HG2      ARG  14   9.768   2.900  -2.294
   87    HG3  ARG  14           HG1      ARG  14  10.521   2.274  -0.823
   88    HD2  ARG  14           HD2      ARG  14  12.493   1.623  -2.169
   89    HD3  ARG  14           HD1      ARG  14  11.746   2.376  -3.574
   90    HE   ARG  14           HE       ARG  14  12.109   4.079  -1.253
   91   HH11  ARG  14          HH11      ARG  14  13.347   2.988  -4.333
   92   HH12  ARG  14          HH12      ARG  14  14.389   4.357  -4.546
   93   HH21  ARG  14          HH21      ARG  14  13.499   5.886  -1.518
   94   HH22  ARG  14          HH22      ARG  14  14.477   6.005  -2.947
   95    H    CYS  15           HN       CYS  15   7.514   2.665  -0.958
   96    HA   CYS  15           HA       CYS  15   5.304   2.713  -2.760
   97    HB2  CYS  15           HB2      CYS  15   5.199   3.705  -0.527
   98    HB3  CYS  15           HB1      CYS  15   6.469   4.841  -0.960
   99    H    GLY  16           HN       GLY  16   5.763   2.892  -4.869
  100    HA2  GLY  16           HA2      GLY  16   7.857   4.654  -5.824
  101    HA3  GLY  16           HA1      GLY  16   6.827   3.621  -6.804
  102    H    VAL  17           HN       VAL  17   4.650   4.997  -4.967
  103    HA   VAL  17           HA       VAL  17   3.684   6.803  -6.881
  104    HB   VAL  17           HB       VAL  17   3.031   6.789  -3.929
  105   HG11  VAL  17          HG11      VAL  17   2.253   8.786  -5.083
  106   HG12  VAL  17          HG12      VAL  17   0.893   7.755  -4.638
  107   HG13  VAL  17          HG13      VAL  17   1.466   7.790  -6.305
  108   HG21  VAL  17          HG21      VAL  17   1.160   5.315  -4.532
  109   HG22  VAL  17          HG22      VAL  17   2.721   4.569  -4.865
  110   HG23  VAL  17          HG23      VAL  17   1.765   5.238  -6.186
  111    H    CYS  18           HN       CYS  18   5.438   7.365  -3.836
  112    HA   CYS  18           HA       CYS  18   5.891  10.128  -4.706
  113    HB2  CYS  18           HB2      CYS  18   6.605  10.588  -2.408
  114    HB3  CYS  18           HB1      CYS  18   4.990   9.892  -2.435
  115    H    GLY  19           HN       GLY  19   7.448   7.089  -4.061
  116    HA2  GLY  19           HA2      GLY  19   9.470   6.488  -5.165
  117    HA3  GLY  19           HA1      GLY  19   9.923   8.187  -5.196
  118    H    ASP  20           HN       ASP  20   8.605   6.753  -2.340
  119    HA   ASP  20           HA       ASP  20  11.236   6.586  -1.091
  120    HB2  ASP  20           HB2      ASP  20  10.576   8.889  -0.719
  121    HB3  ASP  20           HB1      ASP  20   8.996   8.380  -0.137
  122    H    GLY  21           HN       GLY  21  11.304   5.283   0.747
  123    HA2  GLY  21           HA2      GLY  21   8.806   3.814   1.347
  124    HA3  GLY  21           HA1      GLY  21  10.373   3.021   1.234
  125    H    THR  22           HN       THR  22  10.383   6.144   2.606
  126    HA   THR  22           HA       THR  22  11.280   5.081   5.132
  127    HB   THR  22           HB       THR  22  10.806   7.981   4.435
  128    HG1  THR  22           HG1      THR  22  12.227   7.493   2.893
  129   HG21  THR  22          HG21      THR  22  11.255   7.474   6.800
  130   HG22  THR  22          HG22      THR  22  12.574   8.384   6.067
  131   HG23  THR  22          HG23      THR  22  12.744   6.650   6.335
  132    H    ASP  23           HN       ASP  23   9.980   4.636   6.779
  133    HA   ASP  23           HA       ASP  23   8.109   4.405   8.044
  134    HB2  ASP  23           HB2      ASP  23   8.066   7.362   7.474
  135    HB3  ASP  23           HB1      ASP  23   6.844   6.599   8.487
  136    H    VAL  24           HN       VAL  24   7.710   3.369   5.715
  137    HA   VAL  24           HA       VAL  24   5.391   4.518   4.397
  138    HB   VAL  24           HB       VAL  24   7.375   3.538   3.158
  139   HG11  VAL  24          HG11      VAL  24   7.738   1.560   4.501
  140   HG12  VAL  24          HG12      VAL  24   7.430   1.121   2.821
  141   HG13  VAL  24          HG13      VAL  24   6.161   0.930   4.029
  142   HG21  VAL  24          HG21      VAL  24   4.666   2.407   2.522
  143   HG22  VAL  24          HG22      VAL  24   6.020   2.548   1.401
  144   HG23  VAL  24          HG23      VAL  24   5.265   4.000   2.059
  145    H    LEU  25           HN       LEU  25   3.388   3.492   4.272
  146    HA   LEU  25           HA       LEU  25   2.825   1.749   6.523
  147    HB2  LEU  25           HB2      LEU  25   0.982   3.107   4.553
  148    HB3  LEU  25           HB1      LEU  25   0.452   2.160   5.932
  149    HG   LEU  25           HG       LEU  25   2.050   4.718   6.078
  150   HD11  LEU  25          HD11      LEU  25   0.007   5.708   6.952
  151   HD12  LEU  25          HD12      LEU  25  -0.845   4.182   6.717
  152   HD13  LEU  25          HD13      LEU  25  -0.244   5.079   5.323
  153   HD21  LEU  25          HD21      LEU  25   0.852   2.992   8.239
  154   HD22  LEU  25          HD22      LEU  25   1.551   4.591   8.488
  155   HD23  LEU  25          HD23      LEU  25   2.568   3.262   7.935
  156    H    ARG  26           HN       ARG  26   1.526  -0.160   6.278
  157    HA   ARG  26           HA       ARG  26   1.947  -1.512   3.688
  158    HB2  ARG  26           HB2      ARG  26   1.973  -2.945   6.340
  159    HB3  ARG  26           HB1      ARG  26   2.589  -3.501   4.793
  160    HG2  ARG  26           HG2      ARG  26   3.803  -1.305   6.461
  161    HG3  ARG  26           HG1      ARG  26   4.373  -2.971   6.393
  162    HD2  ARG  26           HD2      ARG  26   4.227  -1.110   4.027
  163    HD3  ARG  26           HD1      ARG  26   5.678  -1.402   4.980
  164    HE   ARG  26           HE       ARG  26   4.308  -3.608   3.596
  165   HH11  ARG  26          HH11      ARG  26   7.189  -1.700   4.187
  166   HH12  ARG  26          HH12      ARG  26   8.211  -2.719   3.230
  167   HH21  ARG  26          HH21      ARG  26   5.653  -4.947   2.333
  168   HH22  ARG  26          HH22      ARG  26   7.337  -4.568   2.181
  169    H    CYS  27           HN       CYS  27   0.254  -3.031   3.097
  170    HA   CYS  27           HA       CYS  27  -2.307  -2.405   4.191
  171    HB2  CYS  27           HB2      CYS  27  -2.038  -3.233   1.832
  172    HB3  CYS  27           HB1      CYS  27  -1.658  -4.839   2.476
  173    H    THR  28           HN       THR  28  -3.515  -3.459   5.688
  174    HA   THR  28           HA       THR  28  -2.117  -5.237   7.473
  175    HB   THR  28           HB       THR  28  -4.324  -5.202   8.727
  176    HG1  THR  28           HG1      THR  28  -5.011  -3.038   7.033
  177   HG21  THR  28          HG21      THR  28  -2.474  -3.708   9.306
  178   HG22  THR  28          HG22      THR  28  -4.026  -2.895   9.509
  179   HG23  THR  28          HG23      THR  28  -3.025  -2.547   8.098
  180    H    HIS  29           HN       HIS  29  -3.957  -5.635   4.701
  181    HA   HIS  29           HA       HIS  29  -4.636  -8.406   5.442
  182    HB2  HIS  29           HB2      HIS  29  -6.013  -6.526   3.526
  183    HB3  HIS  29           HB1      HIS  29  -6.350  -8.251   3.590
  184    HD1  HIS  29           HD1      HIS  29  -7.953  -9.052   5.363
  185    HD2  HIS  29           HD2      HIS  29  -6.810  -5.091   5.902
  186    HE1  HIS  29           HE1      HIS  29  -9.452  -8.155   7.168
  187    HE2  HIS  29           HE2      HIS  29  -8.723  -5.769   7.505
  188    H    CYS  30           HN       CYS  30  -2.598  -6.526   3.603
  189    HA   CYS  30           HA       CYS  30  -1.871  -8.832   1.951
  190    HB2  CYS  30           HB2      CYS  30  -1.942  -6.051   0.791
  191    HB3  CYS  30           HB1      CYS  30  -1.677  -7.568  -0.056
  192    H    ALA  31           HN       ALA  31   0.241  -8.209   0.739
  193    HA   ALA  31           HA       ALA  31   2.008  -6.775   2.580
  194    HB1  ALA  31           HB1      ALA  31   2.668  -9.092   2.109
  195    HB2  ALA  31           HB2      ALA  31   3.853  -7.948   1.482
  196    HB3  ALA  31           HB3      ALA  31   2.713  -8.727   0.385
  197    H    ALA  32           HN       ALA  32   2.301  -4.717   1.991
  198    HA   ALA  32           HA       ALA  32   3.192  -4.026  -0.636
  199    HB1  ALA  32           HB1      ALA  32   1.347  -2.492  -1.204
  200    HB2  ALA  32           HB2      ALA  32   0.444  -3.082   0.191
  201    HB3  ALA  32           HB3      ALA  32   0.817  -4.173  -1.142
  202    H    ALA  33           HN       ALA  33   4.141  -2.012  -0.689
  203    HA   ALA  33           HA       ALA  33   4.194  -0.545   1.871
  204    HB1  ALA  33           HB1      ALA  33   6.352  -1.499   1.264
  205    HB2  ALA  33           HB2      ALA  33   6.404   0.263   1.193
  206    HB3  ALA  33           HB3      ALA  33   6.290  -0.677  -0.295
  207    H    PHE  34           HN       PHE  34   2.968   1.192   1.800
  208    HA   PHE  34           HA       PHE  34   3.276   3.130  -0.319
  209    HB2  PHE  34           HB2      PHE  34   0.858   3.222  -0.845
  210    HB3  PHE  34           HB1      PHE  34   1.574   1.681  -1.303
  211    HD1  PHE  34           HD2      PHE  34   1.100  -0.345   0.015
  212    HD2  PHE  34           HD1      PHE  34  -0.836   3.358   0.826
  213    HE1  PHE  34           HE2      PHE  34  -0.603  -1.526   1.334
  214    HE2  PHE  34           HE1      PHE  34  -2.541   2.178   2.145
  215    HZ   PHE  34           HZ       PHE  34  -2.425  -0.265   2.402
  216    H    HIS  35           HN       HIS  35   2.706   5.197   0.371
  217    HA   HIS  35           HA       HIS  35   2.080   5.466   3.193
  218    HB2  HIS  35           HB2      HIS  35   2.597   7.590   1.097
  219    HB3  HIS  35           HB1      HIS  35   2.361   7.900   2.813
  220    HD2  HIS  35           HD2      HIS  35   4.540   7.357   4.446
  221    HE1  HIS  35           HE1      HIS  35   7.167   6.472   1.239
  222    HE2  HIS  35           HE2      HIS  35   6.974   6.741   3.765
  223    H    TRP  36           HN       TRP  36   0.264   6.680   3.966
  224    HA   TRP  36           HA       TRP  36  -2.137   5.970   2.689
  225    HB2  TRP  36           HB2      TRP  36  -1.861   6.381   5.143
  226    HB3  TRP  36           HB1      TRP  36  -1.766   8.104   4.799
  227    HD1  TRP  36           HD1      TRP  36  -3.991   9.351   4.955
  228    HE1  TRP  36           HE1      TRP  36  -6.475   8.692   4.921
  229    HE3  TRP  36           HE3      TRP  36  -3.496   4.366   3.945
  230    HZ2  TRP  36           HZ2      TRP  36  -8.026   6.369   4.500
  231    HZ3  TRP  36           HZ3      TRP  36  -5.528   2.994   3.739
  232    HH2  TRP  36           HH2      TRP  36  -7.746   3.977   4.012
  233    H    ARG  37           HN       ARG  37  -0.520   9.118   3.011
  234    HA   ARG  37           HA       ARG  37  -2.466  10.546   1.515
  235    HB2  ARG  37           HB2      ARG  37   0.389  11.249   2.189
  236    HB3  ARG  37           HB1      ARG  37  -0.782  12.363   1.496
  237    HG2  ARG  37           HG2      ARG  37  -2.195  12.098   3.480
  238    HG3  ARG  37           HG1      ARG  37  -0.993  11.004   4.172
  239    HD2  ARG  37           HD2      ARG  37  -0.793  13.298   5.044
  240    HD3  ARG  37           HD1      ARG  37   0.654  12.768   4.189
  241    HE   ARG  37           HE       ARG  37  -1.122  14.163   2.462
  242   HH11  ARG  37          HH11      ARG  37   1.287  14.619   4.951
  243   HH12  ARG  37          HH12      ARG  37   1.710  16.216   4.427
  244   HH21  ARG  37          HH21      ARG  37  -0.552  16.243   1.741
  245   HH22  ARG  37          HH22      ARG  37   0.660  17.146   2.593
  246    H    CYS  38           HN       CYS  38   0.071   8.502   0.573
  247    HA   CYS  38           HA       CYS  38   0.422   9.638  -2.050
  248    HB2  CYS  38           HB2      CYS  38   1.298   6.970  -0.918
  249    HB3  CYS  38           HB1      CYS  38   1.780   7.614  -2.486
  250    H    HIS  39           HN       HIS  39  -1.745   7.495  -0.501
  251    HA   HIS  39           HA       HIS  39  -2.777   6.520  -3.073
  252    HB2  HIS  39           HB2      HIS  39  -2.920   5.514  -0.272
  253    HB3  HIS  39           HB1      HIS  39  -4.264   5.152  -1.348
  254    HD1  HIS  39           HD1      HIS  39  -3.868   2.713  -1.717
  255    HD2  HIS  39           HD2      HIS  39  -0.484   5.009  -2.450
  256    HE1  HIS  39           HE1      HIS  39  -2.169   1.126  -2.676
  257    HE2  HIS  39           HE2      HIS  39  -0.195   2.569  -3.268
  258    H    PHE  40           HN       PHE  40  -3.682   8.280  -0.165
  259    HA   PHE  40           HA       PHE  40  -6.215   9.048  -1.460
  260    HB2  PHE  40           HB2      PHE  40  -5.722   8.441   1.465
  261    HB3  PHE  40           HB1      PHE  40  -7.216   9.114   0.823
  262    HD1  PHE  40           HD2      PHE  40  -8.660   7.749  -0.624
  263    HD2  PHE  40           HD1      PHE  40  -5.224   6.125   1.283
  264    HE1  PHE  40           HE2      PHE  40  -9.519   5.480  -1.025
  265    HE2  PHE  40           HE1      PHE  40  -6.074   3.851   0.883
  266    HZ   PHE  40           HZ       PHE  40  -8.224   3.527  -0.270
  267    HA   PRO  41           HA       PRO  41  -5.055  13.260  -0.499
  268    HB2  PRO  41           HB2      PRO  41  -7.840  13.884   0.164
  269    HB3  PRO  41           HB1      PRO  41  -6.864  14.459  -1.189
  270    HG2  PRO  41           HG2      PRO  41  -8.922  12.750  -1.526
  271    HG3  PRO  41           HG1      PRO  41  -7.474  12.707  -2.548
  272    HD2  PRO  41           HD2      PRO  41  -8.208  10.958  -0.228
  273    HD3  PRO  41           HD1      PRO  41  -7.483  10.513  -1.788
  274    H    ALA  42           HN       ALA  42  -5.024  14.799   1.257
  275    HA   ALA  42           HA       ALA  42  -4.607  13.542   3.745
  276    HB1  ALA  42           HB1      ALA  42  -4.134  15.779   4.592
  277    HB2  ALA  42           HB2      ALA  42  -4.822  16.485   3.131
  278    HB3  ALA  42           HB3      ALA  42  -3.355  15.513   3.034
  279    H    GLY  43           HN       GLY  43  -7.416  14.880   2.325
  280    HA2  GLY  43           HA2      GLY  43  -8.829  15.508   4.726
  281    HA3  GLY  43           HA1      GLY  43  -9.530  15.302   3.128
  282    H    THR  44           HN       THR  44  -7.996  12.568   3.250
  283    HA   THR  44           HA       THR  44 -10.239  11.099   4.374
  284    HB   THR  44           HB       THR  44  -7.757  10.010   3.020
  285    HG1  THR  44           HG1      THR  44  -9.634  11.502   1.949
  286   HG21  THR  44          HG21      THR  44 -10.500   8.800   3.422
  287   HG22  THR  44          HG22      THR  44  -9.050   8.369   4.329
  288   HG23  THR  44          HG23      THR  44  -9.136   8.041   2.599
  289    H    SER  45           HN       SER  45 -10.124   9.810   6.189
  290    HA   SER  45           HA       SER  45  -7.894  10.357   7.971
  291    HB2  SER  45           HB2      SER  45 -10.429   8.783   8.496
  292    HB3  SER  45           HB1      SER  45  -9.298   9.392   9.705
  293    HG   SER  45           HG       SER  45 -10.102  11.407   8.117
  294    H    ARG  46           HN       ARG  46  -6.442   8.865   8.691
  295    HA   ARG  46           HA       ARG  46  -6.340   6.377   7.183
  296    HB2  ARG  46           HB2      ARG  46  -4.020   6.228   8.109
  297    HB3  ARG  46           HB1      ARG  46  -4.320   7.632   7.104
  298    HG2  ARG  46           HG2      ARG  46  -4.536   9.029   9.072
  299    HG3  ARG  46           HG1      ARG  46  -4.313   7.623  10.114
  300    HD2  ARG  46           HD2      ARG  46  -2.277   8.574   8.109
  301    HD3  ARG  46           HD1      ARG  46  -2.280   9.041   9.808
  302    HE   ARG  46           HE       ARG  46  -2.337   6.211   9.491
  303   HH11  ARG  46          HH11      ARG  46  -0.212   8.989   9.402
  304   HH12  ARG  46          HH12      ARG  46   1.201   8.082   9.840
  305   HH21  ARG  46          HH21      ARG  46  -0.488   5.015  10.085
  306   HH22  ARG  46          HH22      ARG  46   1.045   5.820  10.235
  307    HA   PRO  47           HA       PRO  47  -7.779   4.136  10.802
  308    HB2  PRO  47           HB2      PRO  47  -7.291   1.745   9.204
  309    HB3  PRO  47           HB1      PRO  47  -8.821   2.387   9.805
  310    HG2  PRO  47           HG2      PRO  47  -8.147   2.388   7.177
  311    HG3  PRO  47           HG1      PRO  47  -9.206   3.605   7.908
  312    HD2  PRO  47           HD2      PRO  47  -6.313   3.799   7.176
  313    HD3  PRO  47           HD1      PRO  47  -7.605   5.012   7.027
  314    H    GLY  48           HN       GLY  48  -6.673   3.269  12.454
  315    HA2  GLY  48           HA2      GLY  48  -3.819   3.045  12.241
  316    HA3  GLY  48           HA1      GLY  48  -4.782   2.803  13.690
  317    H    THR  49           HN       THR  49  -6.440   0.757  12.922
  318    HA   THR  49           HA       THR  49  -4.475  -1.411  12.854
  319    HB   THR  49           HB       THR  49  -7.314  -1.974  13.513
  320    HG1  THR  49           HG1      THR  49  -7.002  -1.126  15.635
  321   HG21  THR  49          HG21      THR  49  -4.671  -2.732  14.753
  322   HG22  THR  49          HG22      THR  49  -5.595  -3.709  13.611
  323   HG23  THR  49          HG23      THR  49  -6.245  -3.378  15.217
  324    H    GLY  50           HN       GLY  50  -6.906   0.035  10.967
  325    HA2  GLY  50           HA2      GLY  50  -7.095  -2.384   9.281
  326    HA3  GLY  50           HA1      GLY  50  -8.381  -1.196   9.435
  327    H    LEU  51           HN       LEU  51  -4.885  -0.876   8.843
  328    HA   LEU  51           HA       LEU  51  -5.274   1.127   6.854
  329    HB2  LEU  51           HB2      LEU  51  -3.196   0.530   8.383
  330    HB3  LEU  51           HB1      LEU  51  -2.758  -0.489   7.028
  331    HG   LEU  51           HG       LEU  51  -1.624   1.703   6.991
  332   HD11  LEU  51          HD11      LEU  51  -2.113   2.285   4.672
  333   HD12  LEU  51          HD12      LEU  51  -3.569   1.291   4.733
  334   HD13  LEU  51          HD13      LEU  51  -1.982   0.540   4.895
  335   HD21  LEU  51          HD21      LEU  51  -2.857   3.731   6.532
  336   HD22  LEU  51          HD22      LEU  51  -3.421   3.008   8.038
  337   HD23  LEU  51          HD23      LEU  51  -4.377   2.843   6.568
  338    H    ARG  52           HN       ARG  52  -5.689   0.870   4.732
  339    HA   ARG  52           HA       ARG  52  -5.733  -1.901   3.724
  340    HB2  ARG  52           HB2      ARG  52  -7.645   0.341   3.052
  341    HB3  ARG  52           HB1      ARG  52  -7.748  -1.319   2.487
  342    HG2  ARG  52           HG2      ARG  52  -8.146  -2.083   4.760
  343    HG3  ARG  52           HG1      ARG  52  -8.007  -0.423   5.347
  344    HD2  ARG  52           HD2      ARG  52  -9.907   0.199   3.884
  345    HD3  ARG  52           HD1      ARG  52 -10.080  -1.499   3.443
  346    HE   ARG  52           HE       ARG  52 -10.189  -0.882   6.278
  347   HH11  ARG  52          HH11      ARG  52 -11.947  -1.523   3.323
  348   HH12  ARG  52          HH12      ARG  52 -13.425  -1.906   4.138
  349   HH21  ARG  52          HH21      ARG  52 -12.151  -1.388   7.355
  350   HH22  ARG  52          HH22      ARG  52 -13.540  -1.853   6.425
  351    H    CYS  53           HN       CYS  53  -4.911  -2.301   1.742
  352    HA   CYS  53           HA       CYS  53  -3.669  -0.220   0.205
  353    HB2  CYS  53           HB2      CYS  53  -3.025  -1.951  -1.322
  354    HB3  CYS  53           HB1      CYS  53  -2.868  -2.623   0.293
  355    H    ARG  54           HN       ARG  54  -4.332  -0.238  -2.323
  356    HA   ARG  54           HA       ARG  54  -6.759   1.138  -2.296
  357    HB2  ARG  54           HB2      ARG  54  -6.554   1.408  -4.647
  358    HB3  ARG  54           HB1      ARG  54  -4.928   1.439  -3.984
  359    HG2  ARG  54           HG2      ARG  54  -4.576  -0.858  -4.710
  360    HG3  ARG  54           HG1      ARG  54  -6.223  -0.919  -5.339
  361    HD2  ARG  54           HD2      ARG  54  -4.005   0.894  -6.277
  362    HD3  ARG  54           HD1      ARG  54  -4.659  -0.497  -7.140
  363    HE   ARG  54           HE       ARG  54  -6.845   1.017  -6.825
  364   HH11  ARG  54          HH11      ARG  54  -3.631   1.791  -7.953
  365   HH12  ARG  54          HH12      ARG  54  -4.161   3.084  -8.980
  366   HH21  ARG  54          HH21      ARG  54  -7.558   2.715  -8.179
  367   HH22  ARG  54          HH22      ARG  54  -6.400   3.602  -9.120
  368    H    SER  55           HN       SER  55  -6.098  -2.211  -3.200
  369    HA   SER  55           HA       SER  55  -8.674  -2.730  -4.262
  370    HB2  SER  55           HB2      SER  55  -6.724  -4.119  -4.803
  371    HB3  SER  55           HB1      SER  55  -6.629  -4.651  -3.129
  372    HG   SER  55           HG       SER  55  -8.768  -5.114  -4.938
  373    H    CYS  56           HN       CYS  56  -7.262  -3.114  -1.040
  374    HA   CYS  56           HA       CYS  56  -9.558  -4.385   0.072
  375    HB2  CYS  56           HB2      CYS  56  -7.167  -3.035   1.313
  376    HB3  CYS  56           HB1      CYS  56  -8.465  -3.727   2.279
  377    H    SER  57           HN       SER  57  -8.617  -1.084  -0.457
  378    HA   SER  57           HA       SER  57 -10.826  -0.094   1.167
  379    HB2  SER  57           HB2      SER  57  -9.950   2.158   0.474
  380    HB3  SER  57           HB1      SER  57  -8.780   1.168   1.343
  381    HG   SER  57           HG       SER  57  -8.887   1.138  -1.476
  382    H    GLY  58           HN       GLY  58 -11.048  -1.664  -1.431
  383    HA2  GLY  58           HA2      GLY  58 -12.272   0.228  -3.254
  384    HA3  GLY  58           HA1      GLY  58 -12.132  -1.508  -3.484
  385    H    ASP  59           HN       ASP  59 -13.312  -0.737  -0.441
  386    HA   ASP  59           HA       ASP  59 -15.987  -1.592  -1.197
  387    HB2  ASP  59           HB2      ASP  59 -16.356  -1.914   1.174
  388    HB3  ASP  59           HB1      ASP  59 -14.808  -2.633   0.740
  389    H    VAL  60           HN       VAL  60 -17.864  -0.445  -0.408
  390    HA   VAL  60           HA       VAL  60 -17.383   2.445  -0.079
  391    HB   VAL  60           HB       VAL  60 -19.698   1.173  -1.560
  392   HG11  VAL  60          HG11      VAL  60 -18.917   4.071  -1.241
  393   HG12  VAL  60          HG12      VAL  60 -20.280   3.274  -0.452
  394   HG13  VAL  60          HG13      VAL  60 -20.261   3.460  -2.207
  395   HG21  VAL  60          HG21      VAL  60 -17.614   0.949  -2.814
  396   HG22  VAL  60          HG22      VAL  60 -17.317   2.679  -2.643
  397   HG23  VAL  60          HG23      VAL  60 -18.695   2.110  -3.585
  398    H    THR  61           HN       THR  61 -17.939   3.013   1.914
  399    HA   THR  61           HA       THR  61 -20.079   1.597   3.300
  400    HB   THR  61           HB       THR  61 -18.228   3.772   4.307
  401    HG1  THR  61           HG1      THR  61 -18.108   1.059   5.080
  402   HG21  THR  61          HG21      THR  61 -18.975   3.083   6.535
  403   HG22  THR  61          HG22      THR  61 -20.090   1.927   5.807
  404   HG23  THR  61          HG23      THR  61 -20.330   3.656   5.562
  405    HA   PRO  62           HA       PRO  62 -22.840   4.785   1.822
  406    HB2  PRO  62           HB2      PRO  62 -25.032   3.960   3.233
  407    HB3  PRO  62           HB1      PRO  62 -24.507   3.226   1.714
  408    HG2  PRO  62           HG2      PRO  62 -24.056   2.303   4.523
  409    HG3  PRO  62           HG1      PRO  62 -24.460   1.352   3.081
  410    HD2  PRO  62           HD2      PRO  62 -21.950   1.488   4.066
  411    HD3  PRO  62           HD1      PRO  62 -22.280   1.331   2.329
  412    H    ALA  63           HN       ALA  63 -23.179   6.779   2.542
  413    HA   ALA  63           HA       ALA  63 -22.726   7.370   5.353
  414    HB1  ALA  63           HB1      ALA  63 -23.164   9.220   3.008
  415    HB2  ALA  63           HB2      ALA  63 -21.601   8.736   3.664
  416    HB3  ALA  63           HB3      ALA  63 -22.700   9.709   4.640
  417    HA   PRO  64           HA       PRO  64 -27.155   7.381   6.116
  418    HB2  PRO  64           HB2      PRO  64 -26.321   8.722   8.613
  419    HB3  PRO  64           HB1      PRO  64 -27.253   7.242   8.391
  420    HG2  PRO  64           HG2      PRO  64 -24.724   7.166   9.253
  421    HG3  PRO  64           HG1      PRO  64 -25.364   5.926   8.157
  422    HD2  PRO  64           HD2      PRO  64 -23.613   8.274   7.546
  423    HD3  PRO  64           HD1      PRO  64 -23.537   6.616   6.917
  424    H    VAL  65           HN       VAL  65 -27.485   8.996   4.481
  425    HA   VAL  65           HA       VAL  65 -27.297  11.782   5.298
  426    HB   VAL  65           HB       VAL  65 -28.015  12.302   2.994
  427   HG11  VAL  65          HG11      VAL  65 -25.729  10.346   3.202
  428   HG12  VAL  65          HG12      VAL  65 -25.651  12.089   3.457
  429   HG13  VAL  65          HG13      VAL  65 -26.006  11.448   1.853
  430   HG21  VAL  65          HG21      VAL  65 -29.434  10.375   2.578
  431   HG22  VAL  65          HG22      VAL  65 -28.030   9.307   2.627
  432   HG23  VAL  65          HG23      VAL  65 -28.189  10.501   1.337
  433    H    GLU  66           HN       GLU  66 -29.218  13.179   4.603
  434    HA   GLU  66           HA       GLU  66 -31.548  12.104   5.970
  435    HB2  GLU  66           HB2      GLU  66 -31.026  14.911   4.982
  436    HB3  GLU  66           HB1      GLU  66 -32.305  14.408   6.075
  437    HG2  GLU  66           HG2      GLU  66 -29.356  14.283   6.661
  438    HG3  GLU  66           HG1      GLU  66 -30.471  15.514   7.246
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  11.577   7.480 -28.188
    2    H2   GLY   1           HT2      GLY   1  10.543   6.586 -29.183
    3    H3   GLY   1           HT3      GLY   1  11.787   5.809 -28.346
    4    HA2  GLY   1           HA1      GLY   1  10.741   6.399 -26.234
    5    HA3  GLY   1           HA2      GLY   1   9.420   7.119 -27.141
    6    H    ALA   2           HN       ALA   2   7.999   5.658 -26.078
    7    HA   ALA   2           HA       ALA   2   6.732   3.796 -25.887
    8    HB1  ALA   2           HB1      ALA   2   7.859   3.133 -28.602
    9    HB2  ALA   2           HB2      ALA   2   6.447   4.143 -28.289
   10    HB3  ALA   2           HB3      ALA   2   6.415   2.430 -27.871
   11    H    MET   3           HN       MET   3   8.667   3.481 -24.291
   12    HA   MET   3           HA       MET   3  10.246   1.122 -24.799
   13    HB2  MET   3           HB2      MET   3   9.797   2.734 -22.280
   14    HB3  MET   3           HB1      MET   3  10.917   1.386 -22.409
   15    HG2  MET   3           HG2      MET   3  12.206   2.591 -24.076
   16    HG3  MET   3           HG1      MET   3  11.067   3.933 -24.004
   17    HE1  MET   3           HE1      MET   3  11.671   5.417 -20.465
   18    HE2  MET   3           HE2      MET   3  10.433   4.249 -20.926
   19    HE3  MET   3           HE3      MET   3  10.830   5.586 -22.005
   20    H    GLU   4           HN       GLU   4   9.947  -0.902 -23.862
   21    HA   GLU   4           HA       GLU   4   7.216  -1.637 -23.427
   22    HB2  GLU   4           HB2      GLU   4   9.771  -3.227 -23.186
   23    HB3  GLU   4           HB1      GLU   4   8.159  -3.915 -23.058
   24    HG2  GLU   4           HG2      GLU   4   7.687  -3.169 -25.353
   25    HG3  GLU   4           HG1      GLU   4   9.337  -2.559 -25.472
   26    H    GLY   5           HN       GLY   5   6.823  -0.264 -21.574
   27    HA2  GLY   5           HA2      GLY   5   6.967  -1.734 -19.137
   28    HA3  GLY   5           HA1      GLY   5   8.074  -0.367 -19.118
   29    H    GLN   6           HN       GLN   6   4.719  -1.340 -19.342
   30    HA   GLN   6           HA       GLN   6   3.912   1.459 -18.909
   31    HB2  GLN   6           HB2      GLN   6   2.292  -0.828 -20.056
   32    HB3  GLN   6           HB1      GLN   6   1.705   0.807 -19.808
   33    HG2  GLN   6           HG2      GLN   6   2.199   0.699 -22.079
   34    HG3  GLN   6           HG1      GLN   6   3.570   1.545 -21.372
   35   HE21  GLN   6          HE21      GLN   6   3.066  -1.918 -21.146
   36   HE22  GLN   6          HE22      GLN   6   4.408  -2.365 -22.140
   37    H    GLN   7           HN       GLN   7   4.607  -1.039 -17.112
   38    HA   GLN   7           HA       GLN   7   2.164  -1.101 -15.500
   39    HB2  GLN   7           HB2      GLN   7   3.338  -3.223 -16.141
   40    HB3  GLN   7           HB1      GLN   7   4.706  -2.704 -15.168
   41    HG2  GLN   7           HG2      GLN   7   3.404  -4.263 -13.912
   42    HG3  GLN   7           HG1      GLN   7   3.231  -2.664 -13.187
   43   HE21  GLN   7          HE21      GLN   7   1.669  -5.168 -15.026
   44   HE22  GLN   7          HE22      GLN   7   0.053  -4.581 -14.823
   45    H    ASN   8           HN       ASN   8   2.064   0.626 -14.168
   46    HA   ASN   8           HA       ASN   8   4.462   1.752 -13.019
   47    HB2  ASN   8           HB2      ASN   8   1.545   2.454 -12.638
   48    HB3  ASN   8           HB1      ASN   8   2.868   3.311 -11.861
   49   HD21  ASN   8          HD21      ASN   8   1.140   2.767 -14.791
   50   HD22  ASN   8          HD22      ASN   8   1.895   4.019 -15.716
   51    H    LEU   9           HN       LEU   9   5.157  -0.135 -11.874
   52    HA   LEU   9           HA       LEU   9   3.967  -0.303  -9.214
   53    HB2  LEU   9           HB2      LEU   9   2.979  -2.136 -10.535
   54    HB3  LEU   9           HB1      LEU   9   4.586  -2.717 -10.921
   55    HG   LEU   9           HG       LEU   9   4.973  -3.170  -8.514
   56   HD11  LEU   9          HD11      LEU   9   3.043  -3.169  -6.990
   57   HD12  LEU   9          HD12      LEU   9   2.075  -2.389  -8.239
   58   HD13  LEU   9          HD13      LEU   9   3.460  -1.549  -7.545
   59   HD21  LEU   9          HD21      LEU   9   3.505  -5.125  -8.378
   60   HD22  LEU   9          HD22      LEU   9   4.200  -4.946  -9.989
   61   HD23  LEU   9          HD23      LEU   9   2.524  -4.479  -9.692
   62    H    ALA  10           HN       ALA  10   5.462  -0.397  -7.650
   63    HA   ALA  10           HA       ALA  10   8.240  -0.216  -8.377
   64    HB1  ALA  10           HB1      ALA  10   7.323   1.223  -6.630
   65    HB2  ALA  10           HB2      ALA  10   8.606   0.198  -5.990
   66    HB3  ALA  10           HB3      ALA  10   6.920  -0.195  -5.662
   67    HA   PRO  11           HA       PRO  11   9.172  -4.512  -7.835
   68    HB2  PRO  11           HB2      PRO  11  11.858  -4.327  -7.588
   69    HB3  PRO  11           HB1      PRO  11  11.024  -4.084  -9.127
   70    HG2  PRO  11           HG2      PRO  11  12.042  -2.049  -7.183
   71    HG3  PRO  11           HG1      PRO  11  12.180  -2.070  -8.950
   72    HD2  PRO  11           HD2      PRO  11  10.325  -0.584  -7.653
   73    HD3  PRO  11           HD1      PRO  11  10.030  -1.294  -9.252
   74    H    GLY  12           HN       GLY  12   8.076  -3.681  -5.528
   75    HA2  GLY  12           HA2      GLY  12   8.768  -5.359  -3.614
   76    HA3  GLY  12           HA1      GLY  12  10.010  -4.140  -3.387
   77    H    ALA  13           HN       ALA  13   9.297  -3.587  -1.345
   78    HA   ALA  13           HA       ALA  13   6.551  -2.636  -1.064
   79    HB1  ALA  13           HB1      ALA  13   8.668  -3.076   1.036
   80    HB2  ALA  13           HB2      ALA  13   7.415  -4.231   0.585
   81    HB3  ALA  13           HB3      ALA  13   6.972  -2.695   1.327
   82    H    ARG  14           HN       ARG  14   6.847  -0.689  -2.294
   83    HA   ARG  14           HA       ARG  14   7.802   1.482  -0.602
   84    HB2  ARG  14           HB2      ARG  14   8.812   0.966  -3.393
   85    HB3  ARG  14           HB1      ARG  14   8.819   2.579  -2.695
   86    HG2  ARG  14           HG2      ARG  14  10.198   1.677  -0.820
   87    HG3  ARG  14           HG1      ARG  14  10.307   0.158  -1.713
   88    HD2  ARG  14           HD2      ARG  14  11.341   1.324  -3.585
   89    HD3  ARG  14           HD1      ARG  14  11.202   2.855  -2.726
   90    HE   ARG  14           HE       ARG  14  12.632   1.193  -1.060
   91   HH11  ARG  14          HH11      ARG  14  12.994   2.458  -4.305
   92   HH12  ARG  14          HH12      ARG  14  14.728   2.438  -4.258
   93   HH21  ARG  14          HH21      ARG  14  14.930   1.172  -1.000
   94   HH22  ARG  14          HH22      ARG  14  15.824   1.722  -2.381
   95    H    CYS  15           HN       CYS  15   6.853   3.496  -1.067
   96    HA   CYS  15           HA       CYS  15   4.219   3.436  -2.097
   97    HB2  CYS  15           HB2      CYS  15   4.793   5.059  -0.407
   98    HB3  CYS  15           HB1      CYS  15   6.073   5.726  -1.411
   99    H    GLY  16           HN       GLY  16   3.703   3.264  -4.186
  100    HA2  GLY  16           HA2      GLY  16   5.583   3.501  -6.267
  101    HA3  GLY  16           HA1      GLY  16   3.847   3.356  -6.472
  102    H    VAL  17           HN       VAL  17   3.635   5.887  -4.760
  103    HA   VAL  17           HA       VAL  17   3.659   7.727  -6.976
  104    HB   VAL  17           HB       VAL  17   3.049   8.251  -4.062
  105   HG11  VAL  17          HG11      VAL  17   2.380   9.860  -6.525
  106   HG12  VAL  17          HG12      VAL  17   3.564  10.291  -5.291
  107   HG13  VAL  17          HG13      VAL  17   1.849  10.222  -4.883
  108   HG21  VAL  17          HG21      VAL  17   1.208   7.556  -6.348
  109   HG22  VAL  17          HG22      VAL  17   0.681   8.083  -4.750
  110   HG23  VAL  17          HG23      VAL  17   1.555   6.563  -4.934
  111    H    CYS  18           HN       CYS  18   5.682   7.010  -4.237
  112    HA   CYS  18           HA       CYS  18   7.220   9.472  -4.705
  113    HB2  CYS  18           HB2      CYS  18   7.048   7.727  -2.247
  114    HB3  CYS  18           HB1      CYS  18   8.110   9.122  -2.407
  115    H    GLY  19           HN       GLY  19   7.408   6.025  -4.811
  116    HA2  GLY  19           HA2      GLY  19   9.105   4.636  -5.529
  117    HA3  GLY  19           HA1      GLY  19  10.067   6.066  -5.883
  118    H    ASP  20           HN       ASP  20   8.712   5.822  -2.763
  119    HA   ASP  20           HA       ASP  20  11.295   5.052  -1.607
  120    HB2  ASP  20           HB2      ASP  20  11.205   7.520  -1.776
  121    HB3  ASP  20           HB1      ASP  20   9.701   7.521  -0.861
  122    H    GLY  21           HN       GLY  21  11.138   4.405   0.661
  123    HA2  GLY  21           HA2      GLY  21   8.387   3.676   1.447
  124    HA3  GLY  21           HA1      GLY  21   9.702   2.513   1.532
  125    H    THR  22           HN       THR  22  10.386   5.815   2.331
  126    HA   THR  22           HA       THR  22  11.110   5.065   5.006
  127    HB   THR  22           HB       THR  22  10.934   7.867   3.890
  128    HG1  THR  22           HG1      THR  22  12.302   6.954   2.487
  129   HG21  THR  22          HG21      THR  22  12.651   6.649   6.060
  130   HG22  THR  22          HG22      THR  22  11.273   7.720   6.310
  131   HG23  THR  22          HG23      THR  22  12.724   8.322   5.510
  132    H    ASP  23           HN       ASP  23   9.886   5.155   6.779
  133    HA   ASP  23           HA       ASP  23   8.031   5.303   8.078
  134    HB2  ASP  23           HB2      ASP  23   8.046   8.035   6.801
  135    HB3  ASP  23           HB1      ASP  23   6.854   7.578   8.014
  136    H    VAL  24           HN       VAL  24   7.601   3.805   5.919
  137    HA   VAL  24           HA       VAL  24   5.214   4.742   4.550
  138    HB   VAL  24           HB       VAL  24   7.197   3.572   3.412
  139   HG11  VAL  24          HG11      VAL  24   7.131   1.148   3.324
  140   HG12  VAL  24          HG12      VAL  24   5.829   1.134   4.513
  141   HG13  VAL  24          HG13      VAL  24   7.429   1.718   4.965
  142   HG21  VAL  24          HG21      VAL  24   4.433   2.523   2.888
  143   HG22  VAL  24          HG22      VAL  24   5.777   2.563   1.748
  144   HG23  VAL  24          HG23      VAL  24   5.067   4.069   2.326
  145    H    LEU  25           HN       LEU  25   3.270   3.539   4.504
  146    HA   LEU  25           HA       LEU  25   2.788   2.061   6.975
  147    HB2  LEU  25           HB2      LEU  25   0.843   3.144   4.931
  148    HB3  LEU  25           HB1      LEU  25   0.416   2.411   6.468
  149    HG   LEU  25           HG       LEU  25   2.006   4.960   6.171
  150   HD11  LEU  25          HD11      LEU  25  -0.016   6.094   6.895
  151   HD12  LEU  25          HD12      LEU  25  -0.887   4.562   6.899
  152   HD13  LEU  25          HD13      LEU  25  -0.283   5.228   5.383
  153   HD21  LEU  25          HD21      LEU  25   1.563   5.215   8.566
  154   HD22  LEU  25          HD22      LEU  25   2.503   3.762   8.226
  155   HD23  LEU  25          HD23      LEU  25   0.780   3.634   8.584
  156    H    ARG  26           HN       ARG  26   1.706   0.048   6.951
  157    HA   ARG  26           HA       ARG  26   2.298  -1.493   4.518
  158    HB2  ARG  26           HB2      ARG  26   2.058  -2.425   7.387
  159    HB3  ARG  26           HB1      ARG  26   2.464  -3.442   6.015
  160    HG2  ARG  26           HG2      ARG  26   4.111  -1.138   7.032
  161    HG3  ARG  26           HG1      ARG  26   4.432  -2.847   7.330
  162    HD2  ARG  26           HD2      ARG  26   4.412  -1.474   4.643
  163    HD3  ARG  26           HD1      ARG  26   5.840  -1.998   5.536
  164    HE   ARG  26           HE       ARG  26   3.824  -3.976   4.736
  165   HH11  ARG  26          HH11      ARG  26   7.069  -2.678   4.443
  166   HH12  ARG  26          HH12      ARG  26   7.685  -4.082   3.635
  167   HH21  ARG  26          HH21      ARG  26   4.643  -5.819   3.672
  168   HH22  ARG  26          HH22      ARG  26   6.308  -5.860   3.187
  169    H    CYS  27           HN       CYS  27   0.824  -3.182   3.908
  170    HA   CYS  27           HA       CYS  27  -1.935  -2.502   4.530
  171    HB2  CYS  27           HB2      CYS  27  -1.046  -3.015   2.161
  172    HB3  CYS  27           HB1      CYS  27  -1.065  -4.715   2.652
  173    H    THR  28           HN       THR  28  -3.345  -3.802   5.626
  174    HA   THR  28           HA       THR  28  -2.158  -5.921   7.224
  175    HB   THR  28           HB       THR  28  -4.379  -5.906   8.380
  176    HG1  THR  28           HG1      THR  28  -5.847  -4.284   7.809
  177   HG21  THR  28          HG21      THR  28  -4.073  -3.719   9.450
  178   HG22  THR  28          HG22      THR  28  -3.002  -3.230   8.136
  179   HG23  THR  28          HG23      THR  28  -2.530  -4.543   9.216
  180    H    HIS  29           HN       HIS  29  -4.305  -5.552   4.528
  181    HA   HIS  29           HA       HIS  29  -5.340  -8.259   4.786
  182    HB2  HIS  29           HB2      HIS  29  -5.939  -6.009   2.873
  183    HB3  HIS  29           HB1      HIS  29  -6.570  -7.634   2.633
  184    HD1  HIS  29           HD1      HIS  29  -8.999  -6.799   2.949
  185    HD2  HIS  29           HD2      HIS  29  -6.553  -6.201   6.257
  186    HE1  HIS  29           HE1      HIS  29 -10.548  -6.207   4.838
  187    HE2  HIS  29           HE2      HIS  29  -9.059  -5.986   6.856
  188    H    CYS  30           HN       CYS  30  -2.841  -6.590   3.145
  189    HA   CYS  30           HA       CYS  30  -1.934  -9.088   2.015
  190    HB2  CYS  30           HB2      CYS  30  -1.834  -8.457  -0.237
  191    HB3  CYS  30           HB1      CYS  30  -3.401  -7.834   0.266
  192    H    ALA  31           HN       ALA  31   0.223  -8.230   0.611
  193    HA   ALA  31           HA       ALA  31   1.753  -6.789   2.643
  194    HB1  ALA  31           HB1      ALA  31   2.553  -9.046   2.129
  195    HB2  ALA  31           HB2      ALA  31   3.739  -7.823   1.672
  196    HB3  ALA  31           HB3      ALA  31   2.742  -8.591   0.436
  197    H    ALA  32           HN       ALA  32   2.084  -4.714   2.215
  198    HA   ALA  32           HA       ALA  32   3.077  -3.812  -0.304
  199    HB1  ALA  32           HB1      ALA  32   1.234  -2.334  -0.908
  200    HB2  ALA  32           HB2      ALA  32   0.285  -2.946   0.446
  201    HB3  ALA  32           HB3      ALA  32   0.701  -4.016  -0.891
  202    H    ALA  33           HN       ALA  33   3.806  -1.679  -0.238
  203    HA   ALA  33           HA       ALA  33   3.643  -0.345   2.391
  204    HB1  ALA  33           HB1      ALA  33   5.930  -0.363   0.432
  205    HB2  ALA  33           HB2      ALA  33   5.884  -1.158   2.006
  206    HB3  ALA  33           HB3      ALA  33   5.857   0.600   1.905
  207    H    PHE  34           HN       PHE  34   2.598   1.511   2.335
  208    HA   PHE  34           HA       PHE  34   2.692   3.177  -0.056
  209    HB2  PHE  34           HB2      PHE  34   0.250   3.343  -0.190
  210    HB3  PHE  34           HB1      PHE  34   0.773   1.679  -0.421
  211    HD1  PHE  34           HD2      PHE  34   0.521   0.048   1.466
  212    HD2  PHE  34           HD1      PHE  34  -1.212   3.936   1.554
  213    HE1  PHE  34           HE2      PHE  34  -0.997  -0.669   3.264
  214    HE2  PHE  34           HE1      PHE  34  -2.729   3.222   3.348
  215    HZ   PHE  34           HZ       PHE  34  -2.621   0.917   4.208
  216    H    HIS  35           HN       HIS  35   2.353   5.346   0.370
  217    HA   HIS  35           HA       HIS  35   1.996   6.141   3.148
  218    HB2  HIS  35           HB2      HIS  35   2.280   7.843   0.652
  219    HB3  HIS  35           HB1      HIS  35   2.260   8.446   2.300
  220    HD2  HIS  35           HD2      HIS  35   4.477   6.092   3.352
  221    HE1  HIS  35           HE1      HIS  35   6.957   8.226   0.661
  222    HE2  HIS  35           HE2      HIS  35   6.908   6.817   2.779
  223    H    TRP  36           HN       TRP  36   0.085   6.645   3.973
  224    HA   TRP  36           HA       TRP  36  -2.313   6.073   2.690
  225    HB2  TRP  36           HB2      TRP  36  -1.992   6.130   5.150
  226    HB3  TRP  36           HB1      TRP  36  -1.907   7.885   5.080
  227    HD1  TRP  36           HD1      TRP  36  -4.188   9.211   4.736
  228    HE1  TRP  36           HE1      TRP  36  -6.646   8.518   4.993
  229    HE3  TRP  36           HE3      TRP  36  -3.592   4.136   4.841
  230    HZ2  TRP  36           HZ2      TRP  36  -8.142   6.129   5.215
  231    HZ3  TRP  36           HZ3      TRP  36  -5.587   2.718   5.080
  232    HH2  TRP  36           HH2      TRP  36  -7.816   3.696   5.263
  233    H    ARG  37           HN       ARG  37  -0.644   9.160   3.078
  234    HA   ARG  37           HA       ARG  37  -2.783  10.747   2.059
  235    HB2  ARG  37           HB2      ARG  37   0.166  11.342   2.320
  236    HB3  ARG  37           HB1      ARG  37  -1.060  12.532   1.903
  237    HG2  ARG  37           HG2      ARG  37  -2.113  12.291   4.037
  238    HG3  ARG  37           HG1      ARG  37  -1.057  10.940   4.454
  239    HD2  ARG  37           HD2      ARG  37  -0.299  12.957   5.553
  240    HD3  ARG  37           HD1      ARG  37   0.880  12.444   4.349
  241    HE   ARG  37           HE       ARG  37  -0.930  14.325   3.246
  242   HH11  ARG  37          HH11      ARG  37   1.831  14.058   5.369
  243   HH12  ARG  37          HH12      ARG  37   2.371  15.682   5.088
  244   HH21  ARG  37          HH21      ARG  37  -0.227  16.470   2.867
  245   HH22  ARG  37          HH22      ARG  37   1.199  17.057   3.659
  246    H    CYS  38           HN       CYS  38  -0.274   8.886   0.595
  247    HA   CYS  38           HA       CYS  38  -0.466  10.239  -1.955
  248    HB2  CYS  38           HB2      CYS  38   0.996   7.708  -1.178
  249    HB3  CYS  38           HB1      CYS  38   1.143   8.538  -2.725
  250    H    HIS  39           HN       HIS  39  -1.967   7.601  -0.343
  251    HA   HIS  39           HA       HIS  39  -3.031   6.560  -2.873
  252    HB2  HIS  39           HB2      HIS  39  -2.711   5.383  -0.141
  253    HB3  HIS  39           HB1      HIS  39  -3.938   4.734  -1.224
  254    HD1  HIS  39           HD1      HIS  39  -3.036   2.644  -2.154
  255    HD2  HIS  39           HD2      HIS  39  -0.151   5.624  -2.028
  256    HE1  HIS  39           HE1      HIS  39  -0.996   1.643  -3.222
  257    HE2  HIS  39           HE2      HIS  39   0.684   3.518  -3.286
  258    H    PHE  40           HN       PHE  40  -3.938   8.266  -0.006
  259    HA   PHE  40           HA       PHE  40  -6.699   8.368  -1.006
  260    HB2  PHE  40           HB2      PHE  40  -5.898   8.224   1.910
  261    HB3  PHE  40           HB1      PHE  40  -7.539   8.339   1.289
  262    HD1  PHE  40           HD2      PHE  40  -8.609   6.424   0.234
  263    HD2  PHE  40           HD1      PHE  40  -4.676   6.154   1.835
  264    HE1  PHE  40           HE2      PHE  40  -8.741   3.970   0.139
  265    HE2  PHE  40           HE1      PHE  40  -4.801   3.701   1.740
  266    HZ   PHE  40           HZ       PHE  40  -6.834   2.605   0.891
  267    HA   PRO  41           HA       PRO  41  -4.784  12.570  -0.282
  268    HB2  PRO  41           HB2      PRO  41  -5.232  13.194  -3.061
  269    HB3  PRO  41           HB1      PRO  41  -3.697  13.040  -2.208
  270    HG2  PRO  41           HG2      PRO  41  -4.546  11.303  -4.146
  271    HG3  PRO  41           HG1      PRO  41  -3.415  10.865  -2.855
  272    HD2  PRO  41           HD2      PRO  41  -6.356  10.347  -3.056
  273    HD3  PRO  41           HD1      PRO  41  -5.061   9.279  -2.473
  274    H    ALA  42           HN       ALA  42  -7.739  11.356  -0.906
  275    HA   ALA  42           HA       ALA  42  -9.109  13.772  -1.687
  276    HB1  ALA  42           HB1      ALA  42  -9.896  11.574  -2.438
  277    HB2  ALA  42           HB2      ALA  42 -11.136  12.443  -1.534
  278    HB3  ALA  42           HB3      ALA  42 -10.240  11.134  -0.766
  279    H    GLY  43           HN       GLY  43  -7.705  12.951   1.114
  280    HA2  GLY  43           HA2      GLY  43  -7.895  14.412   2.998
  281    HA3  GLY  43           HA1      GLY  43  -9.599  14.619   2.624
  282    H    THR  44           HN       THR  44  -8.745  11.408   2.318
  283    HA   THR  44           HA       THR  44 -10.271  10.571   4.550
  284    HB   THR  44           HB       THR  44  -8.274   8.895   3.023
  285    HG1  THR  44           HG1      THR  44 -10.922   9.697   2.317
  286   HG21  THR  44          HG21      THR  44  -9.831   7.073   3.512
  287   HG22  THR  44          HG22      THR  44 -10.887   8.195   4.368
  288   HG23  THR  44          HG23      THR  44  -9.280   7.844   4.998
  289    H    SER  45           HN       SER  45  -9.650  10.178   6.622
  290    HA   SER  45           HA       SER  45  -6.881  10.746   7.314
  291    HB2  SER  45           HB2      SER  45  -7.820  10.664   9.677
  292    HB3  SER  45           HB1      SER  45  -8.471  11.929   8.637
  293    HG   SER  45           HG       SER  45 -10.264  11.060   9.431
  294    H    ARG  46           HN       ARG  46  -5.606   9.348   8.605
  295    HA   ARG  46           HA       ARG  46  -5.939   6.592   7.867
  296    HB2  ARG  46           HB2      ARG  46  -3.713   7.558   7.829
  297    HB3  ARG  46           HB1      ARG  46  -3.826   7.961   9.538
  298    HG2  ARG  46           HG2      ARG  46  -3.975   5.552  10.061
  299    HG3  ARG  46           HG1      ARG  46  -3.756   5.194   8.350
  300    HD2  ARG  46           HD2      ARG  46  -1.660   4.973   9.567
  301    HD3  ARG  46           HD1      ARG  46  -1.576   6.287   8.395
  302    HE   ARG  46           HE       ARG  46  -2.050   7.778  10.380
  303   HH11  ARG  46          HH11      ARG  46  -0.419   4.693  10.724
  304   HH12  ARG  46          HH12      ARG  46   0.484   5.189  12.115
  305   HH21  ARG  46          HH21      ARG  46  -0.845   8.433  12.191
  306   HH22  ARG  46          HH22      ARG  46   0.255   7.321  12.944
  307    HA   PRO  47           HA       PRO  47  -8.059   5.504  11.663
  308    HB2  PRO  47           HB2      PRO  47  -8.306   2.868  11.097
  309    HB3  PRO  47           HB1      PRO  47  -9.342   4.097  10.365
  310    HG2  PRO  47           HG2      PRO  47  -6.944   2.718   9.232
  311    HG3  PRO  47           HG1      PRO  47  -8.484   3.114   8.448
  312    HD2  PRO  47           HD2      PRO  47  -6.220   4.584   8.121
  313    HD3  PRO  47           HD1      PRO  47  -7.852   5.277   8.022
  314    H    GLY  48           HN       GLY  48  -7.545   4.316  13.541
  315    HA2  GLY  48           HA2      GLY  48  -4.748   3.925  13.997
  316    HA3  GLY  48           HA1      GLY  48  -6.044   3.613  15.142
  317    H    THR  49           HN       THR  49  -7.331   1.914  12.982
  318    HA   THR  49           HA       THR  49  -5.467  -0.294  12.741
  319    HB   THR  49           HB       THR  49  -6.500  -0.856  14.836
  320    HG1  THR  49           HG1      THR  49  -6.248  -2.611  13.408
  321   HG21  THR  49          HG21      THR  49  -8.932  -1.111  15.070
  322   HG22  THR  49          HG22      THR  49  -9.146  -0.488  13.433
  323   HG23  THR  49          HG23      THR  49  -8.481   0.552  14.691
  324    H    GLY  50           HN       GLY  50  -5.844  -1.562  10.965
  325    HA2  GLY  50           HA2      GLY  50  -7.212  -2.490   9.260
  326    HA3  GLY  50           HA1      GLY  50  -8.357  -1.181   9.501
  327    H    LEU  51           HN       LEU  51  -4.857  -1.247   8.863
  328    HA   LEU  51           HA       LEU  51  -5.098   0.845   6.907
  329    HB2  LEU  51           HB2      LEU  51  -2.891  -0.709   8.144
  330    HB3  LEU  51           HB1      LEU  51  -2.582  -0.036   6.558
  331    HG   LEU  51           HG       LEU  51  -1.793   1.375   8.468
  332   HD11  LEU  51          HD11      LEU  51  -2.186   2.330   6.269
  333   HD12  LEU  51          HD12      LEU  51  -2.617   3.474   7.540
  334   HD13  LEU  51          HD13      LEU  51  -3.880   2.598   6.676
  335   HD21  LEU  51          HD21      LEU  51  -4.744   1.808   8.927
  336   HD22  LEU  51          HD22      LEU  51  -3.428   2.675   9.719
  337   HD23  LEU  51          HD23      LEU  51  -3.646   0.950  10.010
  338    H    ARG  52           HN       ARG  52  -5.544   0.584   4.831
  339    HA   ARG  52           HA       ARG  52  -5.019  -2.032   3.591
  340    HB2  ARG  52           HB2      ARG  52  -7.475  -0.305   3.231
  341    HB3  ARG  52           HB1      ARG  52  -7.111  -1.735   2.282
  342    HG2  ARG  52           HG2      ARG  52  -7.219  -3.099   4.321
  343    HG3  ARG  52           HG1      ARG  52  -7.630  -1.653   5.247
  344    HD2  ARG  52           HD2      ARG  52  -9.231  -2.799   2.961
  345    HD3  ARG  52           HD1      ARG  52  -9.622  -2.964   4.672
  346    HE   ARG  52           HE       ARG  52  -9.409  -0.251   4.177
  347   HH11  ARG  52          HH11      ARG  52 -11.367  -2.888   2.986
  348   HH12  ARG  52          HH12      ARG  52 -12.773  -1.902   2.725
  349   HH21  ARG  52          HH21      ARG  52 -11.247   1.056   3.845
  350   HH22  ARG  52          HH22      ARG  52 -12.713   0.339   3.260
  351    H    CYS  53           HN       CYS  53  -4.092  -1.973   1.638
  352    HA   CYS  53           HA       CYS  53  -3.147   0.491   0.568
  353    HB2  CYS  53           HB2      CYS  53  -2.082  -0.830  -1.115
  354    HB3  CYS  53           HB1      CYS  53  -1.980  -1.749   0.384
  355    H    ARG  54           HN       ARG  54  -3.496   0.449  -2.143
  356    HA   ARG  54           HA       ARG  54  -6.100   1.584  -2.259
  357    HB2  ARG  54           HB2      ARG  54  -4.101   2.355  -3.585
  358    HB3  ARG  54           HB1      ARG  54  -4.309   0.936  -4.599
  359    HG2  ARG  54           HG2      ARG  54  -5.278   2.928  -5.615
  360    HG3  ARG  54           HG1      ARG  54  -6.507   1.706  -5.277
  361    HD2  ARG  54           HD2      ARG  54  -7.184   2.902  -3.277
  362    HD3  ARG  54           HD1      ARG  54  -5.902   4.085  -3.519
  363    HE   ARG  54           HE       ARG  54  -7.364   4.204  -5.815
  364   HH11  ARG  54          HH11      ARG  54  -8.107   4.514  -2.416
  365   HH12  ARG  54          HH12      ARG  54  -9.416   5.616  -2.663
  366   HH21  ARG  54          HH21      ARG  54  -9.087   5.681  -6.152
  367   HH22  ARG  54          HH22      ARG  54  -9.972   6.285  -4.789
  368    H    SER  55           HN       SER  55  -4.688  -1.419  -3.441
  369    HA   SER  55           HA       SER  55  -6.908  -2.227  -4.994
  370    HB2  SER  55           HB2      SER  55  -4.858  -4.033  -3.716
  371    HB3  SER  55           HB1      SER  55  -5.782  -4.326  -5.188
  372    HG   SER  55           HG       SER  55  -4.677  -2.274  -5.915
  373    H    CYS  56           HN       CYS  56  -5.926  -2.992  -1.657
  374    HA   CYS  56           HA       CYS  56  -8.135  -4.737  -1.193
  375    HB2  CYS  56           HB2      CYS  56  -6.308  -3.335   0.765
  376    HB3  CYS  56           HB1      CYS  56  -7.501  -4.551   1.209
  377    H    SER  57           HN       SER  57  -7.789  -1.343  -1.259
  378    HA   SER  57           HA       SER  57 -10.148  -0.857   0.358
  379    HB2  SER  57           HB2      SER  57  -8.418   1.032  -1.258
  380    HB3  SER  57           HB1      SER  57  -9.768   1.527  -0.235
  381    HG   SER  57           HG       SER  57  -7.275   0.430   0.502
  382    H    GLY  58           HN       GLY  58 -10.033  -2.360  -2.334
  383    HA2  GLY  58           HA2      GLY  58 -11.714  -0.929  -4.113
  384    HA3  GLY  58           HA1      GLY  58 -11.530  -2.682  -4.051
  385    H    ASP  59           HN       ASP  59 -12.327  -3.166  -1.460
  386    HA   ASP  59           HA       ASP  59 -15.183  -2.587  -1.542
  387    HB2  ASP  59           HB2      ASP  59 -14.552  -4.906  -1.108
  388    HB3  ASP  59           HB1      ASP  59 -13.558  -4.409   0.258
  389    H    VAL  60           HN       VAL  60 -14.726  -0.305  -1.130
  390    HA   VAL  60           HA       VAL  60 -14.174   0.216   1.709
  391    HB   VAL  60           HB       VAL  60 -12.530   1.281   0.270
  392   HG11  VAL  60          HG11      VAL  60 -13.812   1.478  -1.780
  393   HG12  VAL  60          HG12      VAL  60 -13.155   3.048  -1.314
  394   HG13  VAL  60          HG13      VAL  60 -14.859   2.686  -1.032
  395   HG21  VAL  60          HG21      VAL  60 -14.451   3.278   1.455
  396   HG22  VAL  60          HG22      VAL  60 -12.767   3.593   1.040
  397   HG23  VAL  60          HG23      VAL  60 -13.161   2.437   2.310
  398    H    THR  61           HN       THR  61 -15.827   0.816   2.902
  399    HA   THR  61           HA       THR  61 -18.245   1.832   1.607
  400    HB   THR  61           HB       THR  61 -17.842   1.012   4.493
  401    HG1  THR  61           HG1      THR  61 -17.927  -0.524   2.362
  402   HG21  THR  61          HG21      THR  61 -20.290   0.941   4.562
  403   HG22  THR  61          HG22      THR  61 -20.358   1.488   2.887
  404   HG23  THR  61          HG23      THR  61 -19.718   2.554   4.138
  405    HA   PRO  62           HA       PRO  62 -16.778   5.961   2.617
  406    HB2  PRO  62           HB2      PRO  62 -19.631   6.561   2.025
  407    HB3  PRO  62           HB1      PRO  62 -18.169   7.317   1.385
  408    HG2  PRO  62           HG2      PRO  62 -19.591   5.635  -0.109
  409    HG3  PRO  62           HG1      PRO  62 -17.819   5.629  -0.169
  410    HD2  PRO  62           HD2      PRO  62 -19.679   3.725   1.187
  411    HD3  PRO  62           HD1      PRO  62 -18.147   3.405   0.347
  412    H    ALA  63           HN       ALA  63 -16.719   6.958   4.515
  413    HA   ALA  63           HA       ALA  63 -18.471   6.034   6.632
  414    HB1  ALA  63           HB1      ALA  63 -16.083   7.875   6.732
  415    HB2  ALA  63           HB2      ALA  63 -16.058   6.133   7.013
  416    HB3  ALA  63           HB3      ALA  63 -16.928   7.195   8.121
  417    HA   PRO  64           HA       PRO  64 -21.047   9.633   6.508
  418    HB2  PRO  64           HB2      PRO  64 -22.214   9.417   8.928
  419    HB3  PRO  64           HB1      PRO  64 -22.579   8.302   7.607
  420    HG2  PRO  64           HG2      PRO  64 -20.752   7.929   9.949
  421    HG3  PRO  64           HG1      PRO  64 -21.917   6.792   9.246
  422    HD2  PRO  64           HD2      PRO  64 -19.242   6.701   8.731
  423    HD3  PRO  64           HD1      PRO  64 -20.475   6.155   7.576
  424    H    VAL  65           HN       VAL  65 -18.564  10.511   6.821
  425    HA   VAL  65           HA       VAL  65 -18.556  12.170   9.251
  426    HB   VAL  65           HB       VAL  65 -16.163  12.571   8.803
  427   HG11  VAL  65          HG11      VAL  65 -16.914   9.655   8.923
  428   HG12  VAL  65          HG12      VAL  65 -16.806  10.760  10.291
  429   HG13  VAL  65          HG13      VAL  65 -15.354  10.334   9.387
  430   HG21  VAL  65          HG21      VAL  65 -14.982  11.227   7.127
  431   HG22  VAL  65          HG22      VAL  65 -16.167  12.300   6.383
  432   HG23  VAL  65          HG23      VAL  65 -16.524  10.581   6.563
  433    H    GLU  66           HN       GLU  66 -18.035  14.423   9.045
  434    HA   GLU  66           HA       GLU  66 -18.813  15.491   6.415
  435    HB2  GLU  66           HB2      GLU  66 -19.098  16.716   9.161
  436    HB3  GLU  66           HB1      GLU  66 -19.505  17.530   7.656
  437    HG2  GLU  66           HG2      GLU  66 -21.165  15.777   7.188
  438    HG3  GLU  66           HG1      GLU  66 -20.782  15.035   8.741
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  25.832   8.909  16.984
    2    H2   GLY   1           HT2      GLY   1  25.311  10.479  17.323
    3    H3   GLY   1           HT3      GLY   1  26.907  10.034  17.646
    4    HA2  GLY   1           HA1      GLY   1  26.817  11.367  15.655
    5    HA3  GLY   1           HA2      GLY   1  27.328   9.726  15.289
    6    H    ALA   2           HN       ALA   2  26.537  10.791  13.138
    7    HA   ALA   2           HA       ALA   2  23.677  10.723  12.759
    8    HB1  ALA   2           HB1      ALA   2  24.176  11.268  10.436
    9    HB2  ALA   2           HB2      ALA   2  25.896  11.016  10.740
   10    HB3  ALA   2           HB3      ALA   2  25.043  12.338  11.536
   11    H    MET   3           HN       MET   3  22.542   8.975  12.293
   12    HA   MET   3           HA       MET   3  23.918   6.479  11.792
   13    HB2  MET   3           HB2      MET   3  22.049   6.635  13.429
   14    HB3  MET   3           HB1      MET   3  20.957   7.019  12.108
   15    HG2  MET   3           HG2      MET   3  20.801   4.678  12.801
   16    HG3  MET   3           HG1      MET   3  21.314   4.847  11.124
   17    HE1  MET   3           HE1      MET   3  24.222   3.821  14.561
   18    HE2  MET   3           HE2      MET   3  22.504   4.137  14.806
   19    HE3  MET   3           HE3      MET   3  23.577   5.440  14.296
   20    H    GLU   4           HN       GLU   4  24.552   7.738   9.685
   21    HA   GLU   4           HA       GLU   4  22.545   7.384   7.595
   22    HB2  GLU   4           HB2      GLU   4  25.272   8.674   7.592
   23    HB3  GLU   4           HB1      GLU   4  24.295   8.476   6.144
   24    HG2  GLU   4           HG2      GLU   4  23.496  10.023   8.598
   25    HG3  GLU   4           HG1      GLU   4  24.086  10.717   7.088
   26    H    GLY   5           HN       GLY   5  22.696   5.051   8.059
   27    HA2  GLY   5           HA2      GLY   5  23.757   3.533   6.102
   28    HA3  GLY   5           HA1      GLY   5  25.092   3.659   7.242
   29    H    GLN   6           HN       GLN   6  21.581   3.320   7.651
   30    HA   GLN   6           HA       GLN   6  22.019   1.541   9.878
   31    HB2  GLN   6           HB2      GLN   6  19.586   1.610  10.152
   32    HB3  GLN   6           HB1      GLN   6  20.261   3.227  10.010
   33    HG2  GLN   6           HG2      GLN   6  19.579   3.282   7.653
   34    HG3  GLN   6           HG1      GLN   6  18.863   1.684   7.837
   35   HE21  GLN   6          HE21      GLN   6  18.594   5.054   8.617
   36   HE22  GLN   6          HE22      GLN   6  16.963   5.001   9.186
   37    H    GLN   7           HN       GLN   7  21.654   1.190   6.574
   38    HA   GLN   7           HA       GLN   7  21.357  -0.549   5.161
   39    HB2  GLN   7           HB2      GLN   7  23.165  -1.485   6.646
   40    HB3  GLN   7           HB1      GLN   7  21.907  -2.311   7.553
   41    HG2  GLN   7           HG2      GLN   7  21.256  -3.522   5.527
   42    HG3  GLN   7           HG1      GLN   7  22.542  -2.710   4.639
   43   HE21  GLN   7          HE21      GLN   7  23.577  -4.611   4.135
   44   HE22  GLN   7          HE22      GLN   7  24.429  -5.554   5.312
   45    H    ASN   8           HN       ASN   8  19.032   0.424   5.714
   46    HA   ASN   8           HA       ASN   8  17.325  -1.853   6.464
   47    HB2  ASN   8           HB2      ASN   8  17.048   0.046   7.983
   48    HB3  ASN   8           HB1      ASN   8  16.711   1.107   6.620
   49   HD21  ASN   8          HD21      ASN   8  15.509  -1.516   8.573
   50   HD22  ASN   8          HD22      ASN   8  13.852  -1.363   8.102
   51    H    LEU   9           HN       LEU   9  17.200  -2.777   4.459
   52    HA   LEU   9           HA       LEU   9  16.079  -1.151   2.291
   53    HB2  LEU   9           HB2      LEU   9  17.364  -3.883   2.277
   54    HB3  LEU   9           HB1      LEU   9  16.576  -3.183   0.880
   55    HG   LEU   9           HG       LEU   9  18.868  -2.837   0.536
   56   HD11  LEU   9          HD11      LEU   9  19.143  -0.429   0.574
   57   HD12  LEU   9          HD12      LEU   9  17.806  -0.277   1.710
   58   HD13  LEU   9          HD13      LEU   9  17.511  -0.865   0.074
   59   HD21  LEU   9          HD21      LEU   9  19.061  -1.800   3.361
   60   HD22  LEU   9          HD22      LEU   9  20.377  -1.851   2.187
   61   HD23  LEU   9          HD23      LEU   9  19.662  -3.351   2.775
   62    H    ALA  10           HN       ALA  10  14.169  -1.723   1.285
   63    HA   ALA  10           HA       ALA  10  12.422  -3.461   2.846
   64    HB1  ALA  10           HB1      ALA  10  11.803  -1.598   0.556
   65    HB2  ALA  10           HB2      ALA  10  11.589  -1.246   2.269
   66    HB3  ALA  10           HB3      ALA  10  10.615  -2.495   1.497
   67    HA   PRO  11           HA       PRO  11  13.033  -6.753  -0.086
   68    HB2  PRO  11           HB2      PRO  11  11.098  -8.411   0.824
   69    HB3  PRO  11           HB1      PRO  11  12.623  -8.166   1.681
   70    HG2  PRO  11           HG2      PRO  11   9.936  -6.949   2.199
   71    HG3  PRO  11           HG1      PRO  11  11.116  -7.592   3.357
   72    HD2  PRO  11           HD2      PRO  11  10.834  -4.937   2.856
   73    HD3  PRO  11           HD1      PRO  11  12.378  -5.671   3.330
   74    H    GLY  12           HN       GLY  12  12.011  -4.897  -1.555
   75    HA2  GLY  12           HA2      GLY  12  10.668  -4.564  -3.406
   76    HA3  GLY  12           HA1      GLY  12   9.996  -6.169  -3.141
   77    H    ALA  13           HN       ALA  13  10.055  -3.384  -0.990
   78    HA   ALA  13           HA       ALA  13   7.149  -3.153  -1.155
   79    HB1  ALA  13           HB1      ALA  13   8.625  -3.600   1.441
   80    HB2  ALA  13           HB2      ALA  13   7.572  -4.767   0.643
   81    HB3  ALA  13           HB3      ALA  13   6.904  -3.262   1.273
   82    H    ARG  14           HN       ARG  14   7.944  -1.221  -2.274
   83    HA   ARG  14           HA       ARG  14   8.530   0.922  -0.346
   84    HB2  ARG  14           HB2      ARG  14  10.564   0.445  -1.612
   85    HB3  ARG  14           HB1      ARG  14   9.683   0.606  -3.125
   86    HG2  ARG  14           HG2      ARG  14   9.320   2.958  -2.708
   87    HG3  ARG  14           HG1      ARG  14  10.092   2.822  -1.126
   88    HD2  ARG  14           HD2      ARG  14  11.435   2.279  -3.771
   89    HD3  ARG  14           HD1      ARG  14  11.593   3.766  -2.837
   90    HE   ARG  14           HE       ARG  14  12.348   1.910  -1.055
   91   HH11  ARG  14          HH11      ARG  14  13.287   2.445  -4.380
   92   HH12  ARG  14          HH12      ARG  14  14.888   1.820  -4.162
   93   HH21  ARG  14          HH21      ARG  14  14.443   1.084  -0.761
   94   HH22  ARG  14          HH22      ARG  14  15.546   1.040  -2.098
   95    H    CYS  15           HN       CYS  15   7.419   2.793  -0.624
   96    HA   CYS  15           HA       CYS  15   4.976   2.752  -2.021
   97    HB2  CYS  15           HB2      CYS  15   5.465   4.092   0.022
   98    HB3  CYS  15           HB1      CYS  15   6.523   5.118  -0.932
   99    H    GLY  16           HN       GLY  16   4.966   2.614  -4.194
  100    HA2  GLY  16           HA2      GLY  16   7.132   3.726  -5.748
  101    HA3  GLY  16           HA1      GLY  16   5.791   2.771  -6.358
  102    H    VAL  17           HN       VAL  17   4.034   4.765  -4.792
  103    HA   VAL  17           HA       VAL  17   3.269   6.315  -6.997
  104    HB   VAL  17           HB       VAL  17   2.685   6.896  -4.094
  105   HG11  VAL  17          HG11      VAL  17   1.214   7.665  -6.612
  106   HG12  VAL  17          HG12      VAL  17   2.126   8.748  -5.560
  107   HG13  VAL  17          HG13      VAL  17   0.657   7.973  -4.966
  108   HG21  VAL  17          HG21      VAL  17   0.646   5.573  -4.414
  109   HG22  VAL  17          HG22      VAL  17   2.096   4.597  -4.645
  110   HG23  VAL  17          HG23      VAL  17   1.178   5.155  -6.043
  111    H    CYS  18           HN       CYS  18   5.359   7.050  -4.254
  112    HA   CYS  18           HA       CYS  18   5.920   9.674  -5.457
  113    HB2  CYS  18           HB2      CYS  18   6.699  10.386  -3.258
  114    HB3  CYS  18           HB1      CYS  18   5.060   9.752  -3.143
  115    H    GLY  19           HN       GLY  19   7.287   6.646  -4.418
  116    HA2  GLY  19           HA2      GLY  19   9.263   5.782  -5.450
  117    HA3  GLY  19           HA1      GLY  19   9.845   7.430  -5.635
  118    H    ASP  20           HN       ASP  20   8.698   7.693  -2.730
  119    HA   ASP  20           HA       ASP  20  11.289   7.112  -1.514
  120    HB2  ASP  20           HB2      ASP  20  10.501   9.388  -1.266
  121    HB3  ASP  20           HB1      ASP  20   8.972   8.825  -0.598
  122    H    GLY  21           HN       GLY  21  11.562   5.803   0.236
  123    HA2  GLY  21           HA2      GLY  21   9.207   4.197   1.007
  124    HA3  GLY  21           HA1      GLY  21  10.845   3.569   0.932
  125    H    THR  22           HN       THR  22  10.423   6.735   2.221
  126    HA   THR  22           HA       THR  22  11.445   5.870   4.765
  127    HB   THR  22           HB       THR  22  10.490   8.620   3.929
  128    HG1  THR  22           HG1      THR  22  12.178   8.303   2.618
  129   HG21  THR  22          HG21      THR  22  10.664   8.356   6.354
  130   HG22  THR  22          HG22      THR  22  11.941   9.412   5.748
  131   HG23  THR  22          HG23      THR  22  12.308   7.742   6.179
  132    H    ASP  23           HN       ASP  23  10.206   5.074   6.310
  133    HA   ASP  23           HA       ASP  23   8.437   4.568   7.627
  134    HB2  ASP  23           HB2      ASP  23   8.098   7.521   7.221
  135    HB3  ASP  23           HB1      ASP  23   6.901   6.614   8.139
  136    H    VAL  24           HN       VAL  24   7.857   3.304   5.621
  137    HA   VAL  24           HA       VAL  24   5.402   4.180   4.326
  138    HB   VAL  24           HB       VAL  24   5.596   1.899   3.178
  139   HG11  VAL  24          HG11      VAL  24   7.296   2.678   1.623
  140   HG12  VAL  24          HG12      VAL  24   7.835   3.880   2.797
  141   HG13  VAL  24          HG13      VAL  24   6.222   3.996   2.092
  142   HG21  VAL  24          HG21      VAL  24   7.060   0.814   4.777
  143   HG22  VAL  24          HG22      VAL  24   8.316   2.014   4.474
  144   HG23  VAL  24          HG23      VAL  24   7.845   0.893   3.199
  145    H    LEU  25           HN       LEU  25   3.411   3.302   4.662
  146    HA   LEU  25           HA       LEU  25   3.064   1.616   7.005
  147    HB2  LEU  25           HB2      LEU  25   1.053   2.893   5.138
  148    HB3  LEU  25           HB1      LEU  25   0.638   1.967   6.569
  149    HG   LEU  25           HG       LEU  25   2.087   4.612   6.486
  150   HD11  LEU  25          HD11      LEU  25  -0.311   4.755   6.083
  151   HD12  LEU  25          HD12      LEU  25   0.112   5.435   7.653
  152   HD13  LEU  25          HD13      LEU  25  -0.621   3.835   7.555
  153   HD21  LEU  25          HD21      LEU  25   3.016   3.276   8.265
  154   HD22  LEU  25          HD22      LEU  25   1.404   2.843   8.829
  155   HD23  LEU  25          HD23      LEU  25   1.962   4.511   8.951
  156    H    ARG  26           HN       ARG  26   2.192  -0.465   6.940
  157    HA   ARG  26           HA       ARG  26   2.277  -1.693   4.274
  158    HB2  ARG  26           HB2      ARG  26   2.910  -2.813   6.993
  159    HB3  ARG  26           HB1      ARG  26   2.546  -3.866   5.633
  160    HG2  ARG  26           HG2      ARG  26   4.871  -3.747   5.659
  161    HG3  ARG  26           HG1      ARG  26   4.400  -2.613   4.395
  162    HD2  ARG  26           HD2      ARG  26   6.094  -1.561   5.685
  163    HD3  ARG  26           HD1      ARG  26   4.567  -0.787   6.107
  164    HE   ARG  26           HE       ARG  26   4.986  -2.871   7.912
  165   HH11  ARG  26          HH11      ARG  26   6.404   0.230   7.113
  166   HH12  ARG  26          HH12      ARG  26   7.110   0.449   8.684
  167   HH21  ARG  26          HH21      ARG  26   5.892  -2.574   9.974
  168   HH22  ARG  26          HH22      ARG  26   6.813  -1.145  10.315
  169    H    CYS  27           HN       CYS  27   0.602  -2.763   3.498
  170    HA   CYS  27           HA       CYS  27  -1.973  -2.336   4.541
  171    HB2  CYS  27           HB2      CYS  27  -1.240  -2.814   2.110
  172    HB3  CYS  27           HB1      CYS  27  -1.300  -4.523   2.557
  173    H    THR  28           HN       THR  28  -3.349  -3.625   5.700
  174    HA   THR  28           HA       THR  28  -2.149  -5.853   7.126
  175    HB   THR  28           HB       THR  28  -4.337  -5.838   8.388
  176    HG1  THR  28           HG1      THR  28  -4.829  -3.304   7.254
  177   HG21  THR  28          HG21      THR  28  -3.834  -3.779   9.621
  178   HG22  THR  28          HG22      THR  28  -2.797  -3.240   8.299
  179   HG23  THR  28          HG23      THR  28  -2.361  -4.669   9.236
  180    H    HIS  29           HN       HIS  29  -4.411  -5.315   4.557
  181    HA   HIS  29           HA       HIS  29  -5.544  -7.986   4.793
  182    HB2  HIS  29           HB2      HIS  29  -6.141  -5.677   2.946
  183    HB3  HIS  29           HB1      HIS  29  -6.875  -7.265   2.747
  184    HD1  HIS  29           HD1      HIS  29  -9.114  -7.407   3.780
  185    HD2  HIS  29           HD2      HIS  29  -6.660  -4.724   5.795
  186    HE1  HIS  29           HE1      HIS  29 -10.523  -6.446   5.618
  187    HE2  HIS  29           HE2      HIS  29  -9.068  -4.731   6.739
  188    H    CYS  30           HN       CYS  30  -3.083  -6.352   3.067
  189    HA   CYS  30           HA       CYS  30  -2.307  -8.848   1.834
  190    HB2  CYS  30           HB2      CYS  30  -2.275  -8.142  -0.400
  191    HB3  CYS  30           HB1      CYS  30  -3.802  -7.491   0.184
  192    H    ALA  31           HN       ALA  31  -0.178  -8.006   0.373
  193    HA   ALA  31           HA       ALA  31   1.453  -6.663   2.398
  194    HB1  ALA  31           HB1      ALA  31   2.314  -8.414   0.099
  195    HB2  ALA  31           HB2      ALA  31   2.181  -8.915   1.786
  196    HB3  ALA  31           HB3      ALA  31   3.376  -7.706   1.316
  197    H    ALA  32           HN       ALA  32   1.792  -4.595   2.037
  198    HA   ALA  32           HA       ALA  32   2.838  -3.609  -0.421
  199    HB1  ALA  32           HB1      ALA  32   1.041  -2.033  -0.973
  200    HB2  ALA  32           HB2      ALA  32   0.050  -2.701   0.324
  201    HB3  ALA  32           HB3      ALA  32   0.466  -3.699  -1.068
  202    H    ALA  33           HN       ALA  33   4.250  -2.127   0.199
  203    HA   ALA  33           HA       ALA  33   3.778  -0.646   2.696
  204    HB1  ALA  33           HB1      ALA  33   6.300  -1.070   1.097
  205    HB2  ALA  33           HB2      ALA  33   5.891  -1.796   2.651
  206    HB3  ALA  33           HB3      ALA  33   6.181  -0.058   2.536
  207    H    PHE  34           HN       PHE  34   2.881   1.267   2.429
  208    HA   PHE  34           HA       PHE  34   3.700   2.998   0.230
  209    HB2  PHE  34           HB2      PHE  34   1.393   3.369  -0.509
  210    HB3  PHE  34           HB1      PHE  34   1.822   1.672  -0.679
  211    HD1  PHE  34           HD2      PHE  34   0.957   0.017   0.977
  212    HD2  PHE  34           HD1      PHE  34  -0.391   4.053   0.884
  213    HE1  PHE  34           HE2      PHE  34  -1.010  -0.612   2.312
  214    HE2  PHE  34           HE1      PHE  34  -2.361   3.432   2.221
  215    HZ   PHE  34           HZ       PHE  34  -2.673   1.095   2.936
  216    H    HIS  35           HN       HIS  35   2.880   5.203   0.519
  217    HA   HIS  35           HA       HIS  35   2.385   5.837   3.325
  218    HB2  HIS  35           HB2      HIS  35   2.778   7.702   0.972
  219    HB3  HIS  35           HB1      HIS  35   2.665   8.186   2.661
  220    HD2  HIS  35           HD2      HIS  35   4.826   6.179   3.978
  221    HE1  HIS  35           HE1      HIS  35   7.436   7.761   1.043
  222    HE2  HIS  35           HE2      HIS  35   7.292   6.726   3.362
  223    H    TRP  36           HN       TRP  36   0.450   6.434   4.079
  224    HA   TRP  36           HA       TRP  36  -1.913   5.938   2.770
  225    HB2  TRP  36           HB2      TRP  36  -1.750   6.244   5.200
  226    HB3  TRP  36           HB1      TRP  36  -1.441   7.963   4.971
  227    HD1  TRP  36           HD1      TRP  36  -3.508   9.486   5.036
  228    HE1  TRP  36           HE1      TRP  36  -6.056   9.130   4.908
  229    HE3  TRP  36           HE3      TRP  36  -3.574   4.477   3.999
  230    HZ2  TRP  36           HZ2      TRP  36  -7.850   7.004   4.425
  231    HZ3  TRP  36           HZ3      TRP  36  -5.749   3.360   3.716
  232    HH2  TRP  36           HH2      TRP  36  -7.841   4.599   3.926
  233    H    ARG  37           HN       ARG  37  -0.229   9.063   3.052
  234    HA   ARG  37           HA       ARG  37  -2.284  10.481   1.654
  235    HB2  ARG  37           HB2      ARG  37   0.527  11.306   2.373
  236    HB3  ARG  37           HB1      ARG  37  -0.692  12.382   1.703
  237    HG2  ARG  37           HG2      ARG  37  -0.867  10.929   4.333
  238    HG3  ARG  37           HG1      ARG  37  -0.513  12.642   4.112
  239    HD2  ARG  37           HD2      ARG  37  -2.722  12.926   3.043
  240    HD3  ARG  37           HD1      ARG  37  -3.069  11.229   3.362
  241    HE   ARG  37           HE       ARG  37  -2.374  12.845   5.672
  242   HH11  ARG  37          HH11      ARG  37  -4.919  11.490   3.689
  243   HH12  ARG  37          HH12      ARG  37  -6.131  11.621   4.926
  244   HH21  ARG  37          HH21      ARG  37  -3.965  13.045   7.295
  245   HH22  ARG  37          HH22      ARG  37  -5.583  12.501   6.982
  246    H    CYS  38           HN       CYS  38   0.094   8.428   0.529
  247    HA   CYS  38           HA       CYS  38   0.374   9.804  -2.021
  248    HB2  CYS  38           HB2      CYS  38   1.550   7.242  -0.953
  249    HB3  CYS  38           HB1      CYS  38   1.743   7.752  -2.626
  250    H    HIS  39           HN       HIS  39  -1.547   7.366  -0.537
  251    HA   HIS  39           HA       HIS  39  -2.621   6.567  -3.153
  252    HB2  HIS  39           HB2      HIS  39  -2.673   5.290  -0.448
  253    HB3  HIS  39           HB1      HIS  39  -3.956   4.921  -1.594
  254    HD1  HIS  39           HD1      HIS  39  -3.498   3.010  -3.089
  255    HD2  HIS  39           HD2      HIS  39   0.009   4.729  -1.673
  256    HE1  HIS  39           HE1      HIS  39  -1.652   1.474  -3.827
  257    HE2  HIS  39           HE2      HIS  39   0.462   2.527  -2.956
  258    H    PHE  40           HN       PHE  40  -3.559   7.857  -0.017
  259    HA   PHE  40           HA       PHE  40  -6.141   8.668  -1.180
  260    HB2  PHE  40           HB2      PHE  40  -5.481   7.906   1.678
  261    HB3  PHE  40           HB1      PHE  40  -7.023   8.575   1.158
  262    HD1  PHE  40           HD1      PHE  40  -4.783   5.663   0.898
  263    HD2  PHE  40           HD2      PHE  40  -8.668   7.212   0.124
  264    HE1  PHE  40           HE1      PHE  40  -5.584   3.394   0.389
  265    HE2  PHE  40           HE2      PHE  40  -9.477   4.946  -0.382
  266    HZ   PHE  40           HZ       PHE  40  -7.948   3.037  -0.242
  267    HA   PRO  41           HA       PRO  41  -4.685  12.759  -0.478
  268    HB2  PRO  41           HB2      PRO  41  -7.026  14.100  -0.663
  269    HB3  PRO  41           HB1      PRO  41  -6.223  13.389  -2.066
  270    HG2  PRO  41           HG2      PRO  41  -8.510  12.333  -0.454
  271    HG3  PRO  41           HG1      PRO  41  -8.295  12.347  -2.214
  272    HD2  PRO  41           HD2      PRO  41  -7.831  10.151  -0.688
  273    HD3  PRO  41           HD1      PRO  41  -6.950  10.486  -2.189
  274    H    ALA  42           HN       ALA  42  -5.409  14.784   0.861
  275    HA   ALA  42           HA       ALA  42  -5.105  14.087   3.554
  276    HB1  ALA  42           HB1      ALA  42  -6.092  16.705   2.435
  277    HB2  ALA  42           HB2      ALA  42  -4.403  16.239   2.622
  278    HB3  ALA  42           HB3      ALA  42  -5.423  16.444   4.045
  279    H    GLY  43           HN       GLY  43  -7.990  14.871   1.701
  280    HA2  GLY  43           HA2      GLY  43  -9.747  15.273   3.859
  281    HA3  GLY  43           HA1      GLY  43 -10.220  14.849   2.224
  282    H    THR  44           HN       THR  44  -8.485  12.329   2.571
  283    HA   THR  44           HA       THR  44 -10.641  10.736   3.691
  284    HB   THR  44           HB       THR  44  -8.062   9.732   2.479
  285    HG1  THR  44           HG1      THR  44  -9.986  11.124   1.291
  286   HG21  THR  44          HG21      THR  44 -10.795   8.462   2.722
  287   HG22  THR  44          HG22      THR  44  -9.419   8.107   3.766
  288   HG23  THR  44          HG23      THR  44  -9.347   7.713   2.048
  289    H    SER  45           HN       SER  45 -10.549   9.658   5.596
  290    HA   SER  45           HA       SER  45  -8.406  10.472   7.381
  291    HB2  SER  45           HB2      SER  45 -10.960   8.971   7.999
  292    HB3  SER  45           HB1      SER  45  -9.883   9.739   9.167
  293    HG   SER  45           HG       SER  45 -11.666  10.904   7.336
  294    H    ARG  46           HN       ARG  46  -6.991   9.147   8.360
  295    HA   ARG  46           HA       ARG  46  -6.469   6.610   7.152
  296    HB2  ARG  46           HB2      ARG  46  -4.698   8.180   7.902
  297    HB3  ARG  46           HB1      ARG  46  -5.183   7.895   9.566
  298    HG2  ARG  46           HG2      ARG  46  -4.609   5.512   9.292
  299    HG3  ARG  46           HG1      ARG  46  -4.042   5.866   7.658
  300    HD2  ARG  46           HD2      ARG  46  -2.939   6.950  10.247
  301    HD3  ARG  46           HD1      ARG  46  -2.153   5.817   9.149
  302    HE   ARG  46           HE       ARG  46  -2.844   8.360   7.968
  303   HH11  ARG  46          HH11      ARG  46  -0.401   6.537   9.681
  304   HH12  ARG  46          HH12      ARG  46   0.902   7.556   9.164
  305   HH21  ARG  46          HH21      ARG  46  -1.130   9.707   7.286
  306   HH22  ARG  46          HH22      ARG  46   0.490   9.355   7.791
  307    HA   PRO  47           HA       PRO  47  -9.030   4.373  10.114
  308    HB2  PRO  47           HB2      PRO  47  -8.105   1.999   8.677
  309    HB3  PRO  47           HB1      PRO  47  -9.742   2.638   8.836
  310    HG2  PRO  47           HG2      PRO  47  -8.377   2.703   6.505
  311    HG3  PRO  47           HG1      PRO  47  -9.558   3.945   6.958
  312    HD2  PRO  47           HD2      PRO  47  -6.568   4.033   7.085
  313    HD3  PRO  47           HD1      PRO  47  -7.718   5.294   6.590
  314    H    GLY  48           HN       GLY  48  -8.415   3.645  12.049
  315    HA2  GLY  48           HA2      GLY  48  -5.647   2.992  12.554
  316    HA3  GLY  48           HA1      GLY  48  -6.944   3.055  13.740
  317    H    THR  49           HN       THR  49  -8.720   1.327  12.460
  318    HA   THR  49           HA       THR  49  -7.385  -1.190  13.081
  319    HB   THR  49           HB       THR  49 -10.336  -0.969  12.632
  320    HG1  THR  49           HG1      THR  49  -9.756  -0.594  15.233
  321   HG21  THR  49          HG21      THR  49  -8.607  -2.513  14.559
  322   HG22  THR  49          HG22      THR  49  -9.306  -3.144  13.068
  323   HG23  THR  49          HG23      THR  49 -10.357  -2.665  14.402
  324    H    GLY  50           HN       GLY  50  -6.570  -2.235  11.390
  325    HA2  GLY  50           HA2      GLY  50  -6.609  -3.465   9.438
  326    HA3  GLY  50           HA1      GLY  50  -8.288  -2.993   9.221
  327    H    LEU  51           HN       LEU  51  -5.129  -1.323   9.271
  328    HA   LEU  51           HA       LEU  51  -5.828   0.577   7.304
  329    HB2  LEU  51           HB2      LEU  51  -3.859   0.566   8.976
  330    HB3  LEU  51           HB1      LEU  51  -3.031  -0.438   7.807
  331    HG   LEU  51           HG       LEU  51  -2.403   1.978   7.737
  332   HD11  LEU  51          HD11      LEU  51  -3.668   0.900   5.226
  333   HD12  LEU  51          HD12      LEU  51  -2.030   0.569   5.793
  334   HD13  LEU  51          HD13      LEU  51  -2.484   2.205   5.309
  335   HD21  LEU  51          HD21      LEU  51  -3.923   3.586   6.770
  336   HD22  LEU  51          HD22      LEU  51  -4.630   2.888   8.227
  337   HD23  LEU  51          HD23      LEU  51  -5.181   2.358   6.639
  338    H    ARG  52           HN       ARG  52  -6.069   0.326   5.156
  339    HA   ARG  52           HA       ARG  52  -4.877  -2.029   3.889
  340    HB2  ARG  52           HB2      ARG  52  -6.991  -2.511   2.736
  341    HB3  ARG  52           HB1      ARG  52  -7.151  -2.647   4.481
  342    HG2  ARG  52           HG2      ARG  52  -8.076  -0.318   4.462
  343    HG3  ARG  52           HG1      ARG  52  -8.090  -0.449   2.703
  344    HD2  ARG  52           HD2      ARG  52  -9.642  -2.232   2.751
  345    HD3  ARG  52           HD1      ARG  52  -9.448  -2.441   4.489
  346    HE   ARG  52           HE       ARG  52 -10.375   0.164   3.955
  347   HH11  ARG  52          HH11      ARG  52 -11.461  -3.157   3.856
  348   HH12  ARG  52          HH12      ARG  52 -13.117  -2.762   4.193
  349   HH21  ARG  52          HH21      ARG  52 -12.558   0.689   4.414
  350   HH22  ARG  52          HH22      ARG  52 -13.737  -0.580   4.512
  351    H    CYS  53           HN       CYS  53  -4.400  -1.851   1.749
  352    HA   CYS  53           HA       CYS  53  -3.864   0.773   0.795
  353    HB2  CYS  53           HB2      CYS  53  -2.774  -0.314  -1.045
  354    HB3  CYS  53           HB1      CYS  53  -2.434  -1.266   0.396
  355    H    ARG  54           HN       ARG  54  -4.369   1.078  -1.731
  356    HA   ARG  54           HA       ARG  54  -7.049   1.823  -1.854
  357    HB2  ARG  54           HB2      ARG  54  -5.427   2.916  -3.238
  358    HB3  ARG  54           HB1      ARG  54  -5.015   1.414  -4.045
  359    HG2  ARG  54           HG2      ARG  54  -6.336   2.693  -5.535
  360    HG3  ARG  54           HG1      ARG  54  -7.332   1.356  -4.962
  361    HD2  ARG  54           HD2      ARG  54  -8.674   3.336  -4.964
  362    HD3  ARG  54           HD1      ARG  54  -8.329   2.912  -3.288
  363    HE   ARG  54           HE       ARG  54  -6.370   4.711  -4.109
  364   HH11  ARG  54          HH11      ARG  54  -9.833   4.682  -3.604
  365   HH12  ARG  54          HH12      ARG  54  -9.919   6.375  -3.240
  366   HH21  ARG  54          HH21      ARG  54  -6.483   6.942  -3.602
  367   HH22  ARG  54          HH22      ARG  54  -8.026   7.648  -3.226
  368    H    SER  55           HN       SER  55  -5.432  -0.961  -3.365
  369    HA   SER  55           HA       SER  55  -7.658  -1.952  -4.735
  370    HB2  SER  55           HB2      SER  55  -5.302  -2.657  -5.117
  371    HB3  SER  55           HB1      SER  55  -5.341  -3.531  -3.590
  372    HG   SER  55           HG       SER  55  -6.785  -4.956  -4.430
  373    H    CYS  56           HN       CYS  56  -6.470  -2.633  -1.470
  374    HA   CYS  56           HA       CYS  56  -8.483  -4.559  -0.875
  375    HB2  CYS  56           HB2      CYS  56  -6.583  -3.006   0.860
  376    HB3  CYS  56           HB1      CYS  56  -7.706  -4.196   1.505
  377    H    SER  57           HN       SER  57  -8.356  -1.082  -0.651
  378    HA   SER  57           HA       SER  57 -10.390  -0.896   1.350
  379    HB2  SER  57           HB2      SER  57 -10.360   1.524   0.866
  380    HB3  SER  57           HB1      SER  57  -8.737   0.885   1.108
  381    HG   SER  57           HG       SER  57  -9.022   0.642  -1.405
  382    H    GLY  58           HN       GLY  58 -10.527  -1.728  -1.861
  383    HA2  GLY  58           HA2      GLY  58 -13.391  -1.129  -1.957
  384    HA3  GLY  58           HA1      GLY  58 -12.386  -0.565  -3.285
  385    H    ASP  59           HN       ASP  59 -13.437  -1.851  -4.797
  386    HA   ASP  59           HA       ASP  59 -13.367  -4.742  -4.434
  387    HB2  ASP  59           HB2      ASP  59 -14.766  -4.887  -6.375
  388    HB3  ASP  59           HB1      ASP  59 -15.395  -3.574  -5.386
  389    H    VAL  60           HN       VAL  60 -12.615  -6.061  -6.314
  390    HA   VAL  60           HA       VAL  60 -10.370  -4.796  -7.712
  391    HB   VAL  60           HB       VAL  60  -9.295  -7.084  -7.643
  392   HG11  VAL  60          HG11      VAL  60  -8.478  -5.257  -6.284
  393   HG12  VAL  60          HG12      VAL  60  -8.407  -6.761  -5.366
  394   HG13  VAL  60          HG13      VAL  60  -9.696  -5.598  -5.055
  395   HG21  VAL  60          HG21      VAL  60 -11.328  -7.538  -5.468
  396   HG22  VAL  60          HG22      VAL  60  -9.965  -8.592  -5.842
  397   HG23  VAL  60          HG23      VAL  60 -11.263  -8.380  -7.016
  398    H    THR  61           HN       THR  61 -12.939  -4.903  -8.744
  399    HA   THR  61           HA       THR  61 -13.199  -7.184 -10.482
  400    HB   THR  61           HB       THR  61 -15.098  -5.946 -11.480
  401    HG1  THR  61           HG1      THR  61 -14.461  -3.923  -9.556
  402   HG21  THR  61          HG21      THR  61 -16.517  -5.893  -9.470
  403   HG22  THR  61          HG22      THR  61 -15.074  -5.982  -8.461
  404   HG23  THR  61          HG23      THR  61 -15.496  -7.329  -9.518
  405    HA   PRO  62           HA       PRO  62 -10.443  -5.690 -13.660
  406    HB2  PRO  62           HB2      PRO  62 -12.138  -7.362 -15.424
  407    HB3  PRO  62           HB1      PRO  62 -10.392  -7.411 -15.171
  408    HG2  PRO  62           HG2      PRO  62 -11.988  -9.302 -14.166
  409    HG3  PRO  62           HG1      PRO  62 -10.572  -8.721 -13.272
  410    HD2  PRO  62           HD2      PRO  62 -13.465  -8.087 -12.865
  411    HD3  PRO  62           HD1      PRO  62 -12.179  -8.326 -11.664
  412    H    ALA  63           HN       ALA  63 -10.558  -3.912 -14.895
  413    HA   ALA  63           HA       ALA  63 -13.225  -2.958 -15.677
  414    HB1  ALA  63           HB1      ALA  63 -11.975  -1.481 -14.180
  415    HB2  ALA  63           HB2      ALA  63 -12.230  -0.728 -15.755
  416    HB3  ALA  63           HB3      ALA  63 -10.655  -1.411 -15.347
  417    HA   PRO  64           HA       PRO  64 -12.100  -3.869 -19.918
  418    HB2  PRO  64           HB2      PRO  64 -14.301  -1.981 -20.518
  419    HB3  PRO  64           HB1      PRO  64 -14.090  -3.659 -21.026
  420    HG2  PRO  64           HG2      PRO  64 -15.900  -3.000 -19.178
  421    HG3  PRO  64           HG1      PRO  64 -14.972  -4.507 -19.061
  422    HD2  PRO  64           HD2      PRO  64 -14.593  -1.926 -17.588
  423    HD3  PRO  64           HD1      PRO  64 -14.470  -3.595 -16.992
  424    H    VAL  65           HN       VAL  65 -10.151  -2.800 -20.136
  425    HA   VAL  65           HA       VAL  65 -10.129   0.090 -20.394
  426    HB   VAL  65           HB       VAL  65  -7.849  -1.885 -20.538
  427   HG11  VAL  65          HG11      VAL  65  -6.394   0.072 -20.261
  428   HG12  VAL  65          HG12      VAL  65  -7.802   1.126 -20.371
  429   HG13  VAL  65          HG13      VAL  65  -7.323   0.149 -21.757
  430   HG21  VAL  65          HG21      VAL  65  -7.284  -1.057 -18.293
  431   HG22  VAL  65          HG22      VAL  65  -8.861  -1.845 -18.337
  432   HG23  VAL  65          HG23      VAL  65  -8.754  -0.085 -18.295
  433    H    GLU  66           HN       GLU  66  -9.597  -2.761 -22.303
  434    HA   GLU  66           HA       GLU  66  -9.080  -1.196 -24.701
  435    HB2  GLU  66           HB2      GLU  66  -9.180  -4.187 -24.267
  436    HB3  GLU  66           HB1      GLU  66  -8.763  -3.405 -25.786
  437    HG2  GLU  66           HG2      GLU  66  -6.832  -2.358 -24.704
  438    HG3  GLU  66           HG1      GLU  66  -7.246  -3.175 -23.198
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   7.774 -24.058 -12.224
    2    H2   GLY   1           HT2      GLY   1   7.778 -23.383 -13.778
    3    H3   GLY   1           HT3      GLY   1   7.423 -25.020 -13.573
    4    HA2  GLY   1           HA1      GLY   1   5.413 -23.766 -14.003
    5    HA3  GLY   1           HA2      GLY   1   5.395 -24.479 -12.396
    6    H    ALA   2           HN       ALA   2   3.954 -22.143 -13.434
    7    HA   ALA   2           HA       ALA   2   5.156 -19.751 -12.519
    8    HB1  ALA   2           HB1      ALA   2   2.244 -20.368 -12.981
    9    HB2  ALA   2           HB2      ALA   2   3.383 -19.758 -14.183
   10    HB3  ALA   2           HB3      ALA   2   2.943 -18.759 -12.798
   11    H    MET   3           HN       MET   3   3.503 -22.276 -10.883
   12    HA   MET   3           HA       MET   3   2.661 -20.777  -8.608
   13    HB2  MET   3           HB2      MET   3   2.290 -22.950  -7.555
   14    HB3  MET   3           HB1      MET   3   1.639 -22.930  -9.189
   15    HG2  MET   3           HG2      MET   3   3.621 -24.123  -9.985
   16    HG3  MET   3           HG1      MET   3   4.252 -24.158  -8.340
   17    HE1  MET   3           HE1      MET   3   3.249 -27.887  -9.007
   18    HE2  MET   3           HE2      MET   3   4.552 -26.787  -8.555
   19    HE3  MET   3           HE3      MET   3   3.890 -26.745 -10.188
   20    H    GLU   4           HN       GLU   4   5.710 -21.765  -9.670
   21    HA   GLU   4           HA       GLU   4   6.849 -22.103  -7.023
   22    HB2  GLU   4           HB2      GLU   4   8.257 -21.907  -9.693
   23    HB3  GLU   4           HB1      GLU   4   8.956 -22.462  -8.179
   24    HG2  GLU   4           HG2      GLU   4   7.435 -24.373  -8.179
   25    HG3  GLU   4           HG1      GLU   4   6.746 -23.821  -9.705
   26    H    GLY   5           HN       GLY   5   6.339 -20.061  -6.132
   27    HA2  GLY   5           HA2      GLY   5   8.074 -17.898  -7.137
   28    HA3  GLY   5           HA1      GLY   5   6.397 -17.585  -6.725
   29    H    GLN   6           HN       GLN   6   8.540 -19.727  -4.939
   30    HA   GLN   6           HA       GLN   6   7.897 -18.369  -2.497
   31    HB2  GLN   6           HB2      GLN   6   9.818 -20.629  -3.077
   32    HB3  GLN   6           HB1      GLN   6   9.468 -20.022  -1.464
   33    HG2  GLN   6           HG2      GLN   6   7.456 -21.225  -3.353
   34    HG3  GLN   6           HG1      GLN   6   8.207 -22.049  -1.990
   35   HE21  GLN   6          HE21      GLN   6   8.125 -19.720  -0.260
   36   HE22  GLN   6          HE22      GLN   6   6.475 -19.517   0.207
   37    H    GLN   7           HN       GLN   7  10.535 -18.311  -4.757
   38    HA   GLN   7           HA       GLN   7  11.954 -16.421  -2.990
   39    HB2  GLN   7           HB2      GLN   7  13.166 -18.248  -5.072
   40    HB3  GLN   7           HB1      GLN   7  14.046 -17.137  -4.030
   41    HG2  GLN   7           HG2      GLN   7  13.310 -18.406  -2.071
   42    HG3  GLN   7           HG1      GLN   7  12.459 -19.529  -3.128
   43   HE21  GLN   7          HE21      GLN   7  14.580 -20.060  -1.244
   44   HE22  GLN   7          HE22      GLN   7  15.876 -20.762  -2.151
   45    H    ASN   8           HN       ASN   8   9.878 -15.725  -4.814
   46    HA   ASN   8           HA       ASN   8  11.406 -14.255  -6.863
   47    HB2  ASN   8           HB2      ASN   8   8.537 -15.215  -6.922
   48    HB3  ASN   8           HB1      ASN   8   9.240 -14.137  -8.123
   49   HD21  ASN   8          HD21      ASN   8  10.688 -14.942  -9.611
   50   HD22  ASN   8          HD22      ASN   8  10.936 -16.636  -9.847
   51    H    LEU   9           HN       LEU   9  10.837 -13.546  -4.046
   52    HA   LEU   9           HA       LEU   9   9.039 -11.252  -4.380
   53    HB2  LEU   9           HB2      LEU   9  10.152 -12.513  -1.868
   54    HB3  LEU   9           HB1      LEU   9   9.126 -11.096  -1.896
   55    HG   LEU   9           HG       LEU   9   7.720 -12.877  -1.291
   56   HD11  LEU   9          HD11      LEU   9   6.730 -11.430  -2.968
   57   HD12  LEU   9          HD12      LEU   9   6.140 -13.083  -3.129
   58   HD13  LEU   9          HD13      LEU   9   7.354 -12.467  -4.249
   59   HD21  LEU   9          HD21      LEU   9   7.558 -14.983  -2.525
   60   HD22  LEU   9          HD22      LEU   9   9.176 -14.727  -1.871
   61   HD23  LEU   9          HD23      LEU   9   8.865 -14.456  -3.585
   62    H    ALA  10           HN       ALA  10  10.730 -10.179  -5.648
   63    HA   ALA  10           HA       ALA  10  13.205  -9.412  -4.510
   64    HB1  ALA  10           HB1      ALA  10  11.600  -8.029  -6.658
   65    HB2  ALA  10           HB2      ALA  10  12.777  -9.314  -6.921
   66    HB3  ALA  10           HB3      ALA  10  13.305  -7.752  -6.297
   67    HA   PRO  11           HA       PRO  11  11.725  -6.651  -1.361
   68    HB2  PRO  11           HB2      PRO  11  14.412  -5.425  -1.723
   69    HB3  PRO  11           HB1      PRO  11  13.628  -6.006  -0.251
   70    HG2  PRO  11           HG2      PRO  11  15.575  -7.416  -1.395
   71    HG3  PRO  11           HG1      PRO  11  14.166  -8.221  -0.677
   72    HD2  PRO  11           HD2      PRO  11  14.803  -7.720  -3.553
   73    HD3  PRO  11           HD1      PRO  11  14.032  -9.127  -2.793
   74    H    GLY  12           HN       GLY  12  10.191  -5.481  -2.527
   75    HA2  GLY  12           HA2      GLY  12  11.189  -2.914  -3.596
   76    HA3  GLY  12           HA1      GLY  12   9.850  -3.781  -4.336
   77    H    ALA  13           HN       ALA  13  10.571  -3.253  -0.921
   78    HA   ALA  13           HA       ALA  13   7.822  -2.457  -0.487
   79    HB1  ALA  13           HB1      ALA  13   8.348  -2.627   1.876
   80    HB2  ALA  13           HB2      ALA  13  10.058  -2.830   1.499
   81    HB3  ALA  13           HB3      ALA  13   8.897  -4.067   1.020
   82    H    ARG  14           HN       ARG  14   7.951  -0.444  -1.635
   83    HA   ARG  14           HA       ARG  14   8.459   1.717   0.188
   84    HB2  ARG  14           HB2      ARG  14   9.975   2.984  -1.091
   85    HB3  ARG  14           HB1      ARG  14  10.655   1.365  -1.039
   86    HG2  ARG  14           HG2      ARG  14   8.955   2.235  -3.339
   87    HG3  ARG  14           HG1      ARG  14  10.658   2.665  -3.247
   88    HD2  ARG  14           HD2      ARG  14   9.566  -0.141  -3.132
   89    HD3  ARG  14           HD1      ARG  14  10.260   0.622  -4.562
   90    HE   ARG  14           HE       ARG  14  11.941   0.508  -2.191
   91   HH11  ARG  14          HH11      ARG  14  11.125  -0.855  -5.310
   92   HH12  ARG  14          HH12      ARG  14  12.640  -1.682  -5.483
   93   HH21  ARG  14          HH21      ARG  14  13.931  -0.562  -2.412
   94   HH22  ARG  14          HH22      ARG  14  14.252  -1.499  -3.839
   95    H    CYS  15           HN       CYS  15   7.447   3.678  -0.478
   96    HA   CYS  15           HA       CYS  15   5.000   3.363  -1.817
   97    HB2  CYS  15           HB2      CYS  15   5.271   5.102  -0.171
   98    HB3  CYS  15           HB1      CYS  15   6.596   5.821  -1.073
   99    H    GLY  16           HN       GLY  16   4.903   2.833  -3.913
  100    HA2  GLY  16           HA2      GLY  16   6.897   3.325  -5.825
  101    HA3  GLY  16           HA1      GLY  16   5.239   2.861  -6.180
  102    H    VAL  17           HN       VAL  17   4.241   5.283  -4.762
  103    HA   VAL  17           HA       VAL  17   4.106   7.048  -6.971
  104    HB   VAL  17           HB       VAL  17   3.423   7.595  -4.076
  105   HG11  VAL  17          HG11      VAL  17   3.609   9.641  -5.377
  106   HG12  VAL  17          HG12      VAL  17   1.922   9.314  -4.971
  107   HG13  VAL  17          HG13      VAL  17   2.519   8.980  -6.598
  108   HG21  VAL  17          HG21      VAL  17   2.230   5.647  -4.908
  109   HG22  VAL  17          HG22      VAL  17   1.691   6.558  -6.320
  110   HG23  VAL  17          HG23      VAL  17   1.124   7.006  -4.711
  111    H    CYS  18           HN       CYS  18   6.224   6.823  -4.220
  112    HA   CYS  18           HA       CYS  18   7.408   9.428  -4.891
  113    HB2  CYS  18           HB2      CYS  18   7.489   7.825  -2.336
  114    HB3  CYS  18           HB1      CYS  18   8.449   9.274  -2.608
  115    H    GLY  19           HN       GLY  19   8.105   6.023  -4.538
  116    HA2  GLY  19           HA2      GLY  19   9.965   4.871  -5.383
  117    HA3  GLY  19           HA1      GLY  19  10.772   6.412  -5.656
  118    H    ASP  20           HN       ASP  20   9.359   6.359  -2.662
  119    HA   ASP  20           HA       ASP  20  11.818   5.502  -1.309
  120    HB2  ASP  20           HB2      ASP  20  11.951   7.919  -1.517
  121    HB3  ASP  20           HB1      ASP  20  10.313   8.099  -0.899
  122    H    GLY  21           HN       GLY  21  11.508   4.711   0.802
  123    HA2  GLY  21           HA2      GLY  21   8.680   4.241   1.521
  124    HA3  GLY  21           HA1      GLY  21   9.910   2.993   1.650
  125    H    THR  22           HN       THR  22  10.531   6.327   2.504
  126    HA   THR  22           HA       THR  22  11.250   5.598   5.180
  127    HB   THR  22           HB       THR  22  10.865   8.380   4.053
  128    HG1  THR  22           HG1      THR  22  12.372   7.541   2.728
  129   HG21  THR  22          HG21      THR  22  11.097   8.283   6.491
  130   HG22  THR  22          HG22      THR  22  12.518   9.015   5.746
  131   HG23  THR  22          HG23      THR  22  12.580   7.346   6.314
  132    H    ASP  23           HN       ASP  23   9.977   5.555   6.935
  133    HA   ASP  23           HA       ASP  23   8.060   5.469   8.155
  134    HB2  ASP  23           HB2      ASP  23   7.910   8.238   6.983
  135    HB3  ASP  23           HB1      ASP  23   6.656   7.637   8.064
  136    H    VAL  24           HN       VAL  24   7.753   3.903   6.120
  137    HA   VAL  24           HA       VAL  24   5.506   4.711   4.467
  138    HB   VAL  24           HB       VAL  24   7.588   3.455   3.635
  139   HG11  VAL  24          HG11      VAL  24   6.100   1.130   4.826
  140   HG12  VAL  24          HG12      VAL  24   7.691   1.721   5.307
  141   HG13  VAL  24          HG13      VAL  24   7.459   1.010   3.708
  142   HG21  VAL  24          HG21      VAL  24   6.317   2.275   1.938
  143   HG22  VAL  24          HG22      VAL  24   5.630   3.864   2.272
  144   HG23  VAL  24          HG23      VAL  24   4.863   2.416   2.926
  145    H    LEU  25           HN       LEU  25   3.550   3.533   4.340
  146    HA   LEU  25           HA       LEU  25   2.904   2.073   6.798
  147    HB2  LEU  25           HB2      LEU  25   1.120   3.405   4.757
  148    HB3  LEU  25           HB1      LEU  25   0.530   2.469   6.118
  149    HG   LEU  25           HG       LEU  25   2.102   5.042   6.272
  150   HD11  LEU  25          HD11      LEU  25  -0.767   4.420   6.957
  151   HD12  LEU  25          HD12      LEU  25  -0.217   5.315   5.542
  152   HD13  LEU  25          HD13      LEU  25   0.039   5.976   7.157
  153   HD21  LEU  25          HD21      LEU  25   2.683   3.606   8.134
  154   HD22  LEU  25          HD22      LEU  25   0.980   3.297   8.463
  155   HD23  LEU  25          HD23      LEU  25   1.640   4.915   8.690
  156    H    ARG  26           HN       ARG  26   1.768   0.117   6.698
  157    HA   ARG  26           HA       ARG  26   2.245  -1.367   4.194
  158    HB2  ARG  26           HB2      ARG  26   3.697  -1.953   6.162
  159    HB3  ARG  26           HB1      ARG  26   2.247  -2.445   7.020
  160    HG2  ARG  26           HG2      ARG  26   3.277  -4.402   6.167
  161    HG3  ARG  26           HG1      ARG  26   1.831  -4.105   5.198
  162    HD2  ARG  26           HD2      ARG  26   3.186  -3.101   3.450
  163    HD3  ARG  26           HD1      ARG  26   4.634  -3.316   4.429
  164    HE   ARG  26           HE       ARG  26   3.264  -5.779   3.976
  165   HH11  ARG  26          HH11      ARG  26   5.532  -3.496   2.600
  166   HH12  ARG  26          HH12      ARG  26   6.217  -4.645   1.496
  167   HH21  ARG  26          HH21      ARG  26   4.195  -7.309   2.553
  168   HH22  ARG  26          HH22      ARG  26   5.473  -6.819   1.486
  169    H    CYS  27           HN       CYS  27   0.580  -2.578   3.369
  170    HA   CYS  27           HA       CYS  27  -2.038  -2.224   4.480
  171    HB2  CYS  27           HB2      CYS  27  -1.388  -2.518   1.972
  172    HB3  CYS  27           HB1      CYS  27  -1.424  -4.255   2.324
  173    H    THR  28           HN       THR  28  -3.348  -3.738   5.453
  174    HA   THR  28           HA       THR  28  -1.895  -5.802   6.890
  175    HB   THR  28           HB       THR  28  -4.041  -5.989   8.192
  176    HG1  THR  28           HG1      THR  28  -4.795  -3.558   6.939
  177   HG21  THR  28          HG21      THR  28  -2.191  -4.611   8.987
  178   HG22  THR  28          HG22      THR  28  -3.732  -3.844   9.361
  179   HG23  THR  28          HG23      THR  28  -2.761  -3.257   8.012
  180    H    HIS  29           HN       HIS  29  -4.390  -5.528   4.458
  181    HA   HIS  29           HA       HIS  29  -5.032  -8.362   4.660
  182    HB2  HIS  29           HB2      HIS  29  -6.221  -6.065   3.151
  183    HB3  HIS  29           HB1      HIS  29  -6.582  -7.719   2.671
  184    HD1  HIS  29           HD1      HIS  29  -8.400  -8.867   3.908
  185    HD2  HIS  29           HD2      HIS  29  -7.034  -5.489   5.907
  186    HE1  HIS  29           HE1      HIS  29  -9.971  -8.545   5.842
  187    HE2  HIS  29           HE2      HIS  29  -9.050  -6.570   7.108
  188    H    CYS  30           HN       CYS  30  -2.893  -6.384   2.944
  189    HA   CYS  30           HA       CYS  30  -2.078  -8.664   1.374
  190    HB2  CYS  30           HB2      CYS  30  -2.258  -7.727  -0.765
  191    HB3  CYS  30           HB1      CYS  30  -3.777  -7.275  -0.003
  192    H    ALA  31           HN       ALA  31  -0.176  -7.564  -0.163
  193    HA   ALA  31           HA       ALA  31   1.643  -6.460   1.843
  194    HB1  ALA  31           HB1      ALA  31   2.287  -7.946  -0.705
  195    HB2  ALA  31           HB2      ALA  31   2.280  -8.646   0.914
  196    HB3  ALA  31           HB3      ALA  31   3.451  -7.393   0.500
  197    H    ALA  32           HN       ALA  32   1.969  -4.355   1.650
  198    HA   ALA  32           HA       ALA  32   2.645  -3.138  -0.838
  199    HB1  ALA  32           HB1      ALA  32  -0.002  -2.363   0.386
  200    HB2  ALA  32           HB2      ALA  32   0.208  -3.263  -1.115
  201    HB3  ALA  32           HB3      ALA  32   0.771  -1.595  -1.001
  202    H    ALA  33           HN       ALA  33   4.090  -1.679  -0.352
  203    HA   ALA  33           HA       ALA  33   3.931  -0.242   2.216
  204    HB1  ALA  33           HB1      ALA  33   6.284   0.249   1.914
  205    HB2  ALA  33           HB2      ALA  33   6.269  -0.521   0.329
  206    HB3  ALA  33           HB3      ALA  33   6.018  -1.489   1.781
  207    H    PHE  34           HN       PHE  34   2.961   1.664   2.035
  208    HA   PHE  34           HA       PHE  34   3.690   3.453  -0.127
  209    HB2  PHE  34           HB2      PHE  34   1.354   3.867  -0.797
  210    HB3  PHE  34           HB1      PHE  34   1.835   2.206  -1.117
  211    HD1  PHE  34           HD2      PHE  34   0.965   0.375   0.281
  212    HD2  PHE  34           HD1      PHE  34  -0.378   4.385   0.758
  213    HE1  PHE  34           HE2      PHE  34  -0.981  -0.431   1.550
  214    HE2  PHE  34           HE1      PHE  34  -2.326   3.583   2.028
  215    HZ   PHE  34           HZ       PHE  34  -2.646   1.178   2.402
  216    H    HIS  35           HN       HIS  35   2.925   5.645   0.242
  217    HA   HIS  35           HA       HIS  35   2.494   6.215   3.066
  218    HB2  HIS  35           HB2      HIS  35   2.787   8.162   0.767
  219    HB3  HIS  35           HB1      HIS  35   2.796   8.562   2.476
  220    HD2  HIS  35           HD2      HIS  35   5.047   6.359   3.440
  221    HE1  HIS  35           HE1      HIS  35   7.448   8.316   0.548
  222    HE2  HIS  35           HE2      HIS  35   7.462   6.996   2.724
  223    H    TRP  36           HN       TRP  36   0.583   6.971   3.879
  224    HA   TRP  36           HA       TRP  36  -1.773   6.165   2.713
  225    HB2  TRP  36           HB2      TRP  36  -1.309   6.842   5.134
  226    HB3  TRP  36           HB1      TRP  36  -1.624   8.492   4.617
  227    HD1  TRP  36           HD1      TRP  36  -4.000   9.192   5.204
  228    HE1  TRP  36           HE1      TRP  36  -6.290   8.036   5.346
  229    HE3  TRP  36           HE3      TRP  36  -2.613   4.472   3.832
  230    HZ2  TRP  36           HZ2      TRP  36  -7.375   5.473   4.908
  231    HZ3  TRP  36           HZ3      TRP  36  -4.341   2.724   3.714
  232    HH2  TRP  36           HH2      TRP  36  -6.672   3.215   4.243
  233    H    ARG  37           HN       ARG  37  -0.472   9.464   2.804
  234    HA   ARG  37           HA       ARG  37  -2.593  10.726   1.464
  235    HB2  ARG  37           HB2      ARG  37   0.315  11.518   1.648
  236    HB3  ARG  37           HB1      ARG  37  -0.986  12.576   1.121
  237    HG2  ARG  37           HG2      ARG  37  -1.985  12.555   3.279
  238    HG3  ARG  37           HG1      ARG  37  -0.909  11.265   3.824
  239    HD2  ARG  37           HD2      ARG  37  -0.251  13.483   4.678
  240    HD3  ARG  37           HD1      ARG  37   0.998  12.733   3.688
  241    HE   ARG  37           HE       ARG  37  -0.625  14.429   2.104
  242   HH11  ARG  37          HH11      ARG  37   1.884  14.510   4.540
  243   HH12  ARG  37          HH12      ARG  37   2.503  16.049   4.042
  244   HH21  ARG  37          HH21      ARG  37   0.206  16.455   1.419
  245   HH22  ARG  37          HH22      ARG  37   1.551  17.158   2.261
  246    H    CYS  38           HN       CYS  38   0.115   8.930   0.247
  247    HA   CYS  38           HA       CYS  38   0.035  10.057  -2.394
  248    HB2  CYS  38           HB2      CYS  38   1.421   7.557  -1.417
  249    HB3  CYS  38           HB1      CYS  38   1.750   8.418  -2.919
  250    H    HIS  39           HN       HIS  39  -1.538   7.477  -0.749
  251    HA   HIS  39           HA       HIS  39  -2.482   6.350  -3.285
  252    HB2  HIS  39           HB2      HIS  39  -2.134   5.300  -0.556
  253    HB3  HIS  39           HB1      HIS  39  -3.605   4.776  -1.369
  254    HD1  HIS  39           HD1      HIS  39  -3.260   2.611  -2.475
  255    HD2  HIS  39           HD2      HIS  39   0.158   4.959  -2.624
  256    HE1  HIS  39           HE1      HIS  39  -1.549   1.220  -3.666
  257    HE2  HIS  39           HE2      HIS  39   0.433   2.752  -3.945
  258    H    PHE  40           HN       PHE  40  -3.582   7.914  -0.345
  259    HA   PHE  40           HA       PHE  40  -6.247   8.189  -1.567
  260    HB2  PHE  40           HB2      PHE  40  -5.481   8.017   1.354
  261    HB3  PHE  40           HB1      PHE  40  -7.098   8.413   0.778
  262    HD1  PHE  40           HD1      PHE  40  -4.597   5.778   1.154
  263    HD2  PHE  40           HD2      PHE  40  -8.517   6.720  -0.206
  264    HE1  PHE  40           HE1      PHE  40  -5.131   3.378   1.048
  265    HE2  PHE  40           HE2      PHE  40  -9.060   4.324  -0.314
  266    HZ   PHE  40           HZ       PHE  40  -7.373   2.652   0.286
  267    HA   PRO  41           HA       PRO  41  -4.382  12.359  -1.293
  268    HB2  PRO  41           HB2      PRO  41  -5.155  13.253  -3.689
  269    HB3  PRO  41           HB1      PRO  41  -3.818  12.109  -3.519
  270    HG2  PRO  41           HG2      PRO  41  -6.656  11.606  -4.317
  271    HG3  PRO  41           HG1      PRO  41  -5.166  10.919  -4.989
  272    HD2  PRO  41           HD2      PRO  41  -6.789   9.647  -3.154
  273    HD3  PRO  41           HD1      PRO  41  -5.069   9.287  -3.395
  274    H    ALA  42           HN       ALA  42  -7.594  11.302  -1.353
  275    HA   ALA  42           HA       ALA  42  -8.788  13.939  -1.478
  276    HB1  ALA  42           HB1      ALA  42  -9.941  11.948  -2.394
  277    HB2  ALA  42           HB2      ALA  42 -10.903  12.824  -1.203
  278    HB3  ALA  42           HB3      ALA  42 -10.097  11.322  -0.751
  279    H    GLY  43           HN       GLY  43  -7.002  12.546   0.802
  280    HA2  GLY  43           HA2      GLY  43  -6.656  13.244   2.991
  281    HA3  GLY  43           HA1      GLY  43  -8.142  14.179   2.895
  282    H    THR  44           HN       THR  44  -7.888  10.785   2.137
  283    HA   THR  44           HA       THR  44 -10.063  10.009   3.714
  284    HB   THR  44           HB       THR  44  -7.800   8.238   2.773
  285    HG1  THR  44           HG1      THR  44 -10.177   8.873   1.343
  286   HG21  THR  44          HG21      THR  44  -9.549   6.519   2.638
  287   HG22  THR  44          HG22      THR  44 -10.729   7.672   3.261
  288   HG23  THR  44          HG23      THR  44  -9.391   7.142   4.280
  289    H    SER  45           HN       SER  45 -10.214   9.071   5.735
  290    HA   SER  45           HA       SER  45  -7.967   9.566   7.507
  291    HB2  SER  45           HB2      SER  45 -10.778   8.613   8.115
  292    HB3  SER  45           HB1      SER  45  -9.577   9.107   9.309
  293    HG   SER  45           HG       SER  45 -10.795  10.710   7.309
  294    H    ARG  46           HN       ARG  46  -6.790   8.037   8.521
  295    HA   ARG  46           HA       ARG  46  -6.612   5.495   7.282
  296    HB2  ARG  46           HB2      ARG  46  -5.347   6.319   9.898
  297    HB3  ARG  46           HB1      ARG  46  -4.816   5.058   8.801
  298    HG2  ARG  46           HG2      ARG  46  -4.196   6.682   7.144
  299    HG3  ARG  46           HG1      ARG  46  -4.830   7.987   8.148
  300    HD2  ARG  46           HD2      ARG  46  -2.586   6.143   8.950
  301    HD3  ARG  46           HD1      ARG  46  -2.363   7.749   8.260
  302    HE   ARG  46           HE       ARG  46  -4.048   7.863  10.536
  303   HH11  ARG  46          HH11      ARG  46  -0.694   7.454   9.628
  304   HH12  ARG  46          HH12      ARG  46  -0.080   8.192  11.070
  305   HH21  ARG  46          HH21      ARG  46  -3.244   8.826  12.443
  306   HH22  ARG  46          HH22      ARG  46  -1.531   8.947  12.685
  307    HA   PRO  47           HA       PRO  47  -9.713   3.466   9.745
  308    HB2  PRO  47           HB2      PRO  47  -9.227   0.937   8.858
  309    HB3  PRO  47           HB1      PRO  47 -10.128   2.135   7.923
  310    HG2  PRO  47           HG2      PRO  47  -7.265   1.304   7.683
  311    HG3  PRO  47           HG1      PRO  47  -8.446   1.636   6.402
  312    HD2  PRO  47           HD2      PRO  47  -6.552   3.427   7.143
  313    HD3  PRO  47           HD1      PRO  47  -8.152   3.914   6.547
  314    H    GLY  48           HN       GLY  48  -9.716   2.609  11.734
  315    HA2  GLY  48           HA2      GLY  48  -7.148   1.825  12.890
  316    HA3  GLY  48           HA1      GLY  48  -8.616   2.205  13.780
  317    H    THR  49           HN       THR  49  -9.527   0.261  11.307
  318    HA   THR  49           HA       THR  49  -9.401  -2.125  13.012
  319    HB   THR  49           HB       THR  49 -11.259  -2.967  11.528
  320    HG1  THR  49           HG1      THR  49 -11.659  -0.292  10.730
  321   HG21  THR  49          HG21      THR  49 -12.988  -1.613  12.591
  322   HG22  THR  49          HG22      THR  49 -11.796  -0.377  12.987
  323   HG23  THR  49          HG23      THR  49 -11.694  -1.970  13.734
  324    H    GLY  50           HN       GLY  50  -7.251  -1.142  11.258
  325    HA2  GLY  50           HA2      GLY  50  -5.692  -2.800  10.319
  326    HA3  GLY  50           HA1      GLY  50  -7.061  -3.451   9.426
  327    H    LEU  51           HN       LEU  51  -4.360  -1.684   9.073
  328    HA   LEU  51           HA       LEU  51  -5.190   0.472   7.437
  329    HB2  LEU  51           HB2      LEU  51  -2.901  -0.017   8.587
  330    HB3  LEU  51           HB1      LEU  51  -2.548  -0.933   7.140
  331    HG   LEU  51           HG       LEU  51  -1.600   1.363   7.138
  332   HD11  LEU  51          HD11      LEU  51  -2.307   1.963   4.876
  333   HD12  LEU  51          HD12      LEU  51  -3.650   0.826   5.001
  334   HD13  LEU  51          HD13      LEU  51  -1.988   0.234   5.032
  335   HD21  LEU  51          HD21      LEU  51  -3.419   2.464   8.357
  336   HD22  LEU  51          HD22      LEU  51  -4.474   2.249   6.959
  337   HD23  LEU  51          HD23      LEU  51  -3.047   3.277   6.837
  338    H    ARG  52           HN       ARG  52  -5.931   0.458   5.405
  339    HA   ARG  52           HA       ARG  52  -5.581  -1.997   3.812
  340    HB2  ARG  52           HB2      ARG  52  -8.066  -0.286   3.991
  341    HB3  ARG  52           HB1      ARG  52  -7.871  -1.720   2.996
  342    HG2  ARG  52           HG2      ARG  52  -7.785  -3.130   4.907
  343    HG3  ARG  52           HG1      ARG  52  -7.683  -1.745   5.996
  344    HD2  ARG  52           HD2      ARG  52  -9.926  -1.033   5.205
  345    HD3  ARG  52           HD1      ARG  52 -10.023  -2.516   4.258
  346    HE   ARG  52           HE       ARG  52  -9.944  -3.743   6.370
  347   HH11  ARG  52          HH11      ARG  52 -10.785  -0.345   6.481
  348   HH12  ARG  52          HH12      ARG  52 -11.611  -0.476   7.999
  349   HH21  ARG  52          HH21      ARG  52 -11.033  -3.907   8.366
  350   HH22  ARG  52          HH22      ARG  52 -11.715  -2.482   9.090
  351    H    CYS  53           HN       CYS  53  -4.864  -1.680   1.790
  352    HA   CYS  53           HA       CYS  53  -4.533   0.942   0.689
  353    HB2  CYS  53           HB2      CYS  53  -3.574  -0.156  -1.212
  354    HB3  CYS  53           HB1      CYS  53  -3.027  -1.032   0.213
  355    H    ARG  54           HN       ARG  54  -5.406   1.084  -1.828
  356    HA   ARG  54           HA       ARG  54  -8.144   1.580  -1.452
  357    HB2  ARG  54           HB2      ARG  54  -8.266   2.116  -3.822
  358    HB3  ARG  54           HB1      ARG  54  -6.835   2.819  -3.091
  359    HG2  ARG  54           HG2      ARG  54  -5.432   1.149  -4.092
  360    HG3  ARG  54           HG1      ARG  54  -6.841   0.280  -4.704
  361    HD2  ARG  54           HD2      ARG  54  -7.420   2.221  -6.090
  362    HD3  ARG  54           HD1      ARG  54  -6.001   3.073  -5.485
  363    HE   ARG  54           HE       ARG  54  -5.314   0.562  -6.649
  364   HH11  ARG  54          HH11      ARG  54  -6.172   3.861  -7.440
  365   HH12  ARG  54          HH12      ARG  54  -5.340   3.847  -8.962
  366   HH21  ARG  54          HH21      ARG  54  -4.216   0.533  -8.637
  367   HH22  ARG  54          HH22      ARG  54  -4.222   1.950  -9.644
  368    H    SER  55           HN       SER  55  -6.496  -1.127  -3.000
  369    HA   SER  55           HA       SER  55  -8.789  -2.318  -4.115
  370    HB2  SER  55           HB2      SER  55  -6.255  -3.708  -3.228
  371    HB3  SER  55           HB1      SER  55  -7.383  -4.247  -4.469
  372    HG   SER  55           HG       SER  55  -6.838  -2.215  -5.576
  373    H    CYS  56           HN       CYS  56  -7.099  -2.890  -1.037
  374    HA   CYS  56           HA       CYS  56  -8.895  -4.933  -0.189
  375    HB2  CYS  56           HB2      CYS  56  -6.929  -3.272   1.396
  376    HB3  CYS  56           HB1      CYS  56  -7.810  -4.654   2.033
  377    H    SER  57           HN       SER  57  -9.079  -1.509  -0.192
  378    HA   SER  57           HA       SER  57 -11.043  -1.421   1.951
  379    HB2  SER  57           HB2      SER  57 -10.100   0.779   0.094
  380    HB3  SER  57           HB1      SER  57 -11.094   0.994   1.533
  381    HG   SER  57           HG       SER  57  -8.373   0.330   1.316
  382    H    GLY  58           HN       GLY  58 -10.984  -2.014  -1.367
  383    HA2  GLY  58           HA2      GLY  58 -13.738  -1.055  -1.734
  384    HA3  GLY  58           HA1      GLY  58 -12.596  -1.378  -3.028
  385    H    ASP  59           HN       ASP  59 -14.996  -2.667  -0.955
  386    HA   ASP  59           HA       ASP  59 -14.621  -5.398  -1.896
  387    HB2  ASP  59           HB2      ASP  59 -16.644  -5.867  -0.491
  388    HB3  ASP  59           HB1      ASP  59 -15.311  -5.154   0.411
  389    H    VAL  60           HN       VAL  60 -14.980  -3.714  -3.981
  390    HA   VAL  60           HA       VAL  60 -17.677  -4.300  -4.938
  391    HB   VAL  60           HB       VAL  60 -17.816  -2.048  -4.011
  392   HG11  VAL  60          HG11      VAL  60 -15.467  -1.442  -4.108
  393   HG12  VAL  60          HG12      VAL  60 -16.456  -0.216  -4.897
  394   HG13  VAL  60          HG13      VAL  60 -15.543  -1.370  -5.869
  395   HG21  VAL  60          HG21      VAL  60 -17.756  -2.020  -7.027
  396   HG22  VAL  60          HG22      VAL  60 -18.556  -0.825  -6.006
  397   HG23  VAL  60          HG23      VAL  60 -19.118  -2.497  -6.013
  398    H    THR  61           HN       THR  61 -17.827  -4.549  -7.150
  399    HA   THR  61           HA       THR  61 -15.495  -5.186  -8.606
  400    HB   THR  61           HB       THR  61 -17.688  -6.190  -9.111
  401    HG1  THR  61           HG1      THR  61 -16.501  -6.423 -10.874
  402   HG21  THR  61          HG21      THR  61 -19.127  -4.255  -8.763
  403   HG22  THR  61          HG22      THR  61 -19.375  -4.924 -10.376
  404   HG23  THR  61          HG23      THR  61 -18.419  -3.456 -10.168
  405    HA   PRO  62           HA       PRO  62 -14.063  -1.173  -9.705
  406    HB2  PRO  62           HB2      PRO  62 -12.746  -1.826 -12.032
  407    HB3  PRO  62           HB1      PRO  62 -12.091  -2.072 -10.410
  408    HG2  PRO  62           HG2      PRO  62 -13.432  -4.029 -12.228
  409    HG3  PRO  62           HG1      PRO  62 -12.014  -4.254 -11.185
  410    HD2  PRO  62           HD2      PRO  62 -14.442  -5.160 -10.479
  411    HD3  PRO  62           HD1      PRO  62 -13.302  -4.518  -9.279
  412    H    ALA  63           HN       ALA  63 -14.929   0.498 -10.723
  413    HA   ALA  63           HA       ALA  63 -16.936  -0.010 -12.776
  414    HB1  ALA  63           HB1      ALA  63 -17.550   1.327 -10.805
  415    HB2  ALA  63           HB2      ALA  63 -17.716   2.239 -12.303
  416    HB3  ALA  63           HB3      ALA  63 -16.331   2.520 -11.250
  417    HA   PRO  64           HA       PRO  64 -14.168   1.574 -15.950
  418    HB2  PRO  64           HB2      PRO  64 -16.608   1.743 -17.577
  419    HB3  PRO  64           HB1      PRO  64 -15.148   0.791 -17.851
  420    HG2  PRO  64           HG2      PRO  64 -17.479  -0.349 -17.145
  421    HG3  PRO  64           HG1      PRO  64 -15.916  -0.991 -16.606
  422    HD2  PRO  64           HD2      PRO  64 -17.892   0.689 -15.111
  423    HD3  PRO  64           HD1      PRO  64 -16.937  -0.700 -14.548
  424    H    VAL  65           HN       VAL  65 -13.790   3.593 -14.986
  425    HA   VAL  65           HA       VAL  65 -15.801   5.681 -15.262
  426    HB   VAL  65           HB       VAL  65 -13.050   5.826 -14.013
  427   HG11  VAL  65          HG11      VAL  65 -13.871   7.886 -12.967
  428   HG12  VAL  65          HG12      VAL  65 -15.377   7.739 -13.871
  429   HG13  VAL  65          HG13      VAL  65 -13.858   8.006 -14.727
  430   HG21  VAL  65          HG21      VAL  65 -14.479   4.256 -12.818
  431   HG22  VAL  65          HG22      VAL  65 -15.748   5.474 -12.711
  432   HG23  VAL  65          HG23      VAL  65 -14.222   5.716 -11.864
  433    H    GLU  66           HN       GLU  66 -15.835   7.045 -16.916
  434    HA   GLU  66           HA       GLU  66 -13.341   7.852 -18.182
  435    HB2  GLU  66           HB2      GLU  66 -14.239   5.936 -19.518
  436    HB3  GLU  66           HB1      GLU  66 -15.696   6.872 -19.808
  437    HG2  GLU  66           HG2      GLU  66 -14.171   6.965 -21.707
  438    HG3  GLU  66           HG1      GLU  66 -14.409   8.557 -20.988
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  14.679 -34.657 -12.278
    2    H2   GLY   1           HT2      GLY   1  13.174 -35.148 -12.868
    3    H3   GLY   1           HT3      GLY   1  13.346 -34.713 -11.245
    4    HA2  GLY   1           HA1      GLY   1  13.686 -32.887 -13.550
    5    HA3  GLY   1           HA2      GLY   1  12.264 -32.961 -12.519
    6    H    ALA   2           HN       ALA   2  13.409 -30.577 -12.715
    7    HA   ALA   2           HA       ALA   2  15.052 -30.287 -10.292
    8    HB1  ALA   2           HB1      ALA   2  15.758 -28.128 -11.195
    9    HB2  ALA   2           HB2      ALA   2  14.732 -28.381 -12.606
   10    HB3  ALA   2           HB3      ALA   2  16.114 -29.438 -12.320
   11    H    MET   3           HN       MET   3  14.265 -29.184  -8.593
   12    HA   MET   3           HA       MET   3  11.746 -27.699  -8.975
   13    HB2  MET   3           HB2      MET   3  11.009 -28.459  -6.768
   14    HB3  MET   3           HB1      MET   3  11.305 -29.824  -7.836
   15    HG2  MET   3           HG2      MET   3  13.474 -30.189  -6.766
   16    HG3  MET   3           HG1      MET   3  13.167 -28.829  -5.688
   17    HE1  MET   3           HE1      MET   3  12.135 -32.460  -6.716
   18    HE2  MET   3           HE2      MET   3  10.626 -31.579  -6.954
   19    HE3  MET   3           HE3      MET   3  10.758 -32.766  -5.657
   20    H    GLU   4           HN       GLU   4  14.802 -27.147  -8.587
   21    HA   GLU   4           HA       GLU   4  14.739 -25.507  -6.189
   22    HB2  GLU   4           HB2      GLU   4  16.979 -25.996  -8.162
   23    HB3  GLU   4           HB1      GLU   4  17.126 -25.135  -6.636
   24    HG2  GLU   4           HG2      GLU   4  16.465 -28.045  -7.007
   25    HG3  GLU   4           HG1      GLU   4  17.973 -27.367  -6.392
   26    H    GLY   5           HN       GLY   5  13.030 -24.154  -7.210
   27    HA2  GLY   5           HA2      GLY   5  13.523 -22.486  -9.422
   28    HA3  GLY   5           HA1      GLY   5  12.378 -22.153  -8.130
   29    H    GLN   6           HN       GLN   6  14.003 -21.952  -5.957
   30    HA   GLN   6           HA       GLN   6  15.329 -20.527  -4.790
   31    HB2  GLN   6           HB2      GLN   6  16.912 -20.498  -7.363
   32    HB3  GLN   6           HB1      GLN   6  17.495 -19.908  -5.814
   33    HG2  GLN   6           HG2      GLN   6  17.460 -22.099  -4.882
   34    HG3  GLN   6           HG1      GLN   6  16.616 -22.744  -6.289
   35   HE21  GLN   6          HE21      GLN   6  17.744 -23.079  -8.191
   36   HE22  GLN   6          HE22      GLN   6  19.474 -23.115  -8.243
   37    H    GLN   7           HN       GLN   7  13.131 -19.314  -5.633
   38    HA   GLN   7           HA       GLN   7  13.959 -16.767  -6.834
   39    HB2  GLN   7           HB2      GLN   7  11.209 -17.973  -6.490
   40    HB3  GLN   7           HB1      GLN   7  11.542 -16.414  -7.237
   41    HG2  GLN   7           HG2      GLN   7  12.715 -17.444  -9.036
   42    HG3  GLN   7           HG1      GLN   7  12.661 -19.016  -8.243
   43   HE21  GLN   7          HE21      GLN   7  10.749 -20.173  -8.221
   44   HE22  GLN   7          HE22      GLN   7   9.438 -19.804  -9.284
   45    H    ASN   8           HN       ASN   8  14.838 -15.816  -5.029
   46    HA   ASN   8           HA       ASN   8  13.398 -15.712  -2.535
   47    HB2  ASN   8           HB2      ASN   8  15.863 -15.858  -2.588
   48    HB3  ASN   8           HB1      ASN   8  15.931 -14.288  -3.382
   49   HD21  ASN   8          HD21      ASN   8  17.056 -13.271  -1.780
   50   HD22  ASN   8          HD22      ASN   8  16.397 -12.945  -0.214
   51    H    LEU   9           HN       LEU   9  11.502 -14.594  -2.974
   52    HA   LEU   9           HA       LEU   9  11.591 -11.987  -4.202
   53    HB2  LEU   9           HB2      LEU   9   9.682 -13.472  -4.564
   54    HB3  LEU   9           HB1      LEU   9   9.340 -13.472  -2.844
   55    HG   LEU   9           HG       LEU   9   8.856 -11.052  -2.958
   56   HD11  LEU   9          HD11      LEU   9   9.219 -11.428  -5.924
   57   HD12  LEU   9          HD12      LEU   9  10.241 -10.461  -4.862
   58   HD13  LEU   9          HD13      LEU   9   8.566  -9.988  -5.144
   59   HD21  LEU   9          HD21      LEU   9   6.728 -11.257  -4.160
   60   HD22  LEU   9          HD22      LEU   9   7.041 -12.649  -3.124
   61   HD23  LEU   9          HD23      LEU   9   7.284 -12.775  -4.865
   62    H    ALA  10           HN       ALA  10  12.546 -10.442  -3.024
   63    HA   ALA  10           HA       ALA  10  12.082 -10.280  -0.154
   64    HB1  ALA  10           HB1      ALA  10  14.362  -9.976  -1.014
   65    HB2  ALA  10           HB2      ALA  10  13.782  -8.543  -0.164
   66    HB3  ALA  10           HB3      ALA  10  13.821  -8.569  -1.927
   67    HA   PRO  11           HA       PRO  11   8.684  -7.430  -0.690
   68    HB2  PRO  11           HB2      PRO  11   9.395  -6.611   2.065
   69    HB3  PRO  11           HB1      PRO  11   7.860  -7.209   1.431
   70    HG2  PRO  11           HG2      PRO  11   9.411  -8.736   2.982
   71    HG3  PRO  11           HG1      PRO  11   8.487  -9.425   1.636
   72    HD2  PRO  11           HD2      PRO  11  11.403  -8.789   1.807
   73    HD3  PRO  11           HD1      PRO  11  10.586 -10.162   1.031
   74    H    GLY  12           HN       GLY  12   9.237  -5.786  -2.016
   75    HA2  GLY  12           HA2      GLY  12  11.364  -3.959  -1.465
   76    HA3  GLY  12           HA1      GLY  12  10.150  -3.793  -2.725
   77    H    ALA  13           HN       ALA  13  11.097  -2.917   0.465
   78    HA   ALA  13           HA       ALA  13   8.604  -1.695   1.195
   79    HB1  ALA  13           HB1      ALA  13  11.331  -1.414   2.457
   80    HB2  ALA  13           HB2      ALA  13  10.114  -2.614   2.891
   81    HB3  ALA  13           HB3      ALA  13   9.798  -0.901   3.163
   82    H    ARG  14           HN       ARG  14   8.466  -0.451  -0.826
   83    HA   ARG  14           HA       ARG  14   9.478   2.235  -0.357
   84    HB2  ARG  14           HB2      ARG  14  11.138   1.253  -1.880
   85    HB3  ARG  14           HB1      ARG  14   9.857   0.794  -2.993
   86    HG2  ARG  14           HG2      ARG  14   9.300   3.193  -3.272
   87    HG3  ARG  14           HG1      ARG  14  10.684   3.594  -2.254
   88    HD2  ARG  14           HD2      ARG  14  10.769   2.113  -4.881
   89    HD3  ARG  14           HD1      ARG  14  11.251   3.788  -4.615
   90    HE   ARG  14           HE       ARG  14  12.690   2.064  -2.895
   91   HH11  ARG  14          HH11      ARG  14  12.508   3.063  -6.243
   92   HH12  ARG  14          HH12      ARG  14  14.174   2.716  -6.570
   93   HH21  ARG  14          HH21      ARG  14  14.882   1.599  -3.325
   94   HH22  ARG  14          HH22      ARG  14  15.521   1.871  -4.916
   95    H    CYS  15           HN       CYS  15   7.917   3.670  -0.670
   96    HA   CYS  15           HA       CYS  15   5.410   2.868  -1.860
   97    HB2  CYS  15           HB2      CYS  15   5.322   4.263   0.094
   98    HB3  CYS  15           HB1      CYS  15   6.448   5.412  -0.602
   99    H    GLY  16           HN       GLY  16   5.460   2.676  -4.017
  100    HA2  GLY  16           HA2      GLY  16   7.353   4.085  -5.628
  101    HA3  GLY  16           HA1      GLY  16   6.104   2.993  -6.204
  102    H    VAL  17           HN       VAL  17   4.272   4.877  -4.514
  103    HA   VAL  17           HA       VAL  17   3.261   6.304  -6.726
  104    HB   VAL  17           HB       VAL  17   2.677   6.807  -3.807
  105   HG11  VAL  17          HG11      VAL  17   1.852   8.557  -5.288
  106   HG12  VAL  17          HG12      VAL  17   0.515   7.619  -4.622
  107   HG13  VAL  17          HG13      VAL  17   1.041   7.348  -6.282
  108   HG21  VAL  17          HG21      VAL  17   0.803   5.239  -4.096
  109   HG22  VAL  17          HG22      VAL  17   2.369   4.457  -4.306
  110   HG23  VAL  17          HG23      VAL  17   1.388   4.860  -5.716
  111    H    CYS  18           HN       CYS  18   5.528   7.117  -4.205
  112    HA   CYS  18           HA       CYS  18   5.791   9.789  -5.410
  113    HB2  CYS  18           HB2      CYS  18   6.695  10.558  -3.243
  114    HB3  CYS  18           HB1      CYS  18   5.042   9.970  -3.101
  115    H    GLY  19           HN       GLY  19   7.508   7.045  -3.977
  116    HA2  GLY  19           HA2      GLY  19   9.429   6.285  -5.388
  117    HA3  GLY  19           HA1      GLY  19   9.947   7.964  -5.369
  118    H    ASP  20           HN       ASP  20   8.767   7.733  -2.421
  119    HA   ASP  20           HA       ASP  20  11.394   7.042  -1.319
  120    HB2  ASP  20           HB2      ASP  20   9.148   8.759  -0.298
  121    HB3  ASP  20           HB1      ASP  20  10.428   8.193   0.771
  122    H    GLY  21           HN       GLY  21  11.665   5.697   0.419
  123    HA2  GLY  21           HA2      GLY  21   9.367   3.948   1.041
  124    HA3  GLY  21           HA1      GLY  21  11.046   3.419   1.041
  125    H    THR  22           HN       THR  22  10.532   6.531   2.286
  126    HA   THR  22           HA       THR  22  11.398   5.777   4.896
  127    HB   THR  22           HB       THR  22  10.254   8.440   4.032
  128    HG1  THR  22           HG1      THR  22  12.842   7.310   3.721
  129   HG21  THR  22          HG21      THR  22  10.515   8.171   6.451
  130   HG22  THR  22          HG22      THR  22  11.682   9.333   5.817
  131   HG23  THR  22          HG23      THR  22  12.198   7.695   6.223
  132    H    ASP  23           HN       ASP  23  10.126   4.875   6.351
  133    HA   ASP  23           HA       ASP  23   8.339   4.284   7.608
  134    HB2  ASP  23           HB2      ASP  23   8.659   6.631   8.362
  135    HB3  ASP  23           HB1      ASP  23   7.480   7.148   7.164
  136    H    VAL  24           HN       VAL  24   7.834   3.025   5.577
  137    HA   VAL  24           HA       VAL  24   5.450   3.926   4.183
  138    HB   VAL  24           HB       VAL  24   5.705   1.708   2.952
  139   HG11  VAL  24          HG11      VAL  24   6.389   3.842   1.995
  140   HG12  VAL  24          HG12      VAL  24   7.510   2.562   1.538
  141   HG13  VAL  24          HG13      VAL  24   7.953   3.713   2.798
  142   HG21  VAL  24          HG21      VAL  24   7.085   0.541   4.580
  143   HG22  VAL  24          HG22      VAL  24   8.362   1.740   4.384
  144   HG23  VAL  24          HG23      VAL  24   7.939   0.678   3.043
  145    H    LEU  25           HN       LEU  25   3.461   3.131   4.440
  146    HA   LEU  25           HA       LEU  25   2.956   1.464   6.752
  147    HB2  LEU  25           HB2      LEU  25   1.134   2.860   4.789
  148    HB3  LEU  25           HB1      LEU  25   0.552   1.879   6.121
  149    HG   LEU  25           HG       LEU  25   2.277   4.327   6.482
  150   HD11  LEU  25          HD11      LEU  25  -0.718   4.041   6.687
  151   HD12  LEU  25          HD12      LEU  25   0.162   4.970   5.473
  152   HD13  LEU  25          HD13      LEU  25   0.211   5.460   7.167
  153   HD21  LEU  25          HD21      LEU  25   0.630   2.692   8.411
  154   HD22  LEU  25          HD22      LEU  25   1.495   4.178   8.804
  155   HD23  LEU  25          HD23      LEU  25   2.391   2.739   8.321
  156    H    ARG  26           HN       ARG  26   2.045  -0.551   6.709
  157    HA   ARG  26           HA       ARG  26   2.127  -1.930   4.120
  158    HB2  ARG  26           HB2      ARG  26   2.542  -2.818   6.945
  159    HB3  ARG  26           HB1      ARG  26   1.939  -3.981   5.776
  160    HG2  ARG  26           HG2      ARG  26   4.303  -4.214   5.923
  161    HG3  ARG  26           HG1      ARG  26   3.914  -3.505   4.357
  162    HD2  ARG  26           HD2      ARG  26   4.523  -1.303   5.174
  163    HD3  ARG  26           HD1      ARG  26   4.834  -1.965   6.779
  164    HE   ARG  26           HE       ARG  26   6.364  -3.160   4.637
  165   HH11  ARG  26          HH11      ARG  26   6.265  -0.662   7.091
  166   HH12  ARG  26          HH12      ARG  26   7.989  -0.514   7.184
  167   HH21  ARG  26          HH21      ARG  26   8.628  -2.983   4.775
  168   HH22  ARG  26          HH22      ARG  26   9.337  -1.840   5.873
  169    H    CYS  27           HN       CYS  27   0.401  -3.158   3.424
  170    HA   CYS  27           HA       CYS  27  -2.183  -2.402   4.360
  171    HB2  CYS  27           HB2      CYS  27  -1.630  -3.006   1.974
  172    HB3  CYS  27           HB1      CYS  27  -1.498  -4.691   2.485
  173    H    THR  28           HN       THR  28  -3.622  -3.552   5.580
  174    HA   THR  28           HA       THR  28  -2.500  -5.552   7.324
  175    HB   THR  28           HB       THR  28  -4.844  -5.493   8.332
  176    HG1  THR  28           HG1      THR  28  -5.164  -3.091   6.875
  177   HG21  THR  28          HG21      THR  28  -2.967  -4.263   9.285
  178   HG22  THR  28          HG22      THR  28  -4.451  -3.318   9.402
  179   HG23  THR  28          HG23      THR  28  -3.253  -2.932   8.165
  180    H    HIS  29           HN       HIS  29  -4.546  -5.493   4.533
  181    HA   HIS  29           HA       HIS  29  -5.456  -8.225   5.016
  182    HB2  HIS  29           HB2      HIS  29  -6.281  -6.083   3.091
  183    HB3  HIS  29           HB1      HIS  29  -6.702  -7.764   2.776
  184    HD1  HIS  29           HD1      HIS  29  -8.766  -8.605   3.878
  185    HD2  HIS  29           HD2      HIS  29  -7.335  -5.138   5.670
  186    HE1  HIS  29           HE1      HIS  29 -10.496  -7.959   5.581
  187    HE2  HIS  29           HE2      HIS  29  -9.685  -5.779   6.536
  188    H    CYS  30           HN       CYS  30  -3.216  -6.460   3.034
  189    HA   CYS  30           HA       CYS  30  -2.243  -8.997   2.003
  190    HB2  CYS  30           HB2      CYS  30  -2.326  -8.447  -0.273
  191    HB3  CYS  30           HB1      CYS  30  -3.884  -7.902   0.330
  192    H    ALA  31           HN       ALA  31  -0.228  -8.134   0.400
  193    HA   ALA  31           HA       ALA  31   1.447  -6.742   2.355
  194    HB1  ALA  31           HB1      ALA  31   2.150  -9.007   1.742
  195    HB2  ALA  31           HB2      ALA  31   3.344  -7.804   1.259
  196    HB3  ALA  31           HB3      ALA  31   2.266  -8.511   0.055
  197    H    ALA  32           HN       ALA  32   1.846  -4.686   1.963
  198    HA   ALA  32           HA       ALA  32   2.701  -3.764  -0.615
  199    HB1  ALA  32           HB1      ALA  32   0.952  -2.073  -0.911
  200    HB2  ALA  32           HB2      ALA  32   0.099  -2.707   0.496
  201    HB3  ALA  32           HB3      ALA  32   0.276  -3.702  -0.948
  202    H    ALA  33           HN       ALA  33   3.994  -2.005  -0.395
  203    HA   ALA  33           HA       ALA  33   4.041  -0.684   2.241
  204    HB1  ALA  33           HB1      ALA  33   6.407  -0.175   1.790
  205    HB2  ALA  33           HB2      ALA  33   6.297  -1.064   0.271
  206    HB3  ALA  33           HB3      ALA  33   6.097  -1.911   1.805
  207    H    PHE  34           HN       PHE  34   3.136   1.272   2.147
  208    HA   PHE  34           HA       PHE  34   3.763   3.092  -0.014
  209    HB2  PHE  34           HB2      PHE  34   1.444   3.415  -0.725
  210    HB3  PHE  34           HB1      PHE  34   1.934   1.743  -0.980
  211    HD1  PHE  34           HD2      PHE  34   1.154  -0.014   0.622
  212    HD2  PHE  34           HD1      PHE  34  -0.371   3.960   0.680
  213    HE1  PHE  34           HE2      PHE  34  -0.797  -0.786   1.905
  214    HE2  PHE  34           HE1      PHE  34  -2.324   3.194   1.966
  215    HZ   PHE  34           HZ       PHE  34  -2.519   0.835   2.618
  216    H    HIS  35           HN       HIS  35   2.770   5.235   0.341
  217    HA   HIS  35           HA       HIS  35   2.254   5.754   3.179
  218    HB2  HIS  35           HB2      HIS  35   2.635   7.704   0.890
  219    HB3  HIS  35           HB1      HIS  35   2.457   8.136   2.585
  220    HD2  HIS  35           HD2      HIS  35   4.668   6.131   3.879
  221    HE1  HIS  35           HE1      HIS  35   7.277   8.025   1.134
  222    HE2  HIS  35           HE2      HIS  35   7.115   6.843   3.380
  223    H    TRP  36           HN       TRP  36   0.299   6.349   3.910
  224    HA   TRP  36           HA       TRP  36  -2.016   5.782   2.443
  225    HB2  TRP  36           HB2      TRP  36  -1.940   5.736   4.898
  226    HB3  TRP  36           HB1      TRP  36  -1.709   7.480   4.934
  227    HD1  TRP  36           HD1      TRP  36  -3.844   9.010   4.539
  228    HE1  TRP  36           HE1      TRP  36  -6.369   8.516   4.554
  229    HE3  TRP  36           HE3      TRP  36  -3.671   3.909   4.290
  230    HZ2  TRP  36           HZ2      TRP  36  -8.062   6.255   4.472
  231    HZ3  TRP  36           HZ3      TRP  36  -5.788   2.657   4.264
  232    HH2  TRP  36           HH2      TRP  36  -7.937   3.807   4.354
  233    H    ARG  37           HN       ARG  37  -0.336   8.826   3.060
  234    HA   ARG  37           HA       ARG  37  -2.383  10.446   1.889
  235    HB2  ARG  37           HB2      ARG  37   0.485  11.071   2.600
  236    HB3  ARG  37           HB1      ARG  37  -0.669  12.264   2.019
  237    HG2  ARG  37           HG2      ARG  37  -2.112  11.766   3.959
  238    HG3  ARG  37           HG1      ARG  37  -0.882  10.652   4.553
  239    HD2  ARG  37           HD2      ARG  37   0.723  12.498   4.687
  240    HD3  ARG  37           HD1      ARG  37  -0.513  13.610   4.094
  241    HE   ARG  37           HE       ARG  37  -1.566  12.345   6.328
  242   HH11  ARG  37          HH11      ARG  37   1.075  14.522   5.591
  243   HH12  ARG  37          HH12      ARG  37   1.094  15.236   7.172
  244   HH21  ARG  37          HH21      ARG  37  -1.545  13.282   8.407
  245   HH22  ARG  37          HH22      ARG  37  -0.408  14.544   8.768
  246    H    CYS  38           HN       CYS  38   0.155   8.572   0.585
  247    HA   CYS  38           HA       CYS  38   0.251  10.030  -1.913
  248    HB2  CYS  38           HB2      CYS  38   1.477   7.421  -1.012
  249    HB3  CYS  38           HB1      CYS  38   1.601   8.004  -2.669
  250    H    HIS  39           HN       HIS  39  -1.606   7.556  -0.464
  251    HA   HIS  39           HA       HIS  39  -2.634   6.612  -3.037
  252    HB2  HIS  39           HB2      HIS  39  -2.510   5.517  -0.295
  253    HB3  HIS  39           HB1      HIS  39  -3.964   5.129  -1.206
  254    HD1  HIS  39           HD1      HIS  39  -3.746   2.935  -2.252
  255    HD2  HIS  39           HD2      HIS  39  -0.124   4.965  -2.214
  256    HE1  HIS  39           HE1      HIS  39  -2.086   1.376  -3.329
  257    HE2  HIS  39           HE2      HIS  39   0.033   2.722  -3.504
  258    H    PHE  40           HN       PHE  40  -3.867   7.737   0.097
  259    HA   PHE  40           HA       PHE  40  -6.443   8.309  -1.190
  260    HB2  PHE  40           HB2      PHE  40  -5.800   7.878   1.736
  261    HB3  PHE  40           HB1      PHE  40  -7.403   8.149   1.063
  262    HD1  PHE  40           HD1      PHE  40  -4.623   5.766   1.322
  263    HD2  PHE  40           HD2      PHE  40  -8.611   6.394  -0.017
  264    HE1  PHE  40           HE1      PHE  40  -4.895   3.341   1.004
  265    HE2  PHE  40           HE2      PHE  40  -8.891   3.971  -0.338
  266    HZ   PHE  40           HZ       PHE  40  -7.031   2.441   0.175
  267    HA   PRO  41           HA       PRO  41  -5.488  12.604  -0.674
  268    HB2  PRO  41           HB2      PRO  41  -8.335  13.186  -0.918
  269    HB3  PRO  41           HB1      PRO  41  -7.024  13.554  -2.038
  270    HG2  PRO  41           HG2      PRO  41  -8.931  11.702  -2.566
  271    HG3  PRO  41           HG1      PRO  41  -7.274  11.585  -3.185
  272    HD2  PRO  41           HD2      PRO  41  -8.542  10.166  -0.875
  273    HD3  PRO  41           HD1      PRO  41  -7.408   9.552  -2.097
  274    H    ALA  42           HN       ALA  42  -6.436  14.570   0.528
  275    HA   ALA  42           HA       ALA  42  -6.349  14.084   3.267
  276    HB1  ALA  42           HB1      ALA  42  -7.501  16.491   1.864
  277    HB2  ALA  42           HB2      ALA  42  -5.799  16.239   2.248
  278    HB3  ALA  42           HB3      ALA  42  -6.978  16.419   3.547
  279    H    GLY  43           HN       GLY  43  -9.085  14.230   1.098
  280    HA2  GLY  43           HA2      GLY  43 -11.146  14.519   2.990
  281    HA3  GLY  43           HA1      GLY  43 -11.316  13.806   1.395
  282    H    THR  44           HN       THR  44  -9.205  11.774   2.170
  283    HA   THR  44           HA       THR  44 -11.033   9.973   3.586
  284    HB   THR  44           HB       THR  44  -8.471   9.250   2.159
  285    HG1  THR  44           HG1      THR  44 -11.054   9.777   1.192
  286   HG21  THR  44          HG21      THR  44 -10.901   7.596   2.857
  287   HG22  THR  44          HG22      THR  44  -9.387   7.596   3.760
  288   HG23  THR  44          HG23      THR  44  -9.420   7.016   2.095
  289    H    SER  45           HN       SER  45 -10.591   9.279   5.607
  290    HA   SER  45           HA       SER  45  -8.339  10.526   6.952
  291    HB2  SER  45           HB2      SER  45  -9.499   9.742   9.014
  292    HB3  SER  45           HB1      SER  45 -10.526  10.740   7.986
  293    HG   SER  45           HG       SER  45 -10.601   8.009   7.502
  294    H    ARG  46           HN       ARG  46  -6.634   9.477   7.822
  295    HA   ARG  46           HA       ARG  46  -6.152   6.737   7.135
  296    HB2  ARG  46           HB2      ARG  46  -4.266   8.207   7.167
  297    HB3  ARG  46           HB1      ARG  46  -4.635   8.750   8.797
  298    HG2  ARG  46           HG2      ARG  46  -4.119   6.495   9.640
  299    HG3  ARG  46           HG1      ARG  46  -3.685   6.005   8.001
  300    HD2  ARG  46           HD2      ARG  46  -1.860   7.532   7.944
  301    HD3  ARG  46           HD1      ARG  46  -2.381   8.306   9.441
  302    HE   ARG  46           HE       ARG  46  -1.966   5.736  10.186
  303   HH11  ARG  46          HH11      ARG  46   0.017   8.054   8.465
  304   HH12  ARG  46          HH12      ARG  46   1.510   7.425   9.087
  305   HH21  ARG  46          HH21      ARG  46  -0.013   4.919  11.016
  306   HH22  ARG  46          HH22      ARG  46   1.491   5.649  10.548
  307    HA   PRO  47           HA       PRO  47  -8.164   5.246  10.877
  308    HB2  PRO  47           HB2      PRO  47  -7.913   2.609  10.299
  309    HB3  PRO  47           HB1      PRO  47  -9.159   3.630   9.572
  310    HG2  PRO  47           HG2      PRO  47  -6.558   2.708   8.430
  311    HG3  PRO  47           HG1      PRO  47  -8.140   2.854   7.644
  312    HD2  PRO  47           HD2      PRO  47  -6.137   4.688   7.362
  313    HD3  PRO  47           HD1      PRO  47  -7.861   5.092   7.226
  314    H    GLY  48           HN       GLY  48  -7.245   4.907  12.801
  315    HA2  GLY  48           HA2      GLY  48  -4.456   4.664  13.135
  316    HA3  GLY  48           HA1      GLY  48  -5.659   4.458  14.401
  317    H    THR  49           HN       THR  49  -7.026   2.313  13.014
  318    HA   THR  49           HA       THR  49  -4.995   0.192  13.001
  319    HB   THR  49           HB       THR  49  -6.745  -1.304  14.075
  320    HG1  THR  49           HG1      THR  49  -8.190   0.938  13.865
  321   HG21  THR  49          HG21      THR  49  -4.812  -0.479  15.327
  322   HG22  THR  49          HG22      THR  49  -6.241  -0.558  16.355
  323   HG23  THR  49          HG23      THR  49  -5.691   0.996  15.727
  324    H    GLY  50           HN       GLY  50  -5.300  -1.388  11.455
  325    HA2  GLY  50           HA2      GLY  50  -6.429  -2.599   9.807
  326    HA3  GLY  50           HA1      GLY  50  -7.824  -1.556  10.030
  327    H    LEU  51           HN       LEU  51  -4.431  -0.989   9.131
  328    HA   LEU  51           HA       LEU  51  -5.111   1.038   7.254
  329    HB2  LEU  51           HB2      LEU  51  -2.879   0.459   8.599
  330    HB3  LEU  51           HB1      LEU  51  -2.500  -0.395   7.119
  331    HG   LEU  51           HG       LEU  51  -1.509   1.848   7.172
  332   HD11  LEU  51          HD11      LEU  51  -2.117   0.843   5.018
  333   HD12  LEU  51          HD12      LEU  51  -2.224   2.603   4.995
  334   HD13  LEU  51          HD13      LEU  51  -3.692   1.632   5.112
  335   HD21  LEU  51          HD21      LEU  51  -3.236   2.926   8.549
  336   HD22  LEU  51          HD22      LEU  51  -4.346   2.863   7.181
  337   HD23  LEU  51          HD23      LEU  51  -2.880   3.835   7.083
  338    H    ARG  52           HN       ARG  52  -5.765   0.800   5.210
  339    HA   ARG  52           HA       ARG  52  -5.428  -1.836   3.935
  340    HB2  ARG  52           HB2      ARG  52  -7.708   0.134   3.701
  341    HB3  ARG  52           HB1      ARG  52  -7.537  -1.301   2.701
  342    HG2  ARG  52           HG2      ARG  52  -7.788  -2.733   4.598
  343    HG3  ARG  52           HG1      ARG  52  -7.762  -1.351   5.701
  344    HD2  ARG  52           HD2      ARG  52  -9.861  -1.981   3.629
  345    HD3  ARG  52           HD1      ARG  52 -10.039  -2.107   5.378
  346    HE   ARG  52           HE       ARG  52  -9.899   0.380   3.806
  347   HH11  ARG  52          HH11      ARG  52 -10.380  -1.222   6.887
  348   HH12  ARG  52          HH12      ARG  52 -11.146   0.145   7.626
  349   HH21  ARG  52          HH21      ARG  52 -10.911   2.189   4.781
  350   HH22  ARG  52          HH22      ARG  52 -11.428   2.092   6.436
  351    H    CYS  53           HN       CYS  53  -4.839  -1.903   1.791
  352    HA   CYS  53           HA       CYS  53  -3.710   0.512   0.673
  353    HB2  CYS  53           HB2      CYS  53  -2.712  -0.873  -0.971
  354    HB3  CYS  53           HB1      CYS  53  -2.650  -1.812   0.516
  355    H    ARG  54           HN       ARG  54  -4.164   0.365  -1.998
  356    HA   ARG  54           HA       ARG  54  -6.669   1.652  -2.138
  357    HB2  ARG  54           HB2      ARG  54  -4.788   2.206  -3.615
  358    HB3  ARG  54           HB1      ARG  54  -4.919   0.630  -4.380
  359    HG2  ARG  54           HG2      ARG  54  -7.000   1.168  -5.354
  360    HG3  ARG  54           HG1      ARG  54  -7.160   2.625  -4.374
  361    HD2  ARG  54           HD2      ARG  54  -6.518   3.177  -6.652
  362    HD3  ARG  54           HD1      ARG  54  -5.247   3.612  -5.518
  363    HE   ARG  54           HE       ARG  54  -4.512   1.141  -6.361
  364   HH11  ARG  54          HH11      ARG  54  -5.421   4.071  -8.045
  365   HH12  ARG  54          HH12      ARG  54  -4.346   3.793  -9.379
  366   HH21  ARG  54          HH21      ARG  54  -3.114   0.754  -8.142
  367   HH22  ARG  54          HH22      ARG  54  -3.050   1.905  -9.440
  368    H    SER  55           HN       SER  55  -5.599  -1.526  -3.304
  369    HA   SER  55           HA       SER  55  -8.045  -2.157  -4.583
  370    HB2  SER  55           HB2      SER  55  -5.834  -3.203  -5.106
  371    HB3  SER  55           HB1      SER  55  -5.936  -4.079  -3.582
  372    HG   SER  55           HG       SER  55  -8.124  -4.283  -5.291
  373    H    CYS  56           HN       CYS  56  -6.739  -2.995  -1.384
  374    HA   CYS  56           HA       CYS  56  -8.940  -4.675  -0.707
  375    HB2  CYS  56           HB2      CYS  56  -6.859  -3.387   1.064
  376    HB3  CYS  56           HB1      CYS  56  -8.002  -4.614   1.593
  377    H    SER  57           HN       SER  57  -8.362  -1.229  -0.420
  378    HA   SER  57           HA       SER  57 -10.461  -0.961   1.583
  379    HB2  SER  57           HB2      SER  57  -8.213   0.356   1.517
  380    HB3  SER  57           HB1      SER  57  -9.037   1.367   0.332
  381    HG   SER  57           HG       SER  57 -10.193   2.221   1.868
  382    H    GLY  58           HN       GLY  58 -10.244  -0.933  -1.804
  383    HA2  GLY  58           HA2      GLY  58 -12.987  -0.430  -2.122
  384    HA3  GLY  58           HA1      GLY  58 -12.114   1.053  -2.462
  385    H    ASP  59           HN       ASP  59 -11.362   1.352  -4.451
  386    HA   ASP  59           HA       ASP  59 -11.491  -0.947  -6.297
  387    HB2  ASP  59           HB2      ASP  59 -11.981   1.969  -6.953
  388    HB3  ASP  59           HB1      ASP  59 -12.139   0.607  -8.058
  389    H    VAL  60           HN       VAL  60  -9.884  -1.111  -7.888
  390    HA   VAL  60           HA       VAL  60  -7.604   0.711  -7.551
  391    HB   VAL  60           HB       VAL  60  -7.051  -1.326  -6.354
  392   HG11  VAL  60          HG11      VAL  60  -6.903  -3.495  -7.469
  393   HG12  VAL  60          HG12      VAL  60  -7.571  -2.788  -8.938
  394   HG13  VAL  60          HG13      VAL  60  -8.552  -2.877  -7.477
  395   HG21  VAL  60          HG21      VAL  60  -5.579  -1.178  -8.981
  396   HG22  VAL  60          HG22      VAL  60  -4.990  -1.943  -7.505
  397   HG23  VAL  60          HG23      VAL  60  -5.252  -0.200  -7.549
  398    H    THR  61           HN       THR  61  -7.097   1.672  -9.395
  399    HA   THR  61           HA       THR  61  -7.622   0.245 -11.912
  400    HB   THR  61           HB       THR  61  -7.091   3.201 -11.552
  401    HG1  THR  61           HG1      THR  61  -9.536   1.742 -11.744
  402   HG21  THR  61          HG21      THR  61  -6.585   2.335 -13.787
  403   HG22  THR  61          HG22      THR  61  -8.009   3.373 -13.818
  404   HG23  THR  61          HG23      THR  61  -8.195   1.621 -13.879
  405    HA   PRO  62           HA       PRO  62  -3.148  -0.273 -11.590
  406    HB2  PRO  62           HB2      PRO  62  -2.931  -1.902 -13.779
  407    HB3  PRO  62           HB1      PRO  62  -3.391  -2.471 -12.171
  408    HG2  PRO  62           HG2      PRO  62  -5.117  -1.839 -14.525
  409    HG3  PRO  62           HG1      PRO  62  -5.245  -3.175 -13.367
  410    HD2  PRO  62           HD2      PRO  62  -6.823  -0.986 -13.234
  411    HD3  PRO  62           HD1      PRO  62  -6.300  -1.868 -11.785
  412    H    ALA  63           HN       ALA  63  -1.525   0.845 -12.451
  413    HA   ALA  63           HA       ALA  63  -2.089   2.710 -14.585
  414    HB1  ALA  63           HB1      ALA  63   0.426   2.222 -12.987
  415    HB2  ALA  63           HB2      ALA  63  -0.823   3.410 -12.620
  416    HB3  ALA  63           HB3      ALA  63   0.152   3.578 -14.079
  417    HA   PRO  64           HA       PRO  64  -0.290   0.419 -17.913
  418    HB2  PRO  64           HB2      PRO  64   0.774   2.370 -19.452
  419    HB3  PRO  64           HB1      PRO  64  -0.970   2.125 -19.293
  420    HG2  PRO  64           HG2      PRO  64   0.799   4.092 -17.885
  421    HG3  PRO  64           HG1      PRO  64  -0.789   4.353 -18.631
  422    HD2  PRO  64           HD2      PRO  64  -0.484   4.019 -15.971
  423    HD3  PRO  64           HD1      PRO  64  -1.922   3.448 -16.838
  424    H    VAL  65           HN       VAL  65   1.437   1.130 -15.509
  425    HA   VAL  65           HA       VAL  65   4.002   0.480 -16.793
  426    HB   VAL  65           HB       VAL  65   5.159   1.517 -14.868
  427   HG11  VAL  65          HG11      VAL  65   3.293   3.380 -16.333
  428   HG12  VAL  65          HG12      VAL  65   4.860   2.809 -16.904
  429   HG13  VAL  65          HG13      VAL  65   4.766   3.857 -15.488
  430   HG21  VAL  65          HG21      VAL  65   3.925   2.988 -13.345
  431   HG22  VAL  65          HG22      VAL  65   3.388   1.313 -13.207
  432   HG23  VAL  65          HG23      VAL  65   2.408   2.484 -14.090
  433    H    GLU  66           HN       GLU  66   1.539  -0.841 -15.359
  434    HA   GLU  66           HA       GLU  66   3.103  -2.583 -13.581
  435    HB2  GLU  66           HB2      GLU  66   0.139  -1.984 -13.519
  436    HB3  GLU  66           HB1      GLU  66   0.977  -3.086 -12.436
  437    HG2  GLU  66           HG2      GLU  66   2.329  -1.186 -11.616
  438    HG3  GLU  66           HG1      GLU  66   1.372  -0.110 -12.635
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  11.123  -7.321  22.226
    2    H2   GLY   1           HT2      GLY   1  10.836  -6.580  20.734
    3    H3   GLY   1           HT3      GLY   1  12.209  -7.549  20.948
    4    HA2  GLY   1           HA1      GLY   1  10.740  -9.478  21.333
    5    HA3  GLY   1           HA2      GLY   1   9.385  -8.437  20.921
    6    H    ALA   2           HN       ALA   2   9.670 -10.645  19.447
    7    HA   ALA   2           HA       ALA   2  11.408 -10.198  17.188
    8    HB1  ALA   2           HB1      ALA   2  11.034 -12.455  18.048
    9    HB2  ALA   2           HB2      ALA   2  10.544 -12.317  16.359
   10    HB3  ALA   2           HB3      ALA   2   9.324 -12.331  17.633
   11    H    MET   3           HN       MET   3   7.878 -10.606  17.532
   12    HA   MET   3           HA       MET   3   7.469  -9.796  14.806
   13    HB2  MET   3           HB2      MET   3   5.641 -10.664  17.017
   14    HB3  MET   3           HB1      MET   3   5.003 -10.009  15.514
   15    HG2  MET   3           HG2      MET   3   6.817 -12.399  15.741
   16    HG3  MET   3           HG1      MET   3   5.069 -12.457  15.522
   17    HE1  MET   3           HE1      MET   3   6.435 -13.625  12.033
   18    HE2  MET   3           HE2      MET   3   5.370 -14.020  13.385
   19    HE3  MET   3           HE3      MET   3   7.118 -13.976  13.621
   20    H    GLU   4           HN       GLU   4   8.640  -7.732  16.338
   21    HA   GLU   4           HA       GLU   4   6.524  -5.713  15.987
   22    HB2  GLU   4           HB2      GLU   4   7.686  -4.279  17.578
   23    HB3  GLU   4           HB1      GLU   4   7.285  -5.816  18.331
   24    HG2  GLU   4           HG2      GLU   4   9.556  -6.576  18.097
   25    HG3  GLU   4           HG1      GLU   4   9.985  -5.116  17.207
   26    H    GLY   5           HN       GLY   5   9.259  -7.059  14.744
   27    HA2  GLY   5           HA2      GLY   5   9.652  -4.857  12.913
   28    HA3  GLY   5           HA1      GLY   5  11.030  -5.203  13.946
   29    H    GLN   6           HN       GLN   6  11.918  -7.401  13.871
   30    HA   GLN   6           HA       GLN   6  12.942  -9.049  12.687
   31    HB2  GLN   6           HB2      GLN   6  10.227  -9.204  11.362
   32    HB3  GLN   6           HB1      GLN   6  11.514 -10.371  11.103
   33    HG2  GLN   6           HG2      GLN   6  10.193  -9.776  13.740
   34    HG3  GLN   6           HG1      GLN   6   9.865 -11.169  12.710
   35   HE21  GLN   6          HE21      GLN   6  12.110  -9.681  14.900
   36   HE22  GLN   6          HE22      GLN   6  13.127 -11.067  15.117
   37    H    GLN   7           HN       GLN   7  13.387  -6.447  11.869
   38    HA   GLN   7           HA       GLN   7  14.126  -5.116  10.197
   39    HB2  GLN   7           HB2      GLN   7  15.663  -7.029   9.825
   40    HB3  GLN   7           HB1      GLN   7  14.505  -7.711   8.691
   41    HG2  GLN   7           HG2      GLN   7  14.730  -5.602   7.347
   42    HG3  GLN   7           HG1      GLN   7  16.061  -5.153   8.410
   43   HE21  GLN   7          HE21      GLN   7  16.977  -7.921   8.673
   44   HE22  GLN   7          HE22      GLN   7  17.758  -8.303   7.179
   45    H    ASN   8           HN       ASN   8  11.800  -4.504  10.182
   46    HA   ASN   8           HA       ASN   8  10.194  -5.517   8.010
   47    HB2  ASN   8           HB2      ASN   8   9.198  -4.832  10.195
   48    HB3  ASN   8           HB1      ASN   8   9.636  -3.165   9.829
   49   HD21  ASN   8          HD21      ASN   8   7.471  -2.533   9.897
   50   HD22  ASN   8          HD22      ASN   8   6.372  -2.911   8.617
   51    H    LEU   9           HN       LEU   9  11.998  -4.910   6.532
   52    HA   LEU   9           HA       LEU   9  11.243  -2.443   5.200
   53    HB2  LEU   9           HB2      LEU   9  13.132  -1.787   6.621
   54    HB3  LEU   9           HB1      LEU   9  14.094  -3.092   5.956
   55    HG   LEU   9           HG       LEU   9  14.003  -2.005   3.737
   56   HD11  LEU   9          HD11      LEU   9  13.217   0.314   3.578
   57   HD12  LEU   9          HD12      LEU   9  12.603   0.210   5.228
   58   HD13  LEU   9          HD13      LEU   9  11.909  -0.804   3.963
   59   HD21  LEU   9          HD21      LEU   9  15.515  -0.164   4.273
   60   HD22  LEU   9          HD22      LEU   9  15.885  -1.598   5.228
   61   HD23  LEU   9          HD23      LEU   9  15.023  -0.248   5.963
   62    H    ALA  10           HN       ALA  10  10.475  -3.461   3.442
   63    HA   ALA  10           HA       ALA  10  11.959  -5.661   2.263
   64    HB1  ALA  10           HB1      ALA  10  10.057  -5.797   0.701
   65    HB2  ALA  10           HB2      ALA  10   9.353  -4.372   1.461
   66    HB3  ALA  10           HB3      ALA  10   9.546  -5.858   2.386
   67    HA   PRO  11           HA       PRO  11  14.286  -2.864  -0.258
   68    HB2  PRO  11           HB2      PRO  11  15.363  -4.750  -1.920
   69    HB3  PRO  11           HB1      PRO  11  15.971  -4.404  -0.298
   70    HG2  PRO  11           HG2      PRO  11  14.161  -6.599  -1.216
   71    HG3  PRO  11           HG1      PRO  11  15.504  -6.664  -0.060
   72    HD2  PRO  11           HD2      PRO  11  12.930  -6.587   0.734
   73    HD3  PRO  11           HD1      PRO  11  14.226  -5.808   1.664
   74    H    GLY  12           HN       GLY  12  11.982  -5.130  -1.495
   75    HA2  GLY  12           HA2      GLY  12  11.888  -3.697  -4.066
   76    HA3  GLY  12           HA1      GLY  12  11.255  -5.311  -3.780
   77    H    ALA  13           HN       ALA  13  10.649  -2.858  -1.414
   78    HA   ALA  13           HA       ALA  13   7.970  -2.401  -2.520
   79    HB1  ALA  13           HB1      ALA  13   8.450  -3.075   0.372
   80    HB2  ALA  13           HB2      ALA  13   7.891  -4.232  -0.834
   81    HB3  ALA  13           HB3      ALA  13   6.898  -2.833  -0.428
   82    H    ARG  14           HN       ARG  14   8.003  -0.303  -2.918
   83    HA   ARG  14           HA       ARG  14   8.597   1.537  -0.708
   84    HB2  ARG  14           HB2      ARG  14   9.514   1.839  -3.574
   85    HB3  ARG  14           HB1      ARG  14   9.597   3.113  -2.369
   86    HG2  ARG  14           HG2      ARG  14  11.161   1.797  -1.055
   87    HG3  ARG  14           HG1      ARG  14  11.048   0.477  -2.226
   88    HD2  ARG  14           HD2      ARG  14  11.979   1.863  -3.954
   89    HD3  ARG  14           HD1      ARG  14  11.952   3.269  -2.895
   90    HE   ARG  14           HE       ARG  14  13.570   0.990  -2.063
   91   HH11  ARG  14          HH11      ARG  14  13.402   4.212  -3.422
   92   HH12  ARG  14          HH12      ARG  14  15.093   4.532  -3.199
   93   HH21  ARG  14          HH21      ARG  14  15.799   1.408  -1.766
   94   HH22  ARG  14          HH22      ARG  14  16.455   2.937  -2.255
   95    H    CYS  15           HN       CYS  15   7.581   3.693  -1.075
   96    HA   CYS  15           HA       CYS  15   4.922   3.482  -2.069
   97    HB2  CYS  15           HB2      CYS  15   5.433   5.035  -0.264
   98    HB3  CYS  15           HB1      CYS  15   6.579   5.896  -1.284
   99    H    GLY  16           HN       GLY  16   4.572   3.221  -4.194
  100    HA2  GLY  16           HA2      GLY  16   6.390   3.815  -6.230
  101    HA3  GLY  16           HA1      GLY  16   4.683   3.487  -6.468
  102    H    VAL  17           HN       VAL  17   4.079   5.852  -4.690
  103    HA   VAL  17           HA       VAL  17   3.930   7.820  -6.761
  104    HB   VAL  17           HB       VAL  17   3.320   8.103  -3.815
  105   HG11  VAL  17          HG11      VAL  17   1.858   9.943  -4.520
  106   HG12  VAL  17          HG12      VAL  17   2.418   9.742  -6.180
  107   HG13  VAL  17          HG13      VAL  17   3.547  10.251  -4.923
  108   HG21  VAL  17          HG21      VAL  17   2.035   6.284  -4.769
  109   HG22  VAL  17          HG22      VAL  17   1.513   7.316  -6.099
  110   HG23  VAL  17          HG23      VAL  17   0.982   7.663  -4.454
  111    H    CYS  18           HN       CYS  18   6.073   7.168  -4.103
  112    HA   CYS  18           HA       CYS  18   7.305   9.825  -4.386
  113    HB2  CYS  18           HB2      CYS  18   7.289   7.891  -2.074
  114    HB3  CYS  18           HB1      CYS  18   8.288   9.336  -2.122
  115    H    GLY  19           HN       GLY  19   8.101   6.381  -4.071
  116    HA2  GLY  19           HA2      GLY  19   9.977   5.397  -5.172
  117    HA3  GLY  19           HA1      GLY  19  10.760   6.970  -5.181
  118    H    ASP  20           HN       ASP  20   9.730   7.218  -2.301
  119    HA   ASP  20           HA       ASP  20  12.033   5.946  -1.050
  120    HB2  ASP  20           HB2      ASP  20  10.041   7.999  -0.080
  121    HB3  ASP  20           HB1      ASP  20  11.220   7.252   0.989
  122    H    GLY  21           HN       GLY  21  11.890   4.552   0.707
  123    HA2  GLY  21           HA2      GLY  21   9.232   3.339   1.150
  124    HA3  GLY  21           HA1      GLY  21  10.764   2.495   1.356
  125    H    THR  22           HN       THR  22  10.980   5.635   2.427
  126    HA   THR  22           HA       THR  22  11.267   4.888   5.158
  127    HB   THR  22           HB       THR  22  11.085   7.690   4.037
  128    HG1  THR  22           HG1      THR  22  13.317   5.913   4.201
  129   HG21  THR  22          HG21      THR  22  12.540   8.254   5.919
  130   HG22  THR  22          HG22      THR  22  12.545   6.569   6.437
  131   HG23  THR  22          HG23      THR  22  11.052   7.504   6.493
  132    H    ASP  23           HN       ASP  23   9.907   5.169   6.850
  133    HA   ASP  23           HA       ASP  23   7.878   5.029   7.851
  134    HB2  ASP  23           HB2      ASP  23   6.669   7.163   8.043
  135    HB3  ASP  23           HB1      ASP  23   8.397   7.357   8.275
  136    H    VAL  24           HN       VAL  24   7.729   3.580   5.707
  137    HA   VAL  24           HA       VAL  24   5.461   4.378   4.085
  138    HB   VAL  24           HB       VAL  24   7.621   3.228   3.235
  139   HG11  VAL  24          HG11      VAL  24   7.664   1.365   4.778
  140   HG12  VAL  24          HG12      VAL  24   7.524   0.792   3.115
  141   HG13  VAL  24          HG13      VAL  24   6.108   0.800   4.167
  142   HG21  VAL  24          HG21      VAL  24   5.677   3.736   1.864
  143   HG22  VAL  24          HG22      VAL  24   4.937   2.212   2.351
  144   HG23  VAL  24          HG23      VAL  24   6.424   2.209   1.403
  145    H    LEU  25           HN       LEU  25   3.479   3.367   4.107
  146    HA   LEU  25           HA       LEU  25   2.921   1.881   6.547
  147    HB2  LEU  25           HB2      LEU  25   1.084   3.098   4.484
  148    HB3  LEU  25           HB1      LEU  25   0.539   2.242   5.914
  149    HG   LEU  25           HG       LEU  25   2.143   4.801   5.905
  150   HD11  LEU  25          HD11      LEU  25   0.112   5.847   6.695
  151   HD12  LEU  25          HD12      LEU  25  -0.740   4.305   6.621
  152   HD13  LEU  25          HD13      LEU  25  -0.171   5.072   5.137
  153   HD21  LEU  25          HD21      LEU  25   1.647   4.819   8.324
  154   HD22  LEU  25          HD22      LEU  25   2.675   3.468   7.848
  155   HD23  LEU  25          HD23      LEU  25   0.963   3.199   8.173
  156    H    ARG  26           HN       ARG  26   1.954  -0.107   6.594
  157    HA   ARG  26           HA       ARG  26   2.261  -1.685   4.131
  158    HB2  ARG  26           HB2      ARG  26   2.333  -2.605   7.015
  159    HB3  ARG  26           HB1      ARG  26   2.625  -3.608   5.603
  160    HG2  ARG  26           HG2      ARG  26   4.325  -1.268   6.441
  161    HG3  ARG  26           HG1      ARG  26   4.692  -2.962   6.767
  162    HD2  ARG  26           HD2      ARG  26   4.417  -1.698   4.039
  163    HD3  ARG  26           HD1      ARG  26   5.932  -2.134   4.827
  164    HE   ARG  26           HE       ARG  26   4.046  -4.303   4.501
  165   HH11  ARG  26          HH11      ARG  26   6.803  -2.613   3.149
  166   HH12  ARG  26          HH12      ARG  26   7.252  -3.924   2.113
  167   HH21  ARG  26          HH21      ARG  26   4.656  -6.034   3.164
  168   HH22  ARG  26          HH22      ARG  26   6.026  -5.871   2.114
  169    H    CYS  27           HN       CYS  27   0.645  -3.252   3.651
  170    HA   CYS  27           HA       CYS  27  -1.978  -2.388   4.512
  171    HB2  CYS  27           HB2      CYS  27  -1.369  -2.965   2.104
  172    HB3  CYS  27           HB1      CYS  27  -1.394  -4.664   2.597
  173    H    THR  28           HN       THR  28  -3.391  -3.497   5.745
  174    HA   THR  28           HA       THR  28  -2.276  -5.570   7.427
  175    HB   THR  28           HB       THR  28  -4.464  -5.335   8.652
  176    HG1  THR  28           HG1      THR  28  -4.901  -3.011   7.099
  177   HG21  THR  28          HG21      THR  28  -2.874  -2.810   8.182
  178   HG22  THR  28          HG22      THR  28  -2.494  -4.078   9.347
  179   HG23  THR  28          HG23      THR  28  -3.948  -3.103   9.549
  180    H    HIS  29           HN       HIS  29  -3.856  -5.637   4.524
  181    HA   HIS  29           HA       HIS  29  -5.040  -8.263   5.137
  182    HB2  HIS  29           HB2      HIS  29  -6.087  -6.070   3.371
  183    HB3  HIS  29           HB1      HIS  29  -6.571  -7.743   3.125
  184    HD1  HIS  29           HD1      HIS  29  -8.384  -8.641   4.602
  185    HD2  HIS  29           HD2      HIS  29  -6.892  -5.000   5.944
  186    HE1  HIS  29           HE1      HIS  29  -9.916  -7.927   6.467
  187    HE2  HIS  29           HE2      HIS  29  -8.976  -5.736   7.287
  188    H    CYS  30           HN       CYS  30  -2.803  -6.539   3.247
  189    HA   CYS  30           HA       CYS  30  -2.042  -8.996   1.939
  190    HB2  CYS  30           HB2      CYS  30  -2.195  -8.286  -0.295
  191    HB3  CYS  30           HB1      CYS  30  -3.715  -7.753   0.412
  192    H    ALA  31           HN       ALA  31  -0.160  -7.973   0.209
  193    HA   ALA  31           HA       ALA  31   1.706  -6.671   2.050
  194    HB1  ALA  31           HB1      ALA  31   2.420  -8.868   1.261
  195    HB2  ALA  31           HB2      ALA  31   3.492  -7.603   0.664
  196    HB3  ALA  31           HB3      ALA  31   2.288  -8.316  -0.409
  197    H    ALA  32           HN       ALA  32   1.956  -4.563   1.717
  198    HA   ALA  32           HA       ALA  32   2.484  -3.522  -0.910
  199    HB1  ALA  32           HB1      ALA  32   0.659  -1.925  -0.987
  200    HB2  ALA  32           HB2      ALA  32   0.020  -2.542   0.534
  201    HB3  ALA  32           HB3      ALA  32   0.015  -3.564  -0.902
  202    H    ALA  33           HN       ALA  33   3.528  -1.560  -0.844
  203    HA   ALA  33           HA       ALA  33   3.903  -0.333   1.813
  204    HB1  ALA  33           HB1      ALA  33   5.993  -0.660  -0.341
  205    HB2  ALA  33           HB2      ALA  33   5.912  -1.574   1.165
  206    HB3  ALA  33           HB3      ALA  33   6.214   0.163   1.203
  207    H    PHE  34           HN       PHE  34   2.938   1.579   1.785
  208    HA   PHE  34           HA       PHE  34   3.539   3.500  -0.284
  209    HB2  PHE  34           HB2      PHE  34   1.189   3.932  -0.884
  210    HB3  PHE  34           HB1      PHE  34   1.661   2.292  -1.313
  211    HD1  PHE  34           HD2      PHE  34   0.873   0.384   0.063
  212    HD2  PHE  34           HD1      PHE  34  -0.538   4.350   0.682
  213    HE1  PHE  34           HE2      PHE  34  -1.035  -0.498   1.340
  214    HE2  PHE  34           HE1      PHE  34  -2.448   3.476   1.959
  215    HZ   PHE  34           HZ       PHE  34  -2.699   1.048   2.289
  216    H    HIS  35           HN       HIS  35   2.682   5.660   0.296
  217    HA   HIS  35           HA       HIS  35   2.285   5.919   3.185
  218    HB2  HIS  35           HB2      HIS  35   2.634   8.121   1.129
  219    HB3  HIS  35           HB1      HIS  35   2.636   8.316   2.876
  220    HD2  HIS  35           HD2      HIS  35   4.839   6.108   3.703
  221    HE1  HIS  35           HE1      HIS  35   7.290   8.116   0.893
  222    HE2  HIS  35           HE2      HIS  35   7.270   6.721   3.025
  223    H    TRP  36           HN       TRP  36   0.372   6.709   4.060
  224    HA   TRP  36           HA       TRP  36  -1.984   6.022   2.816
  225    HB2  TRP  36           HB2      TRP  36  -1.782   6.397   5.241
  226    HB3  TRP  36           HB1      TRP  36  -1.630   8.127   4.959
  227    HD1  TRP  36           HD1      TRP  36  -3.813   9.443   5.176
  228    HE1  TRP  36           HE1      TRP  36  -6.323   8.880   5.090
  229    HE3  TRP  36           HE3      TRP  36  -3.493   4.487   3.962
  230    HZ2  TRP  36           HZ2      TRP  36  -7.948   6.630   4.574
  231    HZ3  TRP  36           HZ3      TRP  36  -5.571   3.202   3.692
  232    HH2  TRP  36           HH2      TRP  36  -7.753   4.254   3.992
  233    H    ARG  37           HN       ARG  37  -0.635   9.293   3.123
  234    HA   ARG  37           HA       ARG  37  -2.785  10.583   1.820
  235    HB2  ARG  37           HB2      ARG  37   0.056  11.535   2.200
  236    HB3  ARG  37           HB1      ARG  37  -1.315  12.548   1.768
  237    HG2  ARG  37           HG2      ARG  37  -2.379  11.993   3.913
  238    HG3  ARG  37           HG1      ARG  37  -0.967  11.026   4.343
  239    HD2  ARG  37           HD2      ARG  37  -0.986  13.987   3.772
  240    HD3  ARG  37           HD1      ARG  37  -0.863  13.238   5.364
  241    HE   ARG  37           HE       ARG  37   1.229  12.165   4.053
  242   HH11  ARG  37          HH11      ARG  37   0.140  15.467   4.446
  243   HH12  ARG  37          HH12      ARG  37   1.736  16.142   4.357
  244   HH21  ARG  37          HH21      ARG  37   3.337  13.052   3.925
  245   HH22  ARG  37          HH22      ARG  37   3.553  14.766   4.068
  246    H    CYS  38           HN       CYS  38  -0.148   8.814   0.578
  247    HA   CYS  38           HA       CYS  38  -0.072  10.178  -1.970
  248    HB2  CYS  38           HB2      CYS  38   1.249   7.589  -1.136
  249    HB3  CYS  38           HB1      CYS  38   1.632   8.552  -2.561
  250    H    HIS  39           HN       HIS  39  -1.744   7.550  -0.528
  251    HA   HIS  39           HA       HIS  39  -2.668   6.606  -3.153
  252    HB2  HIS  39           HB2      HIS  39  -2.253   5.334  -0.555
  253    HB3  HIS  39           HB1      HIS  39  -3.816   4.951  -1.265
  254    HD1  HIS  39           HD1      HIS  39  -3.674   2.800  -2.422
  255    HD2  HIS  39           HD2      HIS  39  -0.199   5.020  -2.906
  256    HE1  HIS  39           HE1      HIS  39  -2.140   1.350  -3.789
  257    HE2  HIS  39           HE2      HIS  39  -0.144   2.816  -4.270
  258    H    PHE  40           HN       PHE  40  -3.719   8.013  -0.130
  259    HA   PHE  40           HA       PHE  40  -6.385   8.427  -1.305
  260    HB2  PHE  40           HB2      PHE  40  -5.668   7.884   1.587
  261    HB3  PHE  40           HB1      PHE  40  -7.266   8.372   1.036
  262    HD1  PHE  40           HD1      PHE  40  -4.751   5.680   0.907
  263    HD2  PHE  40           HD2      PHE  40  -8.775   6.803   0.097
  264    HE1  PHE  40           HE1      PHE  40  -5.325   3.319   0.517
  265    HE2  PHE  40           HE2      PHE  40  -9.358   4.444  -0.290
  266    HZ   PHE  40           HZ       PHE  40  -7.652   2.699  -0.063
  267    HA   PRO  41           HA       PRO  41  -5.413  12.764  -0.912
  268    HB2  PRO  41           HB2      PRO  41  -8.061  13.590  -0.712
  269    HB3  PRO  41           HB1      PRO  41  -7.178  13.353  -2.222
  270    HG2  PRO  41           HG2      PRO  41  -9.087  11.529  -0.829
  271    HG3  PRO  41           HG1      PRO  41  -8.881  11.830  -2.565
  272    HD2  PRO  41           HD2      PRO  41  -7.923   9.614  -1.417
  273    HD3  PRO  41           HD1      PRO  41  -7.030  10.438  -2.712
  274    H    ALA  42           HN       ALA  42  -5.576  14.426   0.625
  275    HA   ALA  42           HA       ALA  42  -5.247  13.499   3.243
  276    HB1  ALA  42           HB1      ALA  42  -4.112  15.471   2.377
  277    HB2  ALA  42           HB2      ALA  42  -4.979  15.833   3.868
  278    HB3  ALA  42           HB3      ALA  42  -5.648  16.335   2.316
  279    H    GLY  43           HN       GLY  43  -8.097  14.551   1.614
  280    HA2  GLY  43           HA2      GLY  43  -9.626  15.196   3.937
  281    HA3  GLY  43           HA1      GLY  43 -10.263  14.832   2.339
  282    H    THR  44           HN       THR  44  -8.606  12.245   2.521
  283    HA   THR  44           HA       THR  44 -10.727  10.664   3.709
  284    HB   THR  44           HB       THR  44  -8.174   9.701   2.400
  285    HG1  THR  44           HG1      THR  44 -10.127  11.030   1.269
  286   HG21  THR  44          HG21      THR  44  -9.346   8.021   3.758
  287   HG22  THR  44          HG22      THR  44  -9.429   7.634   2.041
  288   HG23  THR  44          HG23      THR  44 -10.829   8.330   2.856
  289    H    SER  45           HN       SER  45 -10.659   9.835   5.689
  290    HA   SER  45           HA       SER  45  -8.336  10.387   7.333
  291    HB2  SER  45           HB2      SER  45 -10.993   9.196   8.152
  292    HB3  SER  45           HB1      SER  45  -9.793   9.955   9.199
  293    HG   SER  45           HG       SER  45 -10.196  11.924   8.120
  294    H    ARG  46           HN       ARG  46  -7.008   8.893   8.204
  295    HA   ARG  46           HA       ARG  46  -6.938   6.291   7.069
  296    HB2  ARG  46           HB2      ARG  46  -4.997   5.930   8.508
  297    HB3  ARG  46           HB1      ARG  46  -4.895   7.483   7.702
  298    HG2  ARG  46           HG2      ARG  46  -5.608   8.610   9.732
  299    HG3  ARG  46           HG1      ARG  46  -5.767   7.058  10.552
  300    HD2  ARG  46           HD2      ARG  46  -3.366   6.656  10.223
  301    HD3  ARG  46           HD1      ARG  46  -3.223   8.232   9.440
  302    HE   ARG  46           HE       ARG  46  -4.334   8.810  11.848
  303   HH11  ARG  46          HH11      ARG  46  -1.461   7.072  10.866
  304   HH12  ARG  46          HH12      ARG  46  -0.583   7.457  12.311
  305   HH21  ARG  46          HH21      ARG  46  -3.182   9.324  13.748
  306   HH22  ARG  46          HH22      ARG  46  -1.562   8.742  13.946
  307    HA   PRO  47           HA       PRO  47  -9.818   4.472   9.897
  308    HB2  PRO  47           HB2      PRO  47  -9.601   1.919   9.033
  309    HB3  PRO  47           HB1      PRO  47 -10.455   3.164   8.116
  310    HG2  PRO  47           HG2      PRO  47  -7.687   2.095   7.734
  311    HG3  PRO  47           HG1      PRO  47  -8.919   2.479   6.517
  312    HD2  PRO  47           HD2      PRO  47  -6.845   4.137   7.105
  313    HD3  PRO  47           HD1      PRO  47  -8.422   4.719   6.536
  314    H    GLY  48           HN       GLY  48  -9.725   3.539  11.874
  315    HA2  GLY  48           HA2      GLY  48  -7.120   2.630  12.826
  316    HA3  GLY  48           HA1      GLY  48  -8.540   2.948  13.815
  317    H    THR  49           HN       THR  49  -9.467   1.202  11.182
  318    HA   THR  49           HA       THR  49  -9.641  -1.259  12.723
  319    HB   THR  49           HB       THR  49 -11.046  -1.951  10.672
  320    HG1  THR  49           HG1      THR  49 -11.890   0.008   9.596
  321   HG21  THR  49          HG21      THR  49 -12.052  -1.372  12.808
  322   HG22  THR  49          HG22      THR  49 -13.004  -0.692  11.491
  323   HG23  THR  49          HG23      THR  49 -11.927   0.344  12.426
  324    H    GLY  50           HN       GLY  50  -7.159  -0.171  11.315
  325    HA2  GLY  50           HA2      GLY  50  -5.357  -1.593  10.607
  326    HA3  GLY  50           HA1      GLY  50  -6.539  -2.620   9.807
  327    H    LEU  51           HN       LEU  51  -4.083  -0.905   9.004
  328    HA   LEU  51           HA       LEU  51  -5.057   1.025   7.162
  329    HB2  LEU  51           HB2      LEU  51  -2.667   0.567   8.270
  330    HB3  LEU  51           HB1      LEU  51  -2.410  -0.282   6.761
  331    HG   LEU  51           HG       LEU  51  -1.531   1.995   6.682
  332   HD11  LEU  51          HD11      LEU  51  -3.938   1.652   4.907
  333   HD12  LEU  51          HD12      LEU  51  -2.334   0.975   4.618
  334   HD13  LEU  51          HD13      LEU  51  -2.567   2.723   4.616
  335   HD21  LEU  51          HD21      LEU  51  -3.081   3.031   8.264
  336   HD22  LEU  51          HD22      LEU  51  -4.386   2.878   7.088
  337   HD23  LEU  51          HD23      LEU  51  -3.010   3.925   6.746
  338    H    ARG  52           HN       ARG  52  -5.929   0.710   5.210
  339    HA   ARG  52           HA       ARG  52  -5.503  -1.896   3.900
  340    HB2  ARG  52           HB2      ARG  52  -7.953  -0.123   3.871
  341    HB3  ARG  52           HB1      ARG  52  -7.744  -1.526   2.836
  342    HG2  ARG  52           HG2      ARG  52  -7.553  -2.934   4.869
  343    HG3  ARG  52           HG1      ARG  52  -7.916  -1.505   5.840
  344    HD2  ARG  52           HD2      ARG  52  -9.699  -2.703   3.720
  345    HD3  ARG  52           HD1      ARG  52  -9.915  -2.874   5.461
  346    HE   ARG  52           HE       ARG  52  -9.927  -0.212   5.169
  347   HH11  ARG  52          HH11      ARG  52 -11.636  -2.734   3.430
  348   HH12  ARG  52          HH12      ARG  52 -13.007  -1.730   3.077
  349   HH21  ARG  52          HH21      ARG  52 -11.729   1.108   4.688
  350   HH22  ARG  52          HH22      ARG  52 -13.060   0.443   3.793
  351    H    CYS  53           HN       CYS  53  -4.857  -1.905   1.819
  352    HA   CYS  53           HA       CYS  53  -4.112   0.583   0.571
  353    HB2  CYS  53           HB2      CYS  53  -3.056  -0.741  -1.102
  354    HB3  CYS  53           HB1      CYS  53  -2.785  -1.588   0.421
  355    H    ARG  54           HN       ARG  54  -4.627   0.373  -2.044
  356    HA   ARG  54           HA       ARG  54  -7.260   1.275  -2.256
  357    HB2  ARG  54           HB2      ARG  54  -5.570   1.926  -3.867
  358    HB3  ARG  54           HB1      ARG  54  -5.375   0.264  -4.390
  359    HG2  ARG  54           HG2      ARG  54  -6.657   1.467  -6.015
  360    HG3  ARG  54           HG1      ARG  54  -7.684   0.274  -5.223
  361    HD2  ARG  54           HD2      ARG  54  -8.530   2.092  -3.739
  362    HD3  ARG  54           HD1      ARG  54  -7.613   3.244  -4.712
  363    HE   ARG  54           HE       ARG  54  -9.357   1.592  -6.277
  364   HH11  ARG  54          HH11      ARG  54  -9.170   4.518  -4.356
  365   HH12  ARG  54          HH12      ARG  54 -10.569   5.236  -5.088
  366   HH21  ARG  54          HH21      ARG  54 -11.190   2.532  -7.240
  367   HH22  ARG  54          HH22      ARG  54 -11.714   4.106  -6.734
  368    H    SER  55           HN       SER  55  -5.860  -1.839  -3.275
  369    HA   SER  55           HA       SER  55  -8.250  -2.844  -4.361
  370    HB2  SER  55           HB2      SER  55  -6.038  -3.749  -4.934
  371    HB3  SER  55           HB1      SER  55  -5.867  -4.371  -3.297
  372    HG   SER  55           HG       SER  55  -7.221  -5.954  -3.729
  373    H    CYS  56           HN       CYS  56  -6.789  -3.297  -1.144
  374    HA   CYS  56           HA       CYS  56  -8.809  -5.112  -0.282
  375    HB2  CYS  56           HB2      CYS  56  -6.812  -3.532   1.341
  376    HB3  CYS  56           HB1      CYS  56  -7.819  -4.834   1.964
  377    H    SER  57           HN       SER  57  -8.704  -1.668  -0.465
  378    HA   SER  57           HA       SER  57 -10.707  -1.299   1.582
  379    HB2  SER  57           HB2      SER  57 -10.701   1.043   0.959
  380    HB3  SER  57           HB1      SER  57  -9.037   0.477   1.060
  381    HG   SER  57           HG       SER  57  -9.313   0.126  -1.328
  382    H    GLY  58           HN       GLY  58 -10.666  -2.287  -1.633
  383    HA2  GLY  58           HA2      GLY  58 -13.532  -1.657  -1.940
  384    HA3  GLY  58           HA1      GLY  58 -12.421  -1.873  -3.287
  385    H    ASP  59           HN       ASP  59 -12.566  -3.774  -4.276
  386    HA   ASP  59           HA       ASP  59 -12.963  -6.193  -2.712
  387    HB2  ASP  59           HB2      ASP  59 -15.255  -5.452  -3.213
  388    HB3  ASP  59           HB1      ASP  59 -14.867  -5.400  -4.928
  389    H    VAL  60           HN       VAL  60 -12.200  -8.042  -3.716
  390    HA   VAL  60           HA       VAL  60 -10.418  -7.538  -5.961
  391    HB   VAL  60           HB       VAL  60 -10.755 -10.064  -4.334
  392   HG11  VAL  60          HG11      VAL  60  -8.560 -10.664  -5.223
  393   HG12  VAL  60          HG12      VAL  60  -8.541  -9.184  -6.182
  394   HG13  VAL  60          HG13      VAL  60  -9.736 -10.437  -6.517
  395   HG21  VAL  60          HG21      VAL  60 -10.065  -8.224  -2.903
  396   HG22  VAL  60          HG22      VAL  60  -8.760  -7.826  -4.019
  397   HG23  VAL  60          HG23      VAL  60  -8.732  -9.353  -3.140
  398    H    THR  61           HN       THR  61 -11.501  -7.545  -7.829
  399    HA   THR  61           HA       THR  61 -13.526  -9.600  -8.330
  400    HB   THR  61           HB       THR  61 -14.014  -8.147 -10.366
  401    HG1  THR  61           HG1      THR  61 -11.820  -7.022  -9.876
  402   HG21  THR  61          HG21      THR  61 -15.414  -8.107  -8.363
  403   HG22  THR  61          HG22      THR  61 -15.269  -6.493  -9.059
  404   HG23  THR  61          HG23      THR  61 -14.337  -6.923  -7.625
  405    HA   PRO  62           HA       PRO  62 -10.288 -11.555 -10.870
  406    HB2  PRO  62           HB2      PRO  62 -12.286 -13.710 -10.989
  407    HB3  PRO  62           HB1      PRO  62 -10.616 -13.766 -10.421
  408    HG2  PRO  62           HG2      PRO  62 -12.692 -13.942  -8.724
  409    HG3  PRO  62           HG1      PRO  62 -11.184 -13.124  -8.277
  410    HD2  PRO  62           HD2      PRO  62 -13.792 -11.939  -9.160
  411    HD3  PRO  62           HD1      PRO  62 -12.695 -11.411  -7.865
  412    H    ALA  63           HN       ALA  63 -10.155 -11.695 -13.068
  413    HA   ALA  63           HA       ALA  63 -12.246 -10.531 -14.613
  414    HB1  ALA  63           HB1      ALA  63 -10.764 -10.863 -16.514
  415    HB2  ALA  63           HB2      ALA  63  -9.726 -11.902 -15.539
  416    HB3  ALA  63           HB3      ALA  63  -9.879 -10.192 -15.144
  417    HA   PRO  64           HA       PRO  64 -14.271 -14.449 -15.374
  418    HB2  PRO  64           HB2      PRO  64 -16.496 -13.469 -16.494
  419    HB3  PRO  64           HB1      PRO  64 -16.180 -13.297 -14.764
  420    HG2  PRO  64           HG2      PRO  64 -15.862 -11.296 -16.958
  421    HG3  PRO  64           HG1      PRO  64 -16.470 -11.064 -15.309
  422    HD2  PRO  64           HD2      PRO  64 -13.900 -10.465 -16.146
  423    HD3  PRO  64           HD1      PRO  64 -14.375 -10.765 -14.463
  424    H    VAL  65           HN       VAL  65 -12.203 -13.648 -17.161
  425    HA   VAL  65           HA       VAL  65 -13.411 -14.285 -19.772
  426    HB   VAL  65           HB       VAL  65 -10.798 -12.837 -19.303
  427   HG11  VAL  65          HG11      VAL  65 -10.916 -12.352 -21.700
  428   HG12  VAL  65          HG12      VAL  65 -12.395 -13.307 -21.818
  429   HG13  VAL  65          HG13      VAL  65 -10.871 -14.088 -21.390
  430   HG21  VAL  65          HG21      VAL  65 -12.648 -11.441 -18.580
  431   HG22  VAL  65          HG22      VAL  65 -13.486 -11.728 -20.106
  432   HG23  VAL  65          HG23      VAL  65 -11.970 -10.825 -20.088
  433    H    GLU  66           HN       GLU  66 -13.209 -16.456 -19.837
  434    HA   GLU  66           HA       GLU  66 -10.505 -17.568 -19.626
  435    HB2  GLU  66           HB2      GLU  66 -12.989 -18.744 -18.363
  436    HB3  GLU  66           HB1      GLU  66 -11.429 -19.551 -18.455
  437    HG2  GLU  66           HG2      GLU  66 -10.429 -17.852 -17.058
  438    HG3  GLU  66           HG1      GLU  66 -11.945 -16.952 -17.024
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  33.555  -3.281  -1.282
    2    H2   GLY   1           HT2      GLY   1  34.364  -4.069  -2.540
    3    H3   GLY   1           HT3      GLY   1  33.495  -2.651  -2.855
    4    HA2  GLY   1           HA1      GLY   1  35.959  -2.895  -1.220
    5    HA3  GLY   1           HA2      GLY   1  35.832  -2.161  -2.809
    6    H    ALA   2           HN       ALA   2  36.307  -1.374   0.211
    7    HA   ALA   2           HA       ALA   2  36.143   0.479   1.476
    8    HB1  ALA   2           HB1      ALA   2  36.851   1.652  -0.536
    9    HB2  ALA   2           HB2      ALA   2  35.726   2.629   0.408
   10    HB3  ALA   2           HB3      ALA   2  35.171   1.804  -1.048
   11    H    MET   3           HN       MET   3  33.395   1.461  -0.520
   12    HA   MET   3           HA       MET   3  31.469   0.432   1.347
   13    HB2  MET   3           HB2      MET   3  32.217   2.440   2.555
   14    HB3  MET   3           HB1      MET   3  31.847   3.429   1.150
   15    HG2  MET   3           HG2      MET   3  29.489   2.879   1.360
   16    HG3  MET   3           HG1      MET   3  29.843   1.835   2.735
   17    HE1  MET   3           HE1      MET   3  30.574   2.668   5.090
   18    HE2  MET   3           HE2      MET   3  30.936   4.349   5.486
   19    HE3  MET   3           HE3      MET   3  31.987   3.456   4.386
   20    H    GLU   4           HN       GLU   4  30.818  -0.558  -0.615
   21    HA   GLU   4           HA       GLU   4  29.578   1.232  -2.578
   22    HB2  GLU   4           HB2      GLU   4  30.158  -1.732  -2.721
   23    HB3  GLU   4           HB1      GLU   4  29.423  -0.782  -4.005
   24    HG2  GLU   4           HG2      GLU   4  31.440   0.552  -4.200
   25    HG3  GLU   4           HG1      GLU   4  32.178  -0.345  -2.873
   26    H    GLY   5           HN       GLY   5  28.046   1.589  -0.684
   27    HA2  GLY   5           HA2      GLY   5  25.803  -0.303  -0.974
   28    HA3  GLY   5           HA1      GLY   5  26.276   0.297   0.609
   29    H    GLN   6           HN       GLN   6  26.199   2.085  -2.411
   30    HA   GLN   6           HA       GLN   6  24.628   4.162  -1.170
   31    HB2  GLN   6           HB2      GLN   6  25.935   3.840  -3.859
   32    HB3  GLN   6           HB1      GLN   6  24.816   5.158  -3.556
   33    HG2  GLN   6           HG2      GLN   6  27.105   5.891  -3.274
   34    HG3  GLN   6           HG1      GLN   6  26.238   5.962  -1.745
   35   HE21  GLN   6          HE21      GLN   6  28.728   4.348  -3.556
   36   HE22  GLN   6          HE22      GLN   6  29.453   3.532  -2.209
   37    H    GLN   7           HN       GLN   7  24.155   1.505  -3.321
   38    HA   GLN   7           HA       GLN   7  21.480   2.278  -4.079
   39    HB2  GLN   7           HB2      GLN   7  22.981  -0.328  -4.402
   40    HB3  GLN   7           HB1      GLN   7  21.386  -0.005  -5.069
   41    HG2  GLN   7           HG2      GLN   7  23.888   1.522  -5.752
   42    HG3  GLN   7           HG1      GLN   7  23.182   0.233  -6.724
   43   HE21  GLN   7          HE21      GLN   7  22.866   3.526  -5.666
   44   HE22  GLN   7          HE22      GLN   7  21.632   3.978  -6.788
   45    H    ASN   8           HN       ASN   8  19.958   2.273  -2.573
   46    HA   ASN   8           HA       ASN   8  20.014   0.157  -0.527
   47    HB2  ASN   8           HB2      ASN   8  18.960   2.983  -0.432
   48    HB3  ASN   8           HB1      ASN   8  18.548   1.778   0.782
   49   HD21  ASN   8          HD21      ASN   8  21.135   3.671  -0.615
   50   HD22  ASN   8          HD22      ASN   8  22.238   3.484   0.704
   51    H    LEU   9           HN       LEU   9  18.871  -1.358  -1.722
   52    HA   LEU   9           HA       LEU   9  16.265  -0.689  -2.785
   53    HB2  LEU   9           HB2      LEU   9  17.776  -3.295  -2.609
   54    HB3  LEU   9           HB1      LEU   9  16.163  -3.166  -3.275
   55    HG   LEU   9           HG       LEU   9  17.644  -3.235  -5.112
   56   HD11  LEU   9          HD11      LEU   9  17.282  -1.116  -6.223
   57   HD12  LEU   9          HD12      LEU   9  16.924  -0.344  -4.680
   58   HD13  LEU   9          HD13      LEU   9  15.850  -1.592  -5.312
   59   HD21  LEU   9          HD21      LEU   9  19.534  -1.707  -5.401
   60   HD22  LEU   9          HD22      LEU   9  19.723  -2.724  -3.973
   61   HD23  LEU   9          HD23      LEU   9  19.235  -1.039  -3.796
   62    H    ALA  10           HN       ALA  10  14.505  -0.639  -1.593
   63    HA   ALA  10           HA       ALA  10  14.476  -1.567   1.113
   64    HB1  ALA  10           HB1      ALA  10  12.181  -0.726   1.144
   65    HB2  ALA  10           HB2      ALA  10  12.227  -0.512  -0.605
   66    HB3  ALA  10           HB3      ALA  10  13.277   0.456   0.429
   67    HA   PRO  11           HA       PRO  11  13.132  -5.692   0.318
   68    HB2  PRO  11           HB2      PRO  11  12.150  -6.315   2.763
   69    HB3  PRO  11           HB1      PRO  11  13.879  -6.164   2.436
   70    HG2  PRO  11           HG2      PRO  11  12.009  -4.195   3.691
   71    HG3  PRO  11           HG1      PRO  11  13.664  -4.623   4.160
   72    HD2  PRO  11           HD2      PRO  11  13.059  -2.390   2.741
   73    HD3  PRO  11           HD1      PRO  11  14.601  -3.253   2.577
   74    H    GLY  12           HN       GLY  12  11.421  -4.507  -1.083
   75    HA2  GLY  12           HA2      GLY  12   9.259  -4.542  -1.859
   76    HA3  GLY  12           HA1      GLY  12   8.912  -5.736  -0.616
   77    H    ALA  13           HN       ALA  13  10.111  -2.478  -0.082
   78    HA   ALA  13           HA       ALA  13   7.539  -1.676   1.030
   79    HB1  ALA  13           HB1      ALA  13   8.514  -1.036   3.169
   80    HB2  ALA  13           HB2      ALA  13  10.080  -1.661   2.654
   81    HB3  ALA  13           HB3      ALA  13   8.723  -2.763   2.880
   82    H    ARG  14           HN       ARG  14   7.753  -0.331  -0.933
   83    HA   ARG  14           HA       ARG  14   9.015   2.195  -0.235
   84    HB2  ARG  14           HB2      ARG  14  10.691   0.945  -1.567
   85    HB3  ARG  14           HB1      ARG  14   9.532   0.827  -2.882
   86    HG2  ARG  14           HG2      ARG  14   9.521   3.259  -3.092
   87    HG3  ARG  14           HG1      ARG  14  10.684   3.378  -1.769
   88    HD2  ARG  14           HD2      ARG  14  11.834   3.555  -3.888
   89    HD3  ARG  14           HD1      ARG  14  12.280   2.047  -3.089
   90    HE   ARG  14           HE       ARG  14  10.105   1.620  -4.844
   91   HH11  ARG  14          HH11      ARG  14  13.549   2.241  -4.878
   92   HH12  ARG  14          HH12      ARG  14  13.813   1.404  -6.372
   93   HH21  ARG  14          HH21      ARG  14  10.440   0.534  -6.820
   94   HH22  ARG  14          HH22      ARG  14  12.040   0.425  -7.479
   95    H    CYS  15           HN       CYS  15   7.681   3.838  -0.664
   96    HA   CYS  15           HA       CYS  15   5.151   3.439  -1.906
   97    HB2  CYS  15           HB2      CYS  15   5.340   5.089  -0.170
   98    HB3  CYS  15           HB1      CYS  15   6.643   5.913  -1.013
   99    H    GLY  16           HN       GLY  16   4.913   3.174  -4.028
  100    HA2  GLY  16           HA2      GLY  16   6.926   3.722  -5.921
  101    HA3  GLY  16           HA1      GLY  16   5.262   3.295  -6.289
  102    H    VAL  17           HN       VAL  17   4.161   5.585  -4.862
  103    HA   VAL  17           HA       VAL  17   4.088   7.440  -6.973
  104    HB   VAL  17           HB       VAL  17   3.312   7.888  -4.085
  105   HG11  VAL  17          HG11      VAL  17   1.842   9.635  -4.965
  106   HG12  VAL  17          HG12      VAL  17   2.477   9.353  -6.586
  107   HG13  VAL  17          HG13      VAL  17   3.537   9.976  -5.321
  108   HG21  VAL  17          HG21      VAL  17   1.041   7.313  -4.810
  109   HG22  VAL  17          HG22      VAL  17   2.157   5.966  -5.033
  110   HG23  VAL  17          HG23      VAL  17   1.654   6.933  -6.418
  111    H    CYS  18           HN       CYS  18   5.981   7.316  -4.012
  112    HA   CYS  18           HA       CYS  18   7.156   9.930  -4.596
  113    HB2  CYS  18           HB2      CYS  18   7.387   8.120  -2.186
  114    HB3  CYS  18           HB1      CYS  18   8.245   9.647  -2.358
  115    H    GLY  19           HN       GLY  19   8.070   6.548  -4.206
  116    HA2  GLY  19           HA2      GLY  19   9.932   5.553  -5.296
  117    HA3  GLY  19           HA1      GLY  19  10.674   7.143  -5.419
  118    H    ASP  20           HN       ASP  20   9.369   6.969  -2.432
  119    HA   ASP  20           HA       ASP  20  11.872   5.993  -1.231
  120    HB2  ASP  20           HB2      ASP  20  10.025   8.190  -0.270
  121    HB3  ASP  20           HB1      ASP  20  11.389   7.565   0.648
  122    H    GLY  21           HN       GLY  21  11.746   4.668   0.544
  123    HA2  GLY  21           HA2      GLY  21   9.048   3.635   1.153
  124    HA3  GLY  21           HA1      GLY  21  10.530   2.692   1.258
  125    H    THR  22           HN       THR  22  11.030   5.795   2.394
  126    HA   THR  22           HA       THR  22  11.312   4.932   5.096
  127    HB   THR  22           HB       THR  22  11.284   7.786   4.101
  128    HG1  THR  22           HG1      THR  22  13.164   7.426   3.180
  129   HG21  THR  22          HG21      THR  22  12.861   8.133   5.966
  130   HG22  THR  22          HG22      THR  22  12.669   6.442   6.427
  131   HG23  THR  22          HG23      THR  22  11.295   7.545   6.526
  132    H    ASP  23           HN       ASP  23   9.941   5.160   6.785
  133    HA   ASP  23           HA       ASP  23   7.954   5.305   7.873
  134    HB2  ASP  23           HB2      ASP  23   8.035   7.962   6.459
  135    HB3  ASP  23           HB1      ASP  23   6.719   7.533   7.545
  136    H    VAL  24           HN       VAL  24   7.712   3.631   5.846
  137    HA   VAL  24           HA       VAL  24   5.495   4.441   4.143
  138    HB   VAL  24           HB       VAL  24   7.592   3.141   3.369
  139   HG11  VAL  24          HG11      VAL  24   5.992   0.856   4.489
  140   HG12  VAL  24          HG12      VAL  24   7.584   1.393   5.030
  141   HG13  VAL  24          HG13      VAL  24   7.385   0.706   3.416
  142   HG21  VAL  24          HG21      VAL  24   4.886   2.130   2.551
  143   HG22  VAL  24          HG22      VAL  24   6.372   2.082   1.599
  144   HG23  VAL  24          HG23      VAL  24   5.626   3.629   1.992
  145    H    LEU  25           HN       LEU  25   3.488   3.439   4.124
  146    HA   LEU  25           HA       LEU  25   2.813   2.041   6.597
  147    HB2  LEU  25           HB2      LEU  25   1.055   3.306   4.491
  148    HB3  LEU  25           HB1      LEU  25   0.460   2.491   5.927
  149    HG   LEU  25           HG       LEU  25   2.063   5.042   5.818
  150   HD11  LEU  25          HD11      LEU  25  -0.288   5.288   5.260
  151   HD12  LEU  25          HD12      LEU  25   0.062   6.012   6.830
  152   HD13  LEU  25          HD13      LEU  25  -0.742   4.446   6.742
  153   HD21  LEU  25          HD21      LEU  25   1.837   5.092   8.260
  154   HD22  LEU  25          HD22      LEU  25   2.799   3.719   7.721
  155   HD23  LEU  25          HD23      LEU  25   1.126   3.480   8.223
  156    H    ARG  26           HN       ARG  26   1.655   0.110   6.610
  157    HA   ARG  26           HA       ARG  26   2.061  -1.512   4.186
  158    HB2  ARG  26           HB2      ARG  26   2.054  -2.340   7.095
  159    HB3  ARG  26           HB1      ARG  26   2.246  -3.435   5.735
  160    HG2  ARG  26           HG2      ARG  26   4.131  -1.193   6.433
  161    HG3  ARG  26           HG1      ARG  26   4.374  -2.895   6.829
  162    HD2  ARG  26           HD2      ARG  26   4.158  -1.714   4.061
  163    HD3  ARG  26           HD1      ARG  26   5.634  -2.286   4.839
  164    HE   ARG  26           HE       ARG  26   3.671  -4.334   4.757
  165   HH11  ARG  26          HH11      ARG  26   6.006  -2.657   2.782
  166   HH12  ARG  26          HH12      ARG  26   6.170  -3.949   1.636
  167   HH21  ARG  26          HH21      ARG  26   3.867  -6.044   3.253
  168   HH22  ARG  26          HH22      ARG  26   4.942  -5.875   1.900
  169    H    CYS  27           HN       CYS  27   0.472  -3.023   3.608
  170    HA   CYS  27           HA       CYS  27  -2.212  -2.379   4.494
  171    HB2  CYS  27           HB2      CYS  27  -1.574  -2.926   2.075
  172    HB3  CYS  27           HB1      CYS  27  -1.429  -4.611   2.587
  173    H    THR  28           HN       THR  28  -3.449  -3.609   5.867
  174    HA   THR  28           HA       THR  28  -1.971  -5.566   7.395
  175    HB   THR  28           HB       THR  28  -3.411  -3.766   8.433
  176    HG1  THR  28           HG1      THR  28  -4.217  -6.349   9.275
  177   HG21  THR  28          HG21      THR  28  -5.564  -5.654   7.522
  178   HG22  THR  28          HG22      THR  28  -5.351  -3.980   7.019
  179   HG23  THR  28          HG23      THR  28  -5.794  -4.351   8.684
  180    H    HIS  29           HN       HIS  29  -4.050  -5.674   4.753
  181    HA   HIS  29           HA       HIS  29  -4.893  -8.415   5.408
  182    HB2  HIS  29           HB2      HIS  29  -6.123  -6.278   3.732
  183    HB3  HIS  29           HB1      HIS  29  -6.408  -7.956   3.289
  184    HD1  HIS  29           HD1      HIS  29  -8.949  -7.237   3.892
  185    HD2  HIS  29           HD2      HIS  29  -6.306  -7.583   7.079
  186    HE1  HIS  29           HE1      HIS  29 -10.383  -7.411   5.942
  187    HE2  HIS  29           HE2      HIS  29  -8.764  -7.413   7.864
  188    H    CYS  30           HN       CYS  30  -2.815  -6.621   3.375
  189    HA   CYS  30           HA       CYS  30  -1.942  -9.079   2.129
  190    HB2  CYS  30           HB2      CYS  30  -2.262  -8.504  -0.106
  191    HB3  CYS  30           HB1      CYS  30  -3.744  -7.916   0.638
  192    H    ALA  31           HN       ALA  31  -0.174  -7.973   0.292
  193    HA   ALA  31           HA       ALA  31   1.677  -6.612   2.101
  194    HB1  ALA  31           HB1      ALA  31   2.439  -8.783   1.270
  195    HB2  ALA  31           HB2      ALA  31   3.468  -7.472   0.692
  196    HB3  ALA  31           HB3      ALA  31   2.278  -8.201  -0.387
  197    H    ALA  32           HN       ALA  32   1.825  -4.501   1.793
  198    HA   ALA  32           HA       ALA  32   2.222  -3.405  -0.842
  199    HB1  ALA  32           HB1      ALA  32  -0.243  -3.519  -0.722
  200    HB2  ALA  32           HB2      ALA  32   0.351  -1.859  -0.804
  201    HB3  ALA  32           HB3      ALA  32  -0.199  -2.524   0.734
  202    H    ALA  33           HN       ALA  33   3.146  -1.367  -0.788
  203    HA   ALA  33           HA       ALA  33   3.665  -0.211   1.869
  204    HB1  ALA  33           HB1      ALA  33   5.993   0.111   1.308
  205    HB2  ALA  33           HB2      ALA  33   5.742  -0.625  -0.275
  206    HB3  ALA  33           HB3      ALA  33   5.579  -1.599   1.188
  207    H    PHE  34           HN       PHE  34   2.804   1.737   1.819
  208    HA   PHE  34           HA       PHE  34   3.491   3.598  -0.280
  209    HB2  PHE  34           HB2      PHE  34   1.158   4.143  -0.851
  210    HB3  PHE  34           HB1      PHE  34   1.538   2.475  -1.263
  211    HD1  PHE  34           HD2      PHE  34   0.603   0.628   0.055
  212    HD2  PHE  34           HD1      PHE  34  -0.469   4.675   0.823
  213    HE1  PHE  34           HE2      PHE  34  -1.335  -0.138   1.360
  214    HE2  PHE  34           HE1      PHE  34  -2.408   3.914   2.134
  215    HZ   PHE  34           HZ       PHE  34  -2.863   1.516   2.380
  216    H    HIS  35           HN       HIS  35   2.710   5.805   0.269
  217    HA   HIS  35           HA       HIS  35   2.313   6.115   3.154
  218    HB2  HIS  35           HB2      HIS  35   2.719   8.304   1.102
  219    HB3  HIS  35           HB1      HIS  35   2.775   8.477   2.850
  220    HD2  HIS  35           HD2      HIS  35   4.930   6.221   3.620
  221    HE1  HIS  35           HE1      HIS  35   7.365   8.118   0.718
  222    HE2  HIS  35           HE2      HIS  35   7.358   6.726   2.848
  223    H    TRP  36           HN       TRP  36   0.433   6.969   3.984
  224    HA   TRP  36           HA       TRP  36  -1.922   6.260   2.799
  225    HB2  TRP  36           HB2      TRP  36  -1.575   6.844   5.207
  226    HB3  TRP  36           HB1      TRP  36  -1.636   8.543   4.756
  227    HD1  TRP  36           HD1      TRP  36  -3.933   9.602   5.034
  228    HE1  TRP  36           HE1      TRP  36  -6.360   8.759   5.109
  229    HE3  TRP  36           HE3      TRP  36  -3.109   4.650   4.075
  230    HZ2  TRP  36           HZ2      TRP  36  -7.748   6.329   4.780
  231    HZ3  TRP  36           HZ3      TRP  36  -5.043   3.134   3.968
  232    HH2  TRP  36           HH2      TRP  36  -7.313   3.958   4.315
  233    H    ARG  37           HN       ARG  37  -0.562   9.550   2.853
  234    HA   ARG  37           HA       ARG  37  -2.678  10.815   1.509
  235    HB2  ARG  37           HB2      ARG  37   0.242  11.561   1.627
  236    HB3  ARG  37           HB1      ARG  37  -1.033  12.615   1.041
  237    HG2  ARG  37           HG2      ARG  37  -2.076  12.565   3.258
  238    HG3  ARG  37           HG1      ARG  37  -0.758  11.536   3.836
  239    HD2  ARG  37           HD2      ARG  37   0.854  13.259   3.367
  240    HD3  ARG  37           HD1      ARG  37  -0.384  14.269   2.628
  241    HE   ARG  37           HE       ARG  37  -1.002  13.638   5.340
  242   HH11  ARG  37          HH11      ARG  37   0.947  15.686   3.289
  243   HH12  ARG  37          HH12      ARG  37   1.061  16.971   4.449
  244   HH21  ARG  37          HH21      ARG  37  -0.844  15.319   6.892
  245   HH22  ARG  37          HH22      ARG  37   0.040  16.761   6.507
  246    H    CYS  38           HN       CYS  38   0.091   9.082   0.302
  247    HA   CYS  38           HA       CYS  38   0.034  10.142  -2.337
  248    HB2  CYS  38           HB2      CYS  38   1.257   7.528  -1.463
  249    HB3  CYS  38           HB1      CYS  38   1.768   8.581  -2.784
  250    H    HIS  39           HN       HIS  39  -1.713   7.693  -0.709
  251    HA   HIS  39           HA       HIS  39  -2.720   6.627  -3.250
  252    HB2  HIS  39           HB2      HIS  39  -2.265   5.481  -0.601
  253    HB3  HIS  39           HB1      HIS  39  -3.844   5.084  -1.267
  254    HD1  HIS  39           HD1      HIS  39  -3.764   2.906  -2.381
  255    HD2  HIS  39           HD2      HIS  39  -0.232   5.020  -2.916
  256    HE1  HIS  39           HE1      HIS  39  -2.267   1.384  -3.707
  257    HE2  HIS  39           HE2      HIS  39  -0.251   2.804  -4.246
  258    H    PHE  40           HN       PHE  40  -3.750   8.024  -0.172
  259    HA   PHE  40           HA       PHE  40  -6.468   8.306  -1.274
  260    HB2  PHE  40           HB2      PHE  40  -5.562   8.012   1.598
  261    HB3  PHE  40           HB1      PHE  40  -7.216   8.370   1.116
  262    HD1  PHE  40           HD1      PHE  40  -4.556   5.819   1.037
  263    HD2  PHE  40           HD2      PHE  40  -8.665   6.667   0.327
  264    HE1  PHE  40           HE1      PHE  40  -5.015   3.410   0.837
  265    HE2  PHE  40           HE2      PHE  40  -9.130   4.260   0.126
  266    HZ   PHE  40           HZ       PHE  40  -7.304   2.627   0.381
  267    HA   PRO  41           HA       PRO  41  -6.168  12.721  -1.311
  268    HB2  PRO  41           HB2      PRO  41  -8.697  13.144  -0.109
  269    HB3  PRO  41           HB1      PRO  41  -8.330  13.119  -1.833
  270    HG2  PRO  41           HG2      PRO  41  -9.447  10.984  -0.102
  271    HG3  PRO  41           HG1      PRO  41  -9.719  11.298  -1.825
  272    HD2  PRO  41           HD2      PRO  41  -8.188   9.265  -0.998
  273    HD3  PRO  41           HD1      PRO  41  -7.782  10.196  -2.458
  274    H    ALA  42           HN       ALA  42  -5.824  14.447   0.042
  275    HA   ALA  42           HA       ALA  42  -4.609  13.771   2.483
  276    HB1  ALA  42           HB1      ALA  42  -5.294  16.517   1.460
  277    HB2  ALA  42           HB2      ALA  42  -3.854  15.598   1.030
  278    HB3  ALA  42           HB3      ALA  42  -4.100  16.124   2.695
  279    H    GLY  43           HN       GLY  43  -7.855  14.613   1.803
  280    HA2  GLY  43           HA2      GLY  43  -8.385  15.445   4.554
  281    HA3  GLY  43           HA1      GLY  43  -9.542  15.433   3.231
  282    H    THR  44           HN       THR  44  -7.646  12.613   3.567
  283    HA   THR  44           HA       THR  44  -9.956  11.194   4.711
  284    HB   THR  44           HB       THR  44  -7.623   9.972   3.229
  285    HG1  THR  44           HG1      THR  44  -8.557  11.100   1.646
  286   HG21  THR  44          HG21      THR  44 -10.394   8.932   3.840
  287   HG22  THR  44          HG22      THR  44  -8.903   8.424   4.632
  288   HG23  THR  44          HG23      THR  44  -9.153   8.082   2.921
  289    H    SER  45           HN       SER  45  -9.773  10.205   6.646
  290    HA   SER  45           HA       SER  45  -7.261  10.456   8.089
  291    HB2  SER  45           HB2      SER  45  -9.899   9.340   9.068
  292    HB3  SER  45           HB1      SER  45  -8.544   9.886  10.054
  293    HG   SER  45           HG       SER  45  -9.302  11.856   8.392
  294    H    ARG  46           HN       ARG  46  -5.930   8.786   8.585
  295    HA   ARG  46           HA       ARG  46  -6.417   6.282   7.252
  296    HB2  ARG  46           HB2      ARG  46  -4.170   5.684   7.962
  297    HB3  ARG  46           HB1      ARG  46  -4.179   7.278   7.238
  298    HG2  ARG  46           HG2      ARG  46  -3.500   8.279   9.121
  299    HG3  ARG  46           HG1      ARG  46  -4.502   7.255  10.152
  300    HD2  ARG  46           HD2      ARG  46  -1.909   6.426   8.852
  301    HD3  ARG  46           HD1      ARG  46  -2.097   6.902  10.541
  302    HE   ARG  46           HE       ARG  46  -3.902   4.892  10.227
  303   HH11  ARG  46          HH11      ARG  46  -0.451   5.182   9.703
  304   HH12  ARG  46          HH12      ARG  46  -0.147   3.492   9.962
  305   HH21  ARG  46          HH21      ARG  46  -3.513   2.679  10.553
  306   HH22  ARG  46          HH22      ARG  46  -1.890   2.064  10.456
  307    HA   PRO  47           HA       PRO  47  -8.211   4.322  10.830
  308    HB2  PRO  47           HB2      PRO  47  -8.270   1.801   9.839
  309    HB3  PRO  47           HB1      PRO  47  -9.407   3.054   9.328
  310    HG2  PRO  47           HG2      PRO  47  -6.934   2.074   7.969
  311    HG3  PRO  47           HG1      PRO  47  -8.513   2.468   7.268
  312    HD2  PRO  47           HD2      PRO  47  -6.380   4.152   7.170
  313    HD3  PRO  47           HD1      PRO  47  -8.062   4.719   7.208
  314    H    GLY  48           HN       GLY  48  -7.491   3.189  12.576
  315    HA2  GLY  48           HA2      GLY  48  -4.671   2.408  12.573
  316    HA3  GLY  48           HA1      GLY  48  -5.691   2.625  13.991
  317    H    THR  49           HN       THR  49  -7.864   1.067  13.231
  318    HA   THR  49           HA       THR  49  -6.703  -1.612  13.395
  319    HB   THR  49           HB       THR  49  -9.169  -2.196  13.967
  320    HG1  THR  49           HG1      THR  49  -9.890  -0.024  13.333
  321   HG21  THR  49          HG21      THR  49  -8.809  -1.635  16.326
  322   HG22  THR  49          HG22      THR  49  -7.507  -0.538  15.868
  323   HG23  THR  49          HG23      THR  49  -7.337  -2.271  15.590
  324    H    GLY  50           HN       GLY  50  -6.226  -1.721  11.126
  325    HA2  GLY  50           HA2      GLY  50  -7.170  -3.221   9.418
  326    HA3  GLY  50           HA1      GLY  50  -8.649  -2.286   9.538
  327    H    LEU  51           HN       LEU  51  -5.176  -1.687   8.935
  328    HA   LEU  51           HA       LEU  51  -5.769   0.478   7.135
  329    HB2  LEU  51           HB2      LEU  51  -3.635   0.023   8.600
  330    HB3  LEU  51           HB1      LEU  51  -3.131  -0.950   7.236
  331    HG   LEU  51           HG       LEU  51  -2.140   1.296   7.197
  332   HD11  LEU  51          HD11      LEU  51  -2.475   0.160   5.082
  333   HD12  LEU  51          HD12      LEU  51  -2.701   1.898   4.900
  334   HD13  LEU  51          HD13      LEU  51  -4.102   0.831   4.963
  335   HD21  LEU  51          HD21      LEU  51  -4.962   2.292   6.863
  336   HD22  LEU  51          HD22      LEU  51  -3.490   3.262   6.799
  337   HD23  LEU  51          HD23      LEU  51  -3.972   2.485   8.309
  338    H    ARG  52           HN       ARG  52  -6.310   0.270   5.051
  339    HA   ARG  52           HA       ARG  52  -5.752  -2.303   3.731
  340    HB2  ARG  52           HB2      ARG  52  -8.294  -0.679   3.529
  341    HB3  ARG  52           HB1      ARG  52  -7.964  -2.176   2.672
  342    HG2  ARG  52           HG2      ARG  52  -7.933  -3.405   4.749
  343    HG3  ARG  52           HG1      ARG  52  -8.128  -1.910   5.668
  344    HD2  ARG  52           HD2      ARG  52 -10.110  -3.066   3.708
  345    HD3  ARG  52           HD1      ARG  52 -10.248  -3.104   5.464
  346    HE   ARG  52           HE       ARG  52 -10.000  -0.452   4.860
  347   HH11  ARG  52          HH11      ARG  52 -12.178  -3.012   3.902
  348   HH12  ARG  52          HH12      ARG  52 -13.512  -1.945   3.599
  349   HH21  ARG  52          HH21      ARG  52 -11.764   0.964   4.486
  350   HH22  ARG  52          HH22      ARG  52 -13.276   0.316   3.940
  351    H    CYS  53           HN       CYS  53  -4.840  -2.150   1.791
  352    HA   CYS  53           HA       CYS  53  -4.254   0.369   0.592
  353    HB2  CYS  53           HB2      CYS  53  -3.106  -0.875  -1.092
  354    HB3  CYS  53           HB1      CYS  53  -2.838  -1.735   0.424
  355    H    ARG  54           HN       ARG  54  -4.717   0.300  -2.042
  356    HA   ARG  54           HA       ARG  54  -7.407   1.106  -2.160
  357    HB2  ARG  54           HB2      ARG  54  -5.632   1.984  -3.637
  358    HB3  ARG  54           HB1      ARG  54  -5.557   0.431  -4.452
  359    HG2  ARG  54           HG2      ARG  54  -6.824   2.019  -5.762
  360    HG3  ARG  54           HG1      ARG  54  -7.866   0.712  -5.203
  361    HD2  ARG  54           HD2      ARG  54  -8.746   2.130  -3.441
  362    HD3  ARG  54           HD1      ARG  54  -7.650   3.428  -3.908
  363    HE   ARG  54           HE       ARG  54  -9.135   2.774  -6.160
  364   HH11  ARG  54          HH11      ARG  54  -9.761   4.044  -2.956
  365   HH12  ARG  54          HH12      ARG  54 -11.126   4.984  -3.460
  366   HH21  ARG  54          HH21      ARG  54 -10.938   4.003  -6.816
  367   HH22  ARG  54          HH22      ARG  54 -11.804   4.954  -5.652
  368    H    SER  55           HN       SER  55  -5.814  -1.858  -3.255
  369    HA   SER  55           HA       SER  55  -8.070  -2.931  -4.573
  370    HB2  SER  55           HB2      SER  55  -5.767  -3.699  -5.000
  371    HB3  SER  55           HB1      SER  55  -5.700  -4.382  -3.378
  372    HG   SER  55           HG       SER  55  -6.558  -5.546  -5.558
  373    H    CYS  56           HN       CYS  56  -6.790  -3.415  -1.284
  374    HA   CYS  56           HA       CYS  56  -8.767  -5.342  -0.595
  375    HB2  CYS  56           HB2      CYS  56  -6.929  -3.708   1.156
  376    HB3  CYS  56           HB1      CYS  56  -7.956  -5.013   1.739
  377    H    SER  57           HN       SER  57  -8.585  -1.841  -0.291
  378    HA   SER  57           HA       SER  57 -10.928  -1.738   1.405
  379    HB2  SER  57           HB2      SER  57 -10.693   0.744   1.126
  380    HB3  SER  57           HB1      SER  57  -9.255  -0.042   1.773
  381    HG   SER  57           HG       SER  57  -8.219   0.242  -0.112
  382    H    GLY  58           HN       GLY  58 -10.342  -2.067  -1.875
  383    HA2  GLY  58           HA2      GLY  58 -13.013  -0.998  -2.532
  384    HA3  GLY  58           HA1      GLY  58 -11.669  -1.044  -3.664
  385    H    ASP  59           HN       ASP  59 -13.774  -3.111  -1.724
  386    HA   ASP  59           HA       ASP  59 -13.185  -5.386  -3.430
  387    HB2  ASP  59           HB2      ASP  59 -14.574  -6.673  -1.887
  388    HB3  ASP  59           HB1      ASP  59 -13.384  -5.735  -0.993
  389    H    VAL  60           HN       VAL  60 -14.512  -6.190  -4.934
  390    HA   VAL  60           HA       VAL  60 -17.218  -5.144  -5.193
  391    HB   VAL  60           HB       VAL  60 -15.837  -3.625  -6.555
  392   HG11  VAL  60          HG11      VAL  60 -15.028  -6.109  -8.060
  393   HG12  VAL  60          HG12      VAL  60 -13.982  -5.092  -7.069
  394   HG13  VAL  60          HG13      VAL  60 -14.681  -4.452  -8.556
  395   HG21  VAL  60          HG21      VAL  60 -17.548  -5.486  -8.195
  396   HG22  VAL  60          HG22      VAL  60 -17.043  -3.868  -8.679
  397   HG23  VAL  60          HG23      VAL  60 -18.102  -4.081  -7.285
  398    H    THR  61           HN       THR  61 -18.615  -6.556  -6.205
  399    HA   THR  61           HA       THR  61 -17.596  -9.259  -6.608
  400    HB   THR  61           HB       THR  61 -20.477  -8.351  -6.698
  401    HG1  THR  61           HG1      THR  61 -18.922  -8.136  -4.636
  402   HG21  THR  61          HG21      THR  61 -20.067 -10.576  -7.605
  403   HG22  THR  61          HG22      THR  61 -20.912 -10.696  -6.061
  404   HG23  THR  61          HG23      THR  61 -19.182 -11.026  -6.148
  405    HA   PRO  62           HA       PRO  62 -17.602  -8.042 -10.951
  406    HB2  PRO  62           HB2      PRO  62 -16.096 -10.094 -11.846
  407    HB3  PRO  62           HB1      PRO  62 -15.400  -8.703 -11.009
  408    HG2  PRO  62           HG2      PRO  62 -16.029 -11.429  -9.959
  409    HG3  PRO  62           HG1      PRO  62 -14.619 -10.402  -9.640
  410    HD2  PRO  62           HD2      PRO  62 -16.733 -10.648  -7.925
  411    HD3  PRO  62           HD1      PRO  62 -15.708  -9.203  -8.019
  412    H    ALA  63           HN       ALA  63 -18.851  -8.606 -12.646
  413    HA   ALA  63           HA       ALA  63 -20.837 -10.624 -12.246
  414    HB1  ALA  63           HB1      ALA  63 -21.720  -9.885 -14.404
  415    HB2  ALA  63           HB2      ALA  63 -20.269  -8.917 -14.669
  416    HB3  ALA  63           HB3      ALA  63 -21.372  -8.510 -13.356
  417    HA   PRO  64           HA       PRO  64 -18.622 -13.960 -14.195
  418    HB2  PRO  64           HB2      PRO  64 -20.719 -15.647 -14.526
  419    HB3  PRO  64           HB1      PRO  64 -19.961 -15.363 -12.955
  420    HG2  PRO  64           HG2      PRO  64 -22.465 -14.178 -14.093
  421    HG3  PRO  64           HG1      PRO  64 -22.161 -14.797 -12.460
  422    HD2  PRO  64           HD2      PRO  64 -22.118 -12.155 -13.045
  423    HD3  PRO  64           HD1      PRO  64 -21.085 -12.873 -11.793
  424    H    VAL  65           HN       VAL  65 -18.579 -12.206 -16.001
  425    HA   VAL  65           HA       VAL  65 -19.881 -13.347 -18.371
  426    HB   VAL  65           HB       VAL  65 -21.126 -11.329 -17.706
  427   HG11  VAL  65          HG11      VAL  65 -19.351 -10.137 -16.548
  428   HG12  VAL  65          HG12      VAL  65 -20.077  -9.123 -17.795
  429   HG13  VAL  65          HG13      VAL  65 -18.510  -9.881 -18.077
  430   HG21  VAL  65          HG21      VAL  65 -21.008 -10.128 -19.838
  431   HG22  VAL  65          HG22      VAL  65 -20.988 -11.877 -20.067
  432   HG23  VAL  65          HG23      VAL  65 -19.494 -10.952 -20.211
  433    H    GLU  66           HN       GLU  66 -18.694 -13.096 -20.313
  434    HA   GLU  66           HA       GLU  66 -15.832 -12.798 -19.806
  435    HB2  GLU  66           HB2      GLU  66 -15.571 -13.994 -21.994
  436    HB3  GLU  66           HB1      GLU  66 -16.370 -14.923 -20.741
  437    HG2  GLU  66           HG2      GLU  66 -17.822 -13.481 -22.947
  438    HG3  GLU  66           HG1      GLU  66 -17.338 -15.169 -23.025
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   2.511 -23.791 -10.689
    2    H2   GLY   1           HT2      GLY   1   3.366 -25.118 -10.078
    3    H3   GLY   1           HT3      GLY   1   4.192 -23.717 -10.531
    4    HA2  GLY   1           HA1      GLY   1   2.272 -23.953  -8.288
    5    HA3  GLY   1           HA2      GLY   1   4.021 -23.850  -8.137
    6    H    ALA   2           HN       ALA   2   3.366 -22.019  -6.737
    7    HA   ALA   2           HA       ALA   2   3.169 -19.818  -6.267
    8    HB1  ALA   2           HB1      ALA   2   4.254 -19.480  -9.057
    9    HB2  ALA   2           HB2      ALA   2   5.205 -19.664  -7.585
   10    HB3  ALA   2           HB3      ALA   2   4.201 -18.232  -7.813
   11    H    MET   3           HN       MET   3   0.894 -19.947  -6.116
   12    HA   MET   3           HA       MET   3  -0.838 -19.412  -8.299
   13    HB2  MET   3           HB2      MET   3  -1.557 -20.519  -6.195
   14    HB3  MET   3           HB1      MET   3  -1.331 -19.000  -5.340
   15    HG2  MET   3           HG2      MET   3  -3.074 -17.968  -6.682
   16    HG3  MET   3           HG1      MET   3  -3.283 -19.469  -7.584
   17    HE1  MET   3           HE1      MET   3  -5.713 -17.957  -6.186
   18    HE2  MET   3           HE2      MET   3  -6.566 -19.323  -5.468
   19    HE3  MET   3           HE3      MET   3  -5.874 -19.467  -7.084
   20    H    GLU   4           HN       GLU   4   0.971 -17.473  -6.092
   21    HA   GLU   4           HA       GLU   4   1.511 -15.292  -6.015
   22    HB2  GLU   4           HB2      GLU   4   0.576 -15.413  -8.878
   23    HB3  GLU   4           HB1      GLU   4   1.362 -14.007  -8.172
   24    HG2  GLU   4           HG2      GLU   4   3.360 -15.272  -7.766
   25    HG3  GLU   4           HG1      GLU   4   2.572 -16.757  -8.301
   26    H    GLY   5           HN       GLY   5  -0.931 -14.280  -8.276
   27    HA2  GLY   5           HA2      GLY   5  -2.890 -13.125  -7.985
   28    HA3  GLY   5           HA1      GLY   5  -2.970 -13.779  -6.357
   29    H    GLN   6           HN       GLN   6  -3.753 -11.764  -5.665
   30    HA   GLN   6           HA       GLN   6  -2.455  -9.294  -6.082
   31    HB2  GLN   6           HB2      GLN   6  -4.814  -9.444  -5.547
   32    HB3  GLN   6           HB1      GLN   6  -4.450 -10.194  -4.001
   33    HG2  GLN   6           HG2      GLN   6  -3.294  -8.095  -3.334
   34    HG3  GLN   6           HG1      GLN   6  -3.869  -7.366  -4.833
   35   HE21  GLN   6          HE21      GLN   6  -4.430  -6.730  -2.022
   36   HE22  GLN   6          HE22      GLN   6  -6.152  -6.786  -1.858
   37    H    GLN   7           HN       GLN   7  -1.974 -11.825  -3.745
   38    HA   GLN   7           HA       GLN   7  -0.672 -10.135  -1.813
   39    HB2  GLN   7           HB2      GLN   7  -0.217 -12.217  -0.596
   40    HB3  GLN   7           HB1      GLN   7  -1.904 -12.092  -1.062
   41    HG2  GLN   7           HG2      GLN   7  -1.482 -14.275  -1.562
   42    HG3  GLN   7           HG1      GLN   7  -1.133 -13.518  -3.113
   43   HE21  GLN   7          HE21      GLN   7   0.245 -15.117  -3.785
   44   HE22  GLN   7          HE22      GLN   7   1.807 -15.375  -3.080
   45    H    ASN   8           HN       ASN   8   0.303 -11.377  -4.736
   46    HA   ASN   8           HA       ASN   8   3.008 -12.051  -4.004
   47    HB2  ASN   8           HB2      ASN   8   1.913 -13.160  -5.910
   48    HB3  ASN   8           HB1      ASN   8   1.793 -11.613  -6.742
   49   HD21  ASN   8          HD21      ASN   8   3.552 -10.791  -7.773
   50   HD22  ASN   8          HD22      ASN   8   5.048 -11.645  -7.944
   51    H    LEU   9           HN       LEU   9   3.831 -10.243  -3.015
   52    HA   LEU   9           HA       LEU   9   3.895  -7.715  -4.426
   53    HB2  LEU   9           HB2      LEU   9   3.599  -7.809  -1.977
   54    HB3  LEU   9           HB1      LEU   9   5.181  -8.547  -1.821
   55    HG   LEU   9           HG       LEU   9   6.226  -6.498  -2.696
   56   HD11  LEU   9          HD11      LEU   9   3.419  -5.393  -2.677
   57   HD12  LEU   9          HD12      LEU   9   4.404  -5.709  -4.107
   58   HD13  LEU   9          HD13      LEU   9   4.892  -4.463  -2.957
   59   HD21  LEU   9          HD21      LEU   9   5.797  -5.082  -0.751
   60   HD22  LEU   9          HD22      LEU   9   5.947  -6.778  -0.289
   61   HD23  LEU   9          HD23      LEU   9   4.354  -6.025  -0.379
   62    H    ALA  10           HN       ALA  10   5.423  -7.134  -5.779
   63    HA   ALA  10           HA       ALA  10   7.541  -8.804  -6.567
   64    HB1  ALA  10           HB1      ALA  10   7.148  -5.853  -7.062
   65    HB2  ALA  10           HB2      ALA  10   6.494  -7.163  -8.044
   66    HB3  ALA  10           HB3      ALA  10   8.237  -6.913  -7.955
   67    HA   PRO  11           HA       PRO  11  10.933  -7.725  -3.881
   68    HB2  PRO  11           HB2      PRO  11  12.743  -7.551  -6.189
   69    HB3  PRO  11           HB1      PRO  11  12.736  -8.709  -4.857
   70    HG2  PRO  11           HG2      PRO  11  12.022  -9.416  -7.350
   71    HG3  PRO  11           HG1      PRO  11  11.256 -10.124  -5.916
   72    HD2  PRO  11           HD2      PRO  11  10.248  -7.960  -7.728
   73    HD3  PRO  11           HD1      PRO  11   9.375  -9.339  -7.025
   74    H    GLY  12           HN       GLY  12   9.544  -5.531  -4.177
   75    HA2  GLY  12           HA2      GLY  12  11.507  -3.453  -4.074
   76    HA3  GLY  12           HA1      GLY  12  10.460  -3.311  -5.482
   77    H    ALA  13           HN       ALA  13  10.116  -4.061  -2.027
   78    HA   ALA  13           HA       ALA  13   7.481  -2.994  -1.880
   79    HB1  ALA  13           HB1      ALA  13   8.239  -4.760  -0.372
   80    HB2  ALA  13           HB2      ALA  13   7.690  -3.347   0.531
   81    HB3  ALA  13           HB3      ALA  13   9.416  -3.657   0.340
   82    H    ARG  14           HN       ARG  14   7.602  -0.905  -2.670
   83    HA   ARG  14           HA       ARG  14   8.490   1.080  -0.749
   84    HB2  ARG  14           HB2      ARG  14  10.440   0.713  -2.245
   85    HB3  ARG  14           HB1      ARG  14   9.430   1.108  -3.628
   86    HG2  ARG  14           HG2      ARG  14   9.099   3.366  -2.729
   87    HG3  ARG  14           HG1      ARG  14  10.144   2.962  -1.365
   88    HD2  ARG  14           HD2      ARG  14  11.399   4.189  -3.032
   89    HD3  ARG  14           HD1      ARG  14  11.989   2.533  -2.932
   90    HE   ARG  14           HE       ARG  14  10.100   2.548  -4.943
   91   HH11  ARG  14          HH11      ARG  14  13.146   4.133  -4.287
   92   HH12  ARG  14          HH12      ARG  14  13.569   4.300  -5.961
   93   HH21  ARG  14          HH21      ARG  14  10.659   2.748  -7.153
   94   HH22  ARG  14          HH22      ARG  14  12.157   3.505  -7.592
   95    H    CYS  15           HN       CYS  15   7.432   3.077  -1.015
   96    HA   CYS  15           HA       CYS  15   4.852   2.958  -2.174
   97    HB2  CYS  15           HB2      CYS  15   5.365   4.302  -0.195
   98    HB3  CYS  15           HB1      CYS  15   6.479   5.284  -1.131
   99    H    GLY  16           HN       GLY  16   4.637   2.842  -4.329
  100    HA2  GLY  16           HA2      GLY  16   6.700   3.784  -6.083
  101    HA3  GLY  16           HA1      GLY  16   5.219   2.970  -6.555
  102    H    VAL  17           HN       VAL  17   3.975   5.287  -4.779
  103    HA   VAL  17           HA       VAL  17   3.276   6.913  -7.008
  104    HB   VAL  17           HB       VAL  17   2.776   7.345  -4.061
  105   HG11  VAL  17          HG11      VAL  17   1.549   8.734  -6.443
  106   HG12  VAL  17          HG12      VAL  17   2.661   9.456  -5.279
  107   HG13  VAL  17          HG13      VAL  17   1.055   8.940  -4.762
  108   HG21  VAL  17          HG21      VAL  17   0.525   6.535  -4.552
  109   HG22  VAL  17          HG22      VAL  17   1.738   5.320  -4.951
  110   HG23  VAL  17          HG23      VAL  17   0.984   6.266  -6.233
  111    H    CYS  18           HN       CYS  18   5.485   7.310  -4.274
  112    HA   CYS  18           HA       CYS  18   6.289   9.906  -5.403
  113    HB2  CYS  18           HB2      CYS  18   7.036  10.534  -3.178
  114    HB3  CYS  18           HB1      CYS  18   5.356  10.010  -3.114
  115    H    GLY  19           HN       GLY  19   7.327   6.716  -4.645
  116    HA2  GLY  19           HA2      GLY  19   9.271   5.681  -5.410
  117    HA3  GLY  19           HA1      GLY  19   9.919   7.260  -5.833
  118    H    ASP  20           HN       ASP  20   8.636   7.192  -2.723
  119    HA   ASP  20           HA       ASP  20  11.350   7.004  -1.597
  120    HB2  ASP  20           HB2      ASP  20  10.193   9.217  -1.426
  121    HB3  ASP  20           HB1      ASP  20   8.945   8.442  -0.456
  122    H    GLY  21           HN       GLY  21  11.672   5.852   0.333
  123    HA2  GLY  21           HA2      GLY  21   9.463   4.002   0.999
  124    HA3  GLY  21           HA1      GLY  21  11.141   3.492   0.907
  125    H    THR  22           HN       THR  22  10.623   6.590   2.246
  126    HA   THR  22           HA       THR  22  11.513   5.677   4.841
  127    HB   THR  22           HB       THR  22  10.654   8.481   4.142
  128    HG1  THR  22           HG1      THR  22  12.139   8.084   2.584
  129   HG21  THR  22          HG21      THR  22  11.113   8.032   6.501
  130   HG22  THR  22          HG22      THR  22  12.345   9.092   5.815
  131   HG23  THR  22          HG23      THR  22  12.698   7.385   6.078
  132    H    ASP  23           HN       ASP  23  10.165   4.990   6.358
  133    HA   ASP  23           HA       ASP  23   8.336   4.683   7.661
  134    HB2  ASP  23           HB2      ASP  23   7.890   7.555   6.856
  135    HB3  ASP  23           HB1      ASP  23   6.822   6.713   7.972
  136    H    VAL  24           HN       VAL  24   7.894   3.236   5.671
  137    HA   VAL  24           HA       VAL  24   5.515   4.041   4.206
  138    HB   VAL  24           HB       VAL  24   5.709   1.770   3.132
  139   HG11  VAL  24          HG11      VAL  24   8.115   3.574   2.925
  140   HG12  VAL  24          HG12      VAL  24   6.588   3.776   2.065
  141   HG13  VAL  24          HG13      VAL  24   7.610   2.378   1.730
  142   HG21  VAL  24          HG21      VAL  24   6.940   0.639   4.907
  143   HG22  VAL  24          HG22      VAL  24   8.324   1.697   4.633
  144   HG23  VAL  24          HG23      VAL  24   7.821   0.560   3.383
  145    H    LEU  25           HN       LEU  25   3.522   3.209   4.459
  146    HA   LEU  25           HA       LEU  25   3.019   1.737   6.919
  147    HB2  LEU  25           HB2      LEU  25   1.107   2.982   4.935
  148    HB3  LEU  25           HB1      LEU  25   0.650   2.246   6.460
  149    HG   LEU  25           HG       LEU  25   2.367   4.714   6.156
  150   HD11  LEU  25          HD11      LEU  25   0.066   5.141   5.535
  151   HD12  LEU  25          HD12      LEU  25   0.432   5.891   7.089
  152   HD13  LEU  25          HD13      LEU  25  -0.499   4.394   7.028
  153   HD21  LEU  25          HD21      LEU  25   2.957   3.455   8.144
  154   HD22  LEU  25          HD22      LEU  25   1.260   3.363   8.616
  155   HD23  LEU  25          HD23      LEU  25   2.084   4.922   8.586
  156    H    ARG  26           HN       ARG  26   1.925  -0.234   6.963
  157    HA   ARG  26           HA       ARG  26   2.087  -1.725   4.433
  158    HB2  ARG  26           HB2      ARG  26   2.870  -2.364   7.188
  159    HB3  ARG  26           HB1      ARG  26   1.946  -3.637   6.400
  160    HG2  ARG  26           HG2      ARG  26   4.301  -4.017   6.086
  161    HG3  ARG  26           HG1      ARG  26   3.552  -3.624   4.539
  162    HD2  ARG  26           HD2      ARG  26   5.607  -2.440   4.646
  163    HD3  ARG  26           HD1      ARG  26   4.316  -1.263   4.875
  164    HE   ARG  26           HE       ARG  26   4.831  -1.428   7.308
  165   HH11  ARG  26          HH11      ARG  26   7.254  -2.342   4.953
  166   HH12  ARG  26          HH12      ARG  26   8.591  -1.928   5.977
  167   HH21  ARG  26          HH21      ARG  26   6.604  -0.907   8.674
  168   HH22  ARG  26          HH22      ARG  26   8.224  -1.123   8.086
  169    H    CYS  27           HN       CYS  27   0.400  -2.915   3.737
  170    HA   CYS  27           HA       CYS  27  -2.212  -2.336   4.727
  171    HB2  CYS  27           HB2      CYS  27  -1.569  -2.941   2.323
  172    HB3  CYS  27           HB1      CYS  27  -1.470  -4.620   2.867
  173    H    THR  28           HN       THR  28  -3.316  -3.361   6.315
  174    HA   THR  28           HA       THR  28  -2.070  -5.619   7.638
  175    HB   THR  28           HB       THR  28  -3.984  -5.422   9.227
  176    HG1  THR  28           HG1      THR  28  -5.666  -4.324   8.610
  177   HG21  THR  28          HG21      THR  28  -3.321  -3.264  10.175
  178   HG22  THR  28          HG22      THR  28  -2.539  -2.831   8.655
  179   HG23  THR  28          HG23      THR  28  -1.912  -4.169   9.617
  180    H    HIS  29           HN       HIS  29  -4.138  -5.199   5.086
  181    HA   HIS  29           HA       HIS  29  -5.603  -7.687   5.556
  182    HB2  HIS  29           HB2      HIS  29  -6.008  -5.429   3.604
  183    HB3  HIS  29           HB1      HIS  29  -6.854  -6.963   3.447
  184    HD1  HIS  29           HD1      HIS  29  -9.175  -6.591   4.209
  185    HD2  HIS  29           HD2      HIS  29  -6.424  -4.661   6.659
  186    HE1  HIS  29           HE1      HIS  29 -10.525  -5.549   6.054
  187    HE2  HIS  29           HE2      HIS  29  -8.824  -4.556   7.622
  188    H    CYS  30           HN       CYS  30  -3.107  -6.304   3.551
  189    HA   CYS  30           HA       CYS  30  -2.482  -8.951   2.595
  190    HB2  CYS  30           HB2      CYS  30  -2.642  -8.576   0.284
  191    HB3  CYS  30           HB1      CYS  30  -4.121  -7.872   0.925
  192    H    ALA  31           HN       ALA  31  -0.646  -8.077   0.585
  193    HA   ALA  31           HA       ALA  31   1.424  -6.967   2.330
  194    HB1  ALA  31           HB1      ALA  31   1.892  -9.195   1.460
  195    HB2  ALA  31           HB2      ALA  31   3.035  -8.017   0.818
  196    HB3  ALA  31           HB3      ALA  31   1.709  -8.599  -0.189
  197    H    ALA  32           HN       ALA  32   1.984  -4.924   2.009
  198    HA   ALA  32           HA       ALA  32   2.643  -3.851  -0.519
  199    HB1  ALA  32           HB1      ALA  32   0.200  -3.768  -0.798
  200    HB2  ALA  32           HB2      ALA  32   0.914  -2.156  -0.759
  201    HB3  ALA  32           HB3      ALA  32   0.076  -2.784   0.661
  202    H    ALA  33           HN       ALA  33   3.879  -2.046  -0.296
  203    HA   ALA  33           HA       ALA  33   3.948  -0.757   2.359
  204    HB1  ALA  33           HB1      ALA  33   5.988  -2.033   2.018
  205    HB2  ALA  33           HB2      ALA  33   6.343  -0.304   1.956
  206    HB3  ALA  33           HB3      ALA  33   6.250  -1.241   0.464
  207    H    PHE  34           HN       PHE  34   3.135   1.233   2.225
  208    HA   PHE  34           HA       PHE  34   3.800   2.976   0.013
  209    HB2  PHE  34           HB2      PHE  34   1.463   3.348  -0.659
  210    HB3  PHE  34           HB1      PHE  34   1.942   1.676  -0.923
  211    HD1  PHE  34           HD2      PHE  34   1.154  -0.088   0.659
  212    HD2  PHE  34           HD1      PHE  34  -0.316   3.905   0.793
  213    HE1  PHE  34           HE2      PHE  34  -0.780  -0.848   1.973
  214    HE2  PHE  34           HE1      PHE  34  -2.253   3.151   2.108
  215    HZ   PHE  34           HZ       PHE  34  -2.477   0.770   2.711
  216    H    HIS  35           HN       HIS  35   2.716   5.135   0.285
  217    HA   HIS  35           HA       HIS  35   2.362   5.757   3.135
  218    HB2  HIS  35           HB2      HIS  35   2.819   7.613   0.789
  219    HB3  HIS  35           HB1      HIS  35   2.670   8.113   2.465
  220    HD2  HIS  35           HD2      HIS  35   4.770   5.860   3.705
  221    HE1  HIS  35           HE1      HIS  35   7.467   7.798   1.081
  222    HE2  HIS  35           HE2      HIS  35   7.248   6.498   3.255
  223    H    TRP  36           HN       TRP  36   0.478   6.473   3.896
  224    HA   TRP  36           HA       TRP  36  -1.904   6.039   2.462
  225    HB2  TRP  36           HB2      TRP  36  -1.679   5.897   4.932
  226    HB3  TRP  36           HB1      TRP  36  -1.487   7.643   4.996
  227    HD1  TRP  36           HD1      TRP  36  -3.644   9.014   5.279
  228    HE1  TRP  36           HE1      TRP  36  -6.160   8.483   5.230
  229    HE3  TRP  36           HE3      TRP  36  -3.427   4.194   3.595
  230    HZ2  TRP  36           HZ2      TRP  36  -7.834   6.321   4.545
  231    HZ3  TRP  36           HZ3      TRP  36  -5.533   2.965   3.267
  232    HH2  TRP  36           HH2      TRP  36  -7.689   4.008   3.731
  233    H    ARG  37           HN       ARG  37   0.019   8.907   3.074
  234    HA   ARG  37           HA       ARG  37  -1.951  10.750   2.097
  235    HB2  ARG  37           HB2      ARG  37   1.003  11.131   2.587
  236    HB3  ARG  37           HB1      ARG  37  -0.154  12.417   2.279
  237    HG2  ARG  37           HG2      ARG  37  -1.314  11.929   4.337
  238    HG3  ARG  37           HG1      ARG  37  -0.265  10.539   4.631
  239    HD2  ARG  37           HD2      ARG  37   1.670  12.100   4.648
  240    HD3  ARG  37           HD1      ARG  37   0.534  13.440   4.540
  241    HE   ARG  37           HE       ARG  37  -0.397  12.380   6.704
  242   HH11  ARG  37          HH11      ARG  37   2.971  12.536   5.753
  243   HH12  ARG  37          HH12      ARG  37   3.563  12.540   7.384
  244   HH21  ARG  37          HH21      ARG  37   0.388  12.373   8.862
  245   HH22  ARG  37          HH22      ARG  37   2.098  12.446   9.148
  246    H    CYS  38           HN       CYS  38   0.400   8.748   0.606
  247    HA   CYS  38           HA       CYS  38   0.525  10.343  -1.812
  248    HB2  CYS  38           HB2      CYS  38   1.664   7.636  -1.103
  249    HB3  CYS  38           HB1      CYS  38   1.812   8.350  -2.703
  250    H    HIS  39           HN       HIS  39  -1.376   7.817  -0.486
  251    HA   HIS  39           HA       HIS  39  -2.510   7.088  -3.079
  252    HB2  HIS  39           HB2      HIS  39  -2.784   5.982  -0.298
  253    HB3  HIS  39           HB1      HIS  39  -3.945   5.562  -1.551
  254    HD1  HIS  39           HD1      HIS  39  -3.326   3.166  -1.918
  255    HD2  HIS  39           HD2      HIS  39  -0.053   5.708  -2.144
  256    HE1  HIS  39           HE1      HIS  39  -1.418   1.734  -2.706
  257    HE2  HIS  39           HE2      HIS  39   0.465   3.361  -3.092
  258    H    PHE  40           HN       PHE  40  -3.564   8.340   0.064
  259    HA   PHE  40           HA       PHE  40  -5.967   9.442  -1.238
  260    HB2  PHE  40           HB2      PHE  40  -5.556   8.565   1.632
  261    HB3  PHE  40           HB1      PHE  40  -7.008   9.350   1.026
  262    HD1  PHE  40           HD2      PHE  40  -8.524   8.163  -0.476
  263    HD2  PHE  40           HD1      PHE  40  -5.110   6.263   1.205
  264    HE1  PHE  40           HE2      PHE  40  -9.450   5.968  -1.085
  265    HE2  PHE  40           HE1      PHE  40  -6.030   4.066   0.598
  266    HZ   PHE  40           HZ       PHE  40  -8.235   3.914  -0.499
  267    HA   PRO  41           HA       PRO  41  -4.671  13.554   0.009
  268    HB2  PRO  41           HB2      PRO  41  -7.496  13.880   0.879
  269    HB3  PRO  41           HB1      PRO  41  -6.535  14.887  -0.209
  270    HG2  PRO  41           HG2      PRO  41  -8.424  13.277  -1.164
  271    HG3  PRO  41           HG1      PRO  41  -6.890  13.493  -2.026
  272    HD2  PRO  41           HD2      PRO  41  -7.804  11.212  -0.327
  273    HD3  PRO  41           HD1      PRO  41  -6.854  11.194  -1.826
  274    H    ALA  42           HN       ALA  42  -4.180  14.612   1.912
  275    HA   ALA  42           HA       ALA  42  -3.916  12.987   4.202
  276    HB1  ALA  42           HB1      ALA  42  -2.299  14.702   3.703
  277    HB2  ALA  42           HB2      ALA  42  -3.013  15.012   5.285
  278    HB3  ALA  42           HB3      ALA  42  -3.522  15.958   3.885
  279    H    GLY  43           HN       GLY  43  -6.529  14.852   3.133
  280    HA2  GLY  43           HA2      GLY  43  -7.673  15.250   5.770
  281    HA3  GLY  43           HA1      GLY  43  -8.425  15.650   4.233
  282    H    THR  44           HN       THR  44  -7.199  12.548   4.103
  283    HA   THR  44           HA       THR  44  -9.862  11.400   4.443
  284    HB   THR  44           HB       THR  44  -7.357   9.998   3.492
  285    HG1  THR  44           HG1      THR  44  -7.577  11.511   1.967
  286   HG21  THR  44          HG21      THR  44 -10.289   9.423   3.036
  287   HG22  THR  44          HG22      THR  44  -9.224   8.538   4.130
  288   HG23  THR  44          HG23      THR  44  -8.939   8.490   2.389
  289    H    SER  45           HN       SER  45 -10.357   9.850   5.961
  290    HA   SER  45           HA       SER  45  -8.545   9.691   8.221
  291    HB2  SER  45           HB2      SER  45 -10.503   8.534   9.309
  292    HB3  SER  45           HB1      SER  45 -10.848  10.169   8.744
  293    HG   SER  45           HG       SER  45 -11.776   7.712   7.805
  294    H    ARG  46           HN       ARG  46  -7.697   7.804   9.036
  295    HA   ARG  46           HA       ARG  46  -7.355   5.690   7.075
  296    HB2  ARG  46           HB2      ARG  46  -6.046   5.921   9.786
  297    HB3  ARG  46           HB1      ARG  46  -5.490   5.016   8.385
  298    HG2  ARG  46           HG2      ARG  46  -5.047   7.068   7.189
  299    HG3  ARG  46           HG1      ARG  46  -5.659   8.011   8.547
  300    HD2  ARG  46           HD2      ARG  46  -3.869   7.117   9.961
  301    HD3  ARG  46           HD1      ARG  46  -3.255   6.193   8.589
  302    HE   ARG  46           HE       ARG  46  -3.481   8.997   8.040
  303   HH11  ARG  46          HH11      ARG  46  -1.433   6.569   9.518
  304   HH12  ARG  46          HH12      ARG  46   0.027   7.473   9.268
  305   HH21  ARG  46          HH21      ARG  46  -1.558  10.181   7.719
  306   HH22  ARG  46          HH22      ARG  46  -0.044   9.520   8.251
  307    HA   PRO  47           HA       PRO  47 -10.588   3.293   8.822
  308    HB2  PRO  47           HB2      PRO  47  -9.757   0.814   7.962
  309    HB3  PRO  47           HB1      PRO  47 -10.602   1.989   6.949
  310    HG2  PRO  47           HG2      PRO  47  -7.675   1.411   7.141
  311    HG3  PRO  47           HG1      PRO  47  -8.664   1.713   5.702
  312    HD2  PRO  47           HD2      PRO  47  -7.092   3.616   6.741
  313    HD3  PRO  47           HD1      PRO  47  -8.678   4.008   6.042
  314    H    GLY  48           HN       GLY  48 -10.937   2.528  10.787
  315    HA2  GLY  48           HA2      GLY  48  -8.724   1.677  12.450
  316    HA3  GLY  48           HA1      GLY  48 -10.401   1.863  12.950
  317    H    THR  49           HN       THR  49 -10.868   0.205  10.334
  318    HA   THR  49           HA       THR  49 -10.850  -2.374  11.665
  319    HB   THR  49           HB       THR  49 -12.042  -3.089   9.517
  320    HG1  THR  49           HG1      THR  49 -12.075  -1.637   7.985
  321   HG21  THR  49          HG21      THR  49 -13.241  -2.637  11.600
  322   HG22  THR  49          HG22      THR  49 -14.167  -2.074  10.210
  323   HG23  THR  49          HG23      THR  49 -13.288  -0.918  11.210
  324    H    GLY  50           HN       GLY  50  -8.383  -1.032  10.736
  325    HA2  GLY  50           HA2      GLY  50  -6.397  -2.260  10.205
  326    HA3  GLY  50           HA1      GLY  50  -7.357  -3.259   9.123
  327    H    LEU  51           HN       LEU  51  -4.958  -1.246   8.982
  328    HA   LEU  51           HA       LEU  51  -5.715   0.764   7.162
  329    HB2  LEU  51           HB2      LEU  51  -3.540   0.449   8.558
  330    HB3  LEU  51           HB1      LEU  51  -2.994  -0.512   7.202
  331    HG   LEU  51           HG       LEU  51  -2.176   1.847   7.199
  332   HD11  LEU  51          HD11      LEU  51  -2.255   0.561   5.132
  333   HD12  LEU  51          HD12      LEU  51  -2.600   2.266   4.840
  334   HD13  LEU  51          HD13      LEU  51  -3.916   1.091   4.860
  335   HD21  LEU  51          HD21      LEU  51  -4.241   2.862   8.104
  336   HD22  LEU  51          HD22      LEU  51  -5.040   2.540   6.565
  337   HD23  LEU  51          HD23      LEU  51  -3.670   3.646   6.631
  338    H    ARG  52           HN       ARG  52  -6.275   0.618   5.093
  339    HA   ARG  52           HA       ARG  52  -5.778  -1.933   3.720
  340    HB2  ARG  52           HB2      ARG  52  -7.973   0.093   3.203
  341    HB3  ARG  52           HB1      ARG  52  -7.769  -1.434   2.361
  342    HG2  ARG  52           HG2      ARG  52  -8.098  -2.589   4.555
  343    HG3  ARG  52           HG1      ARG  52  -8.513  -1.019   5.244
  344    HD2  ARG  52           HD2      ARG  52  -9.931  -2.419   2.980
  345    HD3  ARG  52           HD1      ARG  52 -10.523  -2.237   4.629
  346    HE   ARG  52           HE       ARG  52 -10.069   0.325   3.722
  347   HH11  ARG  52          HH11      ARG  52 -12.043  -2.391   2.738
  348   HH12  ARG  52          HH12      ARG  52 -13.292  -1.402   2.054
  349   HH21  ARG  52          HH21      ARG  52 -11.718   1.631   2.809
  350   HH22  ARG  52          HH22      ARG  52 -13.107   0.880   2.092
  351    H    CYS  53           HN       CYS  53  -5.095  -1.933   1.624
  352    HA   CYS  53           HA       CYS  53  -3.769   0.480   0.697
  353    HB2  CYS  53           HB2      CYS  53  -2.633  -0.960  -0.863
  354    HB3  CYS  53           HB1      CYS  53  -2.627  -1.769   0.705
  355    H    ARG  54           HN       ARG  54  -3.839   0.195  -2.014
  356    HA   ARG  54           HA       ARG  54  -6.307   1.331  -2.693
  357    HB2  ARG  54           HB2      ARG  54  -5.535   1.106  -5.049
  358    HB3  ARG  54           HB1      ARG  54  -4.345   1.852  -3.988
  359    HG2  ARG  54           HG2      ARG  54  -3.130  -0.254  -3.855
  360    HG3  ARG  54           HG1      ARG  54  -4.335  -1.024  -4.888
  361    HD2  ARG  54           HD2      ARG  54  -3.773   0.596  -6.670
  362    HD3  ARG  54           HD1      ARG  54  -2.503   1.248  -5.637
  363    HE   ARG  54           HE       ARG  54  -1.852  -1.348  -5.731
  364   HH11  ARG  54          HH11      ARG  54  -2.711   0.913  -8.260
  365   HH12  ARG  54          HH12      ARG  54  -1.714   0.149  -9.458
  366   HH21  ARG  54          HH21      ARG  54  -0.551  -2.375  -7.315
  367   HH22  ARG  54          HH22      ARG  54  -0.497  -1.729  -8.925
  368    H    SER  55           HN       SER  55  -5.052  -1.949  -3.309
  369    HA   SER  55           HA       SER  55  -7.295  -2.788  -4.819
  370    HB2  SER  55           HB2      SER  55  -5.284  -4.509  -3.357
  371    HB3  SER  55           HB1      SER  55  -6.300  -4.992  -4.716
  372    HG   SER  55           HG       SER  55  -4.932  -4.101  -6.034
  373    H    CYS  56           HN       CYS  56  -6.473  -3.052  -1.406
  374    HA   CYS  56           HA       CYS  56  -8.681  -4.756  -0.794
  375    HB2  CYS  56           HB2      CYS  56  -6.857  -3.132   0.971
  376    HB3  CYS  56           HB1      CYS  56  -8.105  -4.214   1.583
  377    H    SER  57           HN       SER  57  -8.368  -1.418  -1.352
  378    HA   SER  57           HA       SER  57 -10.928  -0.839  -0.053
  379    HB2  SER  57           HB2      SER  57  -9.067   0.775   0.248
  380    HB3  SER  57           HB1      SER  57  -9.009   1.016  -1.496
  381    HG   SER  57           HG       SER  57 -11.238   1.719  -1.321
  382    H    GLY  58           HN       GLY  58 -10.082  -2.324  -2.715
  383    HA2  GLY  58           HA2      GLY  58 -12.206  -2.464  -4.241
  384    HA3  GLY  58           HA1      GLY  58 -11.693  -0.829  -4.650
  385    H    ASP  59           HN       ASP  59 -11.772  -3.211  -6.426
  386    HA   ASP  59           HA       ASP  59  -9.024  -4.132  -6.476
  387    HB2  ASP  59           HB2      ASP  59 -10.843  -5.752  -6.832
  388    HB3  ASP  59           HB1      ASP  59 -11.331  -4.880  -8.283
  389    H    VAL  60           HN       VAL  60  -7.497  -3.556  -7.825
  390    HA   VAL  60           HA       VAL  60  -8.023  -1.313  -9.596
  391    HB   VAL  60           HB       VAL  60  -5.355  -2.595  -8.987
  392   HG11  VAL  60          HG11      VAL  60  -6.080   0.162  -9.973
  393   HG12  VAL  60          HG12      VAL  60  -5.382  -1.137 -10.940
  394   HG13  VAL  60          HG13      VAL  60  -4.450  -0.413  -9.629
  395   HG21  VAL  60          HG21      VAL  60  -6.399  -1.939  -6.890
  396   HG22  VAL  60          HG22      VAL  60  -6.715  -0.328  -7.533
  397   HG23  VAL  60          HG23      VAL  60  -5.055  -0.866  -7.275
  398    H    THR  61           HN       THR  61  -9.234  -2.628 -11.088
  399    HA   THR  61           HA       THR  61  -7.922  -4.692 -12.581
  400    HB   THR  61           HB       THR  61 -10.463  -3.180 -13.220
  401    HG1  THR  61           HG1      THR  61  -9.903  -5.007 -11.294
  402   HG21  THR  61          HG21      THR  61  -9.571  -4.359 -15.154
  403   HG22  THR  61          HG22      THR  61 -11.021  -5.168 -14.559
  404   HG23  THR  61          HG23      THR  61  -9.429  -5.840 -14.207
  405    HA   PRO  62           HA       PRO  62  -5.633  -1.769 -15.121
  406    HB2  PRO  62           HB2      PRO  62  -5.227  -4.222 -16.742
  407    HB3  PRO  62           HB1      PRO  62  -4.033  -3.095 -16.089
  408    HG2  PRO  62           HG2      PRO  62  -4.364  -5.512 -15.012
  409    HG3  PRO  62           HG1      PRO  62  -4.039  -4.094 -13.997
  410    HD2  PRO  62           HD2      PRO  62  -6.620  -5.523 -14.490
  411    HD3  PRO  62           HD1      PRO  62  -5.989  -4.814 -12.988
  412    H    ALA  63           HN       ALA  63  -6.348  -0.548 -16.756
  413    HA   ALA  63           HA       ALA  63  -8.740  -1.313 -18.165
  414    HB1  ALA  63           HB1      ALA  63  -8.385   0.998 -17.398
  415    HB2  ALA  63           HB2      ALA  63  -8.641   0.909 -19.140
  416    HB3  ALA  63           HB3      ALA  63  -7.014   1.140 -18.499
  417    HA   PRO  64           HA       PRO  64  -6.675  -3.137 -21.620
  418    HB2  PRO  64           HB2      PRO  64  -8.721  -3.065 -23.400
  419    HB3  PRO  64           HB1      PRO  64  -8.669  -4.197 -22.044
  420    HG2  PRO  64           HG2      PRO  64 -10.139  -1.599 -22.287
  421    HG3  PRO  64           HG1      PRO  64 -10.701  -3.148 -21.630
  422    HD2  PRO  64           HD2      PRO  64  -9.871  -1.116 -20.050
  423    HD3  PRO  64           HD1      PRO  64  -9.644  -2.819 -19.610
  424    H    VAL  65           HN       VAL  65  -5.400  -0.991 -21.610
  425    HA   VAL  65           HA       VAL  65  -6.093   0.702 -23.893
  426    HB   VAL  65           HB       VAL  65  -3.663   1.068 -22.147
  427   HG11  VAL  65          HG11      VAL  65  -3.777   2.398 -24.184
  428   HG12  VAL  65          HG12      VAL  65  -3.942   3.424 -22.758
  429   HG13  VAL  65          HG13      VAL  65  -5.365   3.006 -23.714
  430   HG21  VAL  65          HG21      VAL  65  -5.559   0.893 -20.627
  431   HG22  VAL  65          HG22      VAL  65  -6.439   2.097 -21.566
  432   HG23  VAL  65          HG23      VAL  65  -4.971   2.554 -20.703
  433    H    GLU  66           HN       GLU  66  -5.390  -2.025 -24.267
  434    HA   GLU  66           HA       GLU  66  -2.692  -2.042 -25.332
  435    HB2  GLU  66           HB2      GLU  66  -4.830  -4.148 -25.038
  436    HB3  GLU  66           HB1      GLU  66  -3.389  -4.433 -25.999
  437    HG2  GLU  66           HG2      GLU  66  -3.085  -5.390 -23.834
  438    HG3  GLU  66           HG1      GLU  66  -2.010  -4.007 -23.998
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   2.122  -6.729  10.844
    2    H2   GLY   1           HT2      GLY   1   2.572  -7.516   9.420
    3    H3   GLY   1           HT3      GLY   1   3.430  -6.157   9.941
    4    HA2  GLY   1           HA1      GLY   1   4.191  -7.352  11.896
    5    HA3  GLY   1           HA2      GLY   1   3.307  -8.767  11.340
    6    H    ALA   2           HN       ALA   2   5.793  -9.336  11.723
    7    HA   ALA   2           HA       ALA   2   7.457  -8.788   9.432
    8    HB1  ALA   2           HB1      ALA   2   7.855 -10.728  11.707
    9    HB2  ALA   2           HB2      ALA   2   8.451  -9.070  11.650
   10    HB3  ALA   2           HB3      ALA   2   9.068 -10.268  10.514
   11    H    MET   3           HN       MET   3   8.279 -10.462   8.021
   12    HA   MET   3           HA       MET   3   6.238 -12.519   7.542
   13    HB2  MET   3           HB2      MET   3   7.149 -12.560   5.199
   14    HB3  MET   3           HB1      MET   3   6.357 -11.066   5.664
   15    HG2  MET   3           HG2      MET   3   8.584 -10.069   6.084
   16    HG3  MET   3           HG1      MET   3   9.319 -11.554   5.483
   17    HE1  MET   3           HE1      MET   3   8.040 -11.585   1.756
   18    HE2  MET   3           HE2      MET   3   7.162 -12.259   3.128
   19    HE3  MET   3           HE3      MET   3   8.909 -12.478   3.005
   20    H    GLU   4           HN       GLU   4   7.194 -13.879   9.119
   21    HA   GLU   4           HA       GLU   4   9.864 -14.866   8.780
   22    HB2  GLU   4           HB2      GLU   4   8.822 -14.791  10.997
   23    HB3  GLU   4           HB1      GLU   4   7.580 -15.915  10.464
   24    HG2  GLU   4           HG2      GLU   4   9.289 -17.008  11.819
   25    HG3  GLU   4           HG1      GLU   4   9.235 -17.659  10.182
   26    H    GLY   5           HN       GLY   5  10.519 -16.819   7.976
   27    HA2  GLY   5           HA2      GLY   5   9.735 -19.035   7.074
   28    HA3  GLY   5           HA1      GLY   5   8.574 -18.084   6.154
   29    H    GLN   6           HN       GLN   6  10.072 -19.613   4.635
   30    HA   GLN   6           HA       GLN   6  12.446 -18.147   3.809
   31    HB2  GLN   6           HB2      GLN   6  11.241 -20.707   2.746
   32    HB3  GLN   6           HB1      GLN   6  12.775 -20.018   2.233
   33    HG2  GLN   6           HG2      GLN   6  13.629 -20.264   4.526
   34    HG3  GLN   6           HG1      GLN   6  12.105 -21.013   4.994
   35   HE21  GLN   6          HE21      GLN   6  13.153 -22.909   5.595
   36   HE22  GLN   6          HE22      GLN   6  13.764 -24.026   4.421
   37    H    GLN   7           HN       GLN   7  10.247 -16.630   3.538
   38    HA   GLN   7           HA       GLN   7   9.322 -16.801   0.775
   39    HB2  GLN   7           HB2      GLN   7   8.443 -15.153   3.144
   40    HB3  GLN   7           HB1      GLN   7   7.829 -14.880   1.519
   41    HG2  GLN   7           HG2      GLN   7   7.600 -17.469   3.034
   42    HG3  GLN   7           HG1      GLN   7   6.329 -16.253   2.900
   43   HE21  GLN   7          HE21      GLN   7   5.300 -15.944   0.921
   44   HE22  GLN   7          HE22      GLN   7   5.390 -17.119  -0.350
   45    H    ASN   8           HN       ASN   8  11.085 -16.102  -0.403
   46    HA   ASN   8           HA       ASN   8  12.314 -13.563   0.207
   47    HB2  ASN   8           HB2      ASN   8  12.659 -15.458  -2.124
   48    HB3  ASN   8           HB1      ASN   8  13.537 -13.939  -1.971
   49   HD21  ASN   8          HD21      ASN   8  15.545 -14.824  -1.798
   50   HD22  ASN   8          HD22      ASN   8  16.058 -15.771  -0.445
   51    H    LEU   9           HN       LEU   9   9.506 -14.529  -1.266
   52    HA   LEU   9           HA       LEU   9   9.356 -12.504  -3.301
   53    HB2  LEU   9           HB2      LEU   9   7.318 -14.386  -2.121
   54    HB3  LEU   9           HB1      LEU   9   6.901 -13.186  -3.323
   55    HG   LEU   9           HG       LEU   9   7.151 -15.254  -4.456
   56   HD11  LEU   9          HD11      LEU   9   8.953 -14.806  -6.019
   57   HD12  LEU   9          HD12      LEU   9   9.664 -13.655  -4.889
   58   HD13  LEU   9          HD13      LEU   9   8.090 -13.324  -5.611
   59   HD21  LEU   9          HD21      LEU   9   9.855 -15.528  -3.153
   60   HD22  LEU   9          HD22      LEU   9   9.166 -16.627  -4.348
   61   HD23  LEU   9          HD23      LEU   9   8.414 -16.466  -2.761
   62    H    ALA  10           HN       ALA  10  10.079 -10.998  -1.431
   63    HA   ALA  10           HA       ALA  10   7.827  -9.971   0.115
   64    HB1  ALA  10           HB1      ALA  10  10.747  -9.224   0.139
   65    HB2  ALA  10           HB2      ALA  10   9.934 -10.290   1.284
   66    HB3  ALA  10           HB3      ALA  10   9.519  -8.577   1.222
   67    HA   PRO  11           HA       PRO  11   7.154  -6.686  -2.859
   68    HB2  PRO  11           HB2      PRO  11   5.808  -5.282  -0.658
   69    HB3  PRO  11           HB1      PRO  11   5.145  -5.852  -2.192
   70    HG2  PRO  11           HG2      PRO  11   4.525  -7.023   0.150
   71    HG3  PRO  11           HG1      PRO  11   4.653  -7.940  -1.360
   72    HD2  PRO  11           HD2      PRO  11   6.613  -7.712   0.889
   73    HD3  PRO  11           HD1      PRO  11   6.158  -9.133  -0.071
   74    H    GLY  12           HN       GLY  12   8.804  -6.492   0.098
   75    HA2  GLY  12           HA2      GLY  12  10.726  -5.240   0.517
   76    HA3  GLY  12           HA1      GLY  12  10.326  -4.212  -0.853
   77    H    ALA  13           HN       ALA  13  10.623  -2.300   0.234
   78    HA   ALA  13           HA       ALA  13   8.350  -1.474   1.815
   79    HB1  ALA  13           HB1      ALA  13   9.906  -2.333   3.515
   80    HB2  ALA  13           HB2      ALA  13   9.649  -0.596   3.665
   81    HB3  ALA  13           HB3      ALA  13  11.137  -1.206   2.942
   82    H    ARG  14           HN       ARG  14   8.233  -0.396  -0.342
   83    HA   ARG  14           HA       ARG  14   9.366   2.250  -0.088
   84    HB2  ARG  14           HB2      ARG  14  11.056   0.964  -1.396
   85    HB3  ARG  14           HB1      ARG  14   9.825   0.658  -2.613
   86    HG2  ARG  14           HG2      ARG  14   9.621   3.054  -3.018
   87    HG3  ARG  14           HG1      ARG  14  10.848   3.365  -1.787
   88    HD2  ARG  14           HD2      ARG  14  12.456   2.035  -3.107
   89    HD3  ARG  14           HD1      ARG  14  11.228   1.836  -4.357
   90    HE   ARG  14           HE       ARG  14  11.906   4.565  -3.600
   91   HH11  ARG  14          HH11      ARG  14  12.339   1.928  -5.860
   92   HH12  ARG  14          HH12      ARG  14  12.910   2.951  -7.138
   93   HH21  ARG  14          HH21      ARG  14  12.669   5.910  -5.274
   94   HH22  ARG  14          HH22      ARG  14  13.097   5.214  -6.806
   95    H    CYS  15           HN       CYS  15   8.003   3.761  -0.770
   96    HA   CYS  15           HA       CYS  15   5.473   2.916  -1.934
   97    HB2  CYS  15           HB2      CYS  15   5.365   4.350   0.001
   98    HB3  CYS  15           HB1      CYS  15   6.484   5.494  -0.720
   99    H    GLY  16           HN       GLY  16   5.557   2.703  -4.091
  100    HA2  GLY  16           HA2      GLY  16   7.520   4.128  -5.647
  101    HA3  GLY  16           HA1      GLY  16   6.392   2.919  -6.238
  102    H    VAL  17           HN       VAL  17   4.459   4.941  -4.644
  103    HA   VAL  17           HA       VAL  17   3.465   6.193  -6.998
  104    HB   VAL  17           HB       VAL  17   2.793   6.860  -4.128
  105   HG11  VAL  17          HG11      VAL  17   0.671   7.653  -5.049
  106   HG12  VAL  17          HG12      VAL  17   1.237   7.281  -6.678
  107   HG13  VAL  17          HG13      VAL  17   2.037   8.536  -5.732
  108   HG21  VAL  17          HG21      VAL  17   0.911   5.296  -4.400
  109   HG22  VAL  17          HG22      VAL  17   2.475   4.490  -4.510
  110   HG23  VAL  17          HG23      VAL  17   1.553   4.825  -5.974
  111    H    CYS  18           HN       CYS  18   5.589   7.152  -4.403
  112    HA   CYS  18           HA       CYS  18   5.871   9.796  -5.661
  113    HB2  CYS  18           HB2      CYS  18   6.594  10.637  -3.466
  114    HB3  CYS  18           HB1      CYS  18   4.973   9.954  -3.389
  115    H    GLY  19           HN       GLY  19   7.565   7.118  -4.079
  116    HA2  GLY  19           HA2      GLY  19   9.572   6.383  -5.392
  117    HA3  GLY  19           HA1      GLY  19  10.061   8.070  -5.338
  118    H    ASP  20           HN       ASP  20   8.796   7.967  -2.486
  119    HA   ASP  20           HA       ASP  20  11.335   7.332  -1.209
  120    HB2  ASP  20           HB2      ASP  20   8.865   8.754  -0.219
  121    HB3  ASP  20           HB1      ASP  20  10.231   8.373   0.822
  122    H    GLY  21           HN       GLY  21  11.653   5.792   0.315
  123    HA2  GLY  21           HA2      GLY  21   9.399   3.946   0.776
  124    HA3  GLY  21           HA1      GLY  21  11.090   3.466   0.763
  125    H    THR  22           HN       THR  22  10.909   6.379   2.265
  126    HA   THR  22           HA       THR  22  11.264   5.226   4.874
  127    HB   THR  22           HB       THR  22  11.160   8.134   4.046
  128    HG1  THR  22           HG1      THR  22  13.159   7.865   3.417
  129   HG21  THR  22          HG21      THR  22  12.357   8.548   6.145
  130   HG22  THR  22          HG22      THR  22  12.245   6.837   6.552
  131   HG23  THR  22          HG23      THR  22  10.781   7.817   6.446
  132    H    ASP  23           HN       ASP  23   9.844   5.137   6.490
  133    HA   ASP  23           HA       ASP  23   7.929   5.250   7.685
  134    HB2  ASP  23           HB2      ASP  23   8.548   7.679   7.682
  135    HB3  ASP  23           HB1      ASP  23   7.483   7.902   6.298
  136    H    VAL  24           HN       VAL  24   7.698   3.638   5.599
  137    HA   VAL  24           HA       VAL  24   5.267   4.279   4.144
  138    HB   VAL  24           HB       VAL  24   5.605   1.999   3.113
  139   HG11  VAL  24          HG11      VAL  24   7.861   3.982   2.860
  140   HG12  VAL  24          HG12      VAL  24   6.323   4.040   1.999
  141   HG13  VAL  24          HG13      VAL  24   7.458   2.724   1.690
  142   HG21  VAL  24          HG21      VAL  24   6.911   0.953   4.855
  143   HG22  VAL  24          HG22      VAL  24   8.191   2.149   4.658
  144   HG23  VAL  24          HG23      VAL  24   7.855   0.999   3.366
  145    H    LEU  25           HN       LEU  25   3.348   3.206   4.340
  146    HA   LEU  25           HA       LEU  25   2.952   1.774   6.860
  147    HB2  LEU  25           HB2      LEU  25   0.992   3.042   4.940
  148    HB3  LEU  25           HB1      LEU  25   0.537   2.197   6.409
  149    HG   LEU  25           HG       LEU  25   2.251   4.681   6.334
  150   HD11  LEU  25          HD11      LEU  25   0.007   5.173   5.563
  151   HD12  LEU  25          HD12      LEU  25   0.265   5.835   7.177
  152   HD13  LEU  25          HD13      LEU  25  -0.676   4.358   6.969
  153   HD21  LEU  25          HD21      LEU  25   2.672   3.300   8.281
  154   HD22  LEU  25          HD22      LEU  25   0.943   3.201   8.612
  155   HD23  LEU  25          HD23      LEU  25   1.779   4.747   8.744
  156    H    ARG  26           HN       ARG  26   1.677  -0.152   6.890
  157    HA   ARG  26           HA       ARG  26   2.046  -1.745   4.442
  158    HB2  ARG  26           HB2      ARG  26   1.650  -2.739   7.268
  159    HB3  ARG  26           HB1      ARG  26   2.125  -3.688   5.869
  160    HG2  ARG  26           HG2      ARG  26   3.774  -1.490   7.086
  161    HG3  ARG  26           HG1      ARG  26   3.983  -3.208   7.415
  162    HD2  ARG  26           HD2      ARG  26   4.439  -3.589   5.031
  163    HD3  ARG  26           HD1      ARG  26   4.270  -1.858   4.735
  164    HE   ARG  26           HE       ARG  26   6.159  -1.933   6.647
  165   HH11  ARG  26          HH11      ARG  26   5.830  -3.628   3.600
  166   HH12  ARG  26          HH12      ARG  26   7.543  -3.795   3.364
  167   HH21  ARG  26          HH21      ARG  26   8.394  -2.160   6.354
  168   HH22  ARG  26          HH22      ARG  26   9.001  -2.978   4.952
  169    H    CYS  27           HN       CYS  27   0.391  -3.209   3.823
  170    HA   CYS  27           HA       CYS  27  -2.288  -2.370   4.582
  171    HB2  CYS  27           HB2      CYS  27  -1.544  -2.852   2.172
  172    HB3  CYS  27           HB1      CYS  27  -1.577  -4.565   2.611
  173    H    THR  28           HN       THR  28  -3.770  -3.698   5.623
  174    HA   THR  28           HA       THR  28  -2.589  -5.850   7.176
  175    HB   THR  28           HB       THR  28  -4.830  -5.867   8.332
  176    HG1  THR  28           HG1      THR  28  -5.299  -3.411   6.980
  177   HG21  THR  28          HG21      THR  28  -4.435  -3.751   9.517
  178   HG22  THR  28          HG22      THR  28  -3.338  -3.243   8.233
  179   HG23  THR  28          HG23      THR  28  -2.933  -4.633   9.240
  180    H    HIS  29           HN       HIS  29  -4.662  -5.461   4.443
  181    HA   HIS  29           HA       HIS  29  -5.647  -8.207   4.658
  182    HB2  HIS  29           HB2      HIS  29  -6.388  -5.902   2.874
  183    HB3  HIS  29           HB1      HIS  29  -6.911  -7.543   2.517
  184    HD1  HIS  29           HD1      HIS  29  -9.367  -6.615   2.837
  185    HD2  HIS  29           HD2      HIS  29  -7.008  -6.648   6.259
  186    HE1  HIS  29           HE1      HIS  29 -10.958  -6.301   4.759
  187    HE2  HIS  29           HE2      HIS  29  -9.524  -6.455   6.824
  188    H    CYS  30           HN       CYS  30  -3.200  -6.420   3.092
  189    HA   CYS  30           HA       CYS  30  -2.289  -8.851   1.830
  190    HB2  CYS  30           HB2      CYS  30  -2.133  -8.076  -0.386
  191    HB3  CYS  30           HB1      CYS  30  -3.739  -7.575   0.124
  192    H    ALA  31           HN       ALA  31  -0.126  -8.037   0.540
  193    HA   ALA  31           HA       ALA  31   1.413  -6.696   2.634
  194    HB1  ALA  31           HB1      ALA  31   3.365  -7.849   1.719
  195    HB2  ALA  31           HB2      ALA  31   2.352  -8.575   0.471
  196    HB3  ALA  31           HB3      ALA  31   2.096  -8.987   2.167
  197    H    ALA  32           HN       ALA  32   2.052  -4.702   2.244
  198    HA   ALA  32           HA       ALA  32   3.170  -3.864  -0.229
  199    HB1  ALA  32           HB1      ALA  32   0.788  -3.787  -0.862
  200    HB2  ALA  32           HB2      ALA  32   1.521  -2.183  -0.849
  201    HB3  ALA  32           HB3      ALA  32   0.479  -2.687   0.481
  202    H    ALA  33           HN       ALA  33   4.217  -1.882  -0.041
  203    HA   ALA  33           HA       ALA  33   4.022  -0.556   2.583
  204    HB1  ALA  33           HB1      ALA  33   6.395   0.031   2.348
  205    HB2  ALA  33           HB2      ALA  33   6.467  -0.888   0.846
  206    HB3  ALA  33           HB3      ALA  33   6.153  -1.716   2.371
  207    H    PHE  34           HN       PHE  34   3.070   1.356   2.346
  208    HA   PHE  34           HA       PHE  34   3.742   3.082   0.109
  209    HB2  PHE  34           HB2      PHE  34   1.392   3.304  -0.619
  210    HB3  PHE  34           HB1      PHE  34   1.993   1.666  -0.849
  211    HD1  PHE  34           HD2      PHE  34   1.238  -0.149   0.631
  212    HD2  PHE  34           HD1      PHE  34  -0.396   3.772   0.889
  213    HE1  PHE  34           HE2      PHE  34  -0.662  -1.029   1.918
  214    HE2  PHE  34           HE1      PHE  34  -2.302   2.898   2.174
  215    HZ   PHE  34           HZ       PHE  34  -2.436   0.493   2.690
  216    H    HIS  35           HN       HIS  35   2.788   5.222   0.331
  217    HA   HIS  35           HA       HIS  35   2.301   5.929   3.118
  218    HB2  HIS  35           HB2      HIS  35   2.578   7.676   0.660
  219    HB3  HIS  35           HB1      HIS  35   2.379   8.271   2.304
  220    HD2  HIS  35           HD2      HIS  35   4.642   6.339   3.718
  221    HE1  HIS  35           HE1      HIS  35   7.206   8.245   0.945
  222    HE2  HIS  35           HE2      HIS  35   7.075   7.098   3.212
  223    H    TRP  36           HN       TRP  36   0.400   6.557   3.903
  224    HA   TRP  36           HA       TRP  36  -2.012   5.909   2.640
  225    HB2  TRP  36           HB2      TRP  36  -1.684   6.093   5.094
  226    HB3  TRP  36           HB1      TRP  36  -1.536   7.836   4.929
  227    HD1  TRP  36           HD1      TRP  36  -3.729   9.216   4.963
  228    HE1  TRP  36           HE1      TRP  36  -6.223   8.625   5.160
  229    HE3  TRP  36           HE3      TRP  36  -3.418   4.158   4.315
  230    HZ2  TRP  36           HZ2      TRP  36  -7.849   6.319   5.039
  231    HZ3  TRP  36           HZ3      TRP  36  -5.490   2.834   4.365
  232    HH2  TRP  36           HH2      TRP  36  -7.659   3.893   4.721
  233    H    ARG  37           HN       ARG  37  -0.205   8.910   2.860
  234    HA   ARG  37           HA       ARG  37  -2.214  10.565   1.701
  235    HB2  ARG  37           HB2      ARG  37   0.762  10.944   2.034
  236    HB3  ARG  37           HB1      ARG  37  -0.308  12.180   1.389
  237    HG2  ARG  37           HG2      ARG  37  -1.540  12.237   3.482
  238    HG3  ARG  37           HG1      ARG  37  -0.514  10.957   4.134
  239    HD2  ARG  37           HD2      ARG  37   1.435  12.393   3.943
  240    HD3  ARG  37           HD1      ARG  37   0.452  13.662   3.215
  241    HE   ARG  37           HE       ARG  37  -0.810  13.490   5.473
  242   HH11  ARG  37          HH11      ARG  37   2.644  13.182   4.998
  243   HH12  ARG  37          HH12      ARG  37   3.050  13.772   6.575
  244   HH21  ARG  37          HH21      ARG  37  -0.284  14.301   7.543
  245   HH22  ARG  37          HH22      ARG  37   1.377  14.415   8.024
  246    H    CYS  38           HN       CYS  38   0.107   8.390   0.368
  247    HA   CYS  38           HA       CYS  38   0.041   9.675  -2.242
  248    HB2  CYS  38           HB2      CYS  38   1.518   7.238  -1.239
  249    HB3  CYS  38           HB1      CYS  38   1.579   7.800  -2.904
  250    H    HIS  39           HN       HIS  39  -1.519   7.083  -0.560
  251    HA   HIS  39           HA       HIS  39  -2.562   6.033  -3.094
  252    HB2  HIS  39           HB2      HIS  39  -2.271   4.867  -0.366
  253    HB3  HIS  39           HB1      HIS  39  -3.583   4.284  -1.384
  254    HD1  HIS  39           HD1      HIS  39  -2.880   2.145  -2.401
  255    HD2  HIS  39           HD2      HIS  39   0.244   4.877  -2.270
  256    HE1  HIS  39           HE1      HIS  39  -0.923   0.967  -3.432
  257    HE2  HIS  39           HE2      HIS  39   0.934   2.668  -3.435
  258    H    PHE  40           HN       PHE  40  -3.452   7.908  -0.374
  259    HA   PHE  40           HA       PHE  40  -6.234   7.931  -1.323
  260    HB2  PHE  40           HB2      PHE  40  -5.279   7.863   1.552
  261    HB3  PHE  40           HB1      PHE  40  -6.933   8.227   1.075
  262    HD1  PHE  40           HD1      PHE  40  -4.341   5.605   1.138
  263    HD2  PHE  40           HD2      PHE  40  -8.448   6.506   0.486
  264    HE1  PHE  40           HE1      PHE  40  -4.866   3.202   1.149
  265    HE2  PHE  40           HE2      PHE  40  -8.979   4.104   0.497
  266    HZ   PHE  40           HZ       PHE  40  -7.188   2.449   0.827
  267    HA   PRO  41           HA       PRO  41  -5.832  12.366  -1.453
  268    HB2  PRO  41           HB2      PRO  41  -8.352  12.979  -0.420
  269    HB3  PRO  41           HB1      PRO  41  -7.977  12.710  -2.123
  270    HG2  PRO  41           HG2      PRO  41  -9.148  10.840  -0.119
  271    HG3  PRO  41           HG1      PRO  41  -9.505  11.005  -1.847
  272    HD2  PRO  41           HD2      PRO  41  -8.009   8.991  -0.914
  273    HD3  PRO  41           HD1      PRO  41  -7.653   9.762  -2.474
  274    H    ALA  42           HN       ALA  42  -5.442  14.054  -0.088
  275    HA   ALA  42           HA       ALA  42  -4.281  13.359   2.346
  276    HB1  ALA  42           HB1      ALA  42  -3.548  15.244   0.975
  277    HB2  ALA  42           HB2      ALA  42  -3.851  15.730   2.643
  278    HB3  ALA  42           HB3      ALA  42  -5.025  16.115   1.385
  279    H    GLY  43           HN       GLY  43  -7.520  14.406   1.674
  280    HA2  GLY  43           HA2      GLY  43  -8.108  15.275   4.348
  281    HA3  GLY  43           HA1      GLY  43  -9.269  15.006   3.060
  282    H    THR  44           HN       THR  44  -7.743  12.224   2.964
  283    HA   THR  44           HA       THR  44  -9.770  10.823   4.413
  284    HB   THR  44           HB       THR  44  -7.231   9.599   3.337
  285    HG1  THR  44           HG1      THR  44  -7.895  10.536   1.524
  286   HG21  THR  44          HG21      THR  44 -10.057   8.551   3.557
  287   HG22  THR  44          HG22      THR  44  -8.737   8.163   4.658
  288   HG23  THR  44          HG23      THR  44  -8.657   7.655   2.972
  289    H    SER  45           HN       SER  45  -9.707  10.060   6.450
  290    HA   SER  45           HA       SER  45  -7.359  10.661   8.053
  291    HB2  SER  45           HB2      SER  45  -9.686  11.249   8.817
  292    HB3  SER  45           HB1      SER  45 -10.019   9.523   8.949
  293    HG   SER  45           HG       SER  45  -7.857  10.784  10.289
  294    H    ARG  46           HN       ARG  46  -6.068   9.162   9.004
  295    HA   ARG  46           HA       ARG  46  -6.053   6.563   7.763
  296    HB2  ARG  46           HB2      ARG  46  -4.007   7.993   8.256
  297    HB3  ARG  46           HB1      ARG  46  -4.221   7.558   9.945
  298    HG2  ARG  46           HG2      ARG  46  -4.114   5.140   9.179
  299    HG3  ARG  46           HG1      ARG  46  -3.541   5.772   7.635
  300    HD2  ARG  46           HD2      ARG  46  -2.253   6.097  10.336
  301    HD3  ARG  46           HD1      ARG  46  -1.648   5.167   8.970
  302    HE   ARG  46           HE       ARG  46  -1.874   7.742   8.044
  303   HH11  ARG  46          HH11      ARG  46  -0.169   6.132  10.641
  304   HH12  ARG  46          HH12      ARG  46   1.138   7.271  10.659
  305   HH21  ARG  46          HH21      ARG  46  -0.146   9.239   8.059
  306   HH22  ARG  46          HH22      ARG  46   1.148   9.041   9.198
  307    HA   PRO  47           HA       PRO  47  -8.336   4.656  11.106
  308    HB2  PRO  47           HB2      PRO  47  -8.011   2.082  10.291
  309    HB3  PRO  47           HB1      PRO  47  -9.174   3.184   9.547
  310    HG2  PRO  47           HG2      PRO  47  -6.450   2.386   8.609
  311    HG3  PRO  47           HG1      PRO  47  -7.941   2.599   7.673
  312    HD2  PRO  47           HD2      PRO  47  -5.976   4.467   7.761
  313    HD3  PRO  47           HD1      PRO  47  -7.690   4.883   7.559
  314    H    GLY  48           HN       GLY  48  -7.718   4.005  13.067
  315    HA2  GLY  48           HA2      GLY  48  -4.971   3.774  13.726
  316    HA3  GLY  48           HA1      GLY  48  -6.322   3.485  14.811
  317    H    THR  49           HN       THR  49  -7.469   1.454  13.058
  318    HA   THR  49           HA       THR  49  -5.451  -0.662  13.089
  319    HB   THR  49           HB       THR  49  -7.316  -2.202  13.986
  320    HG1  THR  49           HG1      THR  49  -8.288   0.369  14.758
  321   HG21  THR  49          HG21      THR  49  -6.712  -1.743  16.313
  322   HG22  THR  49          HG22      THR  49  -6.061  -0.174  15.840
  323   HG23  THR  49          HG23      THR  49  -5.299  -1.656  15.262
  324    H    GLY  50           HN       GLY  50  -5.562  -1.939  11.320
  325    HA2  GLY  50           HA2      GLY  50  -6.635  -3.125   9.598
  326    HA3  GLY  50           HA1      GLY  50  -8.087  -2.177   9.874
  327    H    LEU  51           HN       LEU  51  -4.710  -1.451   9.046
  328    HA   LEU  51           HA       LEU  51  -5.371   0.691   7.311
  329    HB2  LEU  51           HB2      LEU  51  -3.127  -0.037   8.544
  330    HB3  LEU  51           HB1      LEU  51  -2.823  -0.838   7.017
  331    HG   LEU  51           HG       LEU  51  -1.729   1.345   7.124
  332   HD11  LEU  51          HD11      LEU  51  -2.553   2.283   5.029
  333   HD12  LEU  51          HD12      LEU  51  -4.003   1.287   5.152
  334   HD13  LEU  51          HD13      LEU  51  -2.426   0.527   4.948
  335   HD21  LEU  51          HD21      LEU  51  -3.310   2.444   8.637
  336   HD22  LEU  51          HD22      LEU  51  -4.507   2.491   7.342
  337   HD23  LEU  51          HD23      LEU  51  -3.006   3.403   7.188
  338    H    ARG  52           HN       ARG  52  -6.112   0.608   5.277
  339    HA   ARG  52           HA       ARG  52  -5.819  -1.919   3.784
  340    HB2  ARG  52           HB2      ARG  52  -8.083   0.085   3.775
  341    HB3  ARG  52           HB1      ARG  52  -7.927  -1.205   2.594
  342    HG2  ARG  52           HG2      ARG  52  -8.161  -2.871   4.323
  343    HG3  ARG  52           HG1      ARG  52  -8.198  -1.614   5.566
  344    HD2  ARG  52           HD2      ARG  52 -10.241  -0.697   4.533
  345    HD3  ARG  52           HD1      ARG  52 -10.212  -2.003   3.350
  346    HE   ARG  52           HE       ARG  52 -10.177  -3.068   5.963
  347   HH11  ARG  52          HH11      ARG  52 -12.339  -1.464   3.717
  348   HH12  ARG  52          HH12      ARG  52 -13.769  -2.168   4.402
  349   HH21  ARG  52          HH21      ARG  52 -12.050  -4.002   6.852
  350   HH22  ARG  52          HH22      ARG  52 -13.602  -3.616   6.180
  351    H    CYS  53           HN       CYS  53  -5.036  -1.814   1.739
  352    HA   CYS  53           HA       CYS  53  -4.226   0.758   0.679
  353    HB2  CYS  53           HB2      CYS  53  -3.030  -0.454  -0.985
  354    HB3  CYS  53           HB1      CYS  53  -2.830  -1.377   0.500
  355    H    ARG  54           HN       ARG  54  -4.814   1.064  -1.834
  356    HA   ARG  54           HA       ARG  54  -7.607   1.456  -1.788
  357    HB2  ARG  54           HB2      ARG  54  -7.423   2.276  -4.068
  358    HB3  ARG  54           HB1      ARG  54  -6.123   2.925  -3.082
  359    HG2  ARG  54           HG2      ARG  54  -4.512   1.602  -4.128
  360    HG3  ARG  54           HG1      ARG  54  -5.720   0.503  -4.799
  361    HD2  ARG  54           HD2      ARG  54  -5.383   3.398  -5.577
  362    HD3  ARG  54           HD1      ARG  54  -4.756   2.027  -6.490
  363    HE   ARG  54           HE       ARG  54  -7.506   1.654  -6.102
  364   HH11  ARG  54          HH11      ARG  54  -5.347   3.800  -7.817
  365   HH12  ARG  54          HH12      ARG  54  -6.462   4.091  -9.114
  366   HH21  ARG  54          HH21      ARG  54  -8.975   2.029  -7.802
  367   HH22  ARG  54          HH22      ARG  54  -8.531   3.083  -9.107
  368    H    SER  55           HN       SER  55  -5.613  -1.061  -3.186
  369    HA   SER  55           HA       SER  55  -7.548  -2.226  -4.855
  370    HB2  SER  55           HB2      SER  55  -5.311  -3.689  -3.460
  371    HB3  SER  55           HB1      SER  55  -6.044  -4.073  -5.017
  372    HG   SER  55           HG       SER  55  -4.680  -2.767  -5.908
  373    H    CYS  56           HN       CYS  56  -6.629  -2.917  -1.494
  374    HA   CYS  56           HA       CYS  56  -8.551  -4.998  -1.153
  375    HB2  CYS  56           HB2      CYS  56  -6.971  -3.373   0.841
  376    HB3  CYS  56           HB1      CYS  56  -8.048  -4.688   1.305
  377    H    SER  57           HN       SER  57  -8.763  -1.610  -1.190
  378    HA   SER  57           HA       SER  57 -11.150  -1.490   0.459
  379    HB2  SER  57           HB2      SER  57  -9.766   0.679  -1.139
  380    HB3  SER  57           HB1      SER  57 -11.055   0.924   0.040
  381    HG   SER  57           HG       SER  57  -8.367   0.207   0.443
  382    H    GLY  58           HN       GLY  58 -10.808  -2.833  -2.315
  383    HA2  GLY  58           HA2      GLY  58 -12.528  -3.420  -3.790
  384    HA3  GLY  58           HA1      GLY  58 -13.420  -1.992  -3.287
  385    H    ASP  59           HN       ASP  59 -13.804  -0.978  -5.168
  386    HA   ASP  59           HA       ASP  59 -11.446  -0.186  -6.738
  387    HB2  ASP  59           HB2      ASP  59 -14.167  -1.047  -7.696
  388    HB3  ASP  59           HB1      ASP  59 -13.126  -0.034  -8.692
  389    H    VAL  60           HN       VAL  60 -11.372   1.647  -5.332
  390    HA   VAL  60           HA       VAL  60 -13.606   3.510  -5.443
  391    HB   VAL  60           HB       VAL  60 -10.958   3.882  -4.039
  392   HG11  VAL  60          HG11      VAL  60 -12.210   5.938  -4.376
  393   HG12  VAL  60          HG12      VAL  60 -12.205   5.490  -2.670
  394   HG13  VAL  60          HG13      VAL  60 -13.641   5.204  -3.651
  395   HG21  VAL  60          HG21      VAL  60 -13.521   2.695  -2.984
  396   HG22  VAL  60          HG22      VAL  60 -12.132   3.145  -1.995
  397   HG23  VAL  60          HG23      VAL  60 -11.982   1.862  -3.197
  398    H    THR  61           HN       THR  61 -13.521   4.090  -7.636
  399    HA   THR  61           HA       THR  61 -11.180   5.666  -8.442
  400    HB   THR  61           HB       THR  61 -12.316   5.542 -10.740
  401    HG1  THR  61           HG1      THR  61 -14.299   4.740 -10.419
  402   HG21  THR  61          HG21      THR  61 -10.306   4.286 -10.206
  403   HG22  THR  61          HG22      THR  61 -11.395   3.304 -11.182
  404   HG23  THR  61          HG23      THR  61 -11.273   3.024  -9.446
  405    HA   PRO  62           HA       PRO  62 -13.612   9.369  -7.631
  406    HB2  PRO  62           HB2      PRO  62 -11.488  10.463  -9.413
  407    HB3  PRO  62           HB1      PRO  62 -12.045  11.048  -7.841
  408    HG2  PRO  62           HG2      PRO  62  -9.725   9.767  -8.067
  409    HG3  PRO  62           HG1      PRO  62 -10.783   9.496  -6.669
  410    HD2  PRO  62           HD2      PRO  62 -10.312   7.766  -9.058
  411    HD3  PRO  62           HD1      PRO  62 -10.586   7.307  -7.365
  412    H    ALA  63           HN       ALA  63 -15.259  10.197  -8.773
  413    HA   ALA  63           HA       ALA  63 -15.955   9.143 -11.276
  414    HB1  ALA  63           HB1      ALA  63 -17.591   9.967  -9.642
  415    HB2  ALA  63           HB2      ALA  63 -17.819  10.697 -11.229
  416    HB3  ALA  63           HB3      ALA  63 -17.044  11.615  -9.940
  417    HA   PRO  64           HA       PRO  64 -13.408  11.814 -13.780
  418    HB2  PRO  64           HB2      PRO  64 -14.147  10.776 -16.176
  419    HB3  PRO  64           HB1      PRO  64 -13.009   9.969 -15.092
  420    HG2  PRO  64           HG2      PRO  64 -15.919   9.437 -15.522
  421    HG3  PRO  64           HG1      PRO  64 -14.588   8.286 -15.304
  422    HD2  PRO  64           HD2      PRO  64 -16.319   8.973 -13.316
  423    HD3  PRO  64           HD1      PRO  64 -14.644   8.469 -13.021
  424    H    VAL  65           HN       VAL  65 -14.555  13.731 -13.300
  425    HA   VAL  65           HA       VAL  65 -16.528  14.451 -15.354
  426    HB   VAL  65           HB       VAL  65 -17.587  15.995 -13.728
  427   HG11  VAL  65          HG11      VAL  65 -18.772  14.279 -12.432
  428   HG12  VAL  65          HG12      VAL  65 -17.538  13.102 -12.877
  429   HG13  VAL  65          HG13      VAL  65 -18.571  13.807 -14.120
  430   HG21  VAL  65          HG21      VAL  65 -15.702  16.299 -12.209
  431   HG22  VAL  65          HG22      VAL  65 -15.819  14.612 -11.710
  432   HG23  VAL  65          HG23      VAL  65 -17.125  15.736 -11.334
  433    H    GLU  66           HN       GLU  66 -16.406  16.547 -16.177
  434    HA   GLU  66           HA       GLU  66 -13.823  17.842 -15.808
  435    HB2  GLU  66           HB2      GLU  66 -16.034  18.266 -17.822
  436    HB3  GLU  66           HB1      GLU  66 -14.591  19.268 -17.745
  437    HG2  GLU  66           HG2      GLU  66 -14.662  16.303 -18.262
  438    HG3  GLU  66           HG1      GLU  66 -14.398  17.563 -19.466
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  24.589  -9.819  -0.632
    2    H2   GLY   1           HT2      GLY   1  26.034 -10.242   0.133
    3    H3   GLY   1           HT3      GLY   1  25.156 -11.408  -0.716
    4    HA2  GLY   1           HA1      GLY   1  27.039 -10.737  -2.021
    5    HA3  GLY   1           HA2      GLY   1  25.544 -10.227  -2.790
    6    H    ALA   2           HN       ALA   2  28.536  -9.249  -1.521
    7    HA   ALA   2           HA       ALA   2  27.868  -6.488  -1.086
    8    HB1  ALA   2           HB1      ALA   2  30.555  -7.838  -1.319
    9    HB2  ALA   2           HB2      ALA   2  29.659  -7.554   0.174
   10    HB3  ALA   2           HB3      ALA   2  30.276  -6.190  -0.758
   11    H    MET   3           HN       MET   3  29.210  -8.399  -3.696
   12    HA   MET   3           HA       MET   3  30.155  -6.156  -5.205
   13    HB2  MET   3           HB2      MET   3  29.667  -9.007  -6.087
   14    HB3  MET   3           HB1      MET   3  30.560  -7.795  -6.990
   15    HG2  MET   3           HG2      MET   3  31.332  -8.889  -4.297
   16    HG3  MET   3           HG1      MET   3  32.033  -9.363  -5.842
   17    HE1  MET   3           HE1      MET   3  34.887  -7.306  -4.077
   18    HE2  MET   3           HE2      MET   3  34.447  -8.856  -4.793
   19    HE3  MET   3           HE3      MET   3  33.696  -8.337  -3.285
   20    H    GLU   4           HN       GLU   4  27.237  -8.115  -5.179
   21    HA   GLU   4           HA       GLU   4  26.227  -6.959  -7.611
   22    HB2  GLU   4           HB2      GLU   4  24.178  -8.237  -7.114
   23    HB3  GLU   4           HB1      GLU   4  25.622  -9.236  -7.056
   24    HG2  GLU   4           HG2      GLU   4  25.612  -9.109  -4.618
   25    HG3  GLU   4           HG1      GLU   4  24.161  -8.110  -4.678
   26    H    GLY   5           HN       GLY   5  26.166  -6.107  -4.294
   27    HA2  GLY   5           HA2      GLY   5  25.524  -3.729  -3.942
   28    HA3  GLY   5           HA1      GLY   5  24.073  -4.101  -4.862
   29    H    GLN   6           HN       GLN   6  24.527  -3.149  -2.040
   30    HA   GLN   6           HA       GLN   6  23.694  -5.364  -0.397
   31    HB2  GLN   6           HB2      GLN   6  23.903  -2.425   0.267
   32    HB3  GLN   6           HB1      GLN   6  23.631  -3.717   1.428
   33    HG2  GLN   6           HG2      GLN   6  25.816  -4.686   0.800
   34    HG3  GLN   6           HG1      GLN   6  26.086  -3.304  -0.261
   35   HE21  GLN   6          HE21      GLN   6  25.911  -4.409   3.020
   36   HE22  GLN   6          HE22      GLN   6  26.581  -2.989   3.747
   37    H    GLN   7           HN       GLN   7  22.249  -2.166  -1.039
   38    HA   GLN   7           HA       GLN   7  19.733  -3.215  -1.768
   39    HB2  GLN   7           HB2      GLN   7  19.647  -3.751   0.650
   40    HB3  GLN   7           HB1      GLN   7  19.871  -2.046   1.017
   41    HG2  GLN   7           HG2      GLN   7  17.766  -1.506  -0.041
   42    HG3  GLN   7           HG1      GLN   7  17.551  -3.186  -0.525
   43   HE21  GLN   7          HE21      GLN   7  17.480  -0.930   2.113
   44   HE22  GLN   7          HE22      GLN   7  16.679  -1.967   3.242
   45    H    ASN   8           HN       ASN   8  20.114  -1.702  -3.420
   46    HA   ASN   8           HA       ASN   8  19.742   1.115  -2.694
   47    HB2  ASN   8           HB2      ASN   8  21.408   0.729  -4.421
   48    HB3  ASN   8           HB1      ASN   8  20.268  -0.228  -5.360
   49   HD21  ASN   8          HD21      ASN   8  21.179   2.976  -4.363
   50   HD22  ASN   8          HD22      ASN   8  20.229   3.824  -5.528
   51    H    LEU   9           HN       LEU   9  18.240  -1.555  -4.406
   52    HA   LEU   9           HA       LEU   9  15.706  -0.076  -4.457
   53    HB2  LEU   9           HB2      LEU   9  16.431  -1.084  -6.591
   54    HB3  LEU   9           HB1      LEU   9  16.482  -2.660  -5.823
   55    HG   LEU   9           HG       LEU   9  14.031  -2.491  -5.418
   56   HD11  LEU   9          HD11      LEU   9  14.266  -0.031  -7.142
   57   HD12  LEU   9          HD12      LEU   9  13.800  -0.076  -5.442
   58   HD13  LEU   9          HD13      LEU   9  12.759  -0.809  -6.662
   59   HD21  LEU   9          HD21      LEU   9  14.886  -2.228  -8.297
   60   HD22  LEU   9          HD22      LEU   9  13.386  -2.951  -7.717
   61   HD23  LEU   9          HD23      LEU   9  14.934  -3.706  -7.339
   62    H    ALA  10           HN       ALA  10  14.677  -0.331  -2.580
   63    HA   ALA  10           HA       ALA  10  15.037  -2.431  -0.769
   64    HB1  ALA  10           HB1      ALA  10  13.056  -1.572   0.364
   65    HB2  ALA  10           HB2      ALA  10  12.655  -0.604  -1.056
   66    HB3  ALA  10           HB3      ALA  10  14.118  -0.255  -0.135
   67    HA   PRO  11           HA       PRO  11  12.806  -5.670  -2.754
   68    HB2  PRO  11           HB2      PRO  11  12.579  -7.368  -0.657
   69    HB3  PRO  11           HB1      PRO  11  14.106  -7.090  -1.501
   70    HG2  PRO  11           HG2      PRO  11  13.128  -5.923   1.076
   71    HG3  PRO  11           HG1      PRO  11  14.738  -6.543   0.669
   72    HD2  PRO  11           HD2      PRO  11  14.145  -3.898   0.685
   73    HD3  PRO  11           HD1      PRO  11  15.351  -4.606  -0.406
   74    H    GLY  12           HN       GLY  12  11.000  -3.925  -2.727
   75    HA2  GLY  12           HA2      GLY  12   8.660  -4.020  -2.865
   76    HA3  GLY  12           HA1      GLY  12   8.661  -5.287  -1.649
   77    H    ALA  13           HN       ALA  13  10.569  -3.402  -0.092
   78    HA   ALA  13           HA       ALA  13   8.405  -2.113   1.357
   79    HB1  ALA  13           HB1      ALA  13  10.062  -1.730   3.100
   80    HB2  ALA  13           HB2      ALA  13  11.337  -2.321   2.034
   81    HB3  ALA  13           HB3      ALA  13  10.074  -3.418   2.590
   82    H    ARG  14           HN       ARG  14   8.081  -0.617  -0.486
   83    HA   ARG  14           HA       ARG  14   9.179   1.928   0.117
   84    HB2  ARG  14           HB2      ARG  14  11.077   1.084  -1.178
   85    HB3  ARG  14           HB1      ARG  14  10.005   0.664  -2.506
   86    HG2  ARG  14           HG2      ARG  14   9.509   2.993  -2.897
   87    HG3  ARG  14           HG1      ARG  14  10.466   3.460  -1.489
   88    HD2  ARG  14           HD2      ARG  14  11.574   1.993  -3.874
   89    HD3  ARG  14           HD1      ARG  14  11.629   3.744  -3.681
   90    HE   ARG  14           HE       ARG  14  12.760   2.810  -1.390
   91   HH11  ARG  14          HH11      ARG  14  13.370   2.246  -4.791
   92   HH12  ARG  14          HH12      ARG  14  15.079   2.028  -4.580
   93   HH21  ARG  14          HH21      ARG  14  15.002   2.505  -1.105
   94   HH22  ARG  14          HH22      ARG  14  16.008   2.157  -2.482
   95    H    CYS  15           HN       CYS  15   7.811   3.496  -0.535
   96    HA   CYS  15           HA       CYS  15   5.370   2.714  -1.862
   97    HB2  CYS  15           HB2      CYS  15   5.132   4.169   0.002
   98    HB3  CYS  15           HB1      CYS  15   6.389   5.245  -0.584
   99    H    GLY  16           HN       GLY  16   5.479   2.483  -4.008
  100    HA2  GLY  16           HA2      GLY  16   7.469   3.778  -5.596
  101    HA3  GLY  16           HA1      GLY  16   6.188   2.733  -6.185
  102    H    VAL  17           HN       VAL  17   4.436   4.786  -4.547
  103    HA   VAL  17           HA       VAL  17   3.562   6.240  -6.814
  104    HB   VAL  17           HB       VAL  17   2.962   6.855  -3.918
  105   HG11  VAL  17          HG11      VAL  17   0.863   7.781  -4.826
  106   HG12  VAL  17          HG12      VAL  17   1.455   7.471  -6.458
  107   HG13  VAL  17          HG13      VAL  17   2.289   8.630  -5.423
  108   HG21  VAL  17          HG21      VAL  17   2.486   4.512  -4.390
  109   HG22  VAL  17          HG22      VAL  17   1.531   4.977  -5.798
  110   HG23  VAL  17          HG23      VAL  17   0.991   5.423  -4.179
  111    H    CYS  18           HN       CYS  18   5.852   6.898  -4.279
  112    HA   CYS  18           HA       CYS  18   6.369   9.524  -5.504
  113    HB2  CYS  18           HB2      CYS  18   7.073  10.357  -3.303
  114    HB3  CYS  18           HB1      CYS  18   5.393   9.830  -3.281
  115    H    GLY  19           HN       GLY  19   7.700   6.643  -3.987
  116    HA2  GLY  19           HA2      GLY  19   9.723   5.726  -5.006
  117    HA3  GLY  19           HA1      GLY  19  10.326   7.373  -5.127
  118    H    ASP  20           HN       ASP  20   8.849   7.428  -2.276
  119    HA   ASP  20           HA       ASP  20  11.326   6.774  -0.843
  120    HB2  ASP  20           HB2      ASP  20   9.001   8.562  -0.124
  121    HB3  ASP  20           HB1      ASP  20  10.272   8.140   1.016
  122    H    GLY  21           HN       GLY  21  11.355   5.435   0.924
  123    HA2  GLY  21           HA2      GLY  21   8.854   3.971   1.486
  124    HA3  GLY  21           HA1      GLY  21  10.472   3.330   1.746
  125    H    THR  22           HN       THR  22  10.502   6.498   2.613
  126    HA   THR  22           HA       THR  22  10.858   6.026   5.356
  127    HB   THR  22           HB       THR  22  10.152   8.659   4.047
  128    HG1  THR  22           HG1      THR  22  12.319   8.873   3.600
  129   HG21  THR  22          HG21      THR  22  11.708   8.018   6.559
  130   HG22  THR  22          HG22      THR  22  10.081   8.699   6.491
  131   HG23  THR  22          HG23      THR  22  11.452   9.631   5.888
  132    H    ASP  23           HN       ASP  23   9.399   5.642   6.875
  133    HA   ASP  23           HA       ASP  23   7.442   5.455   8.000
  134    HB2  ASP  23           HB2      ASP  23   7.739   7.904   8.194
  135    HB3  ASP  23           HB1      ASP  23   6.833   8.126   6.704
  136    H    VAL  24           HN       VAL  24   7.425   3.858   5.970
  137    HA   VAL  24           HA       VAL  24   5.192   4.403   4.196
  138    HB   VAL  24           HB       VAL  24   7.431   3.372   3.477
  139   HG11  VAL  24          HG11      VAL  24   7.587   0.944   3.582
  140   HG12  VAL  24          HG12      VAL  24   6.144   0.897   4.595
  141   HG13  VAL  24          HG13      VAL  24   7.613   1.671   5.190
  142   HG21  VAL  24          HG21      VAL  24   4.891   2.005   2.649
  143   HG22  VAL  24          HG22      VAL  24   6.389   2.101   1.721
  144   HG23  VAL  24          HG23      VAL  24   5.461   3.563   2.054
  145    H    LEU  25           HN       LEU  25   3.335   3.143   4.065
  146    HA   LEU  25           HA       LEU  25   2.733   1.619   6.492
  147    HB2  LEU  25           HB2      LEU  25   0.930   2.851   4.407
  148    HB3  LEU  25           HB1      LEU  25   0.358   1.875   5.749
  149    HG   LEU  25           HG       LEU  25   1.870   4.473   6.051
  150   HD11  LEU  25          HD11      LEU  25  -1.079   3.900   6.287
  151   HD12  LEU  25          HD12      LEU  25  -0.295   4.870   5.039
  152   HD13  LEU  25          HD13      LEU  25  -0.291   5.418   6.715
  153   HD21  LEU  25          HD21      LEU  25   2.153   2.976   7.942
  154   HD22  LEU  25          HD22      LEU  25   0.407   2.750   8.047
  155   HD23  LEU  25          HD23      LEU  25   1.113   4.331   8.381
  156    H    ARG  26           HN       ARG  26   1.306  -0.284   6.204
  157    HA   ARG  26           HA       ARG  26   1.931  -1.798   3.758
  158    HB2  ARG  26           HB2      ARG  26   3.555  -2.222   5.685
  159    HB3  ARG  26           HB1      ARG  26   2.197  -2.904   6.563
  160    HG2  ARG  26           HG2      ARG  26   3.244  -4.762   5.688
  161    HG3  ARG  26           HG1      ARG  26   1.951  -4.463   4.525
  162    HD2  ARG  26           HD2      ARG  26   3.473  -3.421   3.002
  163    HD3  ARG  26           HD1      ARG  26   4.769  -3.451   4.196
  164    HE   ARG  26           HE       ARG  26   3.713  -6.049   3.532
  165   HH11  ARG  26          HH11      ARG  26   6.096  -3.613   2.720
  166   HH12  ARG  26          HH12      ARG  26   7.154  -4.736   1.928
  167   HH21  ARG  26          HH21      ARG  26   5.116  -7.528   2.513
  168   HH22  ARG  26          HH22      ARG  26   6.599  -6.957   1.811
  169    H    CYS  27           HN       CYS  27   0.164  -3.016   3.058
  170    HA   CYS  27           HA       CYS  27  -2.310  -2.663   4.392
  171    HB2  CYS  27           HB2      CYS  27  -2.143  -3.129   1.918
  172    HB3  CYS  27           HB1      CYS  27  -1.762  -4.818   2.309
  173    H    THR  28           HN       THR  28  -3.467  -3.979   5.711
  174    HA   THR  28           HA       THR  28  -1.991  -5.982   7.163
  175    HB   THR  28           HB       THR  28  -4.242  -6.188   8.397
  176    HG1  THR  28           HG1      THR  28  -4.812  -3.672   7.256
  177   HG21  THR  28          HG21      THR  28  -3.836  -4.130   9.659
  178   HG22  THR  28          HG22      THR  28  -2.816  -3.523   8.355
  179   HG23  THR  28          HG23      THR  28  -2.317  -4.941   9.275
  180    H    HIS  29           HN       HIS  29  -4.059  -5.946   4.471
  181    HA   HIS  29           HA       HIS  29  -4.633  -8.819   4.785
  182    HB2  HIS  29           HB2      HIS  29  -6.048  -6.705   3.159
  183    HB3  HIS  29           HB1      HIS  29  -6.371  -8.427   2.997
  184    HD1  HIS  29           HD1      HIS  29  -8.625  -6.540   3.861
  185    HD2  HIS  29           HD2      HIS  29  -6.140  -8.565   6.510
  186    HE1  HIS  29           HE1      HIS  29  -9.895  -6.661   6.027
  187    HE2  HIS  29           HE2      HIS  29  -8.306  -7.747   7.652
  188    H    CYS  30           HN       CYS  30  -2.647  -6.673   3.208
  189    HA   CYS  30           HA       CYS  30  -1.986  -8.658   1.158
  190    HB2  CYS  30           HB2      CYS  30  -2.137  -5.717   0.508
  191    HB3  CYS  30           HB1      CYS  30  -1.916  -7.058  -0.605
  192    H    ALA  31           HN       ALA  31   0.091  -7.964   0.048
  193    HA   ALA  31           HA       ALA  31   1.900  -6.721   1.985
  194    HB1  ALA  31           HB1      ALA  31   2.543  -8.481  -0.381
  195    HB2  ALA  31           HB2      ALA  31   2.555  -8.976   1.312
  196    HB3  ALA  31           HB3      ALA  31   3.720  -7.786   0.732
  197    H    ALA  32           HN       ALA  32   2.135  -4.634   1.598
  198    HA   ALA  32           HA       ALA  32   3.029  -3.659  -0.923
  199    HB1  ALA  32           HB1      ALA  32   0.252  -2.836  -0.062
  200    HB2  ALA  32           HB2      ALA  32   0.640  -3.848  -1.453
  201    HB3  ALA  32           HB3      ALA  32   1.159  -2.162  -1.415
  202    H    ALA  33           HN       ALA  33   4.377  -2.091  -0.447
  203    HA   ALA  33           HA       ALA  33   4.051  -0.582   2.050
  204    HB1  ALA  33           HB1      ALA  33   6.361   0.092   1.726
  205    HB2  ALA  33           HB2      ALA  33   6.398  -0.723   0.163
  206    HB3  ALA  33           HB3      ALA  33   6.220  -1.664   1.643
  207    H    PHE  34           HN       PHE  34   2.940   1.232   1.856
  208    HA   PHE  34           HA       PHE  34   3.448   3.025  -0.376
  209    HB2  PHE  34           HB2      PHE  34   1.072   3.209  -0.968
  210    HB3  PHE  34           HB1      PHE  34   1.654   1.567  -1.217
  211    HD1  PHE  34           HD2      PHE  34   1.055  -0.208   0.436
  212    HD2  PHE  34           HD1      PHE  34  -0.692   3.672   0.528
  213    HE1  PHE  34           HE2      PHE  34  -0.772  -1.068   1.841
  214    HE2  PHE  34           HE1      PHE  34  -2.519   2.818   1.933
  215    HZ   PHE  34           HZ       PHE  34  -2.559   0.446   2.591
  216    H    HIS  35           HN       HIS  35   2.527   5.151  -0.022
  217    HA   HIS  35           HA       HIS  35   2.014   5.711   2.807
  218    HB2  HIS  35           HB2      HIS  35   2.557   7.584   0.492
  219    HB3  HIS  35           HB1      HIS  35   2.235   8.106   2.139
  220    HD2  HIS  35           HD2      HIS  35   4.269   6.041   3.666
  221    HE1  HIS  35           HE1      HIS  35   7.164   7.881   1.188
  222    HE2  HIS  35           HE2      HIS  35   6.766   6.717   3.410
  223    H    TRP  36           HN       TRP  36   0.088   6.323   3.524
  224    HA   TRP  36           HA       TRP  36  -2.248   5.976   1.977
  225    HB2  TRP  36           HB2      TRP  36  -2.091   5.704   4.454
  226    HB3  TRP  36           HB1      TRP  36  -1.923   7.445   4.604
  227    HD1  TRP  36           HD1      TRP  36  -4.097   8.830   4.729
  228    HE1  TRP  36           HE1      TRP  36  -6.599   8.269   4.600
  229    HE3  TRP  36           HE3      TRP  36  -3.762   3.976   3.171
  230    HZ2  TRP  36           HZ2      TRP  36  -8.226   6.066   3.908
  231    HZ3  TRP  36           HZ3      TRP  36  -5.838   2.712   2.799
  232    HH2  TRP  36           HH2      TRP  36  -8.022   3.736   3.158
  233    H    ARG  37           HN       ARG  37  -0.285   8.741   2.807
  234    HA   ARG  37           HA       ARG  37  -2.060  10.724   1.789
  235    HB2  ARG  37           HB2      ARG  37   0.910  10.762   2.325
  236    HB3  ARG  37           HB1      ARG  37  -0.013  12.176   1.833
  237    HG2  ARG  37           HG2      ARG  37  -1.310  12.108   3.838
  238    HG3  ARG  37           HG1      ARG  37  -0.600  10.562   4.303
  239    HD2  ARG  37           HD2      ARG  37   1.562  11.592   4.569
  240    HD3  ARG  37           HD1      ARG  37   0.944  13.129   3.969
  241    HE   ARG  37           HE       ARG  37  -0.643  12.722   6.068
  242   HH11  ARG  37          HH11      ARG  37   2.827  12.410   5.747
  243   HH12  ARG  37          HH12      ARG  37   3.147  12.857   7.394
  244   HH21  ARG  37          HH21      ARG  37  -0.231  13.319   8.231
  245   HH22  ARG  37          HH22      ARG  37   1.403  13.380   8.808
  246    H    CYS  38           HN       CYS  38   0.362   8.655   0.367
  247    HA   CYS  38           HA       CYS  38   0.433  10.096  -2.125
  248    HB2  CYS  38           HB2      CYS  38   1.577   7.456  -1.239
  249    HB3  CYS  38           HB1      CYS  38   1.655   7.985  -2.913
  250    H    HIS  39           HN       HIS  39  -1.484   7.627  -0.711
  251    HA   HIS  39           HA       HIS  39  -2.578   6.751  -3.257
  252    HB2  HIS  39           HB2      HIS  39  -2.784   5.874  -0.429
  253    HB3  HIS  39           HB1      HIS  39  -4.178   5.563  -1.455
  254    HD1  HIS  39           HD1      HIS  39  -4.055   3.172  -2.009
  255    HD2  HIS  39           HD2      HIS  39  -0.354   5.022  -2.344
  256    HE1  HIS  39           HE1      HIS  39  -2.492   1.397  -2.867
  257    HE2  HIS  39           HE2      HIS  39  -0.321   2.606  -3.270
  258    H    PHE  40           HN       PHE  40  -3.597   8.515  -0.372
  259    HA   PHE  40           HA       PHE  40  -5.944   9.465  -1.873
  260    HB2  PHE  40           HB2      PHE  40  -5.711   8.831   1.076
  261    HB3  PHE  40           HB1      PHE  40  -7.111   9.600   0.327
  262    HD1  PHE  40           HD2      PHE  40  -8.596   8.330  -1.122
  263    HD2  PHE  40           HD1      PHE  40  -5.263   6.495   0.778
  264    HE1  PHE  40           HE2      PHE  40  -9.543   6.115  -1.614
  265    HE2  PHE  40           HE1      PHE  40  -6.203   4.277   0.289
  266    HZ   PHE  40           HZ       PHE  40  -8.335   4.085  -0.940
  267    HA   PRO  41           HA       PRO  41  -3.355  13.119  -0.683
  268    HB2  PRO  41           HB2      PRO  41  -4.020  14.096  -3.351
  269    HB3  PRO  41           HB1      PRO  41  -2.433  13.783  -2.646
  270    HG2  PRO  41           HG2      PRO  41  -3.471  12.265  -4.632
  271    HG3  PRO  41           HG1      PRO  41  -2.382  11.614  -3.395
  272    HD2  PRO  41           HD2      PRO  41  -5.368  11.434  -3.570
  273    HD3  PRO  41           HD1      PRO  41  -4.190  10.182  -3.123
  274    H    ALA  42           HN       ALA  42  -6.546  12.497  -1.485
  275    HA   ALA  42           HA       ALA  42  -7.547  15.172  -1.601
  276    HB1  ALA  42           HB1      ALA  42  -9.019  12.592  -1.101
  277    HB2  ALA  42           HB2      ALA  42  -8.701  13.308  -2.681
  278    HB3  ALA  42           HB3      ALA  42  -9.746  14.140  -1.529
  279    H    GLY  43           HN       GLY  43  -6.408  13.303   0.930
  280    HA2  GLY  43           HA2      GLY  43  -6.193  14.214   3.114
  281    HA3  GLY  43           HA1      GLY  43  -7.657  15.144   2.840
  282    H    THR  44           HN       THR  44  -7.621  11.814   1.949
  283    HA   THR  44           HA       THR  44  -9.765  11.125   3.635
  284    HB   THR  44           HB       THR  44  -7.806   9.221   2.336
  285    HG1  THR  44           HG1      THR  44  -9.925   9.454   0.820
  286   HG21  THR  44          HG21      THR  44 -10.732   8.901   3.027
  287   HG22  THR  44          HG22      THR  44  -9.387   8.210   3.936
  288   HG23  THR  44          HG23      THR  44  -9.694   7.685   2.281
  289    H    SER  45           HN       SER  45  -9.833  10.041   5.575
  290    HA   SER  45           HA       SER  45  -7.391  10.088   7.147
  291    HB2  SER  45           HB2      SER  45 -10.218   9.400   7.991
  292    HB3  SER  45           HB1      SER  45  -8.857   9.746   9.060
  293    HG   SER  45           HG       SER  45 -10.460  11.469   7.588
  294    H    ARG  46           HN       ARG  46  -6.276   8.325   7.763
  295    HA   ARG  46           HA       ARG  46  -6.786   5.863   6.424
  296    HB2  ARG  46           HB2      ARG  46  -4.785   5.055   7.581
  297    HB3  ARG  46           HB1      ARG  46  -4.510   6.614   6.831
  298    HG2  ARG  46           HG2      ARG  46  -4.280   7.696   8.823
  299    HG3  ARG  46           HG1      ARG  46  -5.335   6.572   9.681
  300    HD2  ARG  46           HD2      ARG  46  -2.593   5.847   8.667
  301    HD3  ARG  46           HD1      ARG  46  -2.904   6.443  10.298
  302    HE   ARG  46           HE       ARG  46  -4.599   4.259   9.782
  303   HH11  ARG  46          HH11      ARG  46  -1.206   4.951  10.306
  304   HH12  ARG  46          HH12      ARG  46  -0.873   3.403  11.017
  305   HH21  ARG  46          HH21      ARG  46  -4.160   2.216  10.709
  306   HH22  ARG  46          HH22      ARG  46  -2.548   1.846  11.238
  307    HA   PRO  47           HA       PRO  47  -9.303   3.865   9.455
  308    HB2  PRO  47           HB2      PRO  47  -8.917   1.288   8.725
  309    HB3  PRO  47           HB1      PRO  47  -9.893   2.412   7.771
  310    HG2  PRO  47           HG2      PRO  47  -7.059   1.541   7.358
  311    HG3  PRO  47           HG1      PRO  47  -8.353   1.748   6.162
  312    HD2  PRO  47           HD2      PRO  47  -6.410   3.602   6.569
  313    HD3  PRO  47           HD1      PRO  47  -8.054   4.027   6.048
  314    H    GLY  48           HN       GLY  48  -9.153   2.829  11.407
  315    HA2  GLY  48           HA2      GLY  48  -6.436   2.151  12.314
  316    HA3  GLY  48           HA1      GLY  48  -7.777   2.606  13.357
  317    H    THR  49           HN       THR  49  -9.222   0.696  11.243
  318    HA   THR  49           HA       THR  49  -9.068  -1.641  12.963
  319    HB   THR  49           HB       THR  49 -10.901  -2.472  11.389
  320    HG1  THR  49           HG1      THR  49 -11.803  -0.244  10.445
  321   HG21  THR  49          HG21      THR  49 -11.406  -1.509  13.579
  322   HG22  THR  49          HG22      THR  49 -12.618  -1.032  12.391
  323   HG23  THR  49          HG23      THR  49 -11.369   0.111  12.886
  324    H    GLY  50           HN       GLY  50  -6.697  -1.317  11.784
  325    HA2  GLY  50           HA2      GLY  50  -5.177  -2.681  10.639
  326    HA3  GLY  50           HA1      GLY  50  -6.527  -3.466   9.826
  327    H    LEU  51           HN       LEU  51  -3.954  -1.541   9.295
  328    HA   LEU  51           HA       LEU  51  -4.971   0.469   7.609
  329    HB2  LEU  51           HB2      LEU  51  -2.621   0.217   8.642
  330    HB3  LEU  51           HB1      LEU  51  -2.270  -0.819   7.275
  331    HG   LEU  51           HG       LEU  51  -1.493   1.571   7.068
  332   HD11  LEU  51          HD11      LEU  51  -1.724   0.145   5.111
  333   HD12  LEU  51          HD12      LEU  51  -2.169   1.811   4.741
  334   HD13  LEU  51          HD13      LEU  51  -3.425   0.595   4.974
  335   HD21  LEU  51          HD21      LEU  51  -3.101   3.278   6.515
  336   HD22  LEU  51          HD22      LEU  51  -3.484   2.602   8.098
  337   HD23  LEU  51          HD23      LEU  51  -4.428   2.133   6.683
  338    H    ARG  52           HN       ARG  52  -5.744   0.387   5.618
  339    HA   ARG  52           HA       ARG  52  -5.626  -2.197   4.219
  340    HB2  ARG  52           HB2      ARG  52  -7.786  -0.079   4.147
  341    HB3  ARG  52           HB1      ARG  52  -7.821  -1.611   3.282
  342    HG2  ARG  52           HG2      ARG  52  -7.919  -2.839   5.342
  343    HG3  ARG  52           HG1      ARG  52  -7.699  -1.359   6.278
  344    HD2  ARG  52           HD2      ARG  52  -9.826  -0.509   5.342
  345    HD3  ARG  52           HD1      ARG  52 -10.055  -2.060   4.534
  346    HE   ARG  52           HE       ARG  52  -9.627  -2.380   7.332
  347   HH11  ARG  52          HH11      ARG  52 -12.037  -1.462   4.978
  348   HH12  ARG  52          HH12      ARG  52 -13.378  -1.957   5.959
  349   HH21  ARG  52          HH21      ARG  52 -11.399  -3.033   8.643
  350   HH22  ARG  52          HH22      ARG  52 -13.013  -2.878   8.031
  351    H    CYS  53           HN       CYS  53  -5.151  -2.224   2.067
  352    HA   CYS  53           HA       CYS  53  -3.868   0.081   0.943
  353    HB2  CYS  53           HB2      CYS  53  -3.326  -1.348  -0.923
  354    HB3  CYS  53           HB1      CYS  53  -3.079  -2.264   0.556
  355    H    ARG  54           HN       ARG  54  -4.509   0.284  -1.642
  356    HA   ARG  54           HA       ARG  54  -6.923   1.734  -1.581
  357    HB2  ARG  54           HB2      ARG  54  -5.187   2.303  -3.170
  358    HB3  ARG  54           HB1      ARG  54  -5.313   0.725  -3.930
  359    HG2  ARG  54           HG2      ARG  54  -7.569   1.255  -4.682
  360    HG3  ARG  54           HG1      ARG  54  -7.458   2.837  -3.910
  361    HD2  ARG  54           HD2      ARG  54  -7.022   2.922  -6.339
  362    HD3  ARG  54           HD1      ARG  54  -5.652   3.472  -5.379
  363    HE   ARG  54           HE       ARG  54  -5.574   0.683  -6.126
  364   HH11  ARG  54          HH11      ARG  54  -4.669   3.948  -6.997
  365   HH12  ARG  54          HH12      ARG  54  -3.349   3.450  -8.006
  366   HH21  ARG  54          HH21      ARG  54  -3.841   0.022  -7.462
  367   HH22  ARG  54          HH22      ARG  54  -2.892   1.220  -8.281
  368    H    SER  55           HN       SER  55  -6.132  -1.463  -2.885
  369    HA   SER  55           HA       SER  55  -8.648  -1.979  -4.028
  370    HB2  SER  55           HB2      SER  55  -6.632  -3.250  -4.620
  371    HB3  SER  55           HB1      SER  55  -6.577  -3.932  -2.999
  372    HG   SER  55           HG       SER  55  -8.334  -5.144  -3.424
  373    H    CYS  56           HN       CYS  56  -7.338  -2.690  -0.807
  374    HA   CYS  56           HA       CYS  56  -9.643  -4.087   0.096
  375    HB2  CYS  56           HB2      CYS  56  -7.343  -2.802   1.550
  376    HB3  CYS  56           HB1      CYS  56  -8.676  -3.569   2.406
  377    H    SER  57           HN       SER  57  -8.707  -0.699   0.105
  378    HA   SER  57           HA       SER  57 -10.880   0.101   1.801
  379    HB2  SER  57           HB2      SER  57  -8.652   1.346   1.422
  380    HB3  SER  57           HB1      SER  57  -9.378   1.924  -0.077
  381    HG   SER  57           HG       SER  57 -10.407   3.346   1.064
  382    H    GLY  58           HN       GLY  58 -10.545  -0.761  -1.453
  383    HA2  GLY  58           HA2      GLY  58 -12.179  -1.082  -3.036
  384    HA3  GLY  58           HA1      GLY  58 -13.349  -0.447  -1.892
  385    H    ASP  59           HN       ASP  59 -14.321   1.296  -2.523
  386    HA   ASP  59           HA       ASP  59 -12.865   3.431  -3.849
  387    HB2  ASP  59           HB2      ASP  59 -13.712   2.062  -5.714
  388    HB3  ASP  59           HB1      ASP  59 -15.341   2.166  -5.054
  389    H    VAL  60           HN       VAL  60 -13.265   4.992  -2.407
  390    HA   VAL  60           HA       VAL  60 -16.017   5.284  -1.411
  391    HB   VAL  60           HB       VAL  60 -13.565   6.549  -0.186
  392   HG11  VAL  60          HG11      VAL  60 -15.715   7.564   0.392
  393   HG12  VAL  60          HG12      VAL  60 -14.985   6.767   1.786
  394   HG13  VAL  60          HG13      VAL  60 -16.315   5.993   0.924
  395   HG21  VAL  60          HG21      VAL  60 -13.251   4.138  -0.143
  396   HG22  VAL  60          HG22      VAL  60 -14.859   3.924   0.548
  397   HG23  VAL  60          HG23      VAL  60 -13.601   4.739   1.477
  398    H    THR  61           HN       THR  61 -16.192   6.199  -3.684
  399    HA   THR  61           HA       THR  61 -15.180   8.867  -4.076
  400    HB   THR  61           HB       THR  61 -17.266   7.355  -5.672
  401    HG1  THR  61           HG1      THR  61 -15.554   6.151  -6.113
  402   HG21  THR  61          HG21      THR  61 -15.529   9.716  -6.412
  403   HG22  THR  61          HG22      THR  61 -17.264   9.770  -6.097
  404   HG23  THR  61          HG23      THR  61 -16.647   8.878  -7.490
  405    HA   PRO  62           HA       PRO  62 -18.567  10.791  -1.866
  406    HB2  PRO  62           HB2      PRO  62 -18.108  13.333  -2.786
  407    HB3  PRO  62           HB1      PRO  62 -17.210  12.595  -1.456
  408    HG2  PRO  62           HG2      PRO  62 -16.443  12.883  -4.332
  409    HG3  PRO  62           HG1      PRO  62 -15.448  13.091  -2.879
  410    HD2  PRO  62           HD2      PRO  62 -15.343  10.858  -4.384
  411    HD3  PRO  62           HD1      PRO  62 -15.123  10.821  -2.623
  412    H    ALA  63           HN       ALA  63 -20.650  11.281  -2.390
  413    HA   ALA  63           HA       ALA  63 -21.452  10.985  -5.134
  414    HB1  ALA  63           HB1      ALA  63 -22.771  10.038  -3.283
  415    HB2  ALA  63           HB2      ALA  63 -23.719  11.136  -4.285
  416    HB3  ALA  63           HB3      ALA  63 -23.120  11.671  -2.716
  417    HA   PRO  64           HA       PRO  64 -21.306  15.371  -5.994
  418    HB2  PRO  64           HB2      PRO  64 -22.403  15.269  -8.468
  419    HB3  PRO  64           HB1      PRO  64 -20.738  14.779  -8.138
  420    HG2  PRO  64           HG2      PRO  64 -23.176  13.090  -8.499
  421    HG3  PRO  64           HG1      PRO  64 -21.528  12.822  -9.091
  422    HD2  PRO  64           HD2      PRO  64 -22.561  11.584  -6.892
  423    HD3  PRO  64           HD1      PRO  64 -20.833  11.913  -7.109
  424    H    VAL  65           HN       VAL  65 -23.307  14.674  -4.261
  425    HA   VAL  65           HA       VAL  65 -25.349  16.563  -5.060
  426    HB   VAL  65           HB       VAL  65 -26.382  14.500  -5.797
  427   HG11  VAL  65          HG11      VAL  65 -25.928  13.474  -3.001
  428   HG12  VAL  65          HG12      VAL  65 -25.137  12.900  -4.468
  429   HG13  VAL  65          HG13      VAL  65 -26.870  12.662  -4.250
  430   HG21  VAL  65          HG21      VAL  65 -28.428  14.544  -4.452
  431   HG22  VAL  65          HG22      VAL  65 -27.835  16.169  -4.795
  432   HG23  VAL  65          HG23      VAL  65 -27.580  15.456  -3.203
  433    H    GLU  66           HN       GLU  66 -25.729  17.892  -3.402
  434    HA   GLU  66           HA       GLU  66 -24.700  17.093  -0.776
  435    HB2  GLU  66           HB2      GLU  66 -25.281  19.829  -1.918
  436    HB3  GLU  66           HB1      GLU  66 -24.704  19.532  -0.285
  437    HG2  GLU  66           HG2      GLU  66 -23.226  18.783  -2.796
  438    HG3  GLU  66           HG1      GLU  66 -22.931  20.235  -1.842
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   9.519 -22.812 -17.520
    2    H2   GLY   1           HT2      GLY   1   9.959 -21.986 -16.115
    3    H3   GLY   1           HT3      GLY   1  10.603 -21.516 -17.602
    4    HA2  GLY   1           HA1      GLY   1   8.394 -20.869 -18.369
    5    HA3  GLY   1           HA2      GLY   1   7.755 -21.325 -16.796
    6    H    ALA   2           HN       ALA   2   7.204 -18.841 -17.455
    7    HA   ALA   2           HA       ALA   2   9.333 -17.043 -16.637
    8    HB1  ALA   2           HB1      ALA   2   7.912 -16.426 -18.526
    9    HB2  ALA   2           HB2      ALA   2   7.777 -15.255 -17.216
   10    HB3  ALA   2           HB3      ALA   2   6.499 -16.442 -17.472
   11    H    MET   3           HN       MET   3   9.005 -18.491 -14.503
   12    HA   MET   3           HA       MET   3   7.722 -16.688 -12.622
   13    HB2  MET   3           HB2      MET   3   6.517 -18.496 -11.458
   14    HB3  MET   3           HB1      MET   3   5.921 -18.243 -13.092
   15    HG2  MET   3           HG2      MET   3   7.178 -20.183 -13.860
   16    HG3  MET   3           HG1      MET   3   7.801 -20.431 -12.231
   17    HE1  MET   3           HE1      MET   3   4.139 -19.352 -13.308
   18    HE2  MET   3           HE2      MET   3   3.371 -20.933 -13.443
   19    HE3  MET   3           HE3      MET   3   4.665 -20.483 -14.552
   20    H    GLU   4           HN       GLU   4  10.432 -17.286 -13.223
   21    HA   GLU   4           HA       GLU   4  11.392 -18.975 -11.066
   22    HB2  GLU   4           HB2      GLU   4  12.857 -17.387 -13.178
   23    HB3  GLU   4           HB1      GLU   4  13.642 -18.407 -11.983
   24    HG2  GLU   4           HG2      GLU   4  11.679 -19.338 -14.065
   25    HG3  GLU   4           HG1      GLU   4  13.431 -19.527 -14.138
   26    H    GLY   5           HN       GLY   5  10.042 -17.102  -9.844
   27    HA2  GLY   5           HA2      GLY   5  10.945 -16.032  -7.803
   28    HA3  GLY   5           HA1      GLY   5  12.082 -15.208  -8.860
   29    H    GLN   6           HN       GLN   6  11.404 -13.172  -8.196
   30    HA   GLN   6           HA       GLN   6   8.862 -12.318  -9.371
   31    HB2  GLN   6           HB2      GLN   6   8.614 -12.629  -6.889
   32    HB3  GLN   6           HB1      GLN   6   9.854 -11.408  -6.659
   33    HG2  GLN   6           HG2      GLN   6   7.664 -10.446  -6.349
   34    HG3  GLN   6           HG1      GLN   6   8.436  -9.757  -7.775
   35   HE21  GLN   6          HE21      GLN   6   7.008 -12.951  -7.748
   36   HE22  GLN   6          HE22      GLN   6   5.672 -12.567  -8.778
   37    H    GLN   7           HN       GLN   7  10.782 -11.978 -10.911
   38    HA   GLN   7           HA       GLN   7  12.031 -10.531 -12.127
   39    HB2  GLN   7           HB2      GLN   7  10.719  -8.414 -10.422
   40    HB3  GLN   7           HB1      GLN   7  11.541  -8.140 -11.948
   41    HG2  GLN   7           HG2      GLN   7   9.015  -9.719 -11.534
   42    HG3  GLN   7           HG1      GLN   7   9.146  -8.117 -12.252
   43   HE21  GLN   7          HE21      GLN   7  11.550  -8.744 -13.750
   44   HE22  GLN   7          HE22      GLN   7  11.059  -9.774 -15.051
   45    H    ASN   8           HN       ASN   8  13.317 -11.748 -10.044
   46    HA   ASN   8           HA       ASN   8  15.169 -11.704  -8.736
   47    HB2  ASN   8           HB2      ASN   8  16.058 -10.685 -10.905
   48    HB3  ASN   8           HB1      ASN   8  15.921  -9.122 -10.109
   49   HD21  ASN   8          HD21      ASN   8  17.313  -8.623  -8.409
   50   HD22  ASN   8          HD22      ASN   8  18.745  -9.543  -8.091
   51    H    LEU   9           HN       LEU   9  13.374 -11.138  -7.156
   52    HA   LEU   9           HA       LEU   9  12.583 -10.041  -5.350
   53    HB2  LEU   9           HB2      LEU   9  14.898 -10.632  -4.704
   54    HB3  LEU   9           HB1      LEU   9  15.420  -9.037  -5.204
   55    HG   LEU   9           HG       LEU   9  13.984  -8.028  -3.473
   56   HD11  LEU   9          HD11      LEU   9  12.263  -9.721  -3.324
   57   HD12  LEU   9          HD12      LEU   9  12.997  -9.466  -1.742
   58   HD13  LEU   9          HD13      LEU   9  13.427 -10.885  -2.695
   59   HD21  LEU   9          HD21      LEU   9  15.317  -8.721  -1.544
   60   HD22  LEU   9          HD22      LEU   9  16.319  -8.502  -2.980
   61   HD23  LEU   9          HD23      LEU   9  15.889 -10.126  -2.445
   62    H    ALA  10           HN       ALA  10  11.475  -8.730  -7.162
   63    HA   ALA  10           HA       ALA  10  12.151  -6.052  -7.627
   64    HB1  ALA  10           HB1      ALA  10   9.786  -5.744  -8.202
   65    HB2  ALA  10           HB2      ALA  10   9.408  -7.305  -7.477
   66    HB3  ALA  10           HB3      ALA  10  10.433  -7.224  -8.908
   67    HA   PRO  11           HA       PRO  11  11.449  -4.205  -3.672
   68    HB2  PRO  11           HB2      PRO  11  11.088  -1.629  -4.433
   69    HB3  PRO  11           HB1      PRO  11  12.669  -2.420  -4.440
   70    HG2  PRO  11           HG2      PRO  11  10.780  -1.940  -6.711
   71    HG3  PRO  11           HG1      PRO  11  12.542  -1.747  -6.661
   72    HD2  PRO  11           HD2      PRO  11  11.335  -3.916  -7.755
   73    HD3  PRO  11           HD1      PRO  11  12.922  -3.999  -6.962
   74    H    GLY  12           HN       GLY  12   9.361  -5.455  -3.644
   75    HA2  GLY  12           HA2      GLY  12   6.922  -4.192  -4.385
   76    HA3  GLY  12           HA1      GLY  12   7.092  -5.547  -3.276
   77    H    ALA  13           HN       ALA  13   8.926  -4.132  -1.524
   78    HA   ALA  13           HA       ALA  13   6.973  -2.647   0.006
   79    HB1  ALA  13           HB1      ALA  13   8.751  -2.538   1.710
   80    HB2  ALA  13           HB2      ALA  13   9.856  -3.325   0.584
   81    HB3  ALA  13           HB3      ALA  13   8.435  -4.187   1.173
   82    H    ARG  14           HN       ARG  14   6.793  -0.993  -1.699
   83    HA   ARG  14           HA       ARG  14   8.435   1.282  -1.057
   84    HB2  ARG  14           HB2      ARG  14   9.622  -0.115  -2.911
   85    HB3  ARG  14           HB1      ARG  14   8.354   0.496  -3.963
   86    HG2  ARG  14           HG2      ARG  14  10.205   1.922  -4.256
   87    HG3  ARG  14           HG1      ARG  14   9.055   2.815  -3.257
   88    HD2  ARG  14           HD2      ARG  14  10.308   2.222  -1.255
   89    HD3  ARG  14           HD1      ARG  14  11.433   1.274  -2.223
   90    HE   ARG  14           HE       ARG  14  11.332   3.944  -3.166
   91   HH11  ARG  14          HH11      ARG  14  12.609   1.984  -0.557
   92   HH12  ARG  14          HH12      ARG  14  13.903   3.078  -0.193
   93   HH21  ARG  14          HH21      ARG  14  13.035   5.388  -2.700
   94   HH22  ARG  14          HH22      ARG  14  14.147   5.026  -1.416
   95    H    CYS  15           HN       CYS  15   7.170   3.054  -1.141
   96    HA   CYS  15           HA       CYS  15   4.477   2.884  -2.111
   97    HB2  CYS  15           HB2      CYS  15   4.967   4.195  -0.138
   98    HB3  CYS  15           HB1      CYS  15   6.162   5.142  -1.005
   99    H    GLY  16           HN       GLY  16   4.173   2.814  -4.254
  100    HA2  GLY  16           HA2      GLY  16   6.206   3.681  -6.065
  101    HA3  GLY  16           HA1      GLY  16   4.668   2.956  -6.497
  102    H    VAL  17           HN       VAL  17   3.530   5.267  -4.725
  103    HA   VAL  17           HA       VAL  17   2.846   6.937  -6.914
  104    HB   VAL  17           HB       VAL  17   2.504   7.476  -3.964
  105   HG11  VAL  17          HG11      VAL  17   2.266   9.494  -5.313
  106   HG12  VAL  17          HG12      VAL  17   0.706   8.989  -4.662
  107   HG13  VAL  17          HG13      VAL  17   1.102   8.674  -6.352
  108   HG21  VAL  17          HG21      VAL  17   0.618   6.193  -5.936
  109   HG22  VAL  17          HG22      VAL  17   0.235   6.602  -4.264
  110   HG23  VAL  17          HG23      VAL  17   1.456   5.379  -4.614
  111    H    CYS  18           HN       CYS  18   5.208   7.187  -4.312
  112    HA   CYS  18           HA       CYS  18   6.129   9.723  -5.488
  113    HB2  CYS  18           HB2      CYS  18   7.060  10.290  -3.310
  114    HB3  CYS  18           HB1      CYS  18   5.346   9.921  -3.155
  115    H    GLY  19           HN       GLY  19   7.012   6.497  -4.529
  116    HA2  GLY  19           HA2      GLY  19   8.785   5.324  -5.591
  117    HA3  GLY  19           HA1      GLY  19   9.602   6.856  -5.855
  118    H    ASP  20           HN       ASP  20   8.373   6.848  -2.784
  119    HA   ASP  20           HA       ASP  20  11.008   6.127  -1.684
  120    HB2  ASP  20           HB2      ASP  20  10.489   8.483  -1.435
  121    HB3  ASP  20           HB1      ASP  20   8.934   8.098  -0.709
  122    H    GLY  21           HN       GLY  21  11.078   5.105   0.414
  123    HA2  GLY  21           HA2      GLY  21   8.555   3.784   1.199
  124    HA3  GLY  21           HA1      GLY  21  10.046   2.866   1.039
  125    H    THR  22           HN       THR  22  10.251   6.084   2.238
  126    HA   THR  22           HA       THR  22  11.261   5.145   4.779
  127    HB   THR  22           HB       THR  22  10.761   8.019   4.004
  128    HG1  THR  22           HG1      THR  22  12.048   7.509   2.357
  129   HG21  THR  22          HG21      THR  22  12.818   6.704   5.785
  130   HG22  THR  22          HG22      THR  22  11.400   7.600   6.328
  131   HG23  THR  22          HG23      THR  22  12.693   8.433   5.465
  132    H    ASP  23           HN       ASP  23  10.062   4.925   6.582
  133    HA   ASP  23           HA       ASP  23   8.249   4.874   7.959
  134    HB2  ASP  23           HB2      ASP  23   8.864   7.270   8.189
  135    HB3  ASP  23           HB1      ASP  23   7.761   7.652   6.881
  136    H    VAL  24           HN       VAL  24   7.753   3.389   5.957
  137    HA   VAL  24           HA       VAL  24   5.481   4.347   4.408
  138    HB   VAL  24           HB       VAL  24   7.544   3.185   3.421
  139   HG11  VAL  24          HG11      VAL  24   7.494   0.764   3.302
  140   HG12  VAL  24          HG12      VAL  24   6.103   0.731   4.384
  141   HG13  VAL  24          HG13      VAL  24   7.660   1.314   4.970
  142   HG21  VAL  24          HG21      VAL  24   4.813   2.183   2.693
  143   HG22  VAL  24          HG22      VAL  24   6.241   2.159   1.659
  144   HG23  VAL  24          HG23      VAL  24   5.542   3.697   2.160
  145    H    LEU  25           HN       LEU  25   3.460   3.395   4.451
  146    HA   LEU  25           HA       LEU  25   2.863   1.934   6.876
  147    HB2  LEU  25           HB2      LEU  25   1.036   2.949   4.695
  148    HB3  LEU  25           HB1      LEU  25   0.505   2.222   6.202
  149    HG   LEU  25           HG       LEU  25   1.973   4.837   5.883
  150   HD11  LEU  25          HD11      LEU  25  -0.083   5.811   6.733
  151   HD12  LEU  25          HD12      LEU  25  -0.818   4.210   6.824
  152   HD13  LEU  25          HD13      LEU  25  -0.383   4.893   5.258
  153   HD21  LEU  25          HD21      LEU  25   1.639   5.076   8.316
  154   HD22  LEU  25          HD22      LEU  25   2.731   3.756   7.903
  155   HD23  LEU  25          HD23      LEU  25   1.069   3.410   8.379
  156    H    ARG  26           HN       ARG  26   1.632  -0.013   6.895
  157    HA   ARG  26           HA       ARG  26   2.219  -1.725   4.572
  158    HB2  ARG  26           HB2      ARG  26   2.158  -2.419   7.514
  159    HB3  ARG  26           HB1      ARG  26   2.355  -3.590   6.219
  160    HG2  ARG  26           HG2      ARG  26   4.240  -1.322   6.827
  161    HG3  ARG  26           HG1      ARG  26   4.481  -3.012   7.274
  162    HD2  ARG  26           HD2      ARG  26   4.315  -1.879   4.486
  163    HD3  ARG  26           HD1      ARG  26   5.749  -2.524   5.284
  164    HE   ARG  26           HE       ARG  26   3.659  -4.453   5.179
  165   HH11  ARG  26          HH11      ARG  26   6.190  -2.972   3.269
  166   HH12  ARG  26          HH12      ARG  26   6.293  -4.298   2.156
  167   HH21  ARG  26          HH21      ARG  26   3.820  -6.203   3.728
  168   HH22  ARG  26          HH22      ARG  26   4.974  -6.139   2.429
  169    H    CYS  27           HN       CYS  27   0.618  -3.023   3.787
  170    HA   CYS  27           HA       CYS  27  -2.079  -2.498   4.598
  171    HB2  CYS  27           HB2      CYS  27  -1.322  -3.057   2.232
  172    HB3  CYS  27           HB1      CYS  27  -1.161  -4.735   2.760
  173    H    THR  28           HN       THR  28  -3.438  -3.755   5.805
  174    HA   THR  28           HA       THR  28  -2.166  -5.805   7.425
  175    HB   THR  28           HB       THR  28  -4.374  -5.775   8.658
  176    HG1  THR  28           HG1      THR  28  -4.927  -3.360   7.307
  177   HG21  THR  28          HG21      THR  28  -2.466  -4.486   9.457
  178   HG22  THR  28          HG22      THR  28  -3.959  -3.583   9.706
  179   HG23  THR  28          HG23      THR  28  -2.888  -3.161   8.372
  180    H    HIS  29           HN       HIS  29  -4.328  -5.580   4.755
  181    HA   HIS  29           HA       HIS  29  -5.357  -8.281   5.171
  182    HB2  HIS  29           HB2      HIS  29  -6.080  -6.134   3.175
  183    HB3  HIS  29           HB1      HIS  29  -6.745  -7.763   3.118
  184    HD1  HIS  29           HD1      HIS  29  -8.854  -8.088   4.374
  185    HD2  HIS  29           HD2      HIS  29  -6.712  -4.807   5.763
  186    HE1  HIS  29           HE1      HIS  29 -10.331  -6.987   6.085
  187    HE2  HIS  29           HE2      HIS  29  -9.043  -4.974   6.871
  188    H    CYS  30           HN       CYS  30  -2.975  -6.617   3.341
  189    HA   CYS  30           HA       CYS  30  -2.069  -9.144   2.281
  190    HB2  CYS  30           HB2      CYS  30  -2.135  -8.650   0.008
  191    HB3  CYS  30           HB1      CYS  30  -3.658  -7.969   0.562
  192    H    ALA  31           HN       ALA  31   0.010  -8.296   0.734
  193    HA   ALA  31           HA       ALA  31   1.602  -6.802   2.674
  194    HB1  ALA  31           HB1      ALA  31   2.423  -9.042   2.110
  195    HB2  ALA  31           HB2      ALA  31   3.560  -7.789   1.611
  196    HB3  ALA  31           HB3      ALA  31   2.526  -8.571   0.414
  197    H    ALA  32           HN       ALA  32   1.865  -4.718   2.236
  198    HA   ALA  32           HA       ALA  32   2.721  -3.836  -0.352
  199    HB1  ALA  32           HB1      ALA  32   0.311  -3.978  -0.769
  200    HB2  ALA  32           HB2      ALA  32   0.867  -2.304  -0.799
  201    HB3  ALA  32           HB3      ALA  32   0.008  -2.924   0.611
  202    H    ALA  33           HN       ALA  33   3.927  -2.074  -0.161
  203    HA   ALA  33           HA       ALA  33   3.830  -0.555   2.361
  204    HB1  ALA  33           HB1      ALA  33   6.107   0.121   1.878
  205    HB2  ALA  33           HB2      ALA  33   6.055  -0.724   0.332
  206    HB3  ALA  33           HB3      ALA  33   5.981  -1.637   1.839
  207    H    PHE  34           HN       PHE  34   3.014   1.428   2.280
  208    HA   PHE  34           HA       PHE  34   3.299   3.109  -0.043
  209    HB2  PHE  34           HB2      PHE  34   0.891   3.361  -0.452
  210    HB3  PHE  34           HB1      PHE  34   1.409   1.701  -0.726
  211    HD1  PHE  34           HD2      PHE  34   1.019   0.017   1.154
  212    HD2  PHE  34           HD1      PHE  34  -0.857   3.834   1.002
  213    HE1  PHE  34           HE2      PHE  34  -0.709  -0.775   2.711
  214    HE2  PHE  34           HE1      PHE  34  -2.586   3.046   2.560
  215    HZ   PHE  34           HZ       PHE  34  -2.515   0.740   3.414
  216    H    HIS  35           HN       HIS  35   2.753   5.292   0.400
  217    HA   HIS  35           HA       HIS  35   2.268   5.907   3.221
  218    HB2  HIS  35           HB2      HIS  35   2.790   7.787   0.900
  219    HB3  HIS  35           HB1      HIS  35   2.683   8.252   2.590
  220    HD2  HIS  35           HD2      HIS  35   4.773   6.096   3.874
  221    HE1  HIS  35           HE1      HIS  35   7.442   7.724   1.013
  222    HE2  HIS  35           HE2      HIS  35   7.254   6.604   3.287
  223    H    TRP  36           HN       TRP  36   0.345   6.534   3.955
  224    HA   TRP  36           HA       TRP  36  -1.993   6.244   2.432
  225    HB2  TRP  36           HB2      TRP  36  -1.840   6.052   4.919
  226    HB3  TRP  36           HB1      TRP  36  -1.680   7.801   5.008
  227    HD1  TRP  36           HD1      TRP  36  -3.875   9.220   4.871
  228    HE1  TRP  36           HE1      TRP  36  -6.374   8.621   4.785
  229    HE3  TRP  36           HE3      TRP  36  -3.476   4.215   3.932
  230    HZ2  TRP  36           HZ2      TRP  36  -7.968   6.330   4.357
  231    HZ3  TRP  36           HZ3      TRP  36  -5.534   2.888   3.694
  232    HH2  TRP  36           HH2      TRP  36  -7.735   3.928   3.904
  233    H    ARG  37           HN       ARG  37  -0.030   9.049   3.191
  234    HA   ARG  37           HA       ARG  37  -1.861  11.006   2.267
  235    HB2  ARG  37           HB2      ARG  37   1.139  11.078   2.580
  236    HB3  ARG  37           HB1      ARG  37   0.176  12.478   2.134
  237    HG2  ARG  37           HG2      ARG  37  -1.048  12.304   4.247
  238    HG3  ARG  37           HG1      ARG  37  -0.058  10.913   4.697
  239    HD2  ARG  37           HD2      ARG  37   0.747  12.984   5.735
  240    HD3  ARG  37           HD1      ARG  37   1.940  12.289   4.643
  241    HE   ARG  37           HE       ARG  37   0.337  14.210   3.302
  242   HH11  ARG  37          HH11      ARG  37   2.961  13.922   5.592
  243   HH12  ARG  37          HH12      ARG  37   3.660  15.456   5.182
  244   HH21  ARG  37          HH21      ARG  37   1.267  16.224   2.736
  245   HH22  ARG  37          HH22      ARG  37   2.706  16.757   3.547
  246    H    CYS  38           HN       CYS  38   0.724   9.196   0.676
  247    HA   CYS  38           HA       CYS  38   0.548  10.588  -1.793
  248    HB2  CYS  38           HB2      CYS  38   1.609   7.827  -1.164
  249    HB3  CYS  38           HB1      CYS  38   1.777   8.626  -2.719
  250    H    HIS  39           HN       HIS  39  -1.278   8.056  -0.330
  251    HA   HIS  39           HA       HIS  39  -2.385   7.133  -2.856
  252    HB2  HIS  39           HB2      HIS  39  -2.442   6.167  -0.042
  253    HB3  HIS  39           HB1      HIS  39  -3.773   5.708  -1.098
  254    HD1  HIS  39           HD1      HIS  39  -3.343   3.384  -1.764
  255    HD2  HIS  39           HD2      HIS  39   0.104   5.699  -1.915
  256    HE1  HIS  39           HE1      HIS  39  -1.545   1.862  -2.653
  257    HE2  HIS  39           HE2      HIS  39   0.501   3.319  -2.849
  258    H    PHE  40           HN       PHE  40  -3.595   8.543   0.181
  259    HA   PHE  40           HA       PHE  40  -6.124   9.080  -1.225
  260    HB2  PHE  40           HB2      PHE  40  -5.618   8.430   1.682
  261    HB3  PHE  40           HB1      PHE  40  -7.167   8.985   1.060
  262    HD1  PHE  40           HD2      PHE  40  -8.528   7.551  -0.357
  263    HD2  PHE  40           HD1      PHE  40  -4.822   6.206   1.242
  264    HE1  PHE  40           HE2      PHE  40  -9.135   5.231  -0.908
  265    HE2  PHE  40           HE1      PHE  40  -5.420   3.885   0.691
  266    HZ   PHE  40           HZ       PHE  40  -7.594   3.399  -0.385
  267    HA   PRO  41           HA       PRO  41  -5.477  13.392  -0.520
  268    HB2  PRO  41           HB2      PRO  41  -8.076  14.205  -0.546
  269    HB3  PRO  41           HB1      PRO  41  -7.187  13.773  -2.008
  270    HG2  PRO  41           HG2      PRO  41  -9.106  12.127  -0.405
  271    HG3  PRO  41           HG1      PRO  41  -8.985  12.306  -2.166
  272    HD2  PRO  41           HD2      PRO  41  -7.975  10.170  -0.884
  273    HD3  PRO  41           HD1      PRO  41  -7.186  10.864  -2.315
  274    H    ALA  42           HN       ALA  42  -6.273  15.146   0.918
  275    HA   ALA  42           HA       ALA  42  -5.923  14.319   3.598
  276    HB1  ALA  42           HB1      ALA  42  -5.083  16.448   2.733
  277    HB2  ALA  42           HB2      ALA  42  -6.100  16.673   4.156
  278    HB3  ALA  42           HB3      ALA  42  -6.741  17.021   2.550
  279    H    GLY  43           HN       GLY  43  -8.733  14.793   1.679
  280    HA2  GLY  43           HA2      GLY  43 -10.608  15.213   3.768
  281    HA3  GLY  43           HA1      GLY  43 -10.970  14.579   2.168
  282    H    THR  44           HN       THR  44  -9.045  12.380   2.487
  283    HA   THR  44           HA       THR  44 -10.842  10.506   3.729
  284    HB   THR  44           HB       THR  44  -8.085   9.990   2.600
  285    HG1  THR  44           HG1      THR  44 -10.255  10.859   1.337
  286   HG21  THR  44          HG21      THR  44  -8.893   7.720   2.271
  287   HG22  THR  44          HG22      THR  44 -10.472   8.163   2.920
  288   HG23  THR  44          HG23      THR  44  -9.054   8.173   3.969
  289    H    SER  45           HN       SER  45 -10.596   9.489   5.665
  290    HA   SER  45           HA       SER  45  -8.601  10.598   7.470
  291    HB2  SER  45           HB2      SER  45 -11.018  10.427   8.116
  292    HB3  SER  45           HB1      SER  45 -10.860   8.674   8.071
  293    HG   SER  45           HG       SER  45  -9.842  10.523   9.904
  294    H    ARG  46           HN       ARG  46  -7.229   9.280   8.764
  295    HA   ARG  46           HA       ARG  46  -6.288   6.922   7.347
  296    HB2  ARG  46           HB2      ARG  46  -5.137   8.207   9.829
  297    HB3  ARG  46           HB1      ARG  46  -4.340   7.084   8.739
  298    HG2  ARG  46           HG2      ARG  46  -4.325   8.727   6.979
  299    HG3  ARG  46           HG1      ARG  46  -5.232   9.852   7.991
  300    HD2  ARG  46           HD2      ARG  46  -2.913  10.475   8.028
  301    HD3  ARG  46           HD1      ARG  46  -3.357   9.837   9.607
  302    HE   ARG  46           HE       ARG  46  -2.344   7.660   8.547
  303   HH11  ARG  46          HH11      ARG  46  -1.165  10.947   8.299
  304   HH12  ARG  46          HH12      ARG  46   0.497  10.471   8.146
  305   HH21  ARG  46          HH21      ARG  46  -0.156   7.035   8.341
  306   HH22  ARG  46          HH22      ARG  46   1.074   8.250   8.169
  307    HA   PRO  47           HA       PRO  47  -8.786   4.429  10.130
  308    HB2  PRO  47           HB2      PRO  47  -7.313   2.196   8.889
  309    HB3  PRO  47           HB1      PRO  47  -9.051   2.498   8.950
  310    HG2  PRO  47           HG2      PRO  47  -7.654   2.788   6.680
  311    HG3  PRO  47           HG1      PRO  47  -9.020   3.845   7.080
  312    HD2  PRO  47           HD2      PRO  47  -6.083   4.384   7.283
  313    HD3  PRO  47           HD1      PRO  47  -7.397   5.455   6.756
  314    H    GLY  48           HN       GLY  48  -8.354   3.895  12.158
  315    HA2  GLY  48           HA2      GLY  48  -5.641   3.678  13.091
  316    HA3  GLY  48           HA1      GLY  48  -7.099   3.548  14.069
  317    H    THR  49           HN       THR  49  -8.178   1.512  12.193
  318    HA   THR  49           HA       THR  49  -6.440  -0.764  12.843
  319    HB   THR  49           HB       THR  49  -8.605  -2.049  13.323
  320    HG1  THR  49           HG1      THR  49  -9.669   0.291  12.708
  321   HG21  THR  49          HG21      THR  49  -8.639  -1.353  15.667
  322   HG22  THR  49          HG22      THR  49  -7.758   0.115  15.250
  323   HG23  THR  49          HG23      THR  49  -6.986  -1.457  15.064
  324    H    GLY  50           HN       GLY  50  -6.351  -2.340  11.297
  325    HA2  GLY  50           HA2      GLY  50  -6.810  -3.487   9.355
  326    HA3  GLY  50           HA1      GLY  50  -8.386  -2.710   9.333
  327    H    LEU  51           HN       LEU  51  -5.072  -1.447   9.151
  328    HA   LEU  51           HA       LEU  51  -5.634   0.526   7.239
  329    HB2  LEU  51           HB2      LEU  51  -3.532  -0.035   8.813
  330    HB3  LEU  51           HB1      LEU  51  -2.926  -0.709   7.317
  331    HG   LEU  51           HG       LEU  51  -2.115   1.567   7.674
  332   HD11  LEU  51          HD11      LEU  51  -2.754   2.533   5.520
  333   HD12  LEU  51          HD12      LEU  51  -4.062   1.355   5.388
  334   HD13  LEU  51          HD13      LEU  51  -2.382   0.814   5.394
  335   HD21  LEU  51          HD21      LEU  51  -5.008   2.395   7.529
  336   HD22  LEU  51          HD22      LEU  51  -3.616   3.471   7.623
  337   HD23  LEU  51          HD23      LEU  51  -4.003   2.411   8.977
  338    H    ARG  52           HN       ARG  52  -6.041   0.365   5.113
  339    HA   ARG  52           HA       ARG  52  -5.353  -2.165   3.770
  340    HB2  ARG  52           HB2      ARG  52  -7.740  -0.359   3.382
  341    HB3  ARG  52           HB1      ARG  52  -7.326  -1.667   2.285
  342    HG2  ARG  52           HG2      ARG  52  -7.552  -3.263   4.146
  343    HG3  ARG  52           HG1      ARG  52  -8.046  -1.932   5.194
  344    HD2  ARG  52           HD2      ARG  52  -9.464  -2.732   2.655
  345    HD3  ARG  52           HD1      ARG  52  -9.941  -3.252   4.269
  346    HE   ARG  52           HE       ARG  52  -9.875  -0.528   4.431
  347   HH11  ARG  52          HH11      ARG  52 -11.495  -2.822   2.345
  348   HH12  ARG  52          HH12      ARG  52 -12.882  -1.816   2.098
  349   HH21  ARG  52          HH21      ARG  52 -11.714   0.791   4.127
  350   HH22  ARG  52          HH22      ARG  52 -13.020   0.229   3.132
  351    H    CYS  53           HN       CYS  53  -4.450  -2.103   1.770
  352    HA   CYS  53           HA       CYS  53  -3.210   0.355   0.949
  353    HB2  CYS  53           HB2      CYS  53  -2.046  -0.962  -0.666
  354    HB3  CYS  53           HB1      CYS  53  -2.134  -1.931   0.799
  355    H    ARG  54           HN       ARG  54  -3.220   0.302  -1.773
  356    HA   ARG  54           HA       ARG  54  -5.613   1.648  -2.359
  357    HB2  ARG  54           HB2      ARG  54  -3.535   2.108  -3.541
  358    HB3  ARG  54           HB1      ARG  54  -3.540   0.490  -4.227
  359    HG2  ARG  54           HG2      ARG  54  -5.565   1.012  -5.477
  360    HG3  ARG  54           HG1      ARG  54  -5.591   2.628  -4.769
  361    HD2  ARG  54           HD2      ARG  54  -4.628   2.620  -7.030
  362    HD3  ARG  54           HD1      ARG  54  -3.472   3.151  -5.814
  363    HE   ARG  54           HE       ARG  54  -3.468   0.365  -6.746
  364   HH11  ARG  54          HH11      ARG  54  -1.860   3.463  -6.433
  365   HH12  ARG  54          HH12      ARG  54  -0.300   2.834  -6.852
  366   HH21  ARG  54          HH21      ARG  54  -1.424  -0.464  -7.293
  367   HH22  ARG  54          HH22      ARG  54  -0.050   0.594  -7.341
  368    H    SER  55           HN       SER  55  -4.490  -1.568  -3.395
  369    HA   SER  55           HA       SER  55  -6.757  -2.131  -4.963
  370    HB2  SER  55           HB2      SER  55  -4.910  -4.134  -3.668
  371    HB3  SER  55           HB1      SER  55  -5.875  -4.361  -5.124
  372    HG   SER  55           HG       SER  55  -4.451  -3.270  -6.261
  373    H    CYS  56           HN       CYS  56  -5.955  -2.960  -1.599
  374    HA   CYS  56           HA       CYS  56  -8.276  -4.569  -1.225
  375    HB2  CYS  56           HB2      CYS  56  -6.441  -3.291   0.806
  376    HB3  CYS  56           HB1      CYS  56  -7.715  -4.440   1.198
  377    H    SER  57           HN       SER  57  -7.649  -1.143  -0.921
  378    HA   SER  57           HA       SER  57 -10.162  -0.673   0.462
  379    HB2  SER  57           HB2      SER  57  -8.207   1.313  -0.722
  380    HB3  SER  57           HB1      SER  57  -9.555   1.695   0.346
  381    HG   SER  57           HG       SER  57  -7.066   0.724   0.936
  382    H    GLY  58           HN       GLY  58  -9.107  -1.110  -2.709
  383    HA2  GLY  58           HA2      GLY  58 -11.435   0.352  -3.775
  384    HA3  GLY  58           HA1      GLY  58  -9.961   0.034  -4.680
  385    H    ASP  59           HN       ASP  59 -12.001  -2.082  -2.685
  386    HA   ASP  59           HA       ASP  59 -12.072  -4.002  -4.866
  387    HB2  ASP  59           HB2      ASP  59 -11.668  -4.908  -2.640
  388    HB3  ASP  59           HB1      ASP  59 -13.160  -4.182  -2.047
  389    H    VAL  60           HN       VAL  60 -13.455  -3.448  -6.396
  390    HA   VAL  60           HA       VAL  60 -16.065  -2.357  -5.714
  391    HB   VAL  60           HB       VAL  60 -14.971  -3.040  -8.451
  392   HG11  VAL  60          HG11      VAL  60 -17.266  -1.265  -7.620
  393   HG12  VAL  60          HG12      VAL  60 -17.406  -2.859  -8.362
  394   HG13  VAL  60          HG13      VAL  60 -16.702  -1.521  -9.271
  395   HG21  VAL  60          HG21      VAL  60 -13.543  -1.394  -7.349
  396   HG22  VAL  60          HG22      VAL  60 -14.952  -0.387  -7.017
  397   HG23  VAL  60          HG23      VAL  60 -14.442  -0.669  -8.681
  398    H    THR  61           HN       THR  61 -17.233  -3.960  -4.804
  399    HA   THR  61           HA       THR  61 -17.204  -6.662  -5.615
  400    HB   THR  61           HB       THR  61 -19.385  -5.204  -4.116
  401    HG1  THR  61           HG1      THR  61 -16.815  -6.014  -3.400
  402   HG21  THR  61          HG21      THR  61 -18.586  -8.119  -4.138
  403   HG22  THR  61          HG22      THR  61 -20.022  -7.439  -4.903
  404   HG23  THR  61          HG23      THR  61 -19.857  -7.402  -3.150
  405    HA   PRO  62           HA       PRO  62 -19.767  -5.911  -9.229
  406    HB2  PRO  62           HB2      PRO  62 -19.332  -8.658  -9.971
  407    HB3  PRO  62           HB1      PRO  62 -18.661  -7.209 -10.711
  408    HG2  PRO  62           HG2      PRO  62 -17.191  -9.062  -9.313
  409    HG3  PRO  62           HG1      PRO  62 -16.711  -7.375  -9.553
  410    HD2  PRO  62           HD2      PRO  62 -17.931  -8.683  -7.163
  411    HD3  PRO  62           HD1      PRO  62 -16.714  -7.391  -7.255
  412    H    ALA  63           HN       ALA  63 -21.876  -6.284  -9.627
  413    HA   ALA  63           HA       ALA  63 -23.483  -7.732  -7.811
  414    HB1  ALA  63           HB1      ALA  63 -25.319  -7.252  -9.355
  415    HB2  ALA  63           HB2      ALA  63 -24.160  -6.737 -10.581
  416    HB3  ALA  63           HB3      ALA  63 -24.329  -5.818  -9.085
  417    HA   PRO  64           HA       PRO  64 -22.538 -11.755  -9.371
  418    HB2  PRO  64           HB2      PRO  64 -24.620 -13.083  -8.153
  419    HB3  PRO  64           HB1      PRO  64 -23.097 -12.669  -7.361
  420    HG2  PRO  64           HG2      PRO  64 -25.737 -11.284  -7.241
  421    HG3  PRO  64           HG1      PRO  64 -24.553 -11.557  -5.951
  422    HD2  PRO  64           HD2      PRO  64 -24.814  -9.174  -7.184
  423    HD3  PRO  64           HD1      PRO  64 -23.247  -9.767  -6.603
  424    H    VAL  65           HN       VAL  65 -22.910 -11.885 -11.501
  425    HA   VAL  65           HA       VAL  65 -25.637 -11.778 -12.530
  426    HB   VAL  65           HB       VAL  65 -24.604 -11.847 -14.765
  427   HG11  VAL  65          HG11      VAL  65 -24.947  -9.691 -13.674
  428   HG12  VAL  65          HG12      VAL  65 -23.502  -9.667 -14.685
  429   HG13  VAL  65          HG13      VAL  65 -23.351  -9.805 -12.933
  430   HG21  VAL  65          HG21      VAL  65 -21.986 -11.932 -13.268
  431   HG22  VAL  65          HG22      VAL  65 -22.169 -11.720 -15.009
  432   HG23  VAL  65          HG23      VAL  65 -22.665 -13.232 -14.247
  433    H    GLU  66           HN       GLU  66 -23.492 -14.016 -11.372
  434    HA   GLU  66           HA       GLU  66 -24.405 -16.227 -13.018
  435    HB2  GLU  66           HB2      GLU  66 -22.548 -16.108 -10.635
  436    HB3  GLU  66           HB1      GLU  66 -22.922 -17.574 -11.526
  437    HG2  GLU  66           HG2      GLU  66 -21.692 -15.144 -12.792
  438    HG3  GLU  66           HG1      GLU  66 -20.748 -16.466 -12.107
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  31.487  -7.889  -8.140
    2    H2   GLY   1           HT2      GLY   1  31.154  -7.845  -6.484
    3    H3   GLY   1           HT3      GLY   1  32.185  -6.695  -7.165
    4    HA2  GLY   1           HA1      GLY   1  30.379  -5.753  -8.432
    5    HA3  GLY   1           HA2      GLY   1  29.299  -6.979  -7.781
    6    H    ALA   2           HN       ALA   2  27.914  -5.741  -6.622
    7    HA   ALA   2           HA       ALA   2  29.017  -3.799  -4.731
    8    HB1  ALA   2           HB1      ALA   2  26.147  -4.272  -5.526
    9    HB2  ALA   2           HB2      ALA   2  27.213  -3.057  -6.228
   10    HB3  ALA   2           HB3      ALA   2  26.754  -2.950  -4.529
   11    H    MET   3           HN       MET   3  29.729  -6.112  -3.785
   12    HA   MET   3           HA       MET   3  27.797  -7.503  -2.232
   13    HB2  MET   3           HB2      MET   3  29.902  -8.554  -2.888
   14    HB3  MET   3           HB1      MET   3  30.807  -7.373  -1.952
   15    HG2  MET   3           HG2      MET   3  30.679  -9.473  -0.766
   16    HG3  MET   3           HG1      MET   3  29.789  -8.224   0.101
   17    HE1  MET   3           HE1      MET   3  28.490  -9.952   1.588
   18    HE2  MET   3           HE2      MET   3  29.432 -11.239   0.835
   19    HE3  MET   3           HE3      MET   3  27.677 -11.379   0.947
   20    H    GLU   4           HN       GLU   4  29.807  -4.711  -1.697
   21    HA   GLU   4           HA       GLU   4  28.427  -4.299   0.857
   22    HB2  GLU   4           HB2      GLU   4  30.710  -5.065   1.355
   23    HB3  GLU   4           HB1      GLU   4  31.366  -3.783   0.349
   24    HG2  GLU   4           HG2      GLU   4  31.554  -3.179   2.668
   25    HG3  GLU   4           HG1      GLU   4  30.400  -2.114   1.870
   26    H    GLY   5           HN       GLY   5  27.994  -2.163   1.374
   27    HA2  GLY   5           HA2      GLY   5  28.852  -0.018  -0.356
   28    HA3  GLY   5           HA1      GLY   5  27.145  -0.423  -0.508
   29    H    GLN   6           HN       GLN   6  27.541   2.044   0.298
   30    HA   GLN   6           HA       GLN   6  27.374   2.005   3.228
   31    HB2  GLN   6           HB2      GLN   6  27.761   4.315   1.319
   32    HB3  GLN   6           HB1      GLN   6  27.611   4.477   3.063
   33    HG2  GLN   6           HG2      GLN   6  29.622   3.093   3.341
   34    HG3  GLN   6           HG1      GLN   6  29.789   3.020   1.587
   35   HE21  GLN   6          HE21      GLN   6  30.423   4.845   0.465
   36   HE22  GLN   6          HE22      GLN   6  31.129   6.212   1.252
   37    H    GLN   7           HN       GLN   7  25.802   3.668   0.498
   38    HA   GLN   7           HA       GLN   7  23.357   3.822   2.102
   39    HB2  GLN   7           HB2      GLN   7  24.076   5.191  -0.497
   40    HB3  GLN   7           HB1      GLN   7  22.589   5.438   0.408
   41    HG2  GLN   7           HG2      GLN   7  23.885   6.308   2.291
   42    HG3  GLN   7           HG1      GLN   7  25.369   6.072   1.371
   43   HE21  GLN   7          HE21      GLN   7  22.357   7.198  -0.013
   44   HE22  GLN   7          HE22      GLN   7  22.904   8.798  -0.367
   45    H    ASN   8           HN       ASN   8  23.638   1.317   1.497
   46    HA   ASN   8           HA       ASN   8  22.367   0.705  -1.041
   47    HB2  ASN   8           HB2      ASN   8  24.124  -0.806  -0.318
   48    HB3  ASN   8           HB1      ASN   8  23.294  -1.094   1.209
   49   HD21  ASN   8          HD21      ASN   8  23.255  -1.681  -2.228
   50   HD22  ASN   8          HD22      ASN   8  22.141  -3.003  -2.190
   51    H    LEU   9           HN       LEU   9  20.273   1.111  -1.137
   52    HA   LEU   9           HA       LEU   9  18.590   0.443   1.170
   53    HB2  LEU   9           HB2      LEU   9  18.465   2.761   0.321
   54    HB3  LEU   9           HB1      LEU   9  17.971   2.150  -1.245
   55    HG   LEU   9           HG       LEU   9  15.930   1.196  -0.175
   56   HD11  LEU   9          HD11      LEU   9  15.313   2.006   2.057
   57   HD12  LEU   9          HD12      LEU   9  16.909   2.738   2.224
   58   HD13  LEU   9          HD13      LEU   9  16.751   0.986   2.097
   59   HD21  LEU   9          HD21      LEU   9  16.326   4.167   0.170
   60   HD22  LEU   9          HD22      LEU   9  14.778   3.334   0.046
   61   HD23  LEU   9          HD23      LEU   9  15.883   3.349  -1.329
   62    H    ALA  10           HN       ALA  10  17.352  -1.313   1.068
   63    HA   ALA  10           HA       ALA  10  17.170  -2.832  -1.375
   64    HB1  ALA  10           HB1      ALA  10  17.436  -3.959   0.784
   65    HB2  ALA  10           HB2      ALA  10  15.959  -4.467  -0.034
   66    HB3  ALA  10           HB3      ALA  10  15.876  -3.323   1.306
   67    HA   PRO  11           HA       PRO  11  13.458  -0.729  -2.661
   68    HB2  PRO  11           HB2      PRO  11  13.024  -2.158  -4.911
   69    HB3  PRO  11           HB1      PRO  11  14.303  -0.946  -4.784
   70    HG2  PRO  11           HG2      PRO  11  14.488  -3.923  -4.543
   71    HG3  PRO  11           HG1      PRO  11  15.560  -2.802  -5.402
   72    HD2  PRO  11           HD2      PRO  11  16.133  -3.815  -2.946
   73    HD3  PRO  11           HD1      PRO  11  16.688  -2.218  -3.488
   74    H    GLY  12           HN       GLY  12  13.247  -2.932  -0.677
   75    HA2  GLY  12           HA2      GLY  12  10.948  -4.466  -1.594
   76    HA3  GLY  12           HA1      GLY  12  11.723  -4.588  -0.020
   77    H    ALA  13           HN       ALA  13  11.446  -2.671   1.411
   78    HA   ALA  13           HA       ALA  13   8.684  -1.861   1.481
   79    HB1  ALA  13           HB1      ALA  13   9.860  -2.437   3.543
   80    HB2  ALA  13           HB2      ALA  13   9.289  -0.770   3.586
   81    HB3  ALA  13           HB3      ALA  13  10.991  -1.111   3.277
   82    H    ARG  14           HN       ARG  14   8.669  -0.691  -0.522
   83    HA   ARG  14           HA       ARG  14   9.615   2.058  -0.217
   84    HB2  ARG  14           HB2      ARG  14  11.333   0.938  -1.541
   85    HB3  ARG  14           HB1      ARG  14  10.112   0.316  -2.641
   86    HG2  ARG  14           HG2      ARG  14   9.600   2.557  -3.394
   87    HG3  ARG  14           HG1      ARG  14  10.747   3.231  -2.236
   88    HD2  ARG  14           HD2      ARG  14  11.735   3.148  -4.449
   89    HD3  ARG  14           HD1      ARG  14  12.570   2.035  -3.367
   90    HE   ARG  14           HE       ARG  14  10.687   0.492  -4.599
   91   HH11  ARG  14          HH11      ARG  14  13.243   2.599  -5.736
   92   HH12  ARG  14          HH12      ARG  14  13.527   1.687  -7.181
   93   HH21  ARG  14          HH21      ARG  14  11.073  -0.725  -6.492
   94   HH22  ARG  14          HH22      ARG  14  12.295  -0.207  -7.611
   95    H    CYS  15           HN       CYS  15   8.040   3.452  -0.659
   96    HA   CYS  15           HA       CYS  15   5.515   2.600  -1.661
   97    HB2  CYS  15           HB2      CYS  15   5.611   4.431  -0.084
   98    HB3  CYS  15           HB1      CYS  15   6.662   5.354  -1.155
   99    H    GLY  16           HN       GLY  16   4.998   2.270  -3.706
  100    HA2  GLY  16           HA2      GLY  16   6.796   2.737  -5.827
  101    HA3  GLY  16           HA1      GLY  16   5.127   2.220  -5.993
  102    H    VAL  17           HN       VAL  17   4.137   4.639  -4.588
  103    HA   VAL  17           HA       VAL  17   3.880   6.268  -6.928
  104    HB   VAL  17           HB       VAL  17   2.903   6.801  -4.114
  105   HG11  VAL  17          HG11      VAL  17   1.370   8.388  -5.162
  106   HG12  VAL  17          HG12      VAL  17   2.121   8.085  -6.728
  107   HG13  VAL  17          HG13      VAL  17   3.051   8.843  -5.437
  108   HG21  VAL  17          HG21      VAL  17   1.978   4.751  -5.089
  109   HG22  VAL  17          HG22      VAL  17   1.448   5.665  -6.500
  110   HG23  VAL  17          HG23      VAL  17   0.748   6.001  -4.917
  111    H    CYS  18           HN       CYS  18   5.460   6.683  -3.776
  112    HA   CYS  18           HA       CYS  18   6.306   9.356  -4.536
  113    HB2  CYS  18           HB2      CYS  18   6.763   7.855  -1.954
  114    HB3  CYS  18           HB1      CYS  18   7.092   9.562  -2.233
  115    H    GLY  19           HN       GLY  19   7.694   6.174  -4.018
  116    HA2  GLY  19           HA2      GLY  19   9.709   5.502  -5.101
  117    HA3  GLY  19           HA1      GLY  19  10.235   7.180  -5.099
  118    H    ASP  20           HN       ASP  20   9.233   7.311  -2.230
  119    HA   ASP  20           HA       ASP  20  11.707   6.319  -1.027
  120    HB2  ASP  20           HB2      ASP  20  11.297   8.661  -0.640
  121    HB3  ASP  20           HB1      ASP  20   9.656   8.337  -0.096
  122    H    GLY  21           HN       GLY  21  11.688   5.098   0.914
  123    HA2  GLY  21           HA2      GLY  21   9.115   3.729   1.423
  124    HA3  GLY  21           HA1      GLY  21  10.671   2.911   1.467
  125    H    THR  22           HN       THR  22  10.820   6.039   2.730
  126    HA   THR  22           HA       THR  22  11.261   5.016   5.391
  127    HB   THR  22           HB       THR  22  11.202   7.910   4.527
  128    HG1  THR  22           HG1      THR  22  12.718   7.080   3.192
  129   HG21  THR  22          HG21      THR  22  12.659   6.480   6.755
  130   HG22  THR  22          HG22      THR  22  11.261   7.540   6.942
  131   HG23  THR  22          HG23      THR  22  12.798   8.198   6.377
  132    H    ASP  23           HN       ASP  23   9.870   5.125   7.088
  133    HA   ASP  23           HA       ASP  23   7.895   5.310   8.203
  134    HB2  ASP  23           HB2      ASP  23   8.504   7.687   8.247
  135    HB3  ASP  23           HB1      ASP  23   7.740   7.920   6.685
  136    H    VAL  24           HN       VAL  24   7.735   3.601   6.218
  137    HA   VAL  24           HA       VAL  24   5.612   4.373   4.398
  138    HB   VAL  24           HB       VAL  24   7.722   3.118   3.685
  139   HG11  VAL  24          HG11      VAL  24   7.632   0.682   3.782
  140   HG12  VAL  24          HG12      VAL  24   6.208   0.781   4.818
  141   HG13  VAL  24          HG13      VAL  24   7.757   1.402   5.386
  142   HG21  VAL  24          HG21      VAL  24   5.742   3.487   2.279
  143   HG22  VAL  24          HG22      VAL  24   5.084   1.952   2.850
  144   HG23  VAL  24          HG23      VAL  24   6.584   1.981   1.920
  145    H    LEU  25           HN       LEU  25   3.622   3.520   4.339
  146    HA   LEU  25           HA       LEU  25   2.750   2.048   6.699
  147    HB2  LEU  25           HB2      LEU  25   1.244   3.526   4.529
  148    HB3  LEU  25           HB1      LEU  25   0.453   2.591   5.787
  149    HG   LEU  25           HG       LEU  25   2.233   4.985   6.263
  150   HD11  LEU  25          HD11      LEU  25  -0.765   4.734   6.435
  151   HD12  LEU  25          HD12      LEU  25   0.124   5.582   5.172
  152   HD13  LEU  25          HD13      LEU  25   0.189   6.162   6.836
  153   HD21  LEU  25          HD21      LEU  25   1.344   4.858   8.558
  154   HD22  LEU  25          HD22      LEU  25   2.300   3.444   8.123
  155   HD23  LEU  25          HD23      LEU  25   0.541   3.343   8.143
  156    H    ARG  26           HN       ARG  26   1.619   0.095   6.546
  157    HA   ARG  26           HA       ARG  26   2.132  -1.351   4.027
  158    HB2  ARG  26           HB2      ARG  26   2.249  -2.406   6.859
  159    HB3  ARG  26           HB1      ARG  26   2.507  -3.359   5.405
  160    HG2  ARG  26           HG2      ARG  26   4.218  -1.079   6.368
  161    HG3  ARG  26           HG1      ARG  26   4.616  -2.796   6.438
  162    HD2  ARG  26           HD2      ARG  26   4.175  -1.173   3.935
  163    HD3  ARG  26           HD1      ARG  26   5.732  -1.701   4.563
  164    HE   ARG  26           HE       ARG  26   3.646  -3.595   3.680
  165   HH11  ARG  26          HH11      ARG  26   6.980  -2.556   3.844
  166   HH12  ARG  26          HH12      ARG  26   7.572  -3.856   2.861
  167   HH21  ARG  26          HH21      ARG  26   4.427  -5.341   2.412
  168   HH22  ARG  26          HH22      ARG  26   6.121  -5.447   2.055
  169    H    CYS  27           HN       CYS  27   0.563  -2.722   3.262
  170    HA   CYS  27           HA       CYS  27  -2.098  -2.257   4.193
  171    HB2  CYS  27           HB2      CYS  27  -1.297  -2.809   1.769
  172    HB3  CYS  27           HB1      CYS  27  -1.388  -4.496   2.290
  173    H    THR  28           HN       THR  28  -3.308  -3.441   5.558
  174    HA   THR  28           HA       THR  28  -2.006  -5.570   7.018
  175    HB   THR  28           HB       THR  28  -4.142  -5.552   8.360
  176    HG1  THR  28           HG1      THR  28  -5.711  -4.129   7.847
  177   HG21  THR  28          HG21      THR  28  -2.726  -2.901   8.033
  178   HG22  THR  28          HG22      THR  28  -2.181  -4.244   9.038
  179   HG23  THR  28          HG23      THR  28  -3.678  -3.398   9.432
  180    H    HIS  29           HN       HIS  29  -4.071  -5.352   4.336
  181    HA   HIS  29           HA       HIS  29  -5.161  -8.036   4.779
  182    HB2  HIS  29           HB2      HIS  29  -5.933  -5.838   2.871
  183    HB3  HIS  29           HB1      HIS  29  -6.563  -7.473   2.729
  184    HD1  HIS  29           HD1      HIS  29  -8.821  -7.633   3.693
  185    HD2  HIS  29           HD2      HIS  29  -6.451  -4.926   5.782
  186    HE1  HIS  29           HE1      HIS  29 -10.286  -6.716   5.517
  187    HE2  HIS  29           HE2      HIS  29  -8.790  -5.198   6.857
  188    H    CYS  30           HN       CYS  30  -2.802  -6.365   2.937
  189    HA   CYS  30           HA       CYS  30  -2.035  -8.847   1.675
  190    HB2  CYS  30           HB2      CYS  30  -2.173  -8.171  -0.566
  191    HB3  CYS  30           HB1      CYS  30  -3.685  -7.593   0.121
  192    H    ALA  31           HN       ALA  31  -0.128  -7.816  -0.059
  193    HA   ALA  31           HA       ALA  31   1.711  -6.548   1.830
  194    HB1  ALA  31           HB1      ALA  31   2.331  -8.175  -0.626
  195    HB2  ALA  31           HB2      ALA  31   2.416  -8.745   1.039
  196    HB3  ALA  31           HB3      ALA  31   3.516  -7.485   0.481
  197    H    ALA  32           HN       ALA  32   1.956  -4.449   1.529
  198    HA   ALA  32           HA       ALA  32   2.650  -3.377  -1.032
  199    HB1  ALA  32           HB1      ALA  32   0.823  -1.793  -1.246
  200    HB2  ALA  32           HB2      ALA  32   0.067  -2.433   0.213
  201    HB3  ALA  32           HB3      ALA  32   0.190  -3.441  -1.228
  202    H    ALA  33           HN       ALA  33   4.082  -1.840  -0.690
  203    HA   ALA  33           HA       ALA  33   4.160  -0.462   1.904
  204    HB1  ALA  33           HB1      ALA  33   6.220  -1.597   1.157
  205    HB2  ALA  33           HB2      ALA  33   6.437   0.144   1.318
  206    HB3  ALA  33           HB3      ALA  33   6.244  -0.574  -0.279
  207    H    PHE  34           HN       PHE  34   3.108   1.410   1.940
  208    HA   PHE  34           HA       PHE  34   3.392   3.303  -0.243
  209    HB2  PHE  34           HB2      PHE  34   0.972   3.536  -0.594
  210    HB3  PHE  34           HB1      PHE  34   1.507   1.908  -0.986
  211    HD1  PHE  34           HD2      PHE  34   1.057   0.054   0.640
  212    HD2  PHE  34           HD1      PHE  34  -0.666   3.922   1.054
  213    HE1  PHE  34           HE2      PHE  34  -0.641  -0.870   2.159
  214    HE2  PHE  34           HE1      PHE  34  -2.366   3.004   2.574
  215    HZ   PHE  34           HZ       PHE  34  -2.381   0.607   3.102
  216    H    HIS  35           HN       HIS  35   1.681   5.223   0.397
  217    HA   HIS  35           HA       HIS  35   1.745   5.542   3.316
  218    HB2  HIS  35           HB2      HIS  35   2.203   7.844   1.408
  219    HB3  HIS  35           HB1      HIS  35   2.327   7.868   3.157
  220    HD2  HIS  35           HD2      HIS  35   4.540   6.022   4.030
  221    HE1  HIS  35           HE1      HIS  35   6.754   7.227   0.625
  222    HE2  HIS  35           HE2      HIS  35   6.906   6.354   3.009
  223    H    TRP  36           HN       TRP  36   0.092   7.110   4.062
  224    HA   TRP  36           HA       TRP  36  -2.415   6.506   3.006
  225    HB2  TRP  36           HB2      TRP  36  -1.881   7.368   5.329
  226    HB3  TRP  36           HB1      TRP  36  -1.797   8.980   4.622
  227    HD1  TRP  36           HD1      TRP  36  -3.993  10.280   4.806
  228    HE1  TRP  36           HE1      TRP  36  -6.489   9.683   5.009
  229    HE3  TRP  36           HE3      TRP  36  -3.624   5.195   4.523
  230    HZ2  TRP  36           HZ2      TRP  36  -8.082   7.351   5.042
  231    HZ3  TRP  36           HZ3      TRP  36  -5.678   3.853   4.649
  232    HH2  TRP  36           HH2      TRP  36  -7.862   4.911   4.902
  233    H    ARG  37           HN       ARG  37  -0.537   9.517   2.652
  234    HA   ARG  37           HA       ARG  37  -2.452  11.013   1.300
  235    HB2  ARG  37           HB2      ARG  37   0.549  11.184   1.053
  236    HB3  ARG  37           HB1      ARG  37  -0.579  12.409   0.495
  237    HG2  ARG  37           HG2      ARG  37  -1.347  12.697   2.833
  238    HG3  ARG  37           HG1      ARG  37  -0.091  11.558   3.337
  239    HD2  ARG  37           HD2      ARG  37   1.616  13.019   2.351
  240    HD3  ARG  37           HD1      ARG  37   0.359  14.156   1.875
  241    HE   ARG  37           HE       ARG  37   0.029  13.920   4.560
  242   HH11  ARG  37          HH11      ARG  37   2.719  14.727   2.477
  243   HH12  ARG  37          HH12      ARG  37   3.513  15.717   3.659
  244   HH21  ARG  37          HH21      ARG  37   1.062  15.243   6.128
  245   HH22  ARG  37          HH22      ARG  37   2.573  16.008   5.739
  246    H    CYS  38           HN       CYS  38   0.062   8.918  -0.070
  247    HA   CYS  38           HA       CYS  38  -0.284   9.773  -2.739
  248    HB2  CYS  38           HB2      CYS  38   0.804   7.234  -2.888
  249    HB3  CYS  38           HB1      CYS  38   1.706   8.739  -2.736
  250    H    HIS  39           HN       HIS  39  -2.076   7.543  -0.808
  251    HA   HIS  39           HA       HIS  39  -3.365   6.488  -3.237
  252    HB2  HIS  39           HB2      HIS  39  -3.050   5.336  -0.485
  253    HB3  HIS  39           HB1      HIS  39  -4.327   4.771  -1.553
  254    HD1  HIS  39           HD1      HIS  39  -3.694   3.065  -3.270
  255    HD2  HIS  39           HD2      HIS  39  -0.381   4.878  -1.547
  256    HE1  HIS  39           HE1      HIS  39  -1.718   1.688  -3.998
  257    HE2  HIS  39           HE2      HIS  39   0.287   2.880  -3.053
  258    H    PHE  40           HN       PHE  40  -3.964   8.081  -0.158
  259    HA   PHE  40           HA       PHE  40  -6.777   8.405  -0.963
  260    HB2  PHE  40           HB2      PHE  40  -5.725   7.948   1.839
  261    HB3  PHE  40           HB1      PHE  40  -7.406   8.254   1.416
  262    HD1  PHE  40           HD2      PHE  40  -8.693   6.562   0.169
  263    HD2  PHE  40           HD1      PHE  40  -4.749   5.801   1.567
  264    HE1  PHE  40           HE2      PHE  40  -9.052   4.150  -0.147
  265    HE2  PHE  40           HE1      PHE  40  -5.098   3.388   1.252
  266    HZ   PHE  40           HZ       PHE  40  -7.252   2.560   0.394
  267    HA   PRO  41           HA       PRO  41  -5.993  12.748  -0.440
  268    HB2  PRO  41           HB2      PRO  41  -8.589  13.538  -0.122
  269    HB3  PRO  41           HB1      PRO  41  -7.871  13.162  -1.690
  270    HG2  PRO  41           HG2      PRO  41  -9.594  11.458   0.065
  271    HG3  PRO  41           HG1      PRO  41  -9.647  11.665  -1.696
  272    HD2  PRO  41           HD2      PRO  41  -8.500   9.520  -0.547
  273    HD3  PRO  41           HD1      PRO  41  -7.869  10.233  -2.043
  274    H    ALA  42           HN       ALA  42  -6.186  14.370   1.141
  275    HA   ALA  42           HA       ALA  42  -5.688  13.414   3.731
  276    HB1  ALA  42           HB1      ALA  42  -5.442  15.742   4.366
  277    HB2  ALA  42           HB2      ALA  42  -6.224  16.250   2.868
  278    HB3  ALA  42           HB3      ALA  42  -4.661  15.433   2.815
  279    H    GLY  43           HN       GLY  43  -8.652  14.227   2.241
  280    HA2  GLY  43           HA2      GLY  43 -10.100  14.925   4.610
  281    HA3  GLY  43           HA1      GLY  43 -10.795  14.452   3.066
  282    H    THR  44           HN       THR  44  -8.931  11.991   3.351
  283    HA   THR  44           HA       THR  44 -10.920  10.310   4.622
  284    HB   THR  44           HB       THR  44  -8.287   9.278   3.628
  285    HG1  THR  44           HG1      THR  44  -8.754  10.472   1.877
  286   HG21  THR  44          HG21      THR  44  -9.987   7.762   4.616
  287   HG22  THR  44          HG22      THR  44  -9.625   7.383   2.933
  288   HG23  THR  44          HG23      THR  44 -11.110   8.238   3.343
  289    H    SER  45           HN       SER  45 -10.680   9.302   6.589
  290    HA   SER  45           HA       SER  45  -8.508  10.262   8.259
  291    HB2  SER  45           HB2      SER  45  -9.877   8.974  10.040
  292    HB3  SER  45           HB1      SER  45 -10.585  10.430   9.342
  293    HG   SER  45           HG       SER  45 -11.086   7.812   8.359
  294    H    ARG  46           HN       ARG  46  -6.783   9.107   8.811
  295    HA   ARG  46           HA       ARG  46  -6.401   6.537   7.584
  296    HB2  ARG  46           HB2      ARG  46  -4.602   8.220   7.639
  297    HB3  ARG  46           HB1      ARG  46  -4.576   8.130   9.393
  298    HG2  ARG  46           HG2      ARG  46  -3.942   5.745   9.220
  299    HG3  ARG  46           HG1      ARG  46  -3.860   5.930   7.467
  300    HD2  ARG  46           HD2      ARG  46  -1.643   6.122   8.355
  301    HD3  ARG  46           HD1      ARG  46  -2.158   7.712   7.795
  302    HE   ARG  46           HE       ARG  46  -2.795   7.901  10.351
  303   HH11  ARG  46          HH11      ARG  46   0.101   6.571   8.893
  304   HH12  ARG  46          HH12      ARG  46   1.114   6.960  10.243
  305   HH21  ARG  46          HH21      ARG  46  -1.447   8.418  12.132
  306   HH22  ARG  46          HH22      ARG  46   0.237   7.994  12.081
  307    HA   PRO  47           HA       PRO  47  -7.691   4.252  11.231
  308    HB2  PRO  47           HB2      PRO  47  -7.008   1.803  10.228
  309    HB3  PRO  47           HB1      PRO  47  -8.519   2.629   9.836
  310    HG2  PRO  47           HG2      PRO  47  -5.986   2.457   8.257
  311    HG3  PRO  47           HG1      PRO  47  -7.666   2.357   7.699
  312    HD2  PRO  47           HD2      PRO  47  -6.179   4.604   7.441
  313    HD3  PRO  47           HD1      PRO  47  -7.936   4.645   7.702
  314    H    GLY  48           HN       GLY  48  -6.587   3.495  12.984
  315    HA2  GLY  48           HA2      GLY  48  -3.735   3.929  12.982
  316    HA3  GLY  48           HA1      GLY  48  -4.726   3.502  14.368
  317    H    THR  49           HN       THR  49  -5.851   1.177  12.912
  318    HA   THR  49           HA       THR  49  -3.525  -0.586  12.730
  319    HB   THR  49           HB       THR  49  -4.823  -2.276  14.144
  320    HG1  THR  49           HG1      THR  49  -6.812  -1.107  14.185
  321   HG21  THR  49          HG21      THR  49  -3.966  -1.367  16.251
  322   HG22  THR  49          HG22      THR  49  -3.764   0.211  15.492
  323   HG23  THR  49          HG23      THR  49  -2.798  -1.161  14.946
  324    H    GLY  50           HN       GLY  50  -4.527  -0.049  10.466
  325    HA2  GLY  50           HA2      GLY  50  -5.663  -2.361   9.417
  326    HA3  GLY  50           HA1      GLY  50  -6.989  -1.256   9.745
  327    H    LEU  51           HN       LEU  51  -3.695  -0.636   8.586
  328    HA   LEU  51           HA       LEU  51  -4.560   1.201   6.620
  329    HB2  LEU  51           HB2      LEU  51  -2.046   0.112   7.558
  330    HB3  LEU  51           HB1      LEU  51  -2.057   0.267   5.812
  331    HG   LEU  51           HG       LEU  51  -1.102   2.242   6.900
  332   HD11  LEU  51          HD11      LEU  51  -2.204   2.505   4.754
  333   HD12  LEU  51          HD12      LEU  51  -2.459   3.932   5.759
  334   HD13  LEU  51          HD13      LEU  51  -3.752   2.752   5.561
  335   HD21  LEU  51          HD21      LEU  51  -3.837   2.590   8.114
  336   HD22  LEU  51          HD22      LEU  51  -2.504   3.741   8.211
  337   HD23  LEU  51          HD23      LEU  51  -2.364   2.164   8.986
  338    H    ARG  52           HN       ARG  52  -5.354   0.879   4.680
  339    HA   ARG  52           HA       ARG  52  -5.036  -1.772   3.444
  340    HB2  ARG  52           HB2      ARG  52  -7.519  -0.047   3.467
  341    HB3  ARG  52           HB1      ARG  52  -7.347  -1.575   2.619
  342    HG2  ARG  52           HG2      ARG  52  -7.201  -2.784   4.658
  343    HG3  ARG  52           HG1      ARG  52  -7.066  -1.297   5.599
  344    HD2  ARG  52           HD2      ARG  52  -9.462  -2.181   3.996
  345    HD3  ARG  52           HD1      ARG  52  -9.312  -2.229   5.751
  346    HE   ARG  52           HE       ARG  52  -8.844   0.397   4.915
  347   HH11  ARG  52          HH11      ARG  52 -11.470  -1.914   5.009
  348   HH12  ARG  52          HH12      ARG  52 -12.699  -0.698   5.150
  349   HH21  ARG  52          HH21      ARG  52 -10.462   1.995   5.091
  350   HH22  ARG  52          HH22      ARG  52 -12.127   1.522   5.194
  351    H    CYS  53           HN       CYS  53  -4.364  -1.741   1.399
  352    HA   CYS  53           HA       CYS  53  -3.825   0.707   0.043
  353    HB2  CYS  53           HB2      CYS  53  -2.923  -0.637  -1.702
  354    HB3  CYS  53           HB1      CYS  53  -2.530  -1.471  -0.201
  355    H    ARG  54           HN       ARG  54  -4.610   0.573  -2.507
  356    HA   ARG  54           HA       ARG  54  -7.221   1.541  -2.291
  357    HB2  ARG  54           HB2      ARG  54  -7.186   1.751  -4.729
  358    HB3  ARG  54           HB1      ARG  54  -5.699   2.334  -4.005
  359    HG2  ARG  54           HG2      ARG  54  -4.765   1.161  -5.678
  360    HG3  ARG  54           HG1      ARG  54  -4.968  -0.186  -4.559
  361    HD2  ARG  54           HD2      ARG  54  -5.764  -0.774  -6.791
  362    HD3  ARG  54           HD1      ARG  54  -7.091  -0.760  -5.630
  363    HE   ARG  54           HE       ARG  54  -6.936   1.763  -6.846
  364   HH11  ARG  54          HH11      ARG  54  -7.756  -1.546  -7.651
  365   HH12  ARG  54          HH12      ARG  54  -8.859  -1.101  -8.913
  366   HH21  ARG  54          HH21      ARG  54  -8.376   2.358  -8.513
  367   HH22  ARG  54          HH22      ARG  54  -9.221   1.128  -9.400
  368    H    SER  55           HN       SER  55  -6.079  -1.635  -3.337
  369    HA   SER  55           HA       SER  55  -8.605  -2.515  -4.293
  370    HB2  SER  55           HB2      SER  55  -6.247  -4.163  -3.360
  371    HB3  SER  55           HB1      SER  55  -7.585  -4.730  -4.359
  372    HG   SER  55           HG       SER  55  -6.759  -3.754  -6.053
  373    H    CYS  56           HN       CYS  56  -6.851  -3.108  -1.255
  374    HA   CYS  56           HA       CYS  56  -8.900  -4.778  -0.185
  375    HB2  CYS  56           HB2      CYS  56  -6.618  -3.446   1.276
  376    HB3  CYS  56           HB1      CYS  56  -7.573  -4.808   1.846
  377    H    SER  57           HN       SER  57  -8.554  -1.365  -0.301
  378    HA   SER  57           HA       SER  57  -9.774  -0.813   2.237
  379    HB2  SER  57           HB2      SER  57  -9.831   1.535   1.408
  380    HB3  SER  57           HB1      SER  57  -8.234   0.798   1.289
  381    HG   SER  57           HG       SER  57  -8.855   1.935  -0.622
  382    H    GLY  58           HN       GLY  58 -10.964  -1.752  -0.784
  383    HA2  GLY  58           HA2      GLY  58 -13.676  -1.141   0.102
  384    HA3  GLY  58           HA1      GLY  58 -13.169  -0.492  -1.447
  385    H    ASP  59           HN       ASP  59 -15.115  -1.823  -2.006
  386    HA   ASP  59           HA       ASP  59 -14.586  -4.670  -2.273
  387    HB2  ASP  59           HB2      ASP  59 -16.884  -4.781  -3.161
  388    HB3  ASP  59           HB1      ASP  59 -16.839  -3.953  -1.609
  389    H    VAL  60           HN       VAL  60 -12.732  -3.215  -3.618
  390    HA   VAL  60           HA       VAL  60 -13.587  -2.843  -6.370
  391    HB   VAL  60           HB       VAL  60 -10.812  -2.468  -5.238
  392   HG11  VAL  60          HG11      VAL  60 -10.911  -2.624  -7.663
  393   HG12  VAL  60          HG12      VAL  60 -10.512  -0.981  -7.160
  394   HG13  VAL  60          HG13      VAL  60 -12.144  -1.363  -7.707
  395   HG21  VAL  60          HG21      VAL  60 -11.342  -0.101  -4.995
  396   HG22  VAL  60          HG22      VAL  60 -12.401  -1.088  -3.988
  397   HG23  VAL  60          HG23      VAL  60 -13.003  -0.411  -5.500
  398    H    THR  61           HN       THR  61 -13.948  -4.913  -7.114
  399    HA   THR  61           HA       THR  61 -11.530  -6.557  -7.417
  400    HB   THR  61           HB       THR  61 -13.205  -8.480  -7.760
  401    HG1  THR  61           HG1      THR  61 -15.255  -8.157  -7.195
  402   HG21  THR  61          HG21      THR  61 -13.365  -8.900  -5.343
  403   HG22  THR  61          HG22      THR  61 -12.911  -7.226  -5.029
  404   HG23  THR  61          HG23      THR  61 -11.764  -8.320  -5.800
  405    HA   PRO  62           HA       PRO  62 -12.224  -5.128 -11.627
  406    HB2  PRO  62           HB2      PRO  62 -10.056  -6.465 -12.672
  407    HB3  PRO  62           HB1      PRO  62  -9.980  -4.872 -11.913
  408    HG2  PRO  62           HG2      PRO  62  -9.347  -7.555 -10.757
  409    HG3  PRO  62           HG1      PRO  62  -8.495  -6.014 -10.547
  410    HD2  PRO  62           HD2      PRO  62 -10.135  -6.989  -8.659
  411    HD3  PRO  62           HD1      PRO  62 -10.013  -5.246  -8.975
  412    H    ALA  63           HN       ALA  63 -13.054  -6.003 -13.481
  413    HA   ALA  63           HA       ALA  63 -13.854  -8.813 -13.297
  414    HB1  ALA  63           HB1      ALA  63 -15.632  -7.140 -13.562
  415    HB2  ALA  63           HB2      ALA  63 -15.569  -8.256 -14.925
  416    HB3  ALA  63           HB3      ALA  63 -14.912  -6.628 -15.087
  417    HA   PRO  64           HA       PRO  64 -10.890  -9.688 -16.511
  418    HB2  PRO  64           HB2      PRO  64 -11.516 -12.295 -16.857
  419    HB3  PRO  64           HB1      PRO  64 -10.605 -11.719 -15.456
  420    HG2  PRO  64           HG2      PRO  64 -13.511 -12.397 -15.681
  421    HG3  PRO  64           HG1      PRO  64 -12.369 -12.770 -14.377
  422    HD2  PRO  64           HD2      PRO  64 -14.153 -10.713 -14.262
  423    HD3  PRO  64           HD1      PRO  64 -12.590 -10.696 -13.421
  424    H    VAL  65           HN       VAL  65 -11.003  -9.454 -18.665
  425    HA   VAL  65           HA       VAL  65 -13.620  -9.532 -19.939
  426    HB   VAL  65           HB       VAL  65 -10.964  -8.731 -21.146
  427   HG11  VAL  65          HG11      VAL  65 -12.644  -9.328 -22.805
  428   HG12  VAL  65          HG12      VAL  65 -12.344  -7.589 -22.822
  429   HG13  VAL  65          HG13      VAL  65 -13.798  -8.227 -22.053
  430   HG21  VAL  65          HG21      VAL  65 -13.101  -7.006 -19.900
  431   HG22  VAL  65          HG22      VAL  65 -11.680  -6.418 -20.763
  432   HG23  VAL  65          HG23      VAL  65 -11.489  -7.303 -19.250
  433    H    GLU  66           HN       GLU  66 -14.052 -11.702 -20.067
  434    HA   GLU  66           HA       GLU  66 -12.104 -13.455 -21.349
  435    HB2  GLU  66           HB2      GLU  66 -14.751 -14.137 -20.052
  436    HB3  GLU  66           HB1      GLU  66 -13.511 -15.277 -20.560
  437    HG2  GLU  66           HG2      GLU  66 -11.996 -14.470 -18.891
  438    HG3  GLU  66           HG1      GLU  66 -13.096 -13.162 -18.462
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  -1.729 -20.974 -14.794
    2    H2   GLY   1           HT2      GLY   1  -1.381 -21.429 -16.383
    3    H3   GLY   1           HT3      GLY   1  -2.255 -20.013 -16.079
    4    HA2  GLY   1           HA1      GLY   1   0.564 -20.493 -15.301
    5    HA3  GLY   1           HA2      GLY   1   0.045 -19.529 -16.677
    6    H    ALA   2           HN       ALA   2  -0.980 -17.540 -16.324
    7    HA   ALA   2           HA       ALA   2  -1.142 -15.488 -15.371
    8    HB1  ALA   2           HB1      ALA   2  -2.178 -15.369 -13.176
    9    HB2  ALA   2           HB2      ALA   2  -1.807 -17.069 -12.890
   10    HB3  ALA   2           HB3      ALA   2  -2.949 -16.618 -14.155
   11    H    MET   3           HN       MET   3   1.421 -16.088 -15.663
   12    HA   MET   3           HA       MET   3   2.746 -15.619 -13.083
   13    HB2  MET   3           HB2      MET   3   3.910 -16.457 -15.747
   14    HB3  MET   3           HB1      MET   3   4.826 -16.250 -14.261
   15    HG2  MET   3           HG2      MET   3   2.629 -18.256 -14.716
   16    HG3  MET   3           HG1      MET   3   4.359 -18.595 -14.701
   17    HE1  MET   3           HE1      MET   3   3.750 -20.548 -12.940
   18    HE2  MET   3           HE2      MET   3   2.056 -20.061 -12.900
   19    HE3  MET   3           HE3      MET   3   2.956 -20.249 -11.395
   20    H    GLU   4           HN       GLU   4   1.875 -14.075 -15.989
   21    HA   GLU   4           HA       GLU   4   3.326 -11.677 -15.164
   22    HB2  GLU   4           HB2      GLU   4   4.003 -11.199 -17.474
   23    HB3  GLU   4           HB1      GLU   4   4.720 -12.692 -16.895
   24    HG2  GLU   4           HG2      GLU   4   2.237 -12.626 -18.586
   25    HG3  GLU   4           HG1      GLU   4   3.859 -12.696 -19.265
   26    H    GLY   5           HN       GLY   5   2.533  -9.754 -16.581
   27    HA2  GLY   5           HA2      GLY   5   0.556  -9.146 -18.027
   28    HA3  GLY   5           HA1      GLY   5  -0.397 -10.017 -16.835
   29    H    GLN   6           HN       GLN   6  -1.391  -8.766 -15.421
   30    HA   GLN   6           HA       GLN   6  -0.564  -6.001 -15.127
   31    HB2  GLN   6           HB2      GLN   6  -2.668  -5.751 -13.832
   32    HB3  GLN   6           HB1      GLN   6  -2.923  -6.396 -15.445
   33    HG2  GLN   6           HG2      GLN   6  -4.320  -7.697 -14.173
   34    HG3  GLN   6           HG1      GLN   6  -2.880  -8.700 -14.266
   35   HE21  GLN   6          HE21      GLN   6  -3.335  -9.819 -12.409
   36   HE22  GLN   6          HE22      GLN   6  -3.243  -9.110 -10.834
   37    H    GLN   7           HN       GLN   7   0.204  -8.838 -13.667
   38    HA   GLN   7           HA       GLN   7   0.347  -7.863 -10.947
   39    HB2  GLN   7           HB2      GLN   7   1.332 -10.105 -10.478
   40    HB3  GLN   7           HB1      GLN   7  -0.253 -10.169 -11.237
   41    HG2  GLN   7           HG2      GLN   7   0.852 -10.580 -13.411
   42    HG3  GLN   7           HG1      GLN   7   2.404 -10.618 -12.580
   43   HE21  GLN   7          HE21      GLN   7  -0.598 -12.253 -13.127
   44   HE22  GLN   7          HE22      GLN   7  -0.125 -13.777 -12.450
   45    H    ASN   8           HN       ASN   8   1.764  -6.117 -12.276
   46    HA   ASN   8           HA       ASN   8   4.565  -6.898 -12.317
   47    HB2  ASN   8           HB2      ASN   8   4.972  -4.590 -13.135
   48    HB3  ASN   8           HB1      ASN   8   3.824  -5.470 -14.134
   49   HD21  ASN   8          HD21      ASN   8   4.279  -2.593 -13.768
   50   HD22  ASN   8          HD22      ASN   8   2.751  -1.933 -13.297
   51    H    LEU   9           HN       LEU   9   4.293  -7.390  -9.963
   52    HA   LEU   9           HA       LEU   9   4.042  -5.204  -8.127
   53    HB2  LEU   9           HB2      LEU   9   4.973  -8.042  -7.695
   54    HB3  LEU   9           HB1      LEU   9   4.638  -6.891  -6.417
   55    HG   LEU   9           HG       LEU   9   2.601  -7.935  -8.386
   56   HD11  LEU   9          HD11      LEU   9   3.050  -8.602  -5.481
   57   HD12  LEU   9          HD12      LEU   9   3.340  -9.671  -6.854
   58   HD13  LEU   9          HD13      LEU   9   1.698  -9.156  -6.467
   59   HD21  LEU   9          HD21      LEU   9   0.976  -6.854  -6.902
   60   HD22  LEU   9          HD22      LEU   9   2.083  -5.685  -7.621
   61   HD23  LEU   9          HD23      LEU   9   2.300  -6.188  -5.944
   62    H    ALA  10           HN       ALA  10   5.569  -3.856  -7.506
   63    HA   ALA  10           HA       ALA  10   8.238  -4.036  -8.444
   64    HB1  ALA  10           HB1      ALA  10   7.085  -2.247  -6.303
   65    HB2  ALA  10           HB2      ALA  10   7.137  -1.887  -8.028
   66    HB3  ALA  10           HB3      ALA  10   8.636  -2.030  -7.112
   67    HA   PRO  11           HA       PRO  11   9.753  -6.719  -5.194
   68    HB2  PRO  11           HB2      PRO  11  12.347  -6.709  -5.948
   69    HB3  PRO  11           HB1      PRO  11  11.108  -7.613  -6.825
   70    HG2  PRO  11           HG2      PRO  11  12.294  -4.935  -7.454
   71    HG3  PRO  11           HG1      PRO  11  11.969  -6.295  -8.543
   72    HD2  PRO  11           HD2      PRO  11  10.320  -4.157  -8.349
   73    HD3  PRO  11           HD1      PRO  11   9.728  -5.792  -8.709
   74    H    GLY  12           HN       GLY  12   9.243  -4.113  -4.340
   75    HA2  GLY  12           HA2      GLY  12  11.359  -3.764  -2.411
   76    HA3  GLY  12           HA1      GLY  12  11.232  -2.442  -3.564
   77    H    ALA  13           HN       ALA  13  10.607  -2.894  -0.574
   78    HA   ALA  13           HA       ALA  13   7.788  -2.281  -0.433
   79    HB1  ALA  13           HB1      ALA  13   8.138  -2.186   1.977
   80    HB2  ALA  13           HB2      ALA  13   9.883  -2.286   1.740
   81    HB3  ALA  13           HB3      ALA  13   8.853  -3.650   1.301
   82    H    ARG  14           HN       ARG  14   8.010  -0.399  -1.836
   83    HA   ARG  14           HA       ARG  14   8.683   2.011  -0.302
   84    HB2  ARG  14           HB2      ARG  14   9.466   1.475  -3.174
   85    HB3  ARG  14           HB1      ARG  14   9.641   3.020  -2.355
   86    HG2  ARG  14           HG2      ARG  14  11.182   1.972  -0.752
   87    HG3  ARG  14           HG1      ARG  14  11.042   0.453  -1.642
   88    HD2  ARG  14           HD2      ARG  14  11.936   1.534  -3.637
   89    HD3  ARG  14           HD1      ARG  14  12.052   3.062  -2.767
   90    HE   ARG  14           HE       ARG  14  13.509   0.765  -1.701
   91   HH11  ARG  14          HH11      ARG  14  13.567   3.823  -3.412
   92   HH12  ARG  14          HH12      ARG  14  15.273   4.052  -3.199
   93   HH21  ARG  14          HH21      ARG  14  15.753   1.066  -1.420
   94   HH22  ARG  14          HH22      ARG  14  16.518   2.485  -2.061
   95    H    CYS  15           HN       CYS  15   7.507   3.840  -0.847
   96    HA   CYS  15           HA       CYS  15   4.891   3.458  -1.901
   97    HB2  CYS  15           HB2      CYS  15   5.159   5.109  -0.217
   98    HB3  CYS  15           HB1      CYS  15   6.510   5.857  -1.055
   99    H    GLY  16           HN       GLY  16   4.443   3.257  -4.003
  100    HA2  GLY  16           HA2      GLY  16   6.331   3.624  -6.046
  101    HA3  GLY  16           HA1      GLY  16   4.609   3.379  -6.283
  102    H    VAL  17           HN       VAL  17   4.087   5.856  -4.652
  103    HA   VAL  17           HA       VAL  17   4.058   7.710  -6.822
  104    HB   VAL  17           HB       VAL  17   3.484   8.230  -3.899
  105   HG11  VAL  17          HG11      VAL  17   2.624   9.735  -6.367
  106   HG12  VAL  17          HG12      VAL  17   3.823  10.270  -5.191
  107   HG13  VAL  17          HG13      VAL  17   2.134  10.098  -4.713
  108   HG21  VAL  17          HG21      VAL  17   1.637   7.351  -6.114
  109   HG22  VAL  17          HG22      VAL  17   1.112   7.897  -4.522
  110   HG23  VAL  17          HG23      VAL  17   2.080   6.432  -4.675
  111    H    CYS  18           HN       CYS  18   6.165   7.111  -4.121
  112    HA   CYS  18           HA       CYS  18   7.559   9.652  -4.611
  113    HB2  CYS  18           HB2      CYS  18   7.510   7.893  -2.157
  114    HB3  CYS  18           HB1      CYS  18   8.513   9.330  -2.329
  115    H    GLY  19           HN       GLY  19   7.961   6.201  -4.608
  116    HA2  GLY  19           HA2      GLY  19   9.727   4.926  -5.416
  117    HA3  GLY  19           HA1      GLY  19  10.621   6.411  -5.723
  118    H    ASP  20           HN       ASP  20   9.316   6.298  -2.645
  119    HA   ASP  20           HA       ASP  20  11.865   5.426  -1.476
  120    HB2  ASP  20           HB2      ASP  20  11.922   7.825  -1.447
  121    HB3  ASP  20           HB1      ASP  20  10.265   7.917  -0.865
  122    H    GLY  21           HN       GLY  21  11.729   4.428   0.554
  123    HA2  GLY  21           HA2      GLY  21   8.981   3.669   1.333
  124    HA3  GLY  21           HA1      GLY  21  10.355   2.580   1.428
  125    H    THR  22           HN       THR  22  10.740   5.908   2.345
  126    HA   THR  22           HA       THR  22  11.447   5.133   5.025
  127    HB   THR  22           HB       THR  22  11.136   7.931   3.918
  128    HG1  THR  22           HG1      THR  22  12.673   7.100   2.625
  129   HG21  THR  22          HG21      THR  22  11.296   7.799   6.364
  130   HG22  THR  22          HG22      THR  22  12.738   8.536   5.665
  131   HG23  THR  22          HG23      THR  22  12.783   6.861   6.214
  132    H    ASP  23           HN       ASP  23  10.103   4.992   6.686
  133    HA   ASP  23           HA       ASP  23   8.204   5.010   7.929
  134    HB2  ASP  23           HB2      ASP  23   8.058   7.810   6.801
  135    HB3  ASP  23           HB1      ASP  23   6.976   7.209   8.051
  136    H    VAL  24           HN       VAL  24   7.857   3.585   5.743
  137    HA   VAL  24           HA       VAL  24   5.563   4.558   4.255
  138    HB   VAL  24           HB       VAL  24   7.579   3.334   3.235
  139   HG11  VAL  24          HG11      VAL  24   7.703   1.469   4.760
  140   HG12  VAL  24          HG12      VAL  24   7.411   0.902   3.116
  141   HG13  VAL  24          HG13      VAL  24   6.088   0.946   4.282
  142   HG21  VAL  24          HG21      VAL  24   5.565   3.897   2.008
  143   HG22  VAL  24          HG22      VAL  24   4.809   2.403   2.560
  144   HG23  VAL  24          HG23      VAL  24   6.216   2.339   1.500
  145    H    LEU  25           HN       LEU  25   3.541   3.553   4.233
  146    HA   LEU  25           HA       LEU  25   2.963   2.030   6.647
  147    HB2  LEU  25           HB2      LEU  25   1.092   3.250   4.612
  148    HB3  LEU  25           HB1      LEU  25   0.600   2.453   6.095
  149    HG   LEU  25           HG       LEU  25   2.126   5.043   5.850
  150   HD11  LEU  25          HD11      LEU  25  -0.611   4.426   6.947
  151   HD12  LEU  25          HD12      LEU  25  -0.269   5.178   5.389
  152   HD13  LEU  25          HD13      LEU  25   0.159   6.013   6.882
  153   HD21  LEU  25          HD21      LEU  25   2.986   3.816   7.747
  154   HD22  LEU  25          HD22      LEU  25   1.349   3.496   8.316
  155   HD23  LEU  25          HD23      LEU  25   1.970   5.145   8.305
  156    H    ARG  26           HN       ARG  26   1.889   0.064   6.622
  157    HA   ARG  26           HA       ARG  26   2.248  -1.455   4.126
  158    HB2  ARG  26           HB2      ARG  26   2.187  -2.505   6.962
  159    HB3  ARG  26           HB1      ARG  26   2.570  -3.422   5.513
  160    HG2  ARG  26           HG2      ARG  26   4.198  -1.142   6.611
  161    HG3  ARG  26           HG1      ARG  26   4.559  -2.855   6.822
  162    HD2  ARG  26           HD2      ARG  26   4.704  -3.070   4.353
  163    HD3  ARG  26           HD1      ARG  26   4.478  -1.328   4.224
  164    HE   ARG  26           HE       ARG  26   6.574  -1.094   5.498
  165   HH11  ARG  26          HH11      ARG  26   5.941  -4.136   3.878
  166   HH12  ARG  26          HH12      ARG  26   7.618  -4.560   3.756
  167   HH21  ARG  26          HH21      ARG  26   8.773  -1.656   5.348
  168   HH22  ARG  26          HH22      ARG  26   9.230  -3.152   4.593
  169    H    CYS  27           HN       CYS  27   0.604  -2.853   3.467
  170    HA   CYS  27           HA       CYS  27  -2.031  -2.279   4.476
  171    HB2  CYS  27           HB2      CYS  27  -1.375  -2.819   2.024
  172    HB3  CYS  27           HB1      CYS  27  -1.369  -4.510   2.536
  173    H    THR  28           HN       THR  28  -3.271  -3.577   5.788
  174    HA   THR  28           HA       THR  28  -1.861  -5.714   7.165
  175    HB   THR  28           HB       THR  28  -3.853  -5.751   8.653
  176    HG1  THR  28           HG1      THR  28  -5.572  -4.524   8.234
  177   HG21  THR  28          HG21      THR  28  -1.970  -4.306   9.203
  178   HG22  THR  28          HG22      THR  28  -3.488  -3.531   9.654
  179   HG23  THR  28          HG23      THR  28  -2.638  -3.022   8.196
  180    H    HIS  29           HN       HIS  29  -4.278  -5.310   4.752
  181    HA   HIS  29           HA       HIS  29  -5.322  -8.004   5.088
  182    HB2  HIS  29           HB2      HIS  29  -6.078  -5.712   3.288
  183    HB3  HIS  29           HB1      HIS  29  -6.749  -7.323   3.069
  184    HD1  HIS  29           HD1      HIS  29  -9.131  -6.795   3.737
  185    HD2  HIS  29           HD2      HIS  29  -6.352  -5.669   6.619
  186    HE1  HIS  29           HE1      HIS  29 -10.477  -6.141   5.755
  187    HE2  HIS  29           HE2      HIS  29  -8.769  -5.655   7.541
  188    H    CYS  30           HN       CYS  30  -2.989  -6.350   3.199
  189    HA   CYS  30           HA       CYS  30  -2.202  -8.869   2.026
  190    HB2  CYS  30           HB2      CYS  30  -2.262  -8.250  -0.240
  191    HB3  CYS  30           HB1      CYS  30  -3.798  -7.662   0.380
  192    H    ALA  31           HN       ALA  31  -0.183  -8.004   0.408
  193    HA   ALA  31           HA       ALA  31   1.541  -6.624   2.329
  194    HB1  ALA  31           HB1      ALA  31   3.420  -7.697   1.207
  195    HB2  ALA  31           HB2      ALA  31   2.318  -8.431   0.043
  196    HB3  ALA  31           HB3      ALA  31   2.243  -8.895   1.742
  197    H    ALA  32           HN       ALA  32   1.920  -4.567   1.899
  198    HA   ALA  32           HA       ALA  32   2.751  -3.671  -0.683
  199    HB1  ALA  32           HB1      ALA  32   0.952  -2.071  -1.081
  200    HB2  ALA  32           HB2      ALA  32   0.093  -2.668   0.339
  201    HB3  ALA  32           HB3      ALA  32   0.327  -3.719  -1.056
  202    H    ALA  33           HN       ALA  33   3.545  -1.524  -0.648
  203    HA   ALA  33           HA       ALA  33   3.731  -0.271   2.017
  204    HB1  ALA  33           HB1      ALA  33   6.051   0.277   1.584
  205    HB2  ALA  33           HB2      ALA  33   5.971  -0.523   0.015
  206    HB3  ALA  33           HB3      ALA  33   5.813  -1.467   1.495
  207    H    PHE  34           HN       PHE  34   2.868   1.681   1.960
  208    HA   PHE  34           HA       PHE  34   3.492   3.521  -0.171
  209    HB2  PHE  34           HB2      PHE  34   1.158   3.989  -0.784
  210    HB3  PHE  34           HB1      PHE  34   1.590   2.325  -1.155
  211    HD1  PHE  34           HD2      PHE  34   0.771   0.487   0.313
  212    HD2  PHE  34           HD1      PHE  34  -0.593   4.500   0.715
  213    HE1  PHE  34           HE2      PHE  34  -1.165  -0.304   1.606
  214    HE2  PHE  34           HE1      PHE  34  -2.531   3.714   2.010
  215    HZ   PHE  34           HZ       PHE  34  -2.847   1.307   2.413
  216    H    HIS  35           HN       HIS  35   2.962   5.701   0.375
  217    HA   HIS  35           HA       HIS  35   2.475   6.159   3.203
  218    HB2  HIS  35           HB2      HIS  35   2.814   8.214   1.000
  219    HB3  HIS  35           HB1      HIS  35   2.875   8.516   2.732
  220    HD2  HIS  35           HD2      HIS  35   5.047   6.213   3.546
  221    HE1  HIS  35           HE1      HIS  35   7.481   8.166   0.682
  222    HE2  HIS  35           HE2      HIS  35   7.477   6.765   2.804
  223    H    TRP  36           HN       TRP  36   0.535   6.875   4.037
  224    HA   TRP  36           HA       TRP  36  -1.793   6.189   2.742
  225    HB2  TRP  36           HB2      TRP  36  -1.597   6.614   5.194
  226    HB3  TRP  36           HB1      TRP  36  -1.597   8.343   4.858
  227    HD1  TRP  36           HD1      TRP  36  -3.909   9.448   4.984
  228    HE1  TRP  36           HE1      TRP  36  -6.352   8.657   4.840
  229    HE3  TRP  36           HE3      TRP  36  -3.085   4.518   3.943
  230    HZ2  TRP  36           HZ2      TRP  36  -7.743   6.248   4.343
  231    HZ3  TRP  36           HZ3      TRP  36  -5.025   3.034   3.649
  232    HH2  TRP  36           HH2      TRP  36  -7.304   3.884   3.846
  233    H    ARG  37           HN       ARG  37  -0.473   9.473   3.070
  234    HA   ARG  37           HA       ARG  37  -2.573  10.797   1.759
  235    HB2  ARG  37           HB2      ARG  37   0.315  11.626   2.055
  236    HB3  ARG  37           HB1      ARG  37  -0.996  12.688   1.566
  237    HG2  ARG  37           HG2      ARG  37  -2.082  12.338   3.730
  238    HG3  ARG  37           HG1      ARG  37  -0.749  11.283   4.213
  239    HD2  ARG  37           HD2      ARG  37  -0.521  13.575   5.095
  240    HD3  ARG  37           HD1      ARG  37   0.815  13.108   4.045
  241    HE   ARG  37           HE       ARG  37  -1.379  14.611   2.842
  242   HH11  ARG  37          HH11      ARG  37   1.876  14.613   4.126
  243   HH12  ARG  37          HH12      ARG  37   2.327  16.087   3.331
  244   HH21  ARG  37          HH21      ARG  37  -0.805  16.571   1.823
  245   HH22  ARG  37          HH22      ARG  37   0.797  17.209   2.025
  246    H    CYS  38           HN       CYS  38   0.085   9.015   0.486
  247    HA   CYS  38           HA       CYS  38   0.113  10.338  -2.069
  248    HB2  CYS  38           HB2      CYS  38   1.413   7.747  -1.214
  249    HB3  CYS  38           HB1      CYS  38   1.771   8.656  -2.682
  250    H    HIS  39           HN       HIS  39  -1.597   7.737  -0.621
  251    HA   HIS  39           HA       HIS  39  -2.590   6.830  -3.242
  252    HB2  HIS  39           HB2      HIS  39  -2.392   5.559  -0.553
  253    HB3  HIS  39           HB1      HIS  39  -3.722   5.076  -1.594
  254    HD1  HIS  39           HD1      HIS  39  -3.013   2.806  -2.253
  255    HD2  HIS  39           HD2      HIS  39   0.005   5.599  -2.813
  256    HE1  HIS  39           HE1      HIS  39  -1.149   1.547  -3.364
  257    HE2  HIS  39           HE2      HIS  39   0.611   3.301  -3.847
  258    H    PHE  40           HN       PHE  40  -3.618   7.949  -0.064
  259    HA   PHE  40           HA       PHE  40  -6.300   8.486  -1.159
  260    HB2  PHE  40           HB2      PHE  40  -5.516   7.779   1.681
  261    HB3  PHE  40           HB1      PHE  40  -7.142   8.195   1.157
  262    HD1  PHE  40           HD1      PHE  40  -4.451   5.687   0.830
  263    HD2  PHE  40           HD2      PHE  40  -8.563   6.572   0.197
  264    HE1  PHE  40           HE1      PHE  40  -4.879   3.320   0.316
  265    HE2  PHE  40           HE2      PHE  40  -8.998   4.207  -0.316
  266    HZ   PHE  40           HZ       PHE  40  -7.169   2.571  -0.211
  267    HA   PRO  41           HA       PRO  41  -5.363  12.754  -0.191
  268    HB2  PRO  41           HB2      PRO  41  -8.284  13.116  -0.101
  269    HB3  PRO  41           HB1      PRO  41  -7.095  13.870  -1.165
  270    HG2  PRO  41           HG2      PRO  41  -8.817  12.023  -2.070
  271    HG3  PRO  41           HG1      PRO  41  -7.158  12.132  -2.687
  272    HD2  PRO  41           HD2      PRO  41  -8.317  10.225  -0.690
  273    HD3  PRO  41           HD1      PRO  41  -7.176   9.915  -2.017
  274    H    ALA  42           HN       ALA  42  -5.709  14.251   1.527
  275    HA   ALA  42           HA       ALA  42  -5.742  12.983   4.047
  276    HB1  ALA  42           HB1      ALA  42  -4.377  14.947   3.583
  277    HB2  ALA  42           HB2      ALA  42  -5.424  15.207   4.977
  278    HB3  ALA  42           HB3      ALA  42  -5.832  15.927   3.421
  279    H    GLY  43           HN       GLY  43  -8.298  14.191   2.153
  280    HA2  GLY  43           HA2      GLY  43 -10.136  14.765   4.257
  281    HA3  GLY  43           HA1      GLY  43 -10.552  14.407   2.586
  282    H    THR  44           HN       THR  44  -8.990  11.879   2.750
  283    HA   THR  44           HA       THR  44 -11.114  10.213   3.799
  284    HB   THR  44           HB       THR  44  -8.532   9.501   2.383
  285    HG1  THR  44           HG1      THR  44 -10.868   9.006   1.062
  286   HG21  THR  44          HG21      THR  44 -10.932   7.763   2.973
  287   HG22  THR  44          HG22      THR  44  -9.377   7.660   3.794
  288   HG23  THR  44          HG23      THR  44  -9.493   7.285   2.075
  289    H    SER  45           HN       SER  45 -11.074   9.271   5.750
  290    HA   SER  45           HA       SER  45  -8.766   9.721   7.446
  291    HB2  SER  45           HB2      SER  45 -11.434   8.459   8.122
  292    HB3  SER  45           HB1      SER  45 -10.227   9.043   9.267
  293    HG   SER  45           HG       SER  45 -12.197  10.404   8.101
  294    H    ARG  46           HN       ARG  46  -7.362   8.200   8.094
  295    HA   ARG  46           HA       ARG  46  -7.304   5.733   6.693
  296    HB2  ARG  46           HB2      ARG  46  -5.224   5.318   7.862
  297    HB3  ARG  46           HB1      ARG  46  -5.264   6.977   7.293
  298    HG2  ARG  46           HG2      ARG  46  -6.015   7.602   9.637
  299    HG3  ARG  46           HG1      ARG  46  -5.560   5.960  10.095
  300    HD2  ARG  46           HD2      ARG  46  -3.697   7.385  10.554
  301    HD3  ARG  46           HD1      ARG  46  -3.297   6.399   9.148
  302    HE   ARG  46           HE       ARG  46  -4.419   9.010   8.574
  303   HH11  ARG  46          HH11      ARG  46  -1.507   7.084   8.939
  304   HH12  ARG  46          HH12      ARG  46  -0.508   8.218   8.087
  305   HH21  ARG  46          HH21      ARG  46  -3.098  10.498   7.460
  306   HH22  ARG  46          HH22      ARG  46  -1.408  10.162   7.257
  307    HA   PRO  47           HA       PRO  47  -9.790   3.309   9.389
  308    HB2  PRO  47           HB2      PRO  47  -8.923   0.851   8.563
  309    HB3  PRO  47           HB1      PRO  47 -10.065   1.843   7.652
  310    HG2  PRO  47           HG2      PRO  47  -7.119   1.504   7.264
  311    HG3  PRO  47           HG1      PRO  47  -8.407   1.583   6.048
  312    HD2  PRO  47           HD2      PRO  47  -6.820   3.698   6.602
  313    HD3  PRO  47           HD1      PRO  47  -8.523   3.887   6.139
  314    H    GLY  48           HN       GLY  48  -9.556   2.707  11.441
  315    HA2  GLY  48           HA2      GLY  48  -6.864   2.250  12.477
  316    HA3  GLY  48           HA1      GLY  48  -8.313   2.533  13.431
  317    H    THR  49           HN       THR  49  -9.506   0.445  11.429
  318    HA   THR  49           HA       THR  49  -8.979  -1.829  13.158
  319    HB   THR  49           HB       THR  49 -10.786  -2.885  11.658
  320    HG1  THR  49           HG1      THR  49 -11.597  -1.667  10.122
  321   HG21  THR  49          HG21      THR  49 -12.583  -1.720  12.861
  322   HG22  THR  49          HG22      THR  49 -11.447  -0.455  13.323
  323   HG23  THR  49          HG23      THR  49 -11.230  -2.098  13.925
  324    H    GLY  50           HN       GLY  50  -7.270  -0.641  10.796
  325    HA2  GLY  50           HA2      GLY  50  -5.537  -2.444  10.151
  326    HA3  GLY  50           HA1      GLY  50  -6.912  -3.138   9.302
  327    H    LEU  51           HN       LEU  51  -4.254  -1.231   8.960
  328    HA   LEU  51           HA       LEU  51  -5.114   0.764   7.171
  329    HB2  LEU  51           HB2      LEU  51  -2.824   0.337   8.397
  330    HB3  LEU  51           HB1      LEU  51  -2.431  -0.546   6.939
  331    HG   LEU  51           HG       LEU  51  -1.562   1.770   6.949
  332   HD11  LEU  51          HD11      LEU  51  -3.644   1.233   4.843
  333   HD12  LEU  51          HD12      LEU  51  -1.974   0.666   4.830
  334   HD13  LEU  51          HD13      LEU  51  -2.321   2.392   4.716
  335   HD21  LEU  51          HD21      LEU  51  -3.057   3.654   6.720
  336   HD22  LEU  51          HD22      LEU  51  -3.397   2.794   8.224
  337   HD23  LEU  51          HD23      LEU  51  -4.459   2.589   6.830
  338    H    ARG  52           HN       ARG  52  -5.814   0.618   5.128
  339    HA   ARG  52           HA       ARG  52  -5.454  -1.956   3.740
  340    HB2  ARG  52           HB2      ARG  52  -7.884  -0.160   3.759
  341    HB3  ARG  52           HB1      ARG  52  -7.705  -1.594   2.759
  342    HG2  ARG  52           HG2      ARG  52  -7.586  -2.986   4.749
  343    HG3  ARG  52           HG1      ARG  52  -7.719  -1.551   5.770
  344    HD2  ARG  52           HD2      ARG  52  -9.787  -2.515   3.797
  345    HD3  ARG  52           HD1      ARG  52  -9.865  -2.712   5.546
  346    HE   ARG  52           HE       ARG  52  -9.565   0.020   4.864
  347   HH11  ARG  52          HH11      ARG  52 -11.926  -2.562   4.886
  348   HH12  ARG  52          HH12      ARG  52 -13.286  -1.494   5.059
  349   HH21  ARG  52          HH21      ARG  52 -11.349   1.437   5.079
  350   HH22  ARG  52          HH22      ARG  52 -12.952   0.784   5.174
  351    H    CYS  53           HN       CYS  53  -4.648  -1.862   1.744
  352    HA   CYS  53           HA       CYS  53  -4.159   0.649   0.433
  353    HB2  CYS  53           HB2      CYS  53  -3.047  -0.611  -1.252
  354    HB3  CYS  53           HB1      CYS  53  -2.698  -1.451   0.260
  355    H    ARG  54           HN       ARG  54  -4.953   0.967  -1.887
  356    HA   ARG  54           HA       ARG  54  -7.651   1.405  -1.838
  357    HB2  ARG  54           HB2      ARG  54  -7.547   1.838  -4.231
  358    HB3  ARG  54           HB1      ARG  54  -6.137   2.502  -3.420
  359    HG2  ARG  54           HG2      ARG  54  -4.772   0.674  -4.200
  360    HG3  ARG  54           HG1      ARG  54  -6.184  -0.114  -4.907
  361    HD2  ARG  54           HD2      ARG  54  -6.477   1.853  -6.390
  362    HD3  ARG  54           HD1      ARG  54  -4.984   2.525  -5.735
  363    HE   ARG  54           HE       ARG  54  -4.549  -0.097  -6.706
  364   HH11  ARG  54          HH11      ARG  54  -5.070   3.183  -7.825
  365   HH12  ARG  54          HH12      ARG  54  -4.217   2.934  -9.316
  366   HH21  ARG  54          HH21      ARG  54  -3.444  -0.429  -8.659
  367   HH22  ARG  54          HH22      ARG  54  -3.293   0.878  -9.791
  368    H    SER  55           HN       SER  55  -6.028  -1.472  -3.100
  369    HA   SER  55           HA       SER  55  -8.277  -2.624  -4.346
  370    HB2  SER  55           HB2      SER  55  -5.960  -4.112  -3.097
  371    HB3  SER  55           HB1      SER  55  -6.968  -4.630  -4.449
  372    HG   SER  55           HG       SER  55  -6.104  -2.889  -5.661
  373    H    CYS  56           HN       CYS  56  -6.869  -3.106  -1.125
  374    HA   CYS  56           HA       CYS  56  -8.826  -5.023  -0.335
  375    HB2  CYS  56           HB2      CYS  56  -6.827  -3.468   1.315
  376    HB3  CYS  56           HB1      CYS  56  -7.779  -4.832   1.895
  377    H    SER  57           HN       SER  57  -8.553  -1.544  -0.067
  378    HA   SER  57           HA       SER  57 -10.730  -1.349   1.824
  379    HB2  SER  57           HB2      SER  57 -10.489   1.139   1.323
  380    HB3  SER  57           HB1      SER  57  -9.078   0.351   2.026
  381    HG   SER  57           HG       SER  57  -9.475   1.350  -0.551
  382    H    GLY  58           HN       GLY  58 -10.623  -2.138  -1.331
  383    HA2  GLY  58           HA2      GLY  58 -12.809  -0.596  -2.353
  384    HA3  GLY  58           HA1      GLY  58 -12.129  -2.047  -3.075
  385    H    ASP  59           HN       ASP  59 -12.513  -3.364  -0.355
  386    HA   ASP  59           HA       ASP  59 -15.296  -4.134  -0.774
  387    HB2  ASP  59           HB2      ASP  59 -13.674  -5.953  -0.557
  388    HB3  ASP  59           HB1      ASP  59 -13.159  -5.331   1.008
  389    H    VAL  60           HN       VAL  60 -16.146  -2.140  -0.006
  390    HA   VAL  60           HA       VAL  60 -15.753  -1.499   2.806
  391    HB   VAL  60           HB       VAL  60 -17.538  -0.152   0.763
  392   HG11  VAL  60          HG11      VAL  60 -16.632   0.767   3.491
  393   HG12  VAL  60          HG12      VAL  60 -18.260   0.241   3.062
  394   HG13  VAL  60          HG13      VAL  60 -17.590   1.711   2.351
  395   HG21  VAL  60          HG21      VAL  60 -15.796   1.572   0.661
  396   HG22  VAL  60          HG22      VAL  60 -15.195   0.004   0.123
  397   HG23  VAL  60          HG23      VAL  60 -14.783   0.603   1.730
  398    H    THR  61           HN       THR  61 -16.906  -2.544   4.277
  399    HA   THR  61           HA       THR  61 -19.288  -3.982   3.659
  400    HB   THR  61           HB       THR  61 -18.257  -3.234   6.401
  401    HG1  THR  61           HG1      THR  61 -16.587  -4.401   5.784
  402   HG21  THR  61          HG21      THR  61 -19.917  -5.575   5.456
  403   HG22  THR  61          HG22      THR  61 -20.533  -4.175   6.333
  404   HG23  THR  61          HG23      THR  61 -19.394  -5.273   7.112
  405    HA   PRO  62           HA       PRO  62 -21.808  -0.302   4.026
  406    HB2  PRO  62           HB2      PRO  62 -24.109  -1.376   3.141
  407    HB3  PRO  62           HB1      PRO  62 -22.765  -1.014   2.052
  408    HG2  PRO  62           HG2      PRO  62 -23.590  -3.633   3.237
  409    HG3  PRO  62           HG1      PRO  62 -23.047  -3.269   1.589
  410    HD2  PRO  62           HD2      PRO  62 -21.432  -4.341   3.526
  411    HD3  PRO  62           HD1      PRO  62 -20.833  -3.372   2.165
  412    H    ALA  63           HN       ALA  63 -23.381   0.484   5.397
  413    HA   ALA  63           HA       ALA  63 -24.282  -1.346   7.518
  414    HB1  ALA  63           HB1      ALA  63 -23.926   1.648   7.633
  415    HB2  ALA  63           HB2      ALA  63 -22.829   0.451   8.321
  416    HB3  ALA  63           HB3      ALA  63 -24.464   0.618   8.958
  417    HA   PRO  64           HA       PRO  64 -28.294  -0.610   5.593
  418    HB2  PRO  64           HB2      PRO  64 -29.298  -2.322   7.756
  419    HB3  PRO  64           HB1      PRO  64 -29.360  -2.573   6.010
  420    HG2  PRO  64           HG2      PRO  64 -27.764  -4.038   7.607
  421    HG3  PRO  64           HG1      PRO  64 -27.301  -3.603   5.952
  422    HD2  PRO  64           HD2      PRO  64 -26.435  -2.379   8.546
  423    HD3  PRO  64           HD1      PRO  64 -25.472  -2.761   7.103
  424    H    VAL  65           HN       VAL  65 -27.609   1.549   6.909
  425    HA   VAL  65           HA       VAL  65 -29.461   1.960   9.134
  426    HB   VAL  65           HB       VAL  65 -28.401   4.186   9.350
  427   HG11  VAL  65          HG11      VAL  65 -26.472   1.868   9.269
  428   HG12  VAL  65          HG12      VAL  65 -27.505   2.327  10.623
  429   HG13  VAL  65          HG13      VAL  65 -26.197   3.393  10.110
  430   HG21  VAL  65          HG21      VAL  65 -26.629   3.248   7.094
  431   HG22  VAL  65          HG22      VAL  65 -26.381   4.705   8.056
  432   HG23  VAL  65          HG23      VAL  65 -27.801   4.565   7.020
  433    H    GLU  66           HN       GLU  66 -30.875   3.852   9.105
  434    HA   GLU  66           HA       GLU  66 -31.809   4.473   6.382
  435    HB2  GLU  66           HB2      GLU  66 -33.308   2.901   7.598
  436    HB3  GLU  66           HB1      GLU  66 -33.518   4.113   8.853
  437    HG2  GLU  66           HG2      GLU  66 -35.420   4.191   7.437
  438    HG3  GLU  66           HG1      GLU  66 -34.464   5.638   7.131
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  20.503   6.836  -1.280
    2    H2   GLY   1           HT2      GLY   1  18.823   6.907  -1.436
    3    H3   GLY   1           HT3      GLY   1  19.801   6.929  -2.814
    4    HA2  GLY   1           HA1      GLY   1  18.816   4.760  -2.548
    5    HA3  GLY   1           HA2      GLY   1  20.560   4.692  -2.353
    6    H    ALA   2           HN       ALA   2  18.204   3.078  -1.286
    7    HA   ALA   2           HA       ALA   2  18.375   3.438   1.573
    8    HB1  ALA   2           HB1      ALA   2  16.278   2.717   0.531
    9    HB2  ALA   2           HB2      ALA   2  16.862   1.531   1.699
   10    HB3  ALA   2           HB3      ALA   2  17.066   1.242  -0.029
   11    H    MET   3           HN       MET   3  20.729   3.208   1.604
   12    HA   MET   3           HA       MET   3  21.633   0.425   1.358
   13    HB2  MET   3           HB2      MET   3  23.949   1.458   1.429
   14    HB3  MET   3           HB1      MET   3  22.991   1.787  -0.003
   15    HG2  MET   3           HG2      MET   3  24.027   3.813   0.545
   16    HG3  MET   3           HG1      MET   3  22.357   3.980   1.078
   17    HE1  MET   3           HE1      MET   3  24.488   6.031   2.085
   18    HE2  MET   3           HE2      MET   3  24.107   6.083   3.805
   19    HE3  MET   3           HE3      MET   3  22.809   5.999   2.616
   20    H    GLU   4           HN       GLU   4  20.533   2.494   3.647
   21    HA   GLU   4           HA       GLU   4  22.231   1.336   5.746
   22    HB2  GLU   4           HB2      GLU   4  20.322   3.678   5.835
   23    HB3  GLU   4           HB1      GLU   4  21.177   3.040   7.233
   24    HG2  GLU   4           HG2      GLU   4  23.315   3.520   6.083
   25    HG3  GLU   4           HG1      GLU   4  22.399   4.276   4.782
   26    H    GLY   5           HN       GLY   5  21.483  -0.304   6.887
   27    HA2  GLY   5           HA2      GLY   5  19.830  -1.412   8.191
   28    HA3  GLY   5           HA1      GLY   5  18.585  -0.612   7.242
   29    H    GLN   6           HN       GLN   6  21.003  -1.709   5.228
   30    HA   GLN   6           HA       GLN   6  19.294  -3.667   4.056
   31    HB2  GLN   6           HB2      GLN   6  21.130  -4.037   2.470
   32    HB3  GLN   6           HB1      GLN   6  20.785  -2.325   2.667
   33    HG2  GLN   6           HG2      GLN   6  22.710  -2.060   4.095
   34    HG3  GLN   6           HG1      GLN   6  23.025  -3.794   4.035
   35   HE21  GLN   6          HE21      GLN   6  23.848  -4.703   2.161
   36   HE22  GLN   6          HE22      GLN   6  24.575  -3.745   0.913
   37    H    GLN   7           HN       GLN   7  22.015  -3.746   6.236
   38    HA   GLN   7           HA       GLN   7  22.333  -6.616   6.062
   39    HB2  GLN   7           HB2      GLN   7  23.534  -4.609   7.984
   40    HB3  GLN   7           HB1      GLN   7  24.003  -6.299   7.855
   41    HG2  GLN   7           HG2      GLN   7  24.811  -5.953   5.614
   42    HG3  GLN   7           HG1      GLN   7  24.229  -4.291   5.627
   43   HE21  GLN   7          HE21      GLN   7  26.651  -6.485   6.782
   44   HE22  GLN   7          HE22      GLN   7  27.748  -5.284   7.367
   45    H    ASN   8           HN       ASN   8  20.031  -4.750   7.302
   46    HA   ASN   8           HA       ASN   8  19.509  -6.529   9.584
   47    HB2  ASN   8           HB2      ASN   8  18.531  -3.706   9.091
   48    HB3  ASN   8           HB1      ASN   8  18.038  -4.715  10.447
   49   HD21  ASN   8          HD21      ASN   8  19.421  -5.002  12.156
   50   HD22  ASN   8          HD22      ASN   8  20.892  -4.113  12.336
   51    H    LEU   9           HN       LEU   9  19.007  -7.156   6.866
   52    HA   LEU   9           HA       LEU   9  17.462  -7.927   5.422
   53    HB2  LEU   9           HB2      LEU   9  16.939  -9.085   7.664
   54    HB3  LEU   9           HB1      LEU   9  15.532  -8.045   7.714
   55    HG   LEU   9           HG       LEU   9  16.090  -9.936   5.426
   56   HD11  LEU   9          HD11      LEU   9  14.387 -10.377   7.874
   57   HD12  LEU   9          HD12      LEU   9  15.876 -11.231   7.465
   58   HD13  LEU   9          HD13      LEU   9  14.442 -11.429   6.459
   59   HD21  LEU   9          HD21      LEU   9  13.710  -9.654   4.958
   60   HD22  LEU   9          HD22      LEU   9  14.555  -8.105   4.913
   61   HD23  LEU   9          HD23      LEU   9  13.571  -8.533   6.313
   62    H    ALA  10           HN       ALA  10  17.136  -6.169   4.121
   63    HA   ALA  10           HA       ALA  10  15.299  -4.075   4.775
   64    HB1  ALA  10           HB1      ALA  10  16.468  -4.870   2.107
   65    HB2  ALA  10           HB2      ALA  10  17.154  -3.697   3.230
   66    HB3  ALA  10           HB3      ALA  10  15.609  -3.368   2.449
   67    HA   PRO  11           HA       PRO  11  11.715  -6.542   3.920
   68    HB2  PRO  11           HB2      PRO  11   9.848  -4.601   4.225
   69    HB3  PRO  11           HB1      PRO  11  10.685  -5.352   5.587
   70    HG2  PRO  11           HG2      PRO  11  11.229  -2.736   4.242
   71    HG3  PRO  11           HG1      PRO  11  11.214  -3.122   5.973
   72    HD2  PRO  11           HD2      PRO  11  13.505  -2.914   4.534
   73    HD3  PRO  11           HD1      PRO  11  13.339  -4.008   5.921
   74    H    GLY  12           HN       GLY  12  12.684  -3.813   2.088
   75    HA2  GLY  12           HA2      GLY  12  12.439  -3.421  -0.183
   76    HA3  GLY  12           HA1      GLY  12  11.423  -4.851  -0.285
   77    H    ALA  13           HN       ALA  13  10.577  -2.612   2.131
   78    HA   ALA  13           HA       ALA  13   8.073  -2.070   0.807
   79    HB1  ALA  13           HB1      ALA  13   9.059  -1.142   3.500
   80    HB2  ALA  13           HB2      ALA  13   8.151  -2.624   3.201
   81    HB3  ALA  13           HB3      ALA  13   7.401  -1.055   2.903
   82    H    ARG  14           HN       ARG  14   7.981  -0.506  -0.664
   83    HA   ARG  14           HA       ARG  14   9.037   2.129  -0.003
   84    HB2  ARG  14           HB2      ARG  14  10.872   1.074  -1.194
   85    HB3  ARG  14           HB1      ARG  14   9.791   0.602  -2.497
   86    HG2  ARG  14           HG2      ARG  14   9.422   2.956  -3.042
   87    HG3  ARG  14           HG1      ARG  14  10.519   3.424  -1.741
   88    HD2  ARG  14           HD2      ARG  14  11.639   3.452  -3.913
   89    HD3  ARG  14           HD1      ARG  14  12.339   2.246  -2.836
   90    HE   ARG  14           HE       ARG  14  10.407   1.548  -4.954
   91   HH11  ARG  14          HH11      ARG  14  13.380   0.958  -3.193
   92   HH12  ARG  14          HH12      ARG  14  13.790  -0.454  -4.110
   93   HH21  ARG  14          HH21      ARG  14  10.946  -0.325  -6.150
   94   HH22  ARG  14          HH22      ARG  14  12.398  -1.198  -5.765
   95    H    CYS  15           HN       CYS  15   7.641   3.667  -0.560
   96    HA   CYS  15           HA       CYS  15   5.199   3.093  -1.904
   97    HB2  CYS  15           HB2      CYS  15   5.241   4.796  -0.203
   98    HB3  CYS  15           HB1      CYS  15   6.515   5.673  -1.035
   99    H    GLY  16           HN       GLY  16   5.171   2.657  -4.022
  100    HA2  GLY  16           HA2      GLY  16   7.197   3.365  -5.839
  101    HA3  GLY  16           HA1      GLY  16   5.610   2.752  -6.269
  102    H    VAL  17           HN       VAL  17   4.357   5.071  -4.837
  103    HA   VAL  17           HA       VAL  17   4.128   6.827  -7.043
  104    HB   VAL  17           HB       VAL  17   3.357   7.360  -4.165
  105   HG11  VAL  17          HG11      VAL  17   2.327   8.569  -6.730
  106   HG12  VAL  17          HG12      VAL  17   3.370   9.367  -5.553
  107   HG13  VAL  17          HG13      VAL  17   1.725   8.914  -5.108
  108   HG21  VAL  17          HG21      VAL  17   1.127   6.542  -4.804
  109   HG22  VAL  17          HG22      VAL  17   2.358   5.285  -4.930
  110   HG23  VAL  17          HG23      VAL  17   1.762   6.083  -6.384
  111    H    CYS  18           HN       CYS  18   6.180   6.782  -4.222
  112    HA   CYS  18           HA       CYS  18   7.132   9.491  -4.852
  113    HB2  CYS  18           HB2      CYS  18   7.298   7.918  -2.278
  114    HB3  CYS  18           HB1      CYS  18   8.018   9.506  -2.529
  115    H    GLY  19           HN       GLY  19   8.138   6.172  -4.451
  116    HA2  GLY  19           HA2      GLY  19  10.129   5.210  -5.216
  117    HA3  GLY  19           HA1      GLY  19  10.786   6.823  -5.473
  118    H    ASP  20           HN       ASP  20   9.245   6.301  -2.493
  119    HA   ASP  20           HA       ASP  20  11.773   5.798  -1.104
  120    HB2  ASP  20           HB2      ASP  20  11.608   8.198  -1.103
  121    HB3  ASP  20           HB1      ASP  20   9.913   8.137  -0.634
  122    H    GLY  21           HN       GLY  21  11.555   4.746   0.874
  123    HA2  GLY  21           HA2      GLY  21   8.807   3.848   1.505
  124    HA3  GLY  21           HA1      GLY  21  10.235   2.837   1.686
  125    H    THR  22           HN       THR  22  10.429   6.177   2.591
  126    HA   THR  22           HA       THR  22  10.917   5.441   5.339
  127    HB   THR  22           HB       THR  22  10.725   8.224   4.176
  128    HG1  THR  22           HG1      THR  22  12.350   7.397   3.012
  129   HG21  THR  22          HG21      THR  22  12.184   7.152   6.596
  130   HG22  THR  22          HG22      THR  22  10.691   8.089   6.627
  131   HG23  THR  22          HG23      THR  22  12.183   8.827   6.044
  132    H    ASP  23           HN       ASP  23   9.484   5.509   6.955
  133    HA   ASP  23           HA       ASP  23   7.493   5.632   8.042
  134    HB2  ASP  23           HB2      ASP  23   7.381   8.254   6.538
  135    HB3  ASP  23           HB1      ASP  23   6.200   7.788   7.757
  136    H    VAL  24           HN       VAL  24   7.412   3.935   6.015
  137    HA   VAL  24           HA       VAL  24   5.237   4.603   4.206
  138    HB   VAL  24           HB       VAL  24   7.360   3.427   3.454
  139   HG11  VAL  24          HG11      VAL  24   6.064   1.053   4.769
  140   HG12  VAL  24          HG12      VAL  24   7.566   1.827   5.269
  141   HG13  VAL  24          HG13      VAL  24   7.475   1.011   3.710
  142   HG21  VAL  24          HG21      VAL  24   6.237   2.090   1.820
  143   HG22  VAL  24          HG22      VAL  24   5.314   3.563   2.113
  144   HG23  VAL  24          HG23      VAL  24   4.784   2.033   2.814
  145    H    LEU  25           HN       LEU  25   3.259   3.603   4.167
  146    HA   LEU  25           HA       LEU  25   2.540   2.134   6.576
  147    HB2  LEU  25           HB2      LEU  25   0.893   3.363   4.369
  148    HB3  LEU  25           HB1      LEU  25   0.199   2.378   5.645
  149    HG   LEU  25           HG       LEU  25   1.635   5.010   6.002
  150   HD11  LEU  25          HD11      LEU  25  -0.579   5.245   5.043
  151   HD12  LEU  25          HD12      LEU  25  -0.565   5.808   6.714
  152   HD13  LEU  25          HD13      LEU  25  -1.257   4.235   6.319
  153   HD21  LEU  25          HD21      LEU  25   2.081   3.585   7.902
  154   HD22  LEU  25          HD22      LEU  25   0.372   3.171   8.033
  155   HD23  LEU  25          HD23      LEU  25   0.908   4.820   8.356
  156    H    ARG  26           HN       ARG  26   1.643   0.105   6.553
  157    HA   ARG  26           HA       ARG  26   2.174  -1.446   4.103
  158    HB2  ARG  26           HB2      ARG  26   3.615  -1.851   6.165
  159    HB3  ARG  26           HB1      ARG  26   2.170  -2.475   6.945
  160    HG2  ARG  26           HG2      ARG  26   3.388  -4.336   6.158
  161    HG3  ARG  26           HG1      ARG  26   2.003  -4.143   5.081
  162    HD2  ARG  26           HD2      ARG  26   3.386  -3.083   3.414
  163    HD3  ARG  26           HD1      ARG  26   4.771  -3.094   4.505
  164    HE   ARG  26           HE       ARG  26   4.058  -5.720   4.297
  165   HH11  ARG  26          HH11      ARG  26   4.861  -3.222   1.984
  166   HH12  ARG  26          HH12      ARG  26   5.576  -4.319   0.846
  167   HH21  ARG  26          HH21      ARG  26   5.012  -7.173   2.806
  168   HH22  ARG  26          HH22      ARG  26   5.679  -6.561   1.324
  169    H    CYS  27           HN       CYS  27   0.533  -2.743   3.331
  170    HA   CYS  27           HA       CYS  27  -2.091  -2.339   4.362
  171    HB2  CYS  27           HB2      CYS  27  -1.420  -2.872   1.926
  172    HB3  CYS  27           HB1      CYS  27  -1.354  -4.561   2.443
  173    H    THR  28           HN       THR  28  -3.351  -3.665   5.596
  174    HA   THR  28           HA       THR  28  -1.906  -5.654   7.155
  175    HB   THR  28           HB       THR  28  -4.027  -5.639   8.543
  176    HG1  THR  28           HG1      THR  28  -4.650  -3.259   7.129
  177   HG21  THR  28          HG21      THR  28  -3.538  -3.444   9.551
  178   HG22  THR  28          HG22      THR  28  -2.562  -3.027   8.142
  179   HG23  THR  28          HG23      THR  28  -2.067  -4.351   9.198
  180    H    HIS  29           HN       HIS  29  -4.127  -5.552   4.569
  181    HA   HIS  29           HA       HIS  29  -5.023  -8.294   5.106
  182    HB2  HIS  29           HB2      HIS  29  -6.130  -6.148   3.299
  183    HB3  HIS  29           HB1      HIS  29  -6.663  -7.822   3.218
  184    HD1  HIS  29           HD1      HIS  29  -8.645  -8.332   4.614
  185    HD2  HIS  29           HD2      HIS  29  -6.518  -5.075   6.082
  186    HE1  HIS  29           HE1      HIS  29  -9.965  -7.490   6.580
  187    HE2  HIS  29           HE2      HIS  29  -8.569  -5.634   7.553
  188    H    CYS  30           HN       CYS  30  -2.905  -6.491   3.151
  189    HA   CYS  30           HA       CYS  30  -2.043  -8.928   1.872
  190    HB2  CYS  30           HB2      CYS  30  -2.308  -8.308  -0.358
  191    HB3  CYS  30           HB1      CYS  30  -3.791  -7.693   0.361
  192    H    ALA  31           HN       ALA  31  -0.139  -7.940   0.202
  193    HA   ALA  31           HA       ALA  31   1.590  -6.503   2.075
  194    HB1  ALA  31           HB1      ALA  31   3.465  -7.454   0.833
  195    HB2  ALA  31           HB2      ALA  31   2.340  -8.226  -0.285
  196    HB3  ALA  31           HB3      ALA  31   2.380  -8.722   1.407
  197    H    ALA  32           HN       ALA  32   1.789  -4.417   1.669
  198    HA   ALA  32           HA       ALA  32   2.431  -3.464  -0.964
  199    HB1  ALA  32           HB1      ALA  32  -0.117  -2.491   0.336
  200    HB2  ALA  32           HB2      ALA  32  -0.028  -3.534  -1.084
  201    HB3  ALA  32           HB3      ALA  32   0.588  -1.884  -1.162
  202    H    ALA  33           HN       ALA  33   3.388  -1.436  -0.921
  203    HA   ALA  33           HA       ALA  33   3.763  -0.228   1.747
  204    HB1  ALA  33           HB1      ALA  33   6.072   0.225   1.193
  205    HB2  ALA  33           HB2      ALA  33   5.865  -0.522  -0.389
  206    HB3  ALA  33           HB3      ALA  33   5.752  -1.504   1.071
  207    H    PHE  34           HN       PHE  34   2.841   1.682   1.725
  208    HA   PHE  34           HA       PHE  34   3.403   3.576  -0.381
  209    HB2  PHE  34           HB2      PHE  34   1.044   4.016  -0.907
  210    HB3  PHE  34           HB1      PHE  34   1.476   2.359  -1.310
  211    HD1  PHE  34           HD2      PHE  34   0.717   0.500   0.151
  212    HD2  PHE  34           HD1      PHE  34  -0.624   4.501   0.704
  213    HE1  PHE  34           HE2      PHE  34  -1.157  -0.318   1.516
  214    HE2  PHE  34           HE1      PHE  34  -2.499   3.687   2.072
  215    HZ   PHE  34           HZ       PHE  34  -2.767   1.274   2.476
  216    H    HIS  35           HN       HIS  35   2.708   5.738   0.213
  217    HA   HIS  35           HA       HIS  35   2.309   6.065   3.089
  218    HB2  HIS  35           HB2      HIS  35   2.629   8.239   1.002
  219    HB3  HIS  35           HB1      HIS  35   2.744   8.425   2.746
  220    HD2  HIS  35           HD2      HIS  35   4.979   6.384   3.587
  221    HE1  HIS  35           HE1      HIS  35   7.247   7.969   0.381
  222    HE2  HIS  35           HE2      HIS  35   7.360   6.866   2.671
  223    H    TRP  36           HN       TRP  36   0.445   7.060   3.937
  224    HA   TRP  36           HA       TRP  36  -1.958   6.304   2.865
  225    HB2  TRP  36           HB2      TRP  36  -1.629   7.046   5.208
  226    HB3  TRP  36           HB1      TRP  36  -1.535   8.711   4.649
  227    HD1  TRP  36           HD1      TRP  36  -3.744  10.002   4.681
  228    HE1  TRP  36           HE1      TRP  36  -6.238   9.383   4.823
  229    HE3  TRP  36           HE3      TRP  36  -3.326   4.914   4.417
  230    HZ2  TRP  36           HZ2      TRP  36  -7.816   7.042   4.818
  231    HZ3  TRP  36           HZ3      TRP  36  -5.377   3.556   4.495
  232    HH2  TRP  36           HH2      TRP  36  -7.576   4.601   4.693
  233    H    ARG  37           HN       ARG  37  -0.542   9.555   2.652
  234    HA   ARG  37           HA       ARG  37  -2.648  10.777   1.254
  235    HB2  ARG  37           HB2      ARG  37   0.294  11.465   1.288
  236    HB3  ARG  37           HB1      ARG  37  -0.977  12.518   0.685
  237    HG2  ARG  37           HG2      ARG  37  -1.933  12.720   2.868
  238    HG3  ARG  37           HG1      ARG  37  -0.826  11.502   3.509
  239    HD2  ARG  37           HD2      ARG  37  -0.101  13.760   4.094
  240    HD3  ARG  37           HD1      ARG  37   1.067  12.956   3.053
  241    HE   ARG  37           HE       ARG  37  -0.662  14.451   1.435
  242   HH11  ARG  37          HH11      ARG  37   1.826  14.949   3.850
  243   HH12  ARG  37          HH12      ARG  37   2.285  16.505   3.242
  244   HH21  ARG  37          HH21      ARG  37  -0.031  16.496   0.610
  245   HH22  ARG  37          HH22      ARG  37   1.247  17.374   1.386
  246    H    CYS  38           HN       CYS  38  -0.258   8.609   0.150
  247    HA   CYS  38           HA       CYS  38  -0.196   9.604  -2.560
  248    HB2  CYS  38           HB2      CYS  38   1.032   7.066  -1.475
  249    HB3  CYS  38           HB1      CYS  38   1.511   7.971  -2.918
  250    H    HIS  39           HN       HIS  39  -2.004   7.331  -0.739
  251    HA   HIS  39           HA       HIS  39  -3.136   6.242  -3.235
  252    HB2  HIS  39           HB2      HIS  39  -2.553   4.992  -0.620
  253    HB3  HIS  39           HB1      HIS  39  -4.068   4.521  -1.381
  254    HD1  HIS  39           HD1      HIS  39  -3.870   2.586  -2.872
  255    HD2  HIS  39           HD2      HIS  39  -0.294   4.668  -2.612
  256    HE1  HIS  39           HE1      HIS  39  -2.214   1.221  -4.160
  257    HE2  HIS  39           HE2      HIS  39  -0.113   2.614  -4.171
  258    H    PHE  40           HN       PHE  40  -3.833   7.739  -0.158
  259    HA   PHE  40           HA       PHE  40  -6.653   7.995  -0.965
  260    HB2  PHE  40           HB2      PHE  40  -5.576   7.475   1.818
  261    HB3  PHE  40           HB1      PHE  40  -7.258   7.834   1.443
  262    HD1  PHE  40           HD2      PHE  40  -8.655   6.198   0.307
  263    HD2  PHE  40           HD1      PHE  40  -4.624   5.321   1.349
  264    HE1  PHE  40           HE2      PHE  40  -9.087   3.804  -0.048
  265    HE2  PHE  40           HE1      PHE  40  -5.051   2.924   0.996
  266    HZ   PHE  40           HZ       PHE  40  -7.285   2.164   0.297
  267    HA   PRO  41           HA       PRO  41  -6.037  12.329  -0.288
  268    HB2  PRO  41           HB2      PRO  41  -8.576  13.059   0.364
  269    HB3  PRO  41           HB1      PRO  41  -8.073  12.693  -1.289
  270    HG2  PRO  41           HG2      PRO  41  -9.505  10.959   0.684
  271    HG3  PRO  41           HG1      PRO  41  -9.808  11.168  -1.051
  272    HD2  PRO  41           HD2      PRO  41  -8.463   9.046  -0.066
  273    HD3  PRO  41           HD1      PRO  41  -8.089   9.755  -1.648
  274    H    ALA  42           HN       ALA  42  -5.718  13.747   1.354
  275    HA   ALA  42           HA       ALA  42  -5.335  12.645   3.930
  276    HB1  ALA  42           HB1      ALA  42  -5.234  15.536   3.087
  277    HB2  ALA  42           HB2      ALA  42  -3.895  14.391   3.006
  278    HB3  ALA  42           HB3      ALA  42  -4.564  14.858   4.570
  279    H    GLY  43           HN       GLY  43  -8.079  14.050   2.478
  280    HA2  GLY  43           HA2      GLY  43  -9.405  15.000   4.797
  281    HA3  GLY  43           HA1      GLY  43 -10.183  14.458   3.316
  282    H    THR  44           HN       THR  44  -8.931  11.819   3.433
  283    HA   THR  44           HA       THR  44 -10.748  10.540   5.278
  284    HB   THR  44           HB       THR  44  -8.639   9.233   3.544
  285    HG1  THR  44           HG1      THR  44 -11.198  10.250   2.945
  286   HG21  THR  44          HG21      THR  44 -11.240   8.168   4.651
  287   HG22  THR  44          HG22      THR  44  -9.647   7.834   5.324
  288   HG23  THR  44          HG23      THR  44 -10.055   7.269   3.705
  289    H    SER  45           HN       SER  45 -10.165   9.461   7.152
  290    HA   SER  45           HA       SER  45  -7.624  10.325   8.255
  291    HB2  SER  45           HB2      SER  45  -9.769  10.574   9.523
  292    HB3  SER  45           HB1      SER  45  -9.863   8.817   9.625
  293    HG   SER  45           HG       SER  45  -8.835   9.310  11.448
  294    H    ARG  46           HN       ARG  46  -6.016   9.026   8.930
  295    HA   ARG  46           HA       ARG  46  -5.730   6.491   7.656
  296    HB2  ARG  46           HB2      ARG  46  -3.829   7.976   7.926
  297    HB3  ARG  46           HB1      ARG  46  -4.027   7.969   9.670
  298    HG2  ARG  46           HG2      ARG  46  -3.461   5.582   9.709
  299    HG3  ARG  46           HG1      ARG  46  -3.224   5.625   7.960
  300    HD2  ARG  46           HD2      ARG  46  -1.099   5.811   9.171
  301    HD3  ARG  46           HD1      ARG  46  -1.440   7.254   8.218
  302    HE   ARG  46           HE       ARG  46  -2.419   7.644  10.819
  303   HH11  ARG  46          HH11      ARG  46   0.623   7.409   9.098
  304   HH12  ARG  46          HH12      ARG  46   1.503   8.330  10.274
  305   HH21  ARG  46          HH21      ARG  46  -1.279   8.880  12.347
  306   HH22  ARG  46          HH22      ARG  46   0.418   9.173  12.127
  307    HA   PRO  47           HA       PRO  47  -7.805   4.443  11.071
  308    HB2  PRO  47           HB2      PRO  47  -7.937   1.996   9.923
  309    HB3  PRO  47           HB1      PRO  47  -9.026   3.318   9.485
  310    HG2  PRO  47           HG2      PRO  47  -6.578   2.333   8.080
  311    HG3  PRO  47           HG1      PRO  47  -8.132   2.845   7.398
  312    HD2  PRO  47           HD2      PRO  47  -5.920   4.433   7.442
  313    HD3  PRO  47           HD1      PRO  47  -7.577   5.069   7.481
  314    H    GLY  48           HN       GLY  48  -7.139   3.246  12.767
  315    HA2  GLY  48           HA2      GLY  48  -4.461   2.019  12.584
  316    HA3  GLY  48           HA1      GLY  48  -5.172   2.653  14.063
  317    H    THR  49           HN       THR  49  -7.468   1.108  12.213
  318    HA   THR  49           HA       THR  49  -7.191  -1.364  13.783
  319    HB   THR  49           HB       THR  49  -9.722  -1.510  13.519
  320    HG1  THR  49           HG1      THR  49 -10.612   0.012  12.367
  321   HG21  THR  49          HG21      THR  49  -8.655  -0.890  15.639
  322   HG22  THR  49          HG22      THR  49 -10.157   0.003  15.396
  323   HG23  THR  49          HG23      THR  49  -8.605   0.796  15.122
  324    H    GLY  50           HN       GLY  50  -6.049  -0.878  11.166
  325    HA2  GLY  50           HA2      GLY  50  -5.961  -2.980   9.760
  326    HA3  GLY  50           HA1      GLY  50  -7.682  -2.713   9.528
  327    H    LEU  51           HN       LEU  51  -4.511  -1.256   9.022
  328    HA   LEU  51           HA       LEU  51  -5.353   0.694   7.155
  329    HB2  LEU  51           HB2      LEU  51  -3.105   0.366   8.495
  330    HB3  LEU  51           HB1      LEU  51  -2.628  -0.555   7.086
  331    HG   LEU  51           HG       LEU  51  -1.789   1.747   7.020
  332   HD11  LEU  51          HD11      LEU  51  -3.868   1.210   4.911
  333   HD12  LEU  51          HD12      LEU  51  -2.211   0.605   4.915
  334   HD13  LEU  51          HD13      LEU  51  -2.518   2.336   4.776
  335   HD21  LEU  51          HD21      LEU  51  -3.291   3.628   6.742
  336   HD22  LEU  51          HD22      LEU  51  -3.609   2.808   8.271
  337   HD23  LEU  51          HD23      LEU  51  -4.685   2.563   6.897
  338    H    ARG  52           HN       ARG  52  -6.041   0.402   5.126
  339    HA   ARG  52           HA       ARG  52  -5.325  -2.113   3.763
  340    HB2  ARG  52           HB2      ARG  52  -7.903  -0.540   3.598
  341    HB3  ARG  52           HB1      ARG  52  -7.517  -1.938   2.606
  342    HG2  ARG  52           HG2      ARG  52  -7.483  -3.366   4.543
  343    HG3  ARG  52           HG1      ARG  52  -7.719  -1.979   5.608
  344    HD2  ARG  52           HD2      ARG  52  -9.657  -2.927   3.500
  345    HD3  ARG  52           HD1      ARG  52  -9.805  -3.215   5.232
  346    HE   ARG  52           HE       ARG  52  -9.597  -0.501   4.997
  347   HH11  ARG  52          HH11      ARG  52 -11.728  -2.934   3.669
  348   HH12  ARG  52          HH12      ARG  52 -13.097  -1.873   3.586
  349   HH21  ARG  52          HH21      ARG  52 -11.395   0.905   4.886
  350   HH22  ARG  52          HH22      ARG  52 -12.905   0.319   4.260
  351    H    CYS  53           HN       CYS  53  -4.597  -1.975   1.706
  352    HA   CYS  53           HA       CYS  53  -3.963   0.578   0.597
  353    HB2  CYS  53           HB2      CYS  53  -2.974  -0.614  -1.227
  354    HB3  CYS  53           HB1      CYS  53  -2.612  -1.531   0.234
  355    H    ARG  54           HN       ARG  54  -4.601   0.717  -1.962
  356    HA   ARG  54           HA       ARG  54  -7.268   1.594  -1.814
  357    HB2  ARG  54           HB2      ARG  54  -5.498   2.526  -3.313
  358    HB3  ARG  54           HB1      ARG  54  -5.662   1.097  -4.321
  359    HG2  ARG  54           HG2      ARG  54  -6.896   2.881  -5.309
  360    HG3  ARG  54           HG1      ARG  54  -8.037   1.687  -4.687
  361    HD2  ARG  54           HD2      ARG  54  -8.349   3.072  -2.672
  362    HD3  ARG  54           HD1      ARG  54  -7.256   4.277  -3.348
  363    HE   ARG  54           HE       ARG  54  -9.356   3.734  -5.160
  364   HH11  ARG  54          HH11      ARG  54  -8.709   5.387  -2.145
  365   HH12  ARG  54          HH12      ARG  54 -10.000   6.527  -2.346
  366   HH21  ARG  54          HH21      ARG  54 -11.067   5.223  -5.419
  367   HH22  ARG  54          HH22      ARG  54 -11.340   6.432  -4.200
  368    H    SER  55           HN       SER  55  -5.815  -1.274  -3.287
  369    HA   SER  55           HA       SER  55  -8.143  -2.232  -4.550
  370    HB2  SER  55           HB2      SER  55  -5.795  -3.843  -3.532
  371    HB3  SER  55           HB1      SER  55  -6.932  -4.323  -4.792
  372    HG   SER  55           HG       SER  55  -6.168  -2.284  -5.863
  373    H    CYS  56           HN       CYS  56  -6.734  -2.991  -1.364
  374    HA   CYS  56           HA       CYS  56  -8.778  -4.856  -0.679
  375    HB2  CYS  56           HB2      CYS  56  -6.798  -3.393   1.073
  376    HB3  CYS  56           HB1      CYS  56  -7.859  -4.685   1.629
  377    H    SER  57           HN       SER  57  -8.617  -1.451  -0.687
  378    HA   SER  57           HA       SER  57 -10.735  -1.122   1.276
  379    HB2  SER  57           HB2      SER  57  -8.890   0.522   1.144
  380    HB3  SER  57           HB1      SER  57  -9.372   0.919  -0.502
  381    HG   SER  57           HG       SER  57 -11.457   1.093   1.249
  382    H    GLY  58           HN       GLY  58 -10.572  -2.027  -1.897
  383    HA2  GLY  58           HA2      GLY  58 -13.014  -0.607  -2.695
  384    HA3  GLY  58           HA1      GLY  58 -11.929  -1.474  -3.771
  385    H    ASP  59           HN       ASP  59 -14.923  -1.564  -2.759
  386    HA   ASP  59           HA       ASP  59 -15.056  -4.443  -2.230
  387    HB2  ASP  59           HB2      ASP  59 -16.310  -3.050  -0.671
  388    HB3  ASP  59           HB1      ASP  59 -17.172  -2.290  -2.002
  389    H    VAL  60           HN       VAL  60 -14.933  -5.490  -4.120
  390    HA   VAL  60           HA       VAL  60 -16.679  -4.621  -6.319
  391    HB   VAL  60           HB       VAL  60 -14.389  -6.601  -6.381
  392   HG11  VAL  60          HG11      VAL  60 -16.045  -5.438  -8.617
  393   HG12  VAL  60          HG12      VAL  60 -16.071  -7.110  -8.058
  394   HG13  VAL  60          HG13      VAL  60 -14.622  -6.458  -8.821
  395   HG21  VAL  60          HG21      VAL  60 -13.194  -4.865  -7.640
  396   HG22  VAL  60          HG22      VAL  60 -13.593  -4.337  -6.005
  397   HG23  VAL  60          HG23      VAL  60 -14.540  -3.758  -7.374
  398    H    THR  61           HN       THR  61 -18.422  -5.795  -6.838
  399    HA   THR  61           HA       THR  61 -18.975  -8.202  -5.299
  400    HB   THR  61           HB       THR  61 -20.835  -6.962  -7.312
  401    HG1  THR  61           HG1      THR  61 -20.104  -6.016  -4.757
  402   HG21  THR  61          HG21      THR  61 -21.283  -8.453  -4.724
  403   HG22  THR  61          HG22      THR  61 -21.478  -9.112  -6.349
  404   HG23  THR  61          HG23      THR  61 -22.550  -7.831  -5.783
  405    HA   PRO  62           HA       PRO  62 -17.588 -10.562  -8.904
  406    HB2  PRO  62           HB2      PRO  62 -18.004 -13.010  -7.757
  407    HB3  PRO  62           HB1      PRO  62 -16.544 -12.049  -7.514
  408    HG2  PRO  62           HG2      PRO  62 -18.923 -12.360  -5.741
  409    HG3  PRO  62           HG1      PRO  62 -17.207 -12.264  -5.309
  410    HD2  PRO  62           HD2      PRO  62 -18.907 -10.169  -5.052
  411    HD3  PRO  62           HD1      PRO  62 -17.182  -9.964  -5.418
  412    H    ALA  63           HN       ALA  63 -18.777 -11.221 -10.584
  413    HA   ALA  63           HA       ALA  63 -21.625 -11.221 -10.385
  414    HB1  ALA  63           HB1      ALA  63 -20.442 -10.351 -12.357
  415    HB2  ALA  63           HB2      ALA  63 -21.603 -11.608 -12.779
  416    HB3  ALA  63           HB3      ALA  63 -19.881 -11.982 -12.723
  417    HA   PRO  64           HA       PRO  64 -22.037 -15.532  -9.194
  418    HB2  PRO  64           HB2      PRO  64 -24.798 -14.962 -10.152
  419    HB3  PRO  64           HB1      PRO  64 -24.262 -15.681  -8.629
  420    HG2  PRO  64           HG2      PRO  64 -25.140 -13.173  -8.702
  421    HG3  PRO  64           HG1      PRO  64 -23.756 -13.619  -7.685
  422    HD2  PRO  64           HD2      PRO  64 -23.800 -12.202 -10.316
  423    HD3  PRO  64           HD1      PRO  64 -22.761 -11.928  -8.903
  424    H    VAL  65           HN       VAL  65 -21.536 -17.208 -10.446
  425    HA   VAL  65           HA       VAL  65 -21.941 -16.986 -13.313
  426    HB   VAL  65           HB       VAL  65 -19.718 -17.626 -12.428
  427   HG11  VAL  65          HG11      VAL  65 -20.414 -18.913 -10.495
  428   HG12  VAL  65          HG12      VAL  65 -19.362 -19.877 -11.532
  429   HG13  VAL  65          HG13      VAL  65 -21.105 -20.151 -11.544
  430   HG21  VAL  65          HG21      VAL  65 -20.277 -18.247 -14.691
  431   HG22  VAL  65          HG22      VAL  65 -21.073 -19.715 -14.125
  432   HG23  VAL  65          HG23      VAL  65 -19.329 -19.532 -13.945
  433    H    GLU  66           HN       GLU  66 -23.264 -18.572 -10.615
  434    HA   GLU  66           HA       GLU  66 -25.161 -19.951 -12.339
  435    HB2  GLU  66           HB2      GLU  66 -23.255 -21.533 -11.717
  436    HB3  GLU  66           HB1      GLU  66 -23.837 -21.423 -10.061
  437    HG2  GLU  66           HG2      GLU  66 -24.711 -23.410 -11.067
  438    HG3  GLU  66           HG1      GLU  66 -26.032 -22.268 -10.815
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   4.738 -11.271 -21.565
    2    H2   GLY   1           HT2      GLY   1   3.235 -10.826 -20.936
    3    H3   GLY   1           HT3      GLY   1   3.330 -12.015 -22.133
    4    HA2  GLY   1           HA1      GLY   1   2.949 -13.050 -20.014
    5    HA3  GLY   1           HA2      GLY   1   4.541 -13.469 -20.628
    6    H    ALA   2           HN       ALA   2   2.776 -12.093 -18.081
    7    HA   ALA   2           HA       ALA   2   5.290 -11.515 -16.671
    8    HB1  ALA   2           HB1      ALA   2   4.248  -9.610 -15.560
    9    HB2  ALA   2           HB2      ALA   2   2.769  -9.864 -16.488
   10    HB3  ALA   2           HB3      ALA   2   4.255  -9.387 -17.309
   11    H    MET   3           HN       MET   3   3.924 -13.933 -16.638
   12    HA   MET   3           HA       MET   3   2.000 -14.108 -14.564
   13    HB2  MET   3           HB2      MET   3   2.233 -16.519 -14.774
   14    HB3  MET   3           HB1      MET   3   2.149 -15.776 -16.363
   15    HG2  MET   3           HG2      MET   3   4.610 -15.940 -16.521
   16    HG3  MET   3           HG1      MET   3   4.621 -16.792 -14.979
   17    HE1  MET   3           HE1      MET   3   2.637 -20.064 -15.864
   18    HE2  MET   3           HE2      MET   3   1.925 -18.564 -15.270
   19    HE3  MET   3           HE3      MET   3   3.446 -19.147 -14.594
   20    H    GLU   4           HN       GLU   4   5.438 -13.999 -14.564
   21    HA   GLU   4           HA       GLU   4   5.794 -15.221 -11.993
   22    HB2  GLU   4           HB2      GLU   4   7.591 -13.509 -13.705
   23    HB3  GLU   4           HB1      GLU   4   8.087 -14.176 -12.157
   24    HG2  GLU   4           HG2      GLU   4   7.872 -16.408 -12.970
   25    HG3  GLU   4           HG1      GLU   4   7.131 -15.842 -14.465
   26    H    GLY   5           HN       GLY   5   4.728 -12.177 -13.061
   27    HA2  GLY   5           HA2      GLY   5   5.365 -10.966 -10.444
   28    HA3  GLY   5           HA1      GLY   5   5.129 -10.050 -11.926
   29    H    GLN   6           HN       GLN   6   3.100 -12.743 -11.070
   30    HA   GLN   6           HA       GLN   6   0.779 -10.996 -11.052
   31    HB2  GLN   6           HB2      GLN   6   0.821 -13.196 -12.255
   32    HB3  GLN   6           HB1      GLN   6   0.927 -13.996 -10.694
   33    HG2  GLN   6           HG2      GLN   6  -1.241 -13.001 -10.072
   34    HG3  GLN   6           HG1      GLN   6  -1.352 -12.300 -11.686
   35   HE21  GLN   6          HE21      GLN   6  -3.189 -13.431 -12.228
   36   HE22  GLN   6          HE22      GLN   6  -3.189 -15.136 -12.522
   37    H    GLN   7           HN       GLN   7   2.542 -13.127  -8.909
   38    HA   GLN   7           HA       GLN   7   1.555 -11.678  -6.596
   39    HB2  GLN   7           HB2      GLN   7   0.002 -13.619  -6.906
   40    HB3  GLN   7           HB1      GLN   7   1.381 -14.698  -6.756
   41    HG2  GLN   7           HG2      GLN   7   1.786 -13.774  -4.491
   42    HG3  GLN   7           HG1      GLN   7   0.300 -12.840  -4.655
   43   HE21  GLN   7          HE21      GLN   7  -0.997 -15.030  -6.161
   44   HE22  GLN   7          HE22      GLN   7  -1.418 -16.212  -4.972
   45    H    ASN   8           HN       ASN   8   3.742 -10.930  -6.721
   46    HA   ASN   8           HA       ASN   8   5.682 -12.797  -5.583
   47    HB2  ASN   8           HB2      ASN   8   6.021 -12.871  -8.029
   48    HB3  ASN   8           HB1      ASN   8   6.224 -11.124  -8.044
   49   HD21  ASN   8          HD21      ASN   8   8.284 -11.128  -8.812
   50   HD22  ASN   8          HD22      ASN   8   9.638 -11.714  -7.907
   51    H    LEU   9           HN       LEU   9   7.100 -11.847  -4.194
   52    HA   LEU   9           HA       LEU   9   6.613  -9.161  -3.348
   53    HB2  LEU   9           HB2      LEU   9   8.837 -11.069  -2.608
   54    HB3  LEU   9           HB1      LEU   9   8.495  -9.553  -1.796
   55    HG   LEU   9           HG       LEU   9   6.635 -11.929  -1.892
   56   HD11  LEU   9          HD11      LEU   9   8.334 -10.856   0.356
   57   HD12  LEU   9          HD12      LEU   9   8.632 -12.343  -0.541
   58   HD13  LEU   9          HD13      LEU   9   7.193 -12.194   0.464
   59   HD21  LEU   9          HD21      LEU   9   6.444  -9.317  -0.394
   60   HD22  LEU   9          HD22      LEU   9   5.349 -10.687  -0.214
   61   HD23  LEU   9          HD23      LEU   9   5.430  -9.820  -1.746
   62    H    ALA  10           HN       ALA  10   7.020  -7.972  -5.247
   63    HA   ALA  10           HA       ALA  10   9.392  -8.039  -6.733
   64    HB1  ALA  10           HB1      ALA  10   7.473  -5.745  -6.336
   65    HB2  ALA  10           HB2      ALA  10   7.330  -7.016  -7.550
   66    HB3  ALA  10           HB3      ALA  10   8.673  -5.875  -7.622
   67    HA   PRO  11           HA       PRO  11  12.270  -5.884  -4.095
   68    HB2  PRO  11           HB2      PRO  11  13.662  -4.969  -6.499
   69    HB3  PRO  11           HB1      PRO  11  14.200  -6.107  -5.263
   70    HG2  PRO  11           HG2      PRO  11  13.577  -6.889  -7.767
   71    HG3  PRO  11           HG1      PRO  11  13.304  -7.922  -6.353
   72    HD2  PRO  11           HD2      PRO  11  11.346  -6.238  -7.876
   73    HD3  PRO  11           HD1      PRO  11  11.161  -7.886  -7.239
   74    H    GLY  12           HN       GLY  12   9.934  -4.437  -4.585
   75    HA2  GLY  12           HA2      GLY  12  11.018  -1.719  -4.652
   76    HA3  GLY  12           HA1      GLY  12   9.699  -2.110  -5.749
   77    H    ALA  13           HN       ALA  13  10.262  -3.156  -2.418
   78    HA   ALA  13           HA       ALA  13   7.567  -2.530  -1.675
   79    HB1  ALA  13           HB1      ALA  13   8.176  -3.341   0.526
   80    HB2  ALA  13           HB2      ALA  13   9.883  -3.324   0.086
   81    HB3  ALA  13           HB3      ALA  13   8.780  -4.444  -0.711
   82    H    ARG  14           HN       ARG  14   7.705  -0.296  -2.320
   83    HA   ARG  14           HA       ARG  14   8.150   1.446  -0.088
   84    HB2  ARG  14           HB2      ARG  14   9.723   2.953  -1.251
   85    HB3  ARG  14           HB1      ARG  14  10.435   1.369  -0.977
   86    HG2  ARG  14           HG2      ARG  14   9.889   0.772  -3.318
   87    HG3  ARG  14           HG1      ARG  14   9.315   2.423  -3.560
   88    HD2  ARG  14           HD2      ARG  14  11.510   3.305  -3.088
   89    HD3  ARG  14           HD1      ARG  14  12.108   1.695  -2.691
   90    HE   ARG  14           HE       ARG  14  11.175   1.440  -5.228
   91   HH11  ARG  14          HH11      ARG  14  13.463   3.602  -3.706
   92   HH12  ARG  14          HH12      ARG  14  14.426   3.796  -5.136
   93   HH21  ARG  14          HH21      ARG  14  12.429   1.682  -7.105
   94   HH22  ARG  14          HH22      ARG  14  13.832   2.700  -7.078
   95    H    CYS  15           HN       CYS  15   7.289   3.618  -0.577
   96    HA   CYS  15           HA       CYS  15   4.848   3.477  -1.914
   97    HB2  CYS  15           HB2      CYS  15   5.246   5.125  -0.179
   98    HB3  CYS  15           HB1      CYS  15   6.491   5.899  -1.152
   99    H    GLY  16           HN       GLY  16   4.635   3.092  -4.019
  100    HA2  GLY  16           HA2      GLY  16   6.600   3.668  -5.961
  101    HA3  GLY  16           HA1      GLY  16   4.945   3.181  -6.290
  102    H    VAL  17           HN       VAL  17   4.180   5.635  -4.581
  103    HA   VAL  17           HA       VAL  17   3.909   7.451  -6.790
  104    HB   VAL  17           HB       VAL  17   3.205   7.876  -3.880
  105   HG11  VAL  17          HG11      VAL  17   3.317   9.964  -5.099
  106   HG12  VAL  17          HG12      VAL  17   1.636   9.563  -4.752
  107   HG13  VAL  17          HG13      VAL  17   2.287   9.309  -6.370
  108   HG21  VAL  17          HG21      VAL  17   0.924   7.237  -4.528
  109   HG22  VAL  17          HG22      VAL  17   2.070   5.916  -4.761
  110   HG23  VAL  17          HG23      VAL  17   1.502   6.846  -6.147
  111    H    CYS  18           HN       CYS  18   6.004   7.131  -4.022
  112    HA   CYS  18           HA       CYS  18   7.142   9.788  -4.566
  113    HB2  CYS  18           HB2      CYS  18   7.270   8.095  -2.067
  114    HB3  CYS  18           HB1      CYS  18   8.110   9.626  -2.278
  115    H    GLY  19           HN       GLY  19   7.841   6.404  -4.578
  116    HA2  GLY  19           HA2      GLY  19   9.709   5.303  -5.401
  117    HA3  GLY  19           HA1      GLY  19  10.467   6.866  -5.680
  118    H    ASP  20           HN       ASP  20   9.164   6.416  -2.583
  119    HA   ASP  20           HA       ASP  20  11.782   5.725  -1.455
  120    HB2  ASP  20           HB2      ASP  20  11.714   8.122  -1.336
  121    HB3  ASP  20           HB1      ASP  20  10.062   8.103  -0.731
  122    H    GLY  21           HN       GLY  21  11.703   4.395   0.276
  123    HA2  GLY  21           HA2      GLY  21   9.019   3.592   1.179
  124    HA3  GLY  21           HA1      GLY  21  10.446   2.567   1.210
  125    H    THR  22           HN       THR  22  10.981   5.777   2.210
  126    HA   THR  22           HA       THR  22  11.497   4.948   4.908
  127    HB   THR  22           HB       THR  22  11.480   7.756   3.789
  128    HG1  THR  22           HG1      THR  22  13.017   6.847   2.582
  129   HG21  THR  22          HG21      THR  22  12.902   6.552   6.167
  130   HG22  THR  22          HG22      THR  22  11.514   7.638   6.233
  131   HG23  THR  22          HG23      THR  22  13.059   8.217   5.607
  132    H    ASP  23           HN       ASP  23  10.218   5.184   6.647
  133    HA   ASP  23           HA       ASP  23   8.306   5.408   7.849
  134    HB2  ASP  23           HB2      ASP  23   8.998   7.804   7.708
  135    HB3  ASP  23           HB1      ASP  23   7.968   7.974   6.296
  136    H    VAL  24           HN       VAL  24   8.050   3.703   5.827
  137    HA   VAL  24           HA       VAL  24   5.714   4.419   4.250
  138    HB   VAL  24           HB       VAL  24   7.869   3.164   3.433
  139   HG11  VAL  24          HG11      VAL  24   7.777   1.346   5.034
  140   HG12  VAL  24          HG12      VAL  24   7.648   0.747   3.383
  141   HG13  VAL  24          HG13      VAL  24   6.210   0.850   4.397
  142   HG21  VAL  24          HG21      VAL  24   6.589   2.147   1.638
  143   HG22  VAL  24          HG22      VAL  24   5.993   3.759   2.033
  144   HG23  VAL  24          HG23      VAL  24   5.113   2.333   2.586
  145    H    LEU  25           HN       LEU  25   3.792   3.206   4.263
  146    HA   LEU  25           HA       LEU  25   3.311   1.815   6.800
  147    HB2  LEU  25           HB2      LEU  25   1.368   3.020   4.826
  148    HB3  LEU  25           HB1      LEU  25   0.911   2.190   6.301
  149    HG   LEU  25           HG       LEU  25   2.464   4.772   6.126
  150   HD11  LEU  25          HD11      LEU  25  -0.341   4.190   7.059
  151   HD12  LEU  25          HD12      LEU  25   0.110   5.026   5.573
  152   HD13  LEU  25          HD13      LEU  25   0.470   5.753   7.138
  153   HD21  LEU  25          HD21      LEU  25   3.198   3.470   8.033
  154   HD22  LEU  25          HD22      LEU  25   1.525   3.209   8.527
  155   HD23  LEU  25          HD23      LEU  25   2.214   4.832   8.569
  156    H    ARG  26           HN       ARG  26   1.940  -0.068   6.772
  157    HA   ARG  26           HA       ARG  26   2.340  -1.682   4.341
  158    HB2  ARG  26           HB2      ARG  26   2.265  -2.625   7.216
  159    HB3  ARG  26           HB1      ARG  26   2.572  -3.622   5.804
  160    HG2  ARG  26           HG2      ARG  26   4.338  -1.374   6.745
  161    HG3  ARG  26           HG1      ARG  26   4.614  -3.088   7.059
  162    HD2  ARG  26           HD2      ARG  26   4.774  -3.501   4.661
  163    HD3  ARG  26           HD1      ARG  26   4.484  -1.794   4.337
  164    HE   ARG  26           HE       ARG  26   6.637  -1.666   5.909
  165   HH11  ARG  26          HH11      ARG  26   5.944  -3.722   3.165
  166   HH12  ARG  26          HH12      ARG  26   7.608  -3.857   2.687
  167   HH21  ARG  26          HH21      ARG  26   8.819  -1.820   5.276
  168   HH22  ARG  26          HH22      ARG  26   9.245  -2.762   3.880
  169    H    CYS  27           HN       CYS  27   0.646  -2.969   3.654
  170    HA   CYS  27           HA       CYS  27  -1.973  -2.223   4.612
  171    HB2  CYS  27           HB2      CYS  27  -1.319  -2.654   2.158
  172    HB3  CYS  27           HB1      CYS  27  -1.401  -4.376   2.551
  173    H    THR  28           HN       THR  28  -3.410  -3.508   5.708
  174    HA   THR  28           HA       THR  28  -2.237  -5.619   7.279
  175    HB   THR  28           HB       THR  28  -4.522  -5.683   8.340
  176    HG1  THR  28           HG1      THR  28  -6.034  -4.228   7.670
  177   HG21  THR  28          HG21      THR  28  -3.138  -3.003   8.195
  178   HG22  THR  28          HG22      THR  28  -2.719  -4.329   9.278
  179   HG23  THR  28          HG23      THR  28  -4.269  -3.505   9.451
  180    H    HIS  29           HN       HIS  29  -4.374  -5.384   4.545
  181    HA   HIS  29           HA       HIS  29  -5.179  -8.174   4.845
  182    HB2  HIS  29           HB2      HIS  29  -6.214  -5.881   3.244
  183    HB3  HIS  29           HB1      HIS  29  -6.531  -7.517   2.680
  184    HD1  HIS  29           HD1      HIS  29  -8.218  -8.916   3.988
  185    HD2  HIS  29           HD2      HIS  29  -7.510  -5.179   5.662
  186    HE1  HIS  29           HE1      HIS  29 -10.018  -8.594   5.712
  187    HE2  HIS  29           HE2      HIS  29  -9.676  -6.256   6.575
  188    H    CYS  30           HN       CYS  30  -2.884  -6.327   3.135
  189    HA   CYS  30           HA       CYS  30  -2.075  -8.704   1.695
  190    HB2  CYS  30           HB2      CYS  30  -2.189  -7.853  -0.483
  191    HB3  CYS  30           HB1      CYS  30  -3.711  -7.330   0.229
  192    H    ALA  31           HN       ALA  31  -0.138  -7.708   0.127
  193    HA   ALA  31           HA       ALA  31   1.683  -6.473   2.052
  194    HB1  ALA  31           HB1      ALA  31   3.494  -7.456   0.717
  195    HB2  ALA  31           HB2      ALA  31   2.301  -8.158  -0.372
  196    HB3  ALA  31           HB3      ALA  31   2.377  -8.686   1.309
  197    H    ALA  32           HN       ALA  32   1.987  -4.380   1.725
  198    HA   ALA  32           HA       ALA  32   2.661  -3.326  -0.842
  199    HB1  ALA  32           HB1      ALA  32   0.209  -3.436  -1.081
  200    HB2  ALA  32           HB2      ALA  32   0.801  -1.774  -1.088
  201    HB3  ALA  32           HB3      ALA  32   0.037  -2.434   0.359
  202    H    ALA  33           HN       ALA  33   4.209  -1.950  -0.367
  203    HA   ALA  33           HA       ALA  33   4.129  -0.462   2.161
  204    HB1  ALA  33           HB1      ALA  33   6.363  -0.770   0.156
  205    HB2  ALA  33           HB2      ALA  33   6.186  -1.692   1.650
  206    HB3  ALA  33           HB3      ALA  33   6.470   0.047   1.715
  207    H    PHE  34           HN       PHE  34   3.154   1.440   2.059
  208    HA   PHE  34           HA       PHE  34   3.804   3.309  -0.054
  209    HB2  PHE  34           HB2      PHE  34   1.462   3.701  -0.696
  210    HB3  PHE  34           HB1      PHE  34   1.950   2.051  -1.057
  211    HD1  PHE  34           HD2      PHE  34   1.123   0.185   0.326
  212    HD2  PHE  34           HD1      PHE  34  -0.258   4.170   0.886
  213    HE1  PHE  34           HE2      PHE  34  -0.798  -0.663   1.602
  214    HE2  PHE  34           HE1      PHE  34  -2.183   3.328   2.162
  215    HZ   PHE  34           HZ       PHE  34  -2.455   0.907   2.520
  216    H    HIS  35           HN       HIS  35   2.746   5.449   0.371
  217    HA   HIS  35           HA       HIS  35   2.388   5.885   3.244
  218    HB2  HIS  35           HB2      HIS  35   2.563   7.961   1.042
  219    HB3  HIS  35           HB1      HIS  35   2.614   8.261   2.772
  220    HD2  HIS  35           HD2      HIS  35   4.970   6.110   3.554
  221    HE1  HIS  35           HE1      HIS  35   7.216   8.304   0.707
  222    HE2  HIS  35           HE2      HIS  35   7.341   6.842   2.786
  223    H    TRP  36           HN       TRP  36   0.483   6.515   4.084
  224    HA   TRP  36           HA       TRP  36  -1.891   5.767   2.844
  225    HB2  TRP  36           HB2      TRP  36  -1.792   5.806   5.217
  226    HB3  TRP  36           HB1      TRP  36  -1.307   7.495   5.243
  227    HD1  TRP  36           HD1      TRP  36  -3.165   9.129   5.813
  228    HE1  TRP  36           HE1      TRP  36  -5.737   9.100   5.767
  229    HE3  TRP  36           HE3      TRP  36  -3.888   4.527   3.701
  230    HZ2  TRP  36           HZ2      TRP  36  -7.785   7.381   4.932
  231    HZ3  TRP  36           HZ3      TRP  36  -6.195   3.764   3.316
  232    HH2  TRP  36           HH2      TRP  36  -8.105   5.160   3.921
  233    H    ARG  37           HN       ARG  37  -0.368   8.919   3.092
  234    HA   ARG  37           HA       ARG  37  -2.530  10.468   2.129
  235    HB2  ARG  37           HB2      ARG  37   0.440  11.024   1.987
  236    HB3  ARG  37           HB1      ARG  37  -0.835  12.214   1.780
  237    HG2  ARG  37           HG2      ARG  37  -1.431  12.136   4.044
  238    HG3  ARG  37           HG1      ARG  37  -0.542  10.634   4.313
  239    HD2  ARG  37           HD2      ARG  37   0.603  12.648   5.220
  240    HD3  ARG  37           HD1      ARG  37   1.560  11.758   4.038
  241    HE   ARG  37           HE       ARG  37   0.025  14.144   3.248
  242   HH11  ARG  37          HH11      ARG  37   3.078  12.439   3.534
  243   HH12  ARG  37          HH12      ARG  37   3.955  13.593   2.582
  244   HH21  ARG  37          HH21      ARG  37   1.188  15.661   1.992
  245   HH22  ARG  37          HH22      ARG  37   2.878  15.417   1.692
  246    H    CYS  38           HN       CYS  38  -0.165   8.513   0.553
  247    HA   CYS  38           HA       CYS  38  -0.360   9.919  -1.967
  248    HB2  CYS  38           HB2      CYS  38   1.176   7.403  -1.300
  249    HB3  CYS  38           HB1      CYS  38   1.425   8.466  -2.688
  250    H    HIS  39           HN       HIS  39  -1.758   7.147  -0.450
  251    HA   HIS  39           HA       HIS  39  -2.790   6.187  -3.012
  252    HB2  HIS  39           HB2      HIS  39  -2.406   4.986  -0.364
  253    HB3  HIS  39           HB1      HIS  39  -3.933   4.563  -1.131
  254    HD1  HIS  39           HD1      HIS  39  -3.857   2.795  -2.898
  255    HD2  HIS  39           HD2      HIS  39  -0.087   4.280  -2.001
  256    HE1  HIS  39           HE1      HIS  39  -2.241   1.242  -4.029
  257    HE2  HIS  39           HE2      HIS  39   0.039   2.083  -3.364
  258    H    PHE  40           HN       PHE  40  -3.817   7.818  -0.090
  259    HA   PHE  40           HA       PHE  40  -6.465   8.154  -1.335
  260    HB2  PHE  40           HB2      PHE  40  -5.846   7.585   1.567
  261    HB3  PHE  40           HB1      PHE  40  -7.389   8.235   1.030
  262    HD1  PHE  40           HD1      PHE  40  -5.111   5.332   0.696
  263    HD2  PHE  40           HD2      PHE  40  -9.061   6.830   0.192
  264    HE1  PHE  40           HE1      PHE  40  -5.916   3.050   0.261
  265    HE2  PHE  40           HE2      PHE  40  -9.873   4.548  -0.245
  266    HZ   PHE  40           HZ       PHE  40  -8.301   2.656  -0.208
  267    HA   PRO  41           HA       PRO  41  -4.576  12.256  -0.410
  268    HB2  PRO  41           HB2      PRO  41  -5.374  13.042  -3.075
  269    HB3  PRO  41           HB1      PRO  41  -3.748  12.893  -2.411
  270    HG2  PRO  41           HG2      PRO  41  -4.743  11.238  -4.341
  271    HG3  PRO  41           HG1      PRO  41  -3.488  10.754  -3.185
  272    HD2  PRO  41           HD2      PRO  41  -6.433  10.188  -3.136
  273    HD3  PRO  41           HD1      PRO  41  -5.070   9.113  -2.749
  274    H    ALA  42           HN       ALA  42  -7.562  11.618  -2.240
  275    HA   ALA  42           HA       ALA  42  -8.716  14.124  -1.358
  276    HB1  ALA  42           HB1      ALA  42  -9.105  13.363  -3.639
  277    HB2  ALA  42           HB2      ALA  42 -10.620  13.508  -2.749
  278    HB3  ALA  42           HB3      ALA  42  -9.908  11.919  -3.027
  279    H    GLY  43           HN       GLY  43  -9.597  10.675  -1.073
  280    HA2  GLY  43           HA2      GLY  43 -11.446  11.344   1.084
  281    HA3  GLY  43           HA1      GLY  43 -11.269   9.774   0.312
  282    H    THR  44           HN       THR  44  -9.222  12.028   2.167
  283    HA   THR  44           HA       THR  44  -7.730   9.812   3.238
  284    HB   THR  44           HB       THR  44  -7.495  12.673   4.149
  285    HG1  THR  44           HG1      THR  44  -6.348  11.405   1.855
  286   HG21  THR  44          HG21      THR  44  -5.463  10.454   3.915
  287   HG22  THR  44          HG22      THR  44  -6.339  10.845   5.391
  288   HG23  THR  44          HG23      THR  44  -5.234  12.029   4.683
  289    H    SER  45           HN       SER  45  -9.086   8.640   4.535
  290    HA   SER  45           HA       SER  45  -9.454   9.840   7.170
  291    HB2  SER  45           HB2      SER  45 -11.666   9.869   5.984
  292    HB3  SER  45           HB1      SER  45 -11.566   8.114   5.845
  293    HG   SER  45           HG       SER  45 -12.796   8.760   7.656
  294    H    ARG  46           HN       ARG  46  -7.743   8.733   7.987
  295    HA   ARG  46           HA       ARG  46  -6.936   6.181   7.244
  296    HB2  ARG  46           HB2      ARG  46  -5.513   7.837   8.410
  297    HB3  ARG  46           HB1      ARG  46  -6.428   7.560   9.884
  298    HG2  ARG  46           HG2      ARG  46  -5.668   5.277   9.979
  299    HG3  ARG  46           HG1      ARG  46  -4.851   5.453   8.425
  300    HD2  ARG  46           HD2      ARG  46  -4.196   6.950  10.961
  301    HD3  ARG  46           HD1      ARG  46  -3.273   5.613  10.278
  302    HE   ARG  46           HE       ARG  46  -3.645   8.084   8.732
  303   HH11  ARG  46          HH11      ARG  46  -1.520   5.848  10.394
  304   HH12  ARG  46          HH12      ARG  46  -0.075   6.529   9.717
  305   HH21  ARG  46          HH21      ARG  46  -1.750   8.971   7.843
  306   HH22  ARG  46          HH22      ARG  46  -0.204   8.299   8.257
  307    HA   PRO  47           HA       PRO  47 -10.150   3.850   9.290
  308    HB2  PRO  47           HB2      PRO  47  -9.299   1.392   8.519
  309    HB3  PRO  47           HB1      PRO  47 -10.160   2.493   7.438
  310    HG2  PRO  47           HG2      PRO  47  -7.231   1.928   7.631
  311    HG3  PRO  47           HG1      PRO  47  -8.237   2.162   6.189
  312    HD2  PRO  47           HD2      PRO  47  -6.630   4.103   7.222
  313    HD3  PRO  47           HD1      PRO  47  -8.124   4.449   6.330
  314    H    GLY  48           HN       GLY  48 -10.288   3.165  11.324
  315    HA2  GLY  48           HA2      GLY  48  -7.872   2.611  12.831
  316    HA3  GLY  48           HA1      GLY  48  -9.504   2.727  13.474
  317    H    THR  49           HN       THR  49 -10.056   0.802  11.037
  318    HA   THR  49           HA       THR  49  -9.721  -1.622  12.625
  319    HB   THR  49           HB       THR  49 -11.174  -2.574  10.693
  320    HG1  THR  49           HG1      THR  49 -12.098  -1.132   9.372
  321   HG21  THR  49          HG21      THR  49 -12.284  -0.503  12.592
  322   HG22  THR  49          HG22      THR  49 -12.000  -2.203  12.962
  323   HG23  THR  49          HG23      THR  49 -13.221  -1.752  11.773
  324    H    GLY  50           HN       GLY  50  -7.398  -0.490  11.391
  325    HA2  GLY  50           HA2      GLY  50  -5.543  -1.760  10.591
  326    HA3  GLY  50           HA1      GLY  50  -6.663  -2.763   9.687
  327    H    LEU  51           HN       LEU  51  -4.229  -0.962   9.056
  328    HA   LEU  51           HA       LEU  51  -5.249   1.047   7.304
  329    HB2  LEU  51           HB2      LEU  51  -2.915   0.821   8.483
  330    HB3  LEU  51           HB1      LEU  51  -2.495  -0.119   7.067
  331    HG   LEU  51           HG       LEU  51  -1.760   2.239   6.935
  332   HD11  LEU  51          HD11      LEU  51  -2.595   2.699   4.687
  333   HD12  LEU  51          HD12      LEU  51  -3.842   1.471   4.900
  334   HD13  LEU  51          HD13      LEU  51  -2.141   1.006   4.883
  335   HD21  LEU  51          HD21      LEU  51  -3.374   4.018   6.619
  336   HD22  LEU  51          HD22      LEU  51  -3.619   3.241   8.183
  337   HD23  LEU  51          HD23      LEU  51  -4.704   2.882   6.840
  338    H    ARG  52           HN       ARG  52  -5.992   0.799   5.312
  339    HA   ARG  52           HA       ARG  52  -5.492  -1.759   3.941
  340    HB2  ARG  52           HB2      ARG  52  -8.053  -0.150   4.055
  341    HB3  ARG  52           HB1      ARG  52  -7.811  -1.583   3.064
  342    HG2  ARG  52           HG2      ARG  52  -7.629  -2.980   4.958
  343    HG3  ARG  52           HG1      ARG  52  -7.497  -1.602   6.052
  344    HD2  ARG  52           HD2      ARG  52  -9.815  -0.956   5.418
  345    HD3  ARG  52           HD1      ARG  52  -9.924  -2.439   4.469
  346    HE   ARG  52           HE       ARG  52  -9.144  -3.141   7.050
  347   HH11  ARG  52          HH11      ARG  52 -11.930  -1.747   5.464
  348   HH12  ARG  52          HH12      ARG  52 -13.064  -2.377   6.612
  349   HH21  ARG  52          HH21      ARG  52 -10.630  -3.969   8.575
  350   HH22  ARG  52          HH22      ARG  52 -12.322  -3.641   8.383
  351    H    CYS  53           HN       CYS  53  -4.755  -1.613   1.923
  352    HA   CYS  53           HA       CYS  53  -4.279   0.939   0.729
  353    HB2  CYS  53           HB2      CYS  53  -3.161  -0.231  -1.012
  354    HB3  CYS  53           HB1      CYS  53  -2.815  -1.128   0.463
  355    H    ARG  54           HN       ARG  54  -4.836   0.868  -1.861
  356    HA   ARG  54           HA       ARG  54  -7.530   1.629  -1.904
  357    HB2  ARG  54           HB2      ARG  54  -5.899   2.593  -3.407
  358    HB3  ARG  54           HB1      ARG  54  -5.629   1.039  -4.172
  359    HG2  ARG  54           HG2      ARG  54  -6.981   2.390  -5.598
  360    HG3  ARG  54           HG1      ARG  54  -7.963   1.067  -4.971
  361    HD2  ARG  54           HD2      ARG  54  -9.226   3.131  -4.931
  362    HD3  ARG  54           HD1      ARG  54  -8.902   2.592  -3.284
  363    HE   ARG  54           HE       ARG  54  -6.860   4.323  -3.864
  364   HH11  ARG  54          HH11      ARG  54 -10.355   4.526  -3.900
  365   HH12  ARG  54          HH12      ARG  54 -10.389   6.210  -3.482
  366   HH21  ARG  54          HH21      ARG  54  -6.896   6.547  -3.313
  367   HH22  ARG  54          HH22      ARG  54  -8.425   7.364  -3.163
  368    H    SER  55           HN       SER  55  -5.944  -1.260  -3.263
  369    HA   SER  55           HA       SER  55  -8.274  -2.306  -4.449
  370    HB2  SER  55           HB2      SER  55  -5.916  -2.957  -5.012
  371    HB3  SER  55           HB1      SER  55  -5.870  -3.878  -3.513
  372    HG   SER  55           HG       SER  55  -8.047  -4.398  -5.125
  373    H    CYS  56           HN       CYS  56  -6.802  -2.877  -1.266
  374    HA   CYS  56           HA       CYS  56  -8.717  -4.846  -0.499
  375    HB2  CYS  56           HB2      CYS  56  -6.847  -3.168   1.182
  376    HB3  CYS  56           HB1      CYS  56  -7.825  -4.493   1.805
  377    H    SER  57           HN       SER  57  -8.768  -1.424  -0.631
  378    HA   SER  57           HA       SER  57 -10.980  -1.202   1.237
  379    HB2  SER  57           HB2      SER  57  -9.656   0.891  -0.500
  380    HB3  SER  57           HB1      SER  57 -10.899   1.208   0.710
  381    HG   SER  57           HG       SER  57  -8.211   0.534   1.035
  382    H    GLY  58           HN       GLY  58 -10.702  -2.286  -1.825
  383    HA2  GLY  58           HA2      GLY  58 -12.869  -1.035  -3.157
  384    HA3  GLY  58           HA1      GLY  58 -12.210  -2.622  -3.528
  385    H    ASP  59           HN       ASP  59 -12.697  -3.380  -0.654
  386    HA   ASP  59           HA       ASP  59 -15.484  -4.177  -0.960
  387    HB2  ASP  59           HB2      ASP  59 -13.847  -5.909  -0.385
  388    HB3  ASP  59           HB1      ASP  59 -13.363  -5.002   1.042
  389    H    VAL  60           HN       VAL  60 -13.892  -1.625   0.229
  390    HA   VAL  60           HA       VAL  60 -15.594  -1.259   2.591
  391    HB   VAL  60           HB       VAL  60 -13.195   0.353   1.690
  392   HG11  VAL  60          HG11      VAL  60 -14.768   0.472   4.259
  393   HG12  VAL  60          HG12      VAL  60 -14.787   1.682   2.978
  394   HG13  VAL  60          HG13      VAL  60 -13.309   1.394   3.897
  395   HG21  VAL  60          HG21      VAL  60 -12.595  -1.915   2.400
  396   HG22  VAL  60          HG22      VAL  60 -13.436  -1.654   3.928
  397   HG23  VAL  60          HG23      VAL  60 -12.007  -0.700   3.533
  398    H    THR  61           HN       THR  61 -17.501  -0.445   1.968
  399    HA   THR  61           HA       THR  61 -17.624   1.582  -0.117
  400    HB   THR  61           HB       THR  61 -19.892   0.387   1.496
  401    HG1  THR  61           HG1      THR  61 -18.494  -0.503  -0.775
  402   HG21  THR  61          HG21      THR  61 -19.873   1.864  -1.141
  403   HG22  THR  61          HG22      THR  61 -20.447   2.507   0.399
  404   HG23  THR  61          HG23      THR  61 -21.291   1.159  -0.364
  405    HA   PRO  62           HA       PRO  62 -17.078   4.647   3.137
  406    HB2  PRO  62           HB2      PRO  62 -17.684   6.786   1.463
  407    HB3  PRO  62           HB1      PRO  62 -16.075   6.108   1.721
  408    HG2  PRO  62           HG2      PRO  62 -17.991   5.650  -0.510
  409    HG3  PRO  62           HG1      PRO  62 -16.223   5.739  -0.545
  410    HD2  PRO  62           HD2      PRO  62 -17.538   3.399  -0.703
  411    HD3  PRO  62           HD1      PRO  62 -15.972   3.543   0.120
  412    H    ALA  63           HN       ALA  63 -18.497   5.440   4.550
  413    HA   ALA  63           HA       ALA  63 -21.284   5.011   4.135
  414    HB1  ALA  63           HB1      ALA  63 -19.869   6.432   6.390
  415    HB2  ALA  63           HB2      ALA  63 -20.237   4.708   6.328
  416    HB3  ALA  63           HB3      ALA  63 -21.546   5.888   6.397
  417    HA   PRO  64           HA       PRO  64 -22.265   9.002   2.458
  418    HB2  PRO  64           HB2      PRO  64 -24.948   8.936   2.772
  419    HB3  PRO  64           HB1      PRO  64 -24.113   7.957   1.563
  420    HG2  PRO  64           HG2      PRO  64 -25.143   7.166   4.257
  421    HG3  PRO  64           HG1      PRO  64 -25.235   6.286   2.722
  422    HD2  PRO  64           HD2      PRO  64 -23.394   5.738   4.657
  423    HD3  PRO  64           HD1      PRO  64 -23.107   5.454   2.929
  424    H    VAL  65           HN       VAL  65 -21.174   9.288   4.930
  425    HA   VAL  65           HA       VAL  65 -23.073  10.713   6.615
  426    HB   VAL  65           HB       VAL  65 -21.558   9.268   7.800
  427   HG11  VAL  65          HG11      VAL  65 -19.315  10.825   6.519
  428   HG12  VAL  65          HG12      VAL  65 -19.741   9.144   6.201
  429   HG13  VAL  65          HG13      VAL  65 -19.123   9.612   7.786
  430   HG21  VAL  65          HG21      VAL  65 -22.154  11.327   8.936
  431   HG22  VAL  65          HG22      VAL  65 -20.784  12.155   8.198
  432   HG23  VAL  65          HG23      VAL  65 -20.509  10.852   9.354
  433    H    GLU  66           HN       GLU  66 -23.360  12.825   6.501
  434    HA   GLU  66           HA       GLU  66 -21.226  14.456   5.320
  435    HB2  GLU  66           HB2      GLU  66 -23.094  15.955   4.472
  436    HB3  GLU  66           HB1      GLU  66 -22.900  14.410   3.661
  437    HG2  GLU  66           HG2      GLU  66 -24.758  13.518   5.057
  438    HG3  GLU  66           HG1      GLU  66 -24.999  15.147   5.688
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  24.872   1.198 -23.495
    2    H2   GLY   1           HT2      GLY   1  25.751   2.529 -24.052
    3    H3   GLY   1           HT3      GLY   1  24.225   2.196 -24.696
    4    HA2  GLY   1           HA1      GLY   1  24.771   2.984 -21.893
    5    HA3  GLY   1           HA2      GLY   1  24.130   4.045 -23.142
    6    H    ALA   2           HN       ALA   2  22.572   4.009 -21.091
    7    HA   ALA   2           HA       ALA   2  20.471   3.617 -20.328
    8    HB1  ALA   2           HB1      ALA   2  18.777   2.869 -21.900
    9    HB2  ALA   2           HB2      ALA   2  20.027   2.327 -23.019
   10    HB3  ALA   2           HB3      ALA   2  19.846   4.045 -22.664
   11    H    MET   3           HN       MET   3  18.731   1.407 -20.814
   12    HA   MET   3           HA       MET   3  18.266  -0.687 -20.069
   13    HB2  MET   3           HB2      MET   3  21.199  -1.175 -20.615
   14    HB3  MET   3           HB1      MET   3  20.024  -2.431 -20.253
   15    HG2  MET   3           HG2      MET   3  18.802  -1.915 -22.277
   16    HG3  MET   3           HG1      MET   3  19.902  -0.583 -22.626
   17    HE1  MET   3           HE1      MET   3  22.726  -1.915 -21.764
   18    HE2  MET   3           HE2      MET   3  22.459  -0.898 -23.180
   19    HE3  MET   3           HE3      MET   3  23.256  -2.462 -23.353
   20    H    GLU   4           HN       GLU   4  19.188   1.445 -18.272
   21    HA   GLU   4           HA       GLU   4  20.720   0.254 -16.168
   22    HB2  GLU   4           HB2      GLU   4  18.970   2.724 -16.137
   23    HB3  GLU   4           HB1      GLU   4  20.173   2.296 -14.927
   24    HG2  GLU   4           HG2      GLU   4  21.955   2.607 -16.467
   25    HG3  GLU   4           HG1      GLU   4  20.839   2.756 -17.822
   26    H    GLY   5           HN       GLY   5  17.375   0.511 -16.999
   27    HA2  GLY   5           HA2      GLY   5  16.601  -0.790 -14.480
   28    HA3  GLY   5           HA1      GLY   5  15.499  -0.009 -15.609
   29    H    GLN   6           HN       GLN   6  18.059  -2.439 -16.011
   30    HA   GLN   6           HA       GLN   6  16.757  -3.878 -18.025
   31    HB2  GLN   6           HB2      GLN   6  19.164  -4.074 -17.593
   32    HB3  GLN   6           HB1      GLN   6  18.833  -4.819 -16.035
   33    HG2  GLN   6           HG2      GLN   6  17.673  -6.664 -17.274
   34    HG3  GLN   6           HG1      GLN   6  18.299  -5.959 -18.763
   35   HE21  GLN   6          HE21      GLN   6  20.499  -6.075 -19.194
   36   HE22  GLN   6          HE22      GLN   6  21.547  -7.156 -18.341
   37    H    GLN   7           HN       GLN   7  16.927  -4.380 -14.546
   38    HA   GLN   7           HA       GLN   7  14.493  -6.015 -14.705
   39    HB2  GLN   7           HB2      GLN   7  16.921  -6.564 -12.986
   40    HB3  GLN   7           HB1      GLN   7  15.398  -7.438 -12.885
   41    HG2  GLN   7           HG2      GLN   7  15.699  -8.269 -15.145
   42    HG3  GLN   7           HG1      GLN   7  17.188  -7.340 -15.304
   43   HE21  GLN   7          HE21      GLN   7  19.018  -7.992 -14.180
   44   HE22  GLN   7          HE22      GLN   7  19.172  -9.585 -13.524
   45    H    ASN   8           HN       ASN   8  13.169  -4.370 -13.996
   46    HA   ASN   8           HA       ASN   8  13.891  -2.722 -11.765
   47    HB2  ASN   8           HB2      ASN   8  11.385  -3.002 -13.396
   48    HB3  ASN   8           HB1      ASN   8  11.394  -2.049 -11.918
   49   HD21  ASN   8          HD21      ASN   8  12.321  -2.200 -15.217
   50   HD22  ASN   8          HD22      ASN   8  12.994  -0.612 -15.326
   51    H    LEU   9           HN       LEU   9  14.357  -4.318 -10.218
   52    HA   LEU   9           HA       LEU   9  12.282  -5.993  -9.161
   53    HB2  LEU   9           HB2      LEU   9  14.604  -6.679  -8.999
   54    HB3  LEU   9           HB1      LEU   9  15.006  -5.226  -8.109
   55    HG   LEU   9           HG       LEU   9  13.485  -6.031  -6.272
   56   HD11  LEU   9          HD11      LEU   9  12.138  -7.580  -7.581
   57   HD12  LEU   9          HD12      LEU   9  12.913  -8.400  -6.225
   58   HD13  LEU   9          HD13      LEU   9  13.556  -8.592  -7.857
   59   HD21  LEU   9          HD21      LEU   9  15.106  -7.649  -5.401
   60   HD22  LEU   9          HD22      LEU   9  15.899  -6.245  -6.117
   61   HD23  LEU   9          HD23      LEU   9  15.836  -7.769  -7.002
   62    H    ALA  10           HN       ALA  10  10.852  -5.508  -7.615
   63    HA   ALA  10           HA       ALA  10  10.813  -2.866  -6.459
   64    HB1  ALA  10           HB1      ALA  10   8.718  -3.601  -5.412
   65    HB2  ALA  10           HB2      ALA  10   9.000  -5.236  -6.005
   66    HB3  ALA  10           HB3      ALA  10   8.721  -3.922  -7.146
   67    HA   PRO  11           HA       PRO  11  13.426  -4.095  -3.064
   68    HB2  PRO  11           HB2      PRO  11  12.309  -1.664  -1.798
   69    HB3  PRO  11           HB1      PRO  11  13.994  -2.100  -2.100
   70    HG2  PRO  11           HG2      PRO  11  12.784  -0.226  -3.559
   71    HG3  PRO  11           HG1      PRO  11  13.926  -1.366  -4.297
   72    HD2  PRO  11           HD2      PRO  11  10.934  -1.362  -4.376
   73    HD3  PRO  11           HD1      PRO  11  12.100  -1.736  -5.663
   74    H    GLY  12           HN       GLY  12  10.048  -3.474  -2.860
   75    HA2  GLY  12           HA2      GLY  12   8.620  -4.991  -1.672
   76    HA3  GLY  12           HA1      GLY  12   9.908  -5.222  -0.498
   77    H    ALA  13           HN       ALA  13  10.624  -2.764   0.243
   78    HA   ALA  13           HA       ALA  13   8.132  -1.593   1.277
   79    HB1  ALA  13           HB1      ALA  13   9.561  -2.600   3.008
   80    HB2  ALA  13           HB2      ALA  13   9.384  -0.859   3.219
   81    HB3  ALA  13           HB3      ALA  13  10.870  -1.515   2.539
   82    H    ARG  14           HN       ARG  14   8.137  -0.453  -0.818
   83    HA   ARG  14           HA       ARG  14   9.255   2.176  -0.400
   84    HB2  ARG  14           HB2      ARG  14  11.006   0.961  -1.712
   85    HB3  ARG  14           HB1      ARG  14   9.822   0.713  -2.987
   86    HG2  ARG  14           HG2      ARG  14   9.647   3.091  -3.349
   87    HG3  ARG  14           HG1      ARG  14  10.723   3.407  -1.988
   88    HD2  ARG  14           HD2      ARG  14  11.455   1.930  -4.513
   89    HD3  ARG  14           HD1      ARG  14  11.892   3.594  -4.131
   90    HE   ARG  14           HE       ARG  14  12.759   1.728  -2.138
   91   HH11  ARG  14          HH11      ARG  14  13.567   3.174  -5.218
   92   HH12  ARG  14          HH12      ARG  14  15.263   2.852  -5.068
   93   HH21  ARG  14          HH21      ARG  14  14.985   1.300  -1.935
   94   HH22  ARG  14          HH22      ARG  14  16.074   1.789  -3.196
   95    H    CYS  15           HN       CYS  15   7.803   3.642  -0.921
   96    HA   CYS  15           HA       CYS  15   5.303   2.819  -2.115
   97    HB2  CYS  15           HB2      CYS  15   5.145   4.188  -0.189
   98    HB3  CYS  15           HB1      CYS  15   6.363   5.300  -0.784
   99    H    GLY  16           HN       GLY  16   5.280   2.666  -4.276
  100    HA2  GLY  16           HA2      GLY  16   7.161   4.043  -5.927
  101    HA3  GLY  16           HA1      GLY  16   5.872   2.987  -6.475
  102    H    VAL  17           HN       VAL  17   4.209   5.025  -4.675
  103    HA   VAL  17           HA       VAL  17   3.242   6.525  -6.892
  104    HB   VAL  17           HB       VAL  17   2.687   6.977  -3.958
  105   HG11  VAL  17          HG11      VAL  17   2.027   8.860  -5.349
  106   HG12  VAL  17          HG12      VAL  17   0.604   8.003  -4.756
  107   HG13  VAL  17          HG13      VAL  17   1.141   7.776  -6.420
  108   HG21  VAL  17          HG21      VAL  17   0.684   5.597  -4.319
  109   HG22  VAL  17          HG22      VAL  17   2.173   4.686  -4.568
  110   HG23  VAL  17          HG23      VAL  17   1.237   5.243  -5.954
  111    H    CYS  18           HN       CYS  18   5.543   7.131  -4.342
  112    HA   CYS  18           HA       CYS  18   5.998   9.803  -5.490
  113    HB2  CYS  18           HB2      CYS  18   6.768  10.562  -3.296
  114    HB3  CYS  18           HB1      CYS  18   5.121   9.954  -3.193
  115    H    GLY  19           HN       GLY  19   7.414   6.850  -4.221
  116    HA2  GLY  19           HA2      GLY  19   9.379   5.999  -5.397
  117    HA3  GLY  19           HA1      GLY  19   9.982   7.649  -5.442
  118    H    ASP  20           HN       ASP  20   8.718   7.705  -2.579
  119    HA   ASP  20           HA       ASP  20  11.216   6.950  -1.260
  120    HB2  ASP  20           HB2      ASP  20  10.533   9.202  -0.827
  121    HB3  ASP  20           HB1      ASP  20   8.891   8.696  -0.437
  122    H    GLY  21           HN       GLY  21  11.203   5.729   0.717
  123    HA2  GLY  21           HA2      GLY  21   8.761   4.125   1.122
  124    HA3  GLY  21           HA1      GLY  21  10.330   3.353   0.972
  125    H    THR  22           HN       THR  22  10.430   6.350   2.618
  126    HA   THR  22           HA       THR  22  11.010   4.961   5.089
  127    HB   THR  22           HB       THR  22  12.370   6.946   4.337
  128    HG1  THR  22           HG1      THR  22  12.509   6.342   6.483
  129   HG21  THR  22          HG21      THR  22  11.511   9.189   4.834
  130   HG22  THR  22          HG22      THR  22   9.935   8.499   5.224
  131   HG23  THR  22          HG23      THR  22  10.557   8.403   3.576
  132    H    ASP  23           HN       ASP  23   9.787   4.920   6.906
  133    HA   ASP  23           HA       ASP  23   7.852   4.775   8.095
  134    HB2  ASP  23           HB2      ASP  23   8.331   7.211   8.350
  135    HB3  ASP  23           HB1      ASP  23   7.316   7.529   6.952
  136    H    VAL  24           HN       VAL  24   7.681   3.325   5.941
  137    HA   VAL  24           HA       VAL  24   5.440   4.149   4.292
  138    HB   VAL  24           HB       VAL  24   7.596   3.091   3.414
  139   HG11  VAL  24          HG11      VAL  24   7.800   1.248   4.952
  140   HG12  VAL  24          HG12      VAL  24   7.651   0.650   3.300
  141   HG13  VAL  24          HG13      VAL  24   6.268   0.578   4.392
  142   HG21  VAL  24          HG21      VAL  24   6.446   1.962   1.607
  143   HG22  VAL  24          HG22      VAL  24   5.632   3.462   2.049
  144   HG23  VAL  24          HG23      VAL  24   4.967   1.912   2.568
  145    H    LEU  25           HN       LEU  25   3.454   3.192   4.283
  146    HA   LEU  25           HA       LEU  25   2.783   1.781   6.718
  147    HB2  LEU  25           HB2      LEU  25   1.053   2.829   4.473
  148    HB3  LEU  25           HB1      LEU  25   0.440   2.095   5.945
  149    HG   LEU  25           HG       LEU  25   2.054   4.644   5.811
  150   HD11  LEU  25          HD11      LEU  25  -0.033   5.749   6.388
  151   HD12  LEU  25          HD12      LEU  25  -0.881   4.204   6.321
  152   HD13  LEU  25          HD13      LEU  25  -0.174   4.887   4.856
  153   HD21  LEU  25          HD21      LEU  25   0.648   3.328   8.132
  154   HD22  LEU  25          HD22      LEU  25   1.469   4.888   8.163
  155   HD23  LEU  25          HD23      LEU  25   2.393   3.412   7.895
  156    H    ARG  26           HN       ARG  26   1.655  -0.187   6.801
  157    HA   ARG  26           HA       ARG  26   2.095  -1.904   4.446
  158    HB2  ARG  26           HB2      ARG  26   2.222  -2.629   7.381
  159    HB3  ARG  26           HB1      ARG  26   2.357  -3.778   6.059
  160    HG2  ARG  26           HG2      ARG  26   4.250  -1.493   6.565
  161    HG3  ARG  26           HG1      ARG  26   4.531  -3.172   7.026
  162    HD2  ARG  26           HD2      ARG  26   4.137  -2.153   4.214
  163    HD3  ARG  26           HD1      ARG  26   5.680  -2.594   4.941
  164    HE   ARG  26           HE       ARG  26   3.852  -4.757   5.097
  165   HH11  ARG  26          HH11      ARG  26   5.920  -3.054   2.852
  166   HH12  ARG  26          HH12      ARG  26   6.105  -4.412   1.789
  167   HH21  ARG  26          HH21      ARG  26   4.109  -6.557   3.714
  168   HH22  ARG  26          HH22      ARG  26   5.084  -6.406   2.282
  169    H    CYS  27           HN       CYS  27   0.362  -2.881   3.631
  170    HA   CYS  27           HA       CYS  27  -2.245  -2.443   4.618
  171    HB2  CYS  27           HB2      CYS  27  -1.530  -2.990   2.219
  172    HB3  CYS  27           HB1      CYS  27  -1.447  -4.679   2.727
  173    H    THR  28           HN       THR  28  -3.593  -3.716   5.865
  174    HA   THR  28           HA       THR  28  -2.296  -5.825   7.384
  175    HB   THR  28           HB       THR  28  -4.411  -5.832   8.713
  176    HG1  THR  28           HG1      THR  28  -6.058  -4.554   8.155
  177   HG21  THR  28          HG21      THR  28  -3.122  -3.125   8.350
  178   HG22  THR  28          HG22      THR  28  -2.517  -4.426   9.374
  179   HG23  THR  28          HG23      THR  28  -4.052  -3.646   9.754
  180    H    HIS  29           HN       HIS  29  -4.425  -5.535   4.728
  181    HA   HIS  29           HA       HIS  29  -5.521  -8.216   5.095
  182    HB2  HIS  29           HB2      HIS  29  -6.147  -6.008   3.143
  183    HB3  HIS  29           HB1      HIS  29  -6.803  -7.631   2.966
  184    HD1  HIS  29           HD1      HIS  29  -9.096  -7.784   3.862
  185    HD2  HIS  29           HD2      HIS  29  -6.783  -5.069   5.998
  186    HE1  HIS  29           HE1      HIS  29 -10.608  -6.857   5.643
  187    HE2  HIS  29           HE2      HIS  29  -9.108  -5.421   7.066
  188    H    CYS  30           HN       CYS  30  -3.076  -6.582   3.334
  189    HA   CYS  30           HA       CYS  30  -2.208  -9.095   2.214
  190    HB2  CYS  30           HB2      CYS  30  -2.237  -8.511  -0.055
  191    HB3  CYS  30           HB1      CYS  30  -3.787  -7.913   0.523
  192    H    ALA  31           HN       ALA  31  -0.181  -8.146   0.600
  193    HA   ALA  31           HA       ALA  31   1.478  -6.712   2.541
  194    HB1  ALA  31           HB1      ALA  31   3.402  -7.681   1.421
  195    HB2  ALA  31           HB2      ALA  31   2.352  -8.413   0.208
  196    HB3  ALA  31           HB3      ALA  31   2.270  -8.952   1.885
  197    H    ALA  32           HN       ALA  32   1.724  -4.627   2.128
  198    HA   ALA  32           HA       ALA  32   2.394  -3.710  -0.520
  199    HB1  ALA  32           HB1      ALA  32  -0.060  -3.739  -0.632
  200    HB2  ALA  32           HB2      ALA  32   0.576  -2.096  -0.708
  201    HB3  ALA  32           HB3      ALA  32  -0.131  -2.699   0.789
  202    H    ALA  33           HN       ALA  33   3.801  -2.125  -0.357
  203    HA   ALA  33           HA       ALA  33   3.944  -0.581   2.149
  204    HB1  ALA  33           HB1      ALA  33   6.261  -0.129   1.579
  205    HB2  ALA  33           HB2      ALA  33   6.079  -1.002   0.058
  206    HB3  ALA  33           HB3      ALA  33   5.966  -1.866   1.590
  207    H    PHE  34           HN       PHE  34   2.954   1.303   1.966
  208    HA   PHE  34           HA       PHE  34   3.558   3.061  -0.248
  209    HB2  PHE  34           HB2      PHE  34   1.261   3.399  -0.944
  210    HB3  PHE  34           HB1      PHE  34   1.648   1.688  -1.081
  211    HD1  PHE  34           HD2      PHE  34   0.865   0.126   0.740
  212    HD2  PHE  34           HD1      PHE  34  -0.540   4.127   0.376
  213    HE1  PHE  34           HE2      PHE  34  -1.085  -0.438   2.126
  214    HE2  PHE  34           HE1      PHE  34  -2.492   3.568   1.762
  215    HZ   PHE  34           HZ       PHE  34  -2.765   1.311   2.650
  216    H    HIS  35           HN       HIS  35   2.602   5.238   0.128
  217    HA   HIS  35           HA       HIS  35   2.128   5.732   2.986
  218    HB2  HIS  35           HB2      HIS  35   2.694   7.720   0.770
  219    HB3  HIS  35           HB1      HIS  35   2.523   8.105   2.476
  220    HD2  HIS  35           HD2      HIS  35   4.582   5.958   3.768
  221    HE1  HIS  35           HE1      HIS  35   7.337   7.622   1.015
  222    HE2  HIS  35           HE2      HIS  35   7.084   6.447   3.255
  223    H    TRP  36           HN       TRP  36   0.204   6.378   3.690
  224    HA   TRP  36           HA       TRP  36  -2.117   5.999   2.198
  225    HB2  TRP  36           HB2      TRP  36  -1.957   5.951   4.685
  226    HB3  TRP  36           HB1      TRP  36  -1.804   7.702   4.678
  227    HD1  TRP  36           HD1      TRP  36  -4.000   9.101   4.534
  228    HE1  TRP  36           HE1      TRP  36  -6.499   8.500   4.476
  229    HE3  TRP  36           HE3      TRP  36  -3.598   4.068   3.740
  230    HZ2  TRP  36           HZ2      TRP  36  -8.092   6.185   4.134
  231    HZ3  TRP  36           HZ3      TRP  36  -5.655   2.735   3.558
  232    HH2  TRP  36           HH2      TRP  36  -7.857   3.772   3.751
  233    H    ARG  37           HN       ARG  37  -0.343   8.967   2.945
  234    HA   ARG  37           HA       ARG  37  -2.228  10.759   1.827
  235    HB2  ARG  37           HB2      ARG  37   0.738  11.063   2.307
  236    HB3  ARG  37           HB1      ARG  37  -0.321  12.374   1.808
  237    HG2  ARG  37           HG2      ARG  37  -1.613  12.114   3.866
  238    HG3  ARG  37           HG1      ARG  37  -0.538  10.807   4.369
  239    HD2  ARG  37           HD2      ARG  37   1.355  12.354   4.338
  240    HD3  ARG  37           HD1      ARG  37   0.283  13.658   3.830
  241    HE   ARG  37           HE       ARG  37  -0.626  12.461   6.242
  242   HH11  ARG  37          HH11      ARG  37   1.784  14.658   4.972
  243   HH12  ARG  37          HH12      ARG  37   1.937  15.547   6.453
  244   HH21  ARG  37          HH21      ARG  37  -0.411  13.622   8.205
  245   HH22  ARG  37          HH22      ARG  37   0.698  14.953   8.294
  246    H    CYS  38           HN       CYS  38   0.357   8.873   0.455
  247    HA   CYS  38           HA       CYS  38   0.426  10.265  -2.040
  248    HB2  CYS  38           HB2      CYS  38   1.479   7.550  -1.220
  249    HB3  CYS  38           HB1      CYS  38   1.737   8.263  -2.808
  250    H    HIS  39           HN       HIS  39  -1.578   7.871  -0.643
  251    HA   HIS  39           HA       HIS  39  -2.629   7.037  -3.242
  252    HB2  HIS  39           HB2      HIS  39  -2.812   5.952  -0.467
  253    HB3  HIS  39           HB1      HIS  39  -4.099   5.574  -1.606
  254    HD1  HIS  39           HD1      HIS  39  -3.673   3.233  -2.261
  255    HD2  HIS  39           HD2      HIS  39  -0.206   5.513  -2.309
  256    HE1  HIS  39           HE1      HIS  39  -1.874   1.703  -3.124
  257    HE2  HIS  39           HE2      HIS  39   0.146   3.182  -3.378
  258    H    PHE  40           HN       PHE  40  -3.838   8.252  -0.133
  259    HA   PHE  40           HA       PHE  40  -6.270   9.156  -1.527
  260    HB2  PHE  40           HB2      PHE  40  -5.929   8.329   1.367
  261    HB3  PHE  40           HB1      PHE  40  -7.432   8.879   0.632
  262    HD1  PHE  40           HD2      PHE  40  -8.556   7.474  -1.071
  263    HD2  PHE  40           HD1      PHE  40  -5.170   6.099   1.107
  264    HE1  PHE  40           HE2      PHE  40  -9.086   5.160  -1.713
  265    HE2  PHE  40           HE1      PHE  40  -5.693   3.780   0.466
  266    HZ   PHE  40           HZ       PHE  40  -7.654   3.309  -0.943
  267    HA   PRO  41           HA       PRO  41  -5.252  13.303  -0.367
  268    HB2  PRO  41           HB2      PRO  41  -7.774  14.328  -0.115
  269    HB3  PRO  41           HB1      PRO  41  -6.989  14.037  -1.671
  270    HG2  PRO  41           HG2      PRO  41  -8.984  12.353  -0.209
  271    HG3  PRO  41           HG1      PRO  41  -8.902  12.747  -1.936
  272    HD2  PRO  41           HD2      PRO  41  -8.052  10.384  -0.969
  273    HD3  PRO  41           HD1      PRO  41  -7.254  11.180  -2.340
  274    H    ALA  42           HN       ALA  42  -5.651  14.891   1.339
  275    HA   ALA  42           HA       ALA  42  -5.171  13.652   3.822
  276    HB1  ALA  42           HB1      ALA  42  -4.936  15.890   4.708
  277    HB2  ALA  42           HB2      ALA  42  -5.715  16.563   3.276
  278    HB3  ALA  42           HB3      ALA  42  -4.146  15.772   3.136
  279    H    GLY  43           HN       GLY  43  -8.107  14.587   2.359
  280    HA2  GLY  43           HA2      GLY  43  -9.588  14.999   4.786
  281    HA3  GLY  43           HA1      GLY  43 -10.261  14.763   3.180
  282    H    THR  44           HN       THR  44  -8.454  12.269   3.080
  283    HA   THR  44           HA       THR  44 -10.391  10.445   4.257
  284    HB   THR  44           HB       THR  44  -7.883   9.743   2.720
  285    HG1  THR  44           HG1      THR  44 -10.170  10.952   1.865
  286   HG21  THR  44          HG21      THR  44  -9.049   7.679   2.224
  287   HG22  THR  44          HG22      THR  44 -10.488   8.255   3.062
  288   HG23  THR  44          HG23      THR  44  -9.013   7.924   3.970
  289    H    SER  45           HN       SER  45 -10.038   9.348   6.134
  290    HA   SER  45           HA       SER  45  -7.686  10.149   7.633
  291    HB2  SER  45           HB2      SER  45  -8.970   8.961   9.521
  292    HB3  SER  45           HB1      SER  45  -9.673  10.437   8.860
  293    HG   SER  45           HG       SER  45 -11.198   9.283   7.836
  294    H    ARG  46           HN       ARG  46  -6.135   8.839   8.393
  295    HA   ARG  46           HA       ARG  46  -5.723   6.346   7.034
  296    HB2  ARG  46           HB2      ARG  46  -3.892   7.953   7.541
  297    HB3  ARG  46           HB1      ARG  46  -4.115   7.628   9.253
  298    HG2  ARG  46           HG2      ARG  46  -3.621   5.200   8.714
  299    HG3  ARG  46           HG1      ARG  46  -3.094   5.769   7.128
  300    HD2  ARG  46           HD2      ARG  46  -1.159   5.606   8.515
  301    HD3  ARG  46           HD1      ARG  46  -1.519   7.320   8.302
  302    HE   ARG  46           HE       ARG  46  -2.670   6.139  10.670
  303   HH11  ARG  46          HH11      ARG  46   0.118   7.777   9.330
  304   HH12  ARG  46          HH12      ARG  46   0.685   8.330  10.873
  305   HH21  ARG  46          HH21      ARG  46  -1.923   6.869  12.696
  306   HH22  ARG  46          HH22      ARG  46  -0.476   7.824  12.782
  307    HA   PRO  47           HA       PRO  47  -7.752   3.994  10.291
  308    HB2  PRO  47           HB2      PRO  47  -6.785   1.641   8.851
  309    HB3  PRO  47           HB1      PRO  47  -8.445   2.161   9.147
  310    HG2  PRO  47           HG2      PRO  47  -7.295   2.234   6.695
  311    HG3  PRO  47           HG1      PRO  47  -8.548   3.376   7.209
  312    HD2  PRO  47           HD2      PRO  47  -5.592   3.760   7.013
  313    HD3  PRO  47           HD1      PRO  47  -6.909   4.895   6.644
  314    H    GLY  48           HN       GLY  48  -6.902   3.395  12.176
  315    HA2  GLY  48           HA2      GLY  48  -4.035   2.918  12.360
  316    HA3  GLY  48           HA1      GLY  48  -5.151   3.127  13.703
  317    H    THR  49           HN       THR  49  -7.052   1.216  13.006
  318    HA   THR  49           HA       THR  49  -5.509  -1.274  13.276
  319    HB   THR  49           HB       THR  49  -7.750  -2.059  14.382
  320    HG1  THR  49           HG1      THR  49  -9.137  -0.494  14.633
  321   HG21  THR  49          HG21      THR  49  -6.914  -1.341  16.586
  322   HG22  THR  49          HG22      THR  49  -5.816  -0.212  15.790
  323   HG23  THR  49          HG23      THR  49  -5.617  -1.949  15.558
  324    H    GLY  50           HN       GLY  50  -5.577  -1.131  10.872
  325    HA2  GLY  50           HA2      GLY  50  -6.798  -2.972   9.512
  326    HA3  GLY  50           HA1      GLY  50  -8.165  -1.884   9.715
  327    H    LEU  51           HN       LEU  51  -4.731  -1.374   8.990
  328    HA   LEU  51           HA       LEU  51  -5.248   0.727   7.157
  329    HB2  LEU  51           HB2      LEU  51  -3.143   0.250   8.560
  330    HB3  LEU  51           HB1      LEU  51  -2.719  -0.909   7.320
  331    HG   LEU  51           HG       LEU  51  -1.583   1.324   7.148
  332   HD11  LEU  51          HD11      LEU  51  -1.818   1.505   4.737
  333   HD12  LEU  51          HD12      LEU  51  -3.280   0.521   4.796
  334   HD13  LEU  51          HD13      LEU  51  -1.724  -0.184   5.238
  335   HD21  LEU  51          HD21      LEU  51  -2.813   3.205   6.270
  336   HD22  LEU  51          HD22      LEU  51  -3.529   2.688   7.798
  337   HD23  LEU  51          HD23      LEU  51  -4.305   2.267   6.271
  338    H    ARG  52           HN       ARG  52  -5.844   0.594   5.094
  339    HA   ARG  52           HA       ARG  52  -5.512  -1.986   3.714
  340    HB2  ARG  52           HB2      ARG  52  -7.757   0.022   3.477
  341    HB3  ARG  52           HB1      ARG  52  -7.560  -1.369   2.423
  342    HG2  ARG  52           HG2      ARG  52  -7.751  -2.838   4.413
  343    HG3  ARG  52           HG1      ARG  52  -8.098  -1.404   5.383
  344    HD2  ARG  52           HD2      ARG  52 -10.033  -0.925   3.938
  345    HD3  ARG  52           HD1      ARG  52  -9.699  -2.398   3.029
  346    HE   ARG  52           HE       ARG  52 -10.180  -2.605   5.908
  347   HH11  ARG  52          HH11      ARG  52 -11.262  -3.183   2.622
  348   HH12  ARG  52          HH12      ARG  52 -12.549  -4.244   3.103
  349   HH21  ARG  52          HH21      ARG  52 -11.880  -3.988   6.540
  350   HH22  ARG  52          HH22      ARG  52 -12.905  -4.701   5.330
  351    H    CYS  53           HN       CYS  53  -4.573  -1.979   1.777
  352    HA   CYS  53           HA       CYS  53  -3.522   0.440   0.652
  353    HB2  CYS  53           HB2      CYS  53  -2.516  -0.966  -0.995
  354    HB3  CYS  53           HB1      CYS  53  -2.434  -1.852   0.522
  355    H    ARG  54           HN       ARG  54  -3.903   0.457  -1.985
  356    HA   ARG  54           HA       ARG  54  -6.440   1.597  -2.268
  357    HB2  ARG  54           HB2      ARG  54  -4.565   2.163  -3.735
  358    HB3  ARG  54           HB1      ARG  54  -4.587   0.542  -4.411
  359    HG2  ARG  54           HG2      ARG  54  -6.781   0.937  -5.361
  360    HG3  ARG  54           HG1      ARG  54  -6.821   2.545  -4.637
  361    HD2  ARG  54           HD2      ARG  54  -6.210   2.636  -7.005
  362    HD3  ARG  54           HD1      ARG  54  -4.901   3.212  -5.975
  363    HE   ARG  54           HE       ARG  54  -4.491   0.489  -6.454
  364   HH11  ARG  54          HH11      ARG  54  -4.580   3.471  -8.282
  365   HH12  ARG  54          HH12      ARG  54  -3.380   2.956  -9.425
  366   HH21  ARG  54          HH21      ARG  54  -2.919  -0.199  -7.955
  367   HH22  ARG  54          HH22      ARG  54  -2.439   0.858  -9.244
  368    H    SER  55           HN       SER  55  -5.255  -1.607  -3.190
  369    HA   SER  55           HA       SER  55  -7.570  -2.417  -4.565
  370    HB2  SER  55           HB2      SER  55  -5.658  -4.270  -3.176
  371    HB3  SER  55           HB1      SER  55  -6.582  -4.563  -4.647
  372    HG   SER  55           HG       SER  55  -5.306  -2.782  -5.565
  373    H    CYS  56           HN       CYS  56  -6.466  -3.174  -1.268
  374    HA   CYS  56           HA       CYS  56  -8.780  -4.711  -0.644
  375    HB2  CYS  56           HB2      CYS  56  -6.746  -3.511   1.243
  376    HB3  CYS  56           HB1      CYS  56  -7.902  -4.777   1.636
  377    H    SER  57           HN       SER  57  -8.163  -1.344  -0.665
  378    HA   SER  57           HA       SER  57 -10.222  -0.693   1.258
  379    HB2  SER  57           HB2      SER  57  -8.242   0.774   0.963
  380    HB3  SER  57           HB1      SER  57  -8.758   1.113  -0.686
  381    HG   SER  57           HG       SER  57 -10.813   1.807   0.427
  382    H    GLY  58           HN       GLY  58 -10.421  -2.026  -1.650
  383    HA2  GLY  58           HA2      GLY  58 -12.579  -2.429  -2.585
  384    HA3  GLY  58           HA1      GLY  58 -13.054  -0.811  -2.098
  385    H    ASP  59           HN       ASP  59 -10.207  -1.931  -3.936
  386    HA   ASP  59           HA       ASP  59 -10.905  -0.069  -6.063
  387    HB2  ASP  59           HB2      ASP  59  -8.521  -0.357  -5.306
  388    HB3  ASP  59           HB1      ASP  59  -8.580  -1.988  -5.967
  389    H    VAL  60           HN       VAL  60 -11.236  -3.292  -5.227
  390    HA   VAL  60           HA       VAL  60 -11.813  -4.215  -7.917
  391    HB   VAL  60           HB       VAL  60 -12.366  -6.386  -6.708
  392   HG11  VAL  60          HG11      VAL  60 -10.238  -6.036  -7.832
  393   HG12  VAL  60          HG12      VAL  60 -10.001  -6.949  -6.343
  394   HG13  VAL  60          HG13      VAL  60  -9.595  -5.234  -6.399
  395   HG21  VAL  60          HG21      VAL  60 -11.105  -4.935  -4.379
  396   HG22  VAL  60          HG22      VAL  60 -11.536  -6.645  -4.429
  397   HG23  VAL  60          HG23      VAL  60 -12.797  -5.415  -4.494
  398    H    THR  61           HN       THR  61 -13.416  -2.186  -7.354
  399    HA   THR  61           HA       THR  61 -15.981  -3.307  -6.460
  400    HB   THR  61           HB       THR  61 -15.158  -0.406  -6.722
  401    HG1  THR  61           HG1      THR  61 -14.392  -0.627  -4.768
  402   HG21  THR  61          HG21      THR  61 -17.623  -1.663  -5.508
  403   HG22  THR  61          HG22      THR  61 -17.563  -0.721  -6.996
  404   HG23  THR  61          HG23      THR  61 -17.212   0.049  -5.450
  405    HA   PRO  62           HA       PRO  62 -17.216  -3.304 -10.780
  406    HB2  PRO  62           HB2      PRO  62 -19.896  -3.344  -9.495
  407    HB3  PRO  62           HB1      PRO  62 -19.225  -4.410 -10.733
  408    HG2  PRO  62           HG2      PRO  62 -19.495  -5.241  -8.215
  409    HG3  PRO  62           HG1      PRO  62 -18.093  -5.712  -9.194
  410    HD2  PRO  62           HD2      PRO  62 -18.289  -3.684  -7.012
  411    HD3  PRO  62           HD1      PRO  62 -16.958  -4.788  -7.415
  412    H    ALA  63           HN       ALA  63 -17.642  -1.625 -12.080
  413    HA   ALA  63           HA       ALA  63 -18.001   0.967 -10.997
  414    HB1  ALA  63           HB1      ALA  63 -18.054   1.716 -13.321
  415    HB2  ALA  63           HB2      ALA  63 -18.203   0.043 -13.858
  416    HB3  ALA  63           HB3      ALA  63 -16.736   0.580 -13.042
  417    HA   PRO  64           HA       PRO  64 -22.483   1.114 -10.821
  418    HB2  PRO  64           HB2      PRO  64 -22.002   4.033 -10.908
  419    HB3  PRO  64           HB1      PRO  64 -22.870   3.075  -9.706
  420    HG2  PRO  64           HG2      PRO  64 -20.468   4.119  -9.172
  421    HG3  PRO  64           HG1      PRO  64 -20.942   2.526  -8.553
  422    HD2  PRO  64           HD2      PRO  64 -19.158   3.212 -10.856
  423    HD3  PRO  64           HD1      PRO  64 -18.992   1.927  -9.641
  424    H    VAL  65           HN       VAL  65 -23.415   0.614 -12.715
  425    HA   VAL  65           HA       VAL  65 -23.326   2.626 -14.849
  426    HB   VAL  65           HB       VAL  65 -21.766   0.870 -15.498
  427   HG11  VAL  65          HG11      VAL  65 -22.543  -1.433 -15.899
  428   HG12  VAL  65          HG12      VAL  65 -24.093  -1.017 -15.169
  429   HG13  VAL  65          HG13      VAL  65 -22.622  -0.977 -14.198
  430   HG21  VAL  65          HG21      VAL  65 -23.067   1.941 -17.255
  431   HG22  VAL  65          HG22      VAL  65 -24.332   0.726 -17.074
  432   HG23  VAL  65          HG23      VAL  65 -22.735   0.258 -17.657
  433    H    GLU  66           HN       GLU  66 -25.232   2.927 -15.944
  434    HA   GLU  66           HA       GLU  66 -27.569   1.722 -14.703
  435    HB2  GLU  66           HB2      GLU  66 -27.385   3.925 -16.767
  436    HB3  GLU  66           HB1      GLU  66 -28.842   3.425 -15.920
  437    HG2  GLU  66           HG2      GLU  66 -26.394   4.672 -14.685
  438    HG3  GLU  66           HG1      GLU  66 -27.952   5.452 -14.953
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   1.209 -20.566 -11.209
    2    H2   GLY   1           HT2      GLY   1   0.308 -21.295  -9.980
    3    H3   GLY   1           HT3      GLY   1   0.995 -19.772  -9.733
    4    HA2  GLY   1           HA1      GLY   1  -1.124 -20.387 -11.712
    5    HA3  GLY   1           HA2      GLY   1  -1.394 -19.629 -10.148
    6    H    ALA   2           HN       ALA   2  -1.210 -18.953 -13.312
    7    HA   ALA   2           HA       ALA   2   0.479 -16.600 -13.187
    8    HB1  ALA   2           HB1      ALA   2  -0.007 -16.335 -15.543
    9    HB2  ALA   2           HB2      ALA   2  -1.252 -17.581 -15.450
   10    HB3  ALA   2           HB3      ALA   2   0.442 -18.006 -15.201
   11    H    MET   3           HN       MET   3  -2.476 -17.164 -12.051
   12    HA   MET   3           HA       MET   3  -3.396 -14.424 -12.621
   13    HB2  MET   3           HB2      MET   3  -4.867 -16.328 -13.450
   14    HB3  MET   3           HB1      MET   3  -5.137 -16.743 -11.765
   15    HG2  MET   3           HG2      MET   3  -6.102 -14.518 -11.388
   16    HG3  MET   3           HG1      MET   3  -5.873 -14.146 -13.095
   17    HE1  MET   3           HE1      MET   3  -8.414 -13.503 -13.315
   18    HE2  MET   3           HE2      MET   3  -8.709 -13.885 -11.619
   19    HE3  MET   3           HE3      MET   3  -9.749 -14.565 -12.870
   20    H    GLU   4           HN       GLU   4  -1.480 -15.381 -10.640
   21    HA   GLU   4           HA       GLU   4  -2.979 -14.924  -8.158
   22    HB2  GLU   4           HB2      GLU   4  -1.697 -17.057  -8.317
   23    HB3  GLU   4           HB1      GLU   4  -0.219 -16.114  -8.463
   24    HG2  GLU   4           HG2      GLU   4  -0.683 -16.995  -6.178
   25    HG3  GLU   4           HG1      GLU   4  -0.456 -15.248  -6.264
   26    H    GLY   5           HN       GLY   5  -2.991 -12.846  -7.716
   27    HA2  GLY   5           HA2      GLY   5  -0.383 -11.486  -7.522
   28    HA3  GLY   5           HA1      GLY   5  -1.770 -10.669  -8.232
   29    H    GLN   6           HN       GLN   6  -2.773 -12.742  -5.824
   30    HA   GLN   6           HA       GLN   6  -3.128 -10.495  -3.968
   31    HB2  GLN   6           HB2      GLN   6  -4.485 -13.199  -4.088
   32    HB3  GLN   6           HB1      GLN   6  -4.835 -11.950  -2.904
   33    HG2  GLN   6           HG2      GLN   6  -5.149 -11.541  -5.864
   34    HG3  GLN   6           HG1      GLN   6  -6.442 -12.136  -4.825
   35   HE21  GLN   6          HE21      GLN   6  -7.736 -10.367  -5.256
   36   HE22  GLN   6          HE22      GLN   6  -7.414  -8.797  -4.611
   37    H    GLN   7           HN       GLN   7  -2.258 -13.943  -3.985
   38    HA   GLN   7           HA       GLN   7  -1.047 -13.720  -1.357
   39    HB2  GLN   7           HB2      GLN   7  -1.136 -16.021  -3.315
   40    HB3  GLN   7           HB1      GLN   7  -0.467 -16.108  -1.693
   41    HG2  GLN   7           HG2      GLN   7  -2.657 -15.621  -0.751
   42    HG3  GLN   7           HG1      GLN   7  -3.335 -15.509  -2.375
   43   HE21  GLN   7          HE21      GLN   7  -0.890 -17.845  -1.548
   44   HE22  GLN   7          HE22      GLN   7  -1.913 -19.234  -1.619
   45    H    ASN   8           HN       ASN   8  -0.158 -13.385  -4.603
   46    HA   ASN   8           HA       ASN   8   2.649 -13.961  -4.191
   47    HB2  ASN   8           HB2      ASN   8   1.633 -14.543  -6.332
   48    HB3  ASN   8           HB1      ASN   8   1.168 -12.866  -6.591
   49   HD21  ASN   8          HD21      ASN   8   2.298 -12.688  -8.478
   50   HD22  ASN   8          HD22      ASN   8   4.026 -12.635  -8.535
   51    H    LEU   9           HN       LEU   9   4.125 -12.532  -3.618
   52    HA   LEU   9           HA       LEU   9   3.337  -9.825  -3.044
   53    HB2  LEU   9           HB2      LEU   9   6.040 -11.145  -2.789
   54    HB3  LEU   9           HB1      LEU   9   5.575  -9.605  -2.093
   55    HG   LEU   9           HG       LEU   9   4.454 -12.303  -1.332
   56   HD11  LEU   9          HD11      LEU   9   5.555 -11.867   0.815
   57   HD12  LEU   9          HD12      LEU   9   6.260 -10.396   0.145
   58   HD13  LEU   9          HD13      LEU   9   6.709 -11.969  -0.514
   59   HD21  LEU   9          HD21      LEU   9   3.845  -9.554  -0.255
   60   HD22  LEU   9          HD22      LEU   9   3.285 -11.074   0.445
   61   HD23  LEU   9          HD23      LEU   9   2.745 -10.592  -1.163
   62    H    ALA  10           HN       ALA  10   3.227  -8.410  -4.640
   63    HA   ALA  10           HA       ALA  10   4.662  -8.614  -7.076
   64    HB1  ALA  10           HB1      ALA  10   2.495  -7.476  -6.903
   65    HB2  ALA  10           HB2      ALA  10   3.733  -6.422  -7.586
   66    HB3  ALA  10           HB3      ALA  10   3.238  -6.226  -5.906
   67    HA   PRO  11           HA       PRO  11   8.594  -7.137  -5.588
   68    HB2  PRO  11           HB2      PRO  11   9.027  -6.534  -8.460
   69    HB3  PRO  11           HB1      PRO  11  10.001  -7.510  -7.355
   70    HG2  PRO  11           HG2      PRO  11   8.493  -8.659  -9.227
   71    HG3  PRO  11           HG1      PRO  11   8.658  -9.382  -7.616
   72    HD2  PRO  11           HD2      PRO  11   6.388  -7.813  -8.768
   73    HD3  PRO  11           HD1      PRO  11   6.355  -9.234  -7.705
   74    H    GLY  12           HN       GLY  12   8.319  -5.241  -4.529
   75    HA2  GLY  12           HA2      GLY  12   9.274  -2.905  -5.178
   76    HA3  GLY  12           HA1      GLY  12   7.778  -2.822  -6.098
   77    H    ALA  13           HN       ALA  13   8.947  -3.493  -2.798
   78    HA   ALA  13           HA       ALA  13   6.427  -2.595  -1.685
   79    HB1  ALA  13           HB1      ALA  13   8.967  -3.421  -0.282
   80    HB2  ALA  13           HB2      ALA  13   7.613  -4.485  -0.665
   81    HB3  ALA  13           HB3      ALA  13   7.396  -3.157   0.475
   82    H    ARG  14           HN       ARG  14   6.709  -0.496  -2.749
   83    HA   ARG  14           HA       ARG  14   7.800   1.439  -0.887
   84    HB2  ARG  14           HB2      ARG  14   8.727   1.213  -3.754
   85    HB3  ARG  14           HB1      ARG  14   8.846   2.711  -2.846
   86    HG2  ARG  14           HG2      ARG  14  10.291   1.600  -1.211
   87    HG3  ARG  14           HG1      ARG  14  10.179   0.104  -2.139
   88    HD2  ARG  14           HD2      ARG  14  11.290   2.717  -3.157
   89    HD3  ARG  14           HD1      ARG  14  12.252   1.346  -2.608
   90    HE   ARG  14           HE       ARG  14  10.918   0.138  -4.488
   91   HH11  ARG  14          HH11      ARG  14  12.216   3.396  -4.595
   92   HH12  ARG  14          HH12      ARG  14  12.407   3.390  -6.319
   93   HH21  ARG  14          HH21      ARG  14  11.174   0.136  -6.750
   94   HH22  ARG  14          HH22      ARG  14  11.813   1.543  -7.546
   95    H    CYS  15           HN       CYS  15   6.898   3.531  -1.206
   96    HA   CYS  15           HA       CYS  15   4.250   3.596  -2.167
   97    HB2  CYS  15           HB2      CYS  15   4.938   5.126  -0.443
   98    HB3  CYS  15           HB1      CYS  15   6.207   5.790  -1.465
   99    H    GLY  16           HN       GLY  16   3.735   3.386  -4.243
  100    HA2  GLY  16           HA2      GLY  16   5.448   3.659  -6.412
  101    HA3  GLY  16           HA1      GLY  16   3.697   3.645  -6.517
  102    H    VAL  17           HN       VAL  17   3.446   6.099  -4.890
  103    HA   VAL  17           HA       VAL  17   3.639   8.005  -7.000
  104    HB   VAL  17           HB       VAL  17   3.022   8.383  -4.063
  105   HG11  VAL  17          HG11      VAL  17   3.872  10.466  -5.014
  106   HG12  VAL  17          HG12      VAL  17   2.145  10.584  -4.674
  107   HG13  VAL  17          HG13      VAL  17   2.702  10.348  -6.330
  108   HG21  VAL  17          HG21      VAL  17   1.378   7.036  -5.234
  109   HG22  VAL  17          HG22      VAL  17   1.234   8.266  -6.488
  110   HG23  VAL  17          HG23      VAL  17   0.705   8.618  -4.842
  111    H    CYS  18           HN       CYS  18   5.643   7.208  -4.242
  112    HA   CYS  18           HA       CYS  18   7.260   9.612  -4.692
  113    HB2  CYS  18           HB2      CYS  18   7.144   7.696  -2.364
  114    HB3  CYS  18           HB1      CYS  18   8.313   9.006  -2.493
  115    H    GLY  19           HN       GLY  19   7.407   6.137  -4.898
  116    HA2  GLY  19           HA2      GLY  19   9.081   4.732  -5.650
  117    HA3  GLY  19           HA1      GLY  19  10.012   6.158  -6.106
  118    H    ASP  20           HN       ASP  20   8.699   5.536  -2.933
  119    HA   ASP  20           HA       ASP  20  11.334   5.036  -1.806
  120    HB2  ASP  20           HB2      ASP  20  11.349   7.435  -1.887
  121    HB3  ASP  20           HB1      ASP  20   9.701   7.526  -1.273
  122    H    GLY  21           HN       GLY  21  11.253   4.340   0.407
  123    HA2  GLY  21           HA2      GLY  21   8.543   3.602   1.320
  124    HA3  GLY  21           HA1      GLY  21   9.903   2.496   1.425
  125    H    THR  22           HN       THR  22  10.276   5.908   2.081
  126    HA   THR  22           HA       THR  22  11.156   5.350   4.772
  127    HB   THR  22           HB       THR  22  10.697   8.055   3.499
  128    HG1  THR  22           HG1      THR  22  12.135   7.131   2.139
  129   HG21  THR  22          HG21      THR  22  11.051   8.090   5.921
  130   HG22  THR  22          HG22      THR  22  12.422   8.799   5.069
  131   HG23  THR  22          HG23      THR  22  12.540   7.165   5.722
  132    H    ASP  23           HN       ASP  23   9.948   5.472   6.580
  133    HA   ASP  23           HA       ASP  23   8.094   5.558   7.898
  134    HB2  ASP  23           HB2      ASP  23   7.806   8.166   6.401
  135    HB3  ASP  23           HB1      ASP  23   6.727   7.700   7.710
  136    H    VAL  24           HN       VAL  24   7.766   3.825   5.962
  137    HA   VAL  24           HA       VAL  24   5.429   4.462   4.361
  138    HB   VAL  24           HB       VAL  24   7.601   3.184   3.622
  139   HG11  VAL  24          HG11      VAL  24   5.938   0.897   4.637
  140   HG12  VAL  24          HG12      VAL  24   7.483   1.426   5.299
  141   HG13  VAL  24          HG13      VAL  24   7.403   0.772   3.664
  142   HG21  VAL  24          HG21      VAL  24   4.858   2.322   2.766
  143   HG22  VAL  24          HG22      VAL  24   6.347   2.097   1.849
  144   HG23  VAL  24          HG23      VAL  24   5.748   3.723   2.172
  145    H    LEU  25           HN       LEU  25   3.516   3.230   4.392
  146    HA   LEU  25           HA       LEU  25   2.998   1.928   6.965
  147    HB2  LEU  25           HB2      LEU  25   1.116   3.020   4.874
  148    HB3  LEU  25           HB1      LEU  25   0.603   2.214   6.344
  149    HG   LEU  25           HG       LEU  25   2.190   4.781   6.262
  150   HD11  LEU  25          HD11      LEU  25  -0.019   5.157   5.387
  151   HD12  LEU  25          HD12      LEU  25   0.079   5.812   7.021
  152   HD13  LEU  25          HD13      LEU  25  -0.741   4.278   6.735
  153   HD21  LEU  25          HD21      LEU  25   2.587   3.470   8.277
  154   HD22  LEU  25          HD22      LEU  25   0.851   3.333   8.543
  155   HD23  LEU  25          HD23      LEU  25   1.636   4.908   8.642
  156    H    ARG  26           HN       ARG  26   1.849  -0.045   7.032
  157    HA   ARG  26           HA       ARG  26   2.331  -1.716   4.657
  158    HB2  ARG  26           HB2      ARG  26   3.519  -2.072   6.974
  159    HB3  ARG  26           HB1      ARG  26   1.991  -2.805   7.430
  160    HG2  ARG  26           HG2      ARG  26   3.483  -4.529   6.734
  161    HG3  ARG  26           HG1      ARG  26   2.225  -4.359   5.508
  162    HD2  ARG  26           HD2      ARG  26   4.515  -4.623   4.576
  163    HD3  ARG  26           HD1      ARG  26   3.706  -3.142   4.066
  164    HE   ARG  26           HE       ARG  26   5.081  -2.203   6.102
  165   HH11  ARG  26          HH11      ARG  26   6.125  -4.483   3.658
  166   HH12  ARG  26          HH12      ARG  26   7.791  -4.010   3.754
  167   HH21  ARG  26          HH21      ARG  26   7.258  -1.557   6.208
  168   HH22  ARG  26          HH22      ARG  26   8.440  -2.337   5.203
  169    H    CYS  27           HN       CYS  27   0.639  -2.796   3.773
  170    HA   CYS  27           HA       CYS  27  -2.023  -2.276   4.589
  171    HB2  CYS  27           HB2      CYS  27  -1.154  -2.952   2.257
  172    HB3  CYS  27           HB1      CYS  27  -1.199  -4.614   2.852
  173    H    THR  28           HN       THR  28  -3.508  -3.576   5.713
  174    HA   THR  28           HA       THR  28  -2.223  -5.483   7.504
  175    HB   THR  28           HB       THR  28  -4.411  -5.374   8.747
  176    HG1  THR  28           HG1      THR  28  -5.984  -4.527   7.615
  177   HG21  THR  28          HG21      THR  28  -3.990  -3.128   9.656
  178   HG22  THR  28          HG22      THR  28  -2.947  -2.774   8.280
  179   HG23  THR  28          HG23      THR  28  -2.493  -4.031   9.428
  180    H    HIS  29           HN       HIS  29  -4.460  -5.502   4.827
  181    HA   HIS  29           HA       HIS  29  -5.288  -8.214   5.504
  182    HB2  HIS  29           HB2      HIS  29  -7.174  -6.972   4.945
  183    HB3  HIS  29           HB1      HIS  29  -6.339  -6.078   3.683
  184    HD1  HIS  29           HD1      HIS  29  -8.288  -9.212   4.280
  185    HD2  HIS  29           HD2      HIS  29  -6.190  -7.332   1.238
  186    HE1  HIS  29           HE1      HIS  29  -8.963 -10.405   2.166
  187    HE2  HIS  29           HE2      HIS  29  -7.835  -9.115   0.312
  188    H    CYS  30           HN       CYS  30  -3.056  -6.541   3.579
  189    HA   CYS  30           HA       CYS  30  -2.103  -9.057   2.518
  190    HB2  CYS  30           HB2      CYS  30  -2.239  -8.598   0.262
  191    HB3  CYS  30           HB1      CYS  30  -3.700  -7.786   0.810
  192    H    ALA  31           HN       ALA  31  -0.017  -8.238   1.035
  193    HA   ALA  31           HA       ALA  31   1.497  -6.616   2.941
  194    HB1  ALA  31           HB1      ALA  31   2.461  -8.611   0.902
  195    HB2  ALA  31           HB2      ALA  31   2.361  -8.860   2.644
  196    HB3  ALA  31           HB3      ALA  31   3.496  -7.683   1.985
  197    H    ALA  32           HN       ALA  32   1.751  -4.587   2.363
  198    HA   ALA  32           HA       ALA  32   2.802  -3.878  -0.214
  199    HB1  ALA  32           HB1      ALA  32   1.027  -2.282  -0.808
  200    HB2  ALA  32           HB2      ALA  32   0.075  -2.830   0.570
  201    HB3  ALA  32           HB3      ALA  32   0.413  -3.936  -0.760
  202    H    ALA  33           HN       ALA  33   3.873  -1.940  -0.145
  203    HA   ALA  33           HA       ALA  33   3.835  -0.488   2.430
  204    HB1  ALA  33           HB1      ALA  33   5.924  -1.714   2.068
  205    HB2  ALA  33           HB2      ALA  33   6.185   0.030   2.052
  206    HB3  ALA  33           HB3      ALA  33   6.151  -0.871   0.537
  207    H    PHE  34           HN       PHE  34   2.974   1.471   2.240
  208    HA   PHE  34           HA       PHE  34   3.648   3.186   0.012
  209    HB2  PHE  34           HB2      PHE  34   1.355   3.562  -0.721
  210    HB3  PHE  34           HB1      PHE  34   1.755   1.856  -0.879
  211    HD1  PHE  34           HD2      PHE  34   0.937   0.259   0.891
  212    HD2  PHE  34           HD1      PHE  34  -0.475   4.260   0.569
  213    HE1  PHE  34           HE2      PHE  34  -1.040  -0.336   2.224
  214    HE2  PHE  34           HE1      PHE  34  -2.456   3.671   1.901
  215    HZ   PHE  34           HZ       PHE  34  -2.741   1.393   2.737
  216    H    HIS  35           HN       HIS  35   2.663   5.378   0.290
  217    HA   HIS  35           HA       HIS  35   2.249   6.012   3.123
  218    HB2  HIS  35           HB2      HIS  35   2.560   7.923   0.788
  219    HB3  HIS  35           HB1      HIS  35   2.544   8.362   2.495
  220    HD2  HIS  35           HD2      HIS  35   4.778   6.012   3.382
  221    HE1  HIS  35           HE1      HIS  35   7.242   8.201   0.715
  222    HE2  HIS  35           HE2      HIS  35   7.211   6.707   2.778
  223    H    TRP  36           HN       TRP  36   0.280   6.316   3.861
  224    HA   TRP  36           HA       TRP  36  -2.034   5.854   2.374
  225    HB2  TRP  36           HB2      TRP  36  -1.908   5.547   4.800
  226    HB3  TRP  36           HB1      TRP  36  -1.704   7.278   5.026
  227    HD1  TRP  36           HD1      TRP  36  -3.869   8.753   5.092
  228    HE1  TRP  36           HE1      TRP  36  -6.384   8.211   5.068
  229    HE3  TRP  36           HE3      TRP  36  -3.628   3.824   3.752
  230    HZ2  TRP  36           HZ2      TRP  36  -8.045   5.991   4.549
  231    HZ3  TRP  36           HZ3      TRP  36  -5.726   2.563   3.512
  232    HH2  TRP  36           HH2      TRP  36  -7.888   3.626   3.903
  233    H    ARG  37           HN       ARG  37  -0.320   8.788   3.099
  234    HA   ARG  37           HA       ARG  37  -2.435  10.565   2.350
  235    HB2  ARG  37           HB2      ARG  37   0.515  11.075   2.735
  236    HB3  ARG  37           HB1      ARG  37  -0.734  12.311   2.616
  237    HG2  ARG  37           HG2      ARG  37  -0.684  10.177   4.732
  238    HG3  ARG  37           HG1      ARG  37  -0.006  11.790   4.939
  239    HD2  ARG  37           HD2      ARG  37  -2.163  12.798   4.648
  240    HD3  ARG  37           HD1      ARG  37  -2.869  11.264   4.148
  241    HE   ARG  37           HE       ARG  37  -1.756  11.316   6.822
  242   HH11  ARG  37          HH11      ARG  37  -4.609  11.666   4.816
  243   HH12  ARG  37          HH12      ARG  37  -5.722  11.430   6.126
  244   HH21  ARG  37          HH21      ARG  37  -3.220  10.967   8.543
  245   HH22  ARG  37          HH22      ARG  37  -4.926  11.025   8.242
  246    H    CYS  38           HN       CYS  38  -0.007   8.861   0.643
  247    HA   CYS  38           HA       CYS  38  -0.125  10.613  -1.665
  248    HB2  CYS  38           HB2      CYS  38   1.266   7.952  -1.281
  249    HB3  CYS  38           HB1      CYS  38   1.451   9.012  -2.676
  250    H    HIS  39           HN       HIS  39  -1.657   7.809  -0.430
  251    HA   HIS  39           HA       HIS  39  -2.890   7.116  -2.978
  252    HB2  HIS  39           HB2      HIS  39  -2.941   5.940  -0.217
  253    HB3  HIS  39           HB1      HIS  39  -4.192   5.510  -1.373
  254    HD1  HIS  39           HD1      HIS  39  -3.580   3.164  -1.892
  255    HD2  HIS  39           HD2      HIS  39  -0.338   5.738  -2.223
  256    HE1  HIS  39           HE1      HIS  39  -1.691   1.757  -2.780
  257    HE2  HIS  39           HE2      HIS  39   0.168   3.399  -3.210
  258    H    PHE  40           HN       PHE  40  -3.913   8.174   0.251
  259    HA   PHE  40           HA       PHE  40  -6.408   9.200  -0.931
  260    HB2  PHE  40           HB2      PHE  40  -5.879   8.141   1.855
  261    HB3  PHE  40           HB1      PHE  40  -7.386   8.890   1.344
  262    HD1  PHE  40           HD2      PHE  40  -8.879   7.746  -0.216
  263    HD2  PHE  40           HD1      PHE  40  -5.314   5.911   1.208
  264    HE1  PHE  40           HE2      PHE  40  -9.701   5.560  -0.989
  265    HE2  PHE  40           HE1      PHE  40  -6.125   3.723   0.433
  266    HZ   PHE  40           HZ       PHE  40  -8.354   3.548  -0.639
  267    HA   PRO  41           HA       PRO  41  -5.009  13.179   0.342
  268    HB2  PRO  41           HB2      PRO  41  -7.330  14.541   0.303
  269    HB3  PRO  41           HB1      PRO  41  -6.553  13.965  -1.176
  270    HG2  PRO  41           HG2      PRO  41  -8.829  12.765   0.359
  271    HG3  PRO  41           HG1      PRO  41  -8.649  12.975  -1.393
  272    HD2  PRO  41           HD2      PRO  41  -8.169  10.616  -0.127
  273    HD3  PRO  41           HD1      PRO  41  -7.328  11.110  -1.610
  274    H    ALA  42           HN       ALA  42  -6.003  15.073   1.860
  275    HA   ALA  42           HA       ALA  42  -5.674  14.083   4.495
  276    HB1  ALA  42           HB1      ALA  42  -6.653  16.795   3.613
  277    HB2  ALA  42           HB2      ALA  42  -4.964  16.330   3.819
  278    HB3  ALA  42           HB3      ALA  42  -6.044  16.375   5.213
  279    H    GLY  43           HN       GLY  43  -8.455  14.729   2.522
  280    HA2  GLY  43           HA2      GLY  43 -10.418  14.911   4.540
  281    HA3  GLY  43           HA1      GLY  43 -10.703  14.430   2.875
  282    H    THR  44           HN       THR  44  -8.595  12.235   3.440
  283    HA   THR  44           HA       THR  44 -10.544  10.317   4.479
  284    HB   THR  44           HB       THR  44  -7.915   9.719   3.125
  285    HG1  THR  44           HG1      THR  44 -10.209  10.731   2.097
  286   HG21  THR  44          HG21      THR  44 -10.416   8.071   3.531
  287   HG22  THR  44          HG22      THR  44  -8.895   7.869   4.399
  288   HG23  THR  44          HG23      THR  44  -8.971   7.550   2.666
  289    H    SER  45           HN       SER  45 -10.272   9.346   6.402
  290    HA   SER  45           HA       SER  45  -7.940  10.068   7.979
  291    HB2  SER  45           HB2      SER  45 -10.266  10.223   8.916
  292    HB3  SER  45           HB1      SER  45 -10.363   8.466   8.827
  293    HG   SER  45           HG       SER  45  -8.471   9.977  10.325
  294    H    ARG  46           HN       ARG  46  -6.641   8.536   9.049
  295    HA   ARG  46           HA       ARG  46  -6.177   6.173   7.429
  296    HB2  ARG  46           HB2      ARG  46  -4.310   7.678   8.071
  297    HB3  ARG  46           HB1      ARG  46  -4.588   7.267   9.757
  298    HG2  ARG  46           HG2      ARG  46  -4.059   4.930   9.272
  299    HG3  ARG  46           HG1      ARG  46  -3.770   5.352   7.584
  300    HD2  ARG  46           HD2      ARG  46  -1.658   5.230   8.712
  301    HD3  ARG  46           HD1      ARG  46  -2.000   6.917   8.334
  302    HE   ARG  46           HE       ARG  46  -2.799   6.076  10.984
  303   HH11  ARG  46          HH11      ARG  46  -0.297   7.503   9.004
  304   HH12  ARG  46          HH12      ARG  46   0.543   8.212  10.344
  305   HH21  ARG  46          HH21      ARG  46  -1.715   7.013  12.752
  306   HH22  ARG  46          HH22      ARG  46  -0.266   7.930  12.484
  307    HA   PRO  47           HA       PRO  47  -8.337   3.651  10.471
  308    HB2  PRO  47           HB2      PRO  47  -7.456   1.407   8.811
  309    HB3  PRO  47           HB1      PRO  47  -9.096   1.962   9.155
  310    HG2  PRO  47           HG2      PRO  47  -7.957   2.226   6.721
  311    HG3  PRO  47           HG1      PRO  47  -9.130   3.391   7.358
  312    HD2  PRO  47           HD2      PRO  47  -6.147   3.588   7.220
  313    HD3  PRO  47           HD1      PRO  47  -7.380   4.830   6.906
  314    H    GLY  48           HN       GLY  48  -7.581   2.718  12.265
  315    HA2  GLY  48           HA2      GLY  48  -4.744   2.558  12.638
  316    HA3  GLY  48           HA1      GLY  48  -5.976   2.236  13.846
  317    H    THR  49           HN       THR  49  -7.372   0.169  12.553
  318    HA   THR  49           HA       THR  49  -5.318  -1.928  12.685
  319    HB   THR  49           HB       THR  49  -7.247  -3.434  13.356
  320    HG1  THR  49           HG1      THR  49  -9.173  -2.577  13.636
  321   HG21  THR  49          HG21      THR  49  -7.239  -2.657  15.695
  322   HG22  THR  49          HG22      THR  49  -6.527  -1.130  15.174
  323   HG23  THR  49          HG23      THR  49  -5.625  -2.633  14.988
  324    H    GLY  50           HN       GLY  50  -7.585  -0.468  10.636
  325    HA2  GLY  50           HA2      GLY  50  -7.568  -2.837   8.868
  326    HA3  GLY  50           HA1      GLY  50  -8.875  -1.664   8.915
  327    H    LEU  51           HN       LEU  51  -5.331  -1.556   8.548
  328    HA   LEU  51           HA       LEU  51  -5.502   0.711   6.792
  329    HB2  LEU  51           HB2      LEU  51  -3.619  -0.009   8.470
  330    HB3  LEU  51           HB1      LEU  51  -3.057  -0.996   7.139
  331    HG   LEU  51           HG       LEU  51  -1.859   1.160   7.337
  332   HD11  LEU  51          HD11      LEU  51  -1.969   0.043   5.181
  333   HD12  LEU  51          HD12      LEU  51  -1.991   1.796   4.988
  334   HD13  LEU  51          HD13      LEU  51  -3.484   0.871   4.822
  335   HD21  LEU  51          HD21      LEU  51  -3.767   2.490   8.154
  336   HD22  LEU  51          HD22      LEU  51  -4.486   2.403   6.545
  337   HD23  LEU  51          HD23      LEU  51  -2.951   3.236   6.780
  338    H    ARG  52           HN       ARG  52  -5.809   0.627   4.643
  339    HA   ARG  52           HA       ARG  52  -5.426  -1.976   3.322
  340    HB2  ARG  52           HB2      ARG  52  -7.688  -0.006   2.966
  341    HB3  ARG  52           HB1      ARG  52  -7.418  -1.395   1.924
  342    HG2  ARG  52           HG2      ARG  52  -7.741  -2.890   3.826
  343    HG3  ARG  52           HG1      ARG  52  -8.006  -1.496   4.876
  344    HD2  ARG  52           HD2      ARG  52  -9.960  -0.864   3.571
  345    HD3  ARG  52           HD1      ARG  52  -9.679  -2.211   2.470
  346    HE   ARG  52           HE       ARG  52  -9.878  -3.282   5.021
  347   HH11  ARG  52          HH11      ARG  52 -11.929  -1.514   2.795
  348   HH12  ARG  52          HH12      ARG  52 -13.394  -2.229   3.386
  349   HH21  ARG  52          HH21      ARG  52 -11.794  -4.226   5.788
  350   HH22  ARG  52          HH22      ARG  52 -13.319  -3.771   5.096
  351    H    CYS  53           HN       CYS  53  -4.237  -1.959   1.555
  352    HA   CYS  53           HA       CYS  53  -3.220   0.440   0.406
  353    HB2  CYS  53           HB2      CYS  53  -2.060  -0.979  -1.134
  354    HB3  CYS  53           HB1      CYS  53  -2.030  -1.789   0.428
  355    H    ARG  54           HN       ARG  54  -3.376   0.372  -2.249
  356    HA   ARG  54           HA       ARG  54  -5.909   1.455  -2.717
  357    HB2  ARG  54           HB2      ARG  54  -5.264   1.553  -5.082
  358    HB3  ARG  54           HB1      ARG  54  -3.978   2.115  -4.028
  359    HG2  ARG  54           HG2      ARG  54  -2.865  -0.067  -4.269
  360    HG3  ARG  54           HG1      ARG  54  -4.133  -0.564  -5.391
  361    HD2  ARG  54           HD2      ARG  54  -2.218   1.732  -5.742
  362    HD3  ARG  54           HD1      ARG  54  -2.193   0.205  -6.620
  363    HE   ARG  54           HE       ARG  54  -4.619   1.076  -7.240
  364   HH11  ARG  54          HH11      ARG  54  -1.587   2.822  -7.137
  365   HH12  ARG  54          HH12      ARG  54  -2.042   3.940  -8.385
  366   HH21  ARG  54          HH21      ARG  54  -5.216   2.543  -8.888
  367   HH22  ARG  54          HH22      ARG  54  -4.095   3.773  -9.387
  368    H    SER  55           HN       SER  55  -4.659  -1.767  -3.440
  369    HA   SER  55           HA       SER  55  -6.899  -2.597  -4.970
  370    HB2  SER  55           HB2      SER  55  -4.704  -3.681  -5.156
  371    HB3  SER  55           HB1      SER  55  -4.833  -4.241  -3.493
  372    HG   SER  55           HG       SER  55  -5.981  -5.231  -5.787
  373    H    CYS  56           HN       CYS  56  -5.981  -3.100  -1.566
  374    HA   CYS  56           HA       CYS  56  -8.274  -4.687  -0.980
  375    HB2  CYS  56           HB2      CYS  56  -6.369  -3.277   0.890
  376    HB3  CYS  56           HB1      CYS  56  -7.573  -4.468   1.374
  377    H    SER  57           HN       SER  57  -7.699  -1.287  -1.075
  378    HA   SER  57           HA       SER  57 -10.216  -0.778   0.349
  379    HB2  SER  57           HB2      SER  57  -8.054   0.490   0.919
  380    HB3  SER  57           HB1      SER  57  -8.261   1.309  -0.628
  381    HG   SER  57           HG       SER  57 -10.418   1.881   0.182
  382    H    GLY  58           HN       GLY  58  -9.631  -1.800  -2.490
  383    HA2  GLY  58           HA2      GLY  58 -10.602   0.251  -4.234
  384    HA3  GLY  58           HA1      GLY  58 -10.373  -1.443  -4.640
  385    H    ASP  59           HN       ASP  59 -12.611   0.942  -4.233
  386    HA   ASP  59           HA       ASP  59 -14.735  -0.764  -3.229
  387    HB2  ASP  59           HB2      ASP  59 -14.605   1.571  -2.454
  388    HB3  ASP  59           HB1      ASP  59 -14.789   2.132  -4.112
  389    H    VAL  60           HN       VAL  60 -16.077  -1.846  -4.484
  390    HA   VAL  60           HA       VAL  60 -15.948  -1.392  -7.375
  391    HB   VAL  60           HB       VAL  60 -15.413  -3.660  -6.611
  392   HG11  VAL  60          HG11      VAL  60 -18.225  -3.704  -5.531
  393   HG12  VAL  60          HG12      VAL  60 -16.733  -3.763  -4.592
  394   HG13  VAL  60          HG13      VAL  60 -17.158  -5.103  -5.656
  395   HG21  VAL  60          HG21      VAL  60 -16.952  -4.902  -8.070
  396   HG22  VAL  60          HG22      VAL  60 -16.391  -3.405  -8.812
  397   HG23  VAL  60          HG23      VAL  60 -18.014  -3.496  -8.128
  398    H    THR  61           HN       THR  61 -17.782  -1.075  -8.607
  399    HA   THR  61           HA       THR  61 -20.063   0.039  -7.231
  400    HB   THR  61           HB       THR  61 -19.651  -0.355 -10.201
  401    HG1  THR  61           HG1      THR  61 -19.314   2.178  -9.459
  402   HG21  THR  61          HG21      THR  61 -21.439   1.543  -8.674
  403   HG22  THR  61          HG22      THR  61 -21.974   0.091  -9.519
  404   HG23  THR  61          HG23      THR  61 -21.290   1.439 -10.428
  405    HA   PRO  62           HA       PRO  62 -22.115  -3.992  -7.425
  406    HB2  PRO  62           HB2      PRO  62 -24.248  -2.653  -5.941
  407    HB3  PRO  62           HB1      PRO  62 -23.227  -4.003  -5.444
  408    HG2  PRO  62           HG2      PRO  62 -23.017  -1.541  -4.348
  409    HG3  PRO  62           HG1      PRO  62 -21.626  -2.626  -4.531
  410    HD2  PRO  62           HD2      PRO  62 -22.442  -0.287  -6.216
  411    HD3  PRO  62           HD1      PRO  62 -20.825  -0.771  -5.663
  412    H    ALA  63           HN       ALA  63 -23.954  -4.776  -8.515
  413    HA   ALA  63           HA       ALA  63 -25.206  -2.825 -10.303
  414    HB1  ALA  63           HB1      ALA  63 -24.054  -4.746 -11.330
  415    HB2  ALA  63           HB2      ALA  63 -25.772  -4.700 -11.721
  416    HB3  ALA  63           HB3      ALA  63 -25.174  -5.834 -10.509
  417    HA   PRO  64           HA       PRO  64 -28.893  -3.127  -7.769
  418    HB2  PRO  64           HB2      PRO  64 -30.156  -1.759 -10.057
  419    HB3  PRO  64           HB1      PRO  64 -30.035  -1.249  -8.372
  420    HG2  PRO  64           HG2      PRO  64 -28.608  -0.060 -10.305
  421    HG3  PRO  64           HG1      PRO  64 -27.957  -0.291  -8.672
  422    HD2  PRO  64           HD2      PRO  64 -27.408  -1.844 -11.171
  423    HD3  PRO  64           HD1      PRO  64 -26.288  -1.334  -9.889
  424    H    VAL  65           HN       VAL  65 -30.023  -4.959  -7.671
  425    HA   VAL  65           HA       VAL  65 -30.826  -6.271 -10.170
  426    HB   VAL  65           HB       VAL  65 -31.230  -8.277  -8.808
  427   HG11  VAL  65          HG11      VAL  65 -28.521  -7.021  -8.411
  428   HG12  VAL  65          HG12      VAL  65 -29.051  -7.966  -9.801
  429   HG13  VAL  65          HG13      VAL  65 -28.884  -8.734  -8.223
  430   HG21  VAL  65          HG21      VAL  65 -31.855  -7.187  -6.706
  431   HG22  VAL  65          HG22      VAL  65 -30.194  -6.630  -6.501
  432   HG23  VAL  65          HG23      VAL  65 -30.556  -8.355  -6.464
  433    H    GLU  66           HN       GLU  66 -32.191  -3.950  -8.839
  434    HA   GLU  66           HA       GLU  66 -34.739  -5.094  -8.036
  435    HB2  GLU  66           HB2      GLU  66 -33.745  -2.244  -8.159
  436    HB3  GLU  66           HB1      GLU  66 -35.378  -2.689  -7.679
  437    HG2  GLU  66           HG2      GLU  66 -32.834  -3.491  -6.288
  438    HG3  GLU  66           HG1      GLU  66 -33.990  -2.278  -5.741
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  21.213   5.064  10.107
    2    H2   GLY   1           HT2      GLY   1  22.127   6.470   9.926
    3    H3   GLY   1           HT3      GLY   1  22.854   4.959   9.721
    4    HA2  GLY   1           HA1      GLY   1  20.766   6.145   7.987
    5    HA3  GLY   1           HA2      GLY   1  22.469   5.972   7.584
    6    H    ALA   2           HN       ALA   2  21.209   4.881   5.736
    7    HA   ALA   2           HA       ALA   2  20.730   3.002   4.560
    8    HB1  ALA   2           HB1      ALA   2  22.967   2.337   5.302
    9    HB2  ALA   2           HB2      ALA   2  21.891   0.948   5.148
   10    HB3  ALA   2           HB3      ALA   2  22.269   1.600   6.743
   11    H    MET   3           HN       MET   3  18.638   3.848   5.982
   12    HA   MET   3           HA       MET   3  17.431   2.003   7.729
   13    HB2  MET   3           HB2      MET   3  16.620   4.290   7.493
   14    HB3  MET   3           HB1      MET   3  16.176   3.985   5.822
   15    HG2  MET   3           HG2      MET   3  14.598   2.222   6.694
   16    HG3  MET   3           HG1      MET   3  14.915   2.863   8.304
   17    HE1  MET   3           HE1      MET   3  12.895   5.216   4.888
   18    HE2  MET   3           HE2      MET   3  13.386   3.527   4.778
   19    HE3  MET   3           HE3      MET   3  14.605   4.798   4.858
   20    H    GLU   4           HN       GLU   4  16.995   2.498   4.247
   21    HA   GLU   4           HA       GLU   4  15.514  -0.023   4.076
   22    HB2  GLU   4           HB2      GLU   4  14.675   2.219   3.127
   23    HB3  GLU   4           HB1      GLU   4  15.884   1.994   1.872
   24    HG2  GLU   4           HG2      GLU   4  14.811  -0.213   1.369
   25    HG3  GLU   4           HG1      GLU   4  13.515   0.252   2.473
   26    H    GLY   5           HN       GLY   5  18.603   0.970   3.908
   27    HA2  GLY   5           HA2      GLY   5  19.419  -0.534   1.562
   28    HA3  GLY   5           HA1      GLY   5  20.476   0.332   2.667
   29    H    GLN   6           HN       GLN   6  21.865  -1.015   3.571
   30    HA   GLN   6           HA       GLN   6  22.754  -2.769   4.706
   31    HB2  GLN   6           HB2      GLN   6  19.880  -3.408   5.397
   32    HB3  GLN   6           HB1      GLN   6  21.295  -4.107   6.172
   33    HG2  GLN   6           HG2      GLN   6  21.929  -1.954   7.049
   34    HG3  GLN   6           HG1      GLN   6  20.604  -1.179   6.184
   35   HE21  GLN   6          HE21      GLN   6  19.667  -0.376   8.040
   36   HE22  GLN   6          HE22      GLN   6  18.869  -1.386   9.199
   37    H    GLN   7           HN       GLN   7  21.736  -2.970   1.902
   38    HA   GLN   7           HA       GLN   7  21.719  -4.460   0.200
   39    HB2  GLN   7           HB2      GLN   7  23.767  -5.281   1.483
   40    HB3  GLN   7           HB1      GLN   7  22.730  -6.536   2.138
   41    HG2  GLN   7           HG2      GLN   7  22.272  -7.328  -0.139
   42    HG3  GLN   7           HG1      GLN   7  23.350  -6.087  -0.772
   43   HE21  GLN   7          HE21      GLN   7  23.972  -7.827   2.187
   44   HE22  GLN   7          HE22      GLN   7  25.318  -8.735   1.599
   45    H    ASN   8           HN       ASN   8  19.488  -4.243   2.214
   46    HA   ASN   8           HA       ASN   8  18.222  -6.849   2.054
   47    HB2  ASN   8           HB2      ASN   8  17.978  -5.499   4.104
   48    HB3  ASN   8           HB1      ASN   8  17.181  -4.235   3.173
   49   HD21  ASN   8          HD21      ASN   8  15.079  -4.553   2.455
   50   HD22  ASN   8          HD22      ASN   8  14.073  -5.818   3.074
   51    H    LEU   9           HN       LEU   9  17.595  -7.313   0.038
   52    HA   LEU   9           HA       LEU   9  16.589  -5.333  -1.761
   53    HB2  LEU   9           HB2      LEU   9  16.534  -8.344  -1.965
   54    HB3  LEU   9           HB1      LEU   9  16.180  -7.229  -3.270
   55    HG   LEU   9           HG       LEU   9  18.852  -7.550  -1.897
   56   HD11  LEU   9          HD11      LEU   9  17.904  -8.342  -4.645
   57   HD12  LEU   9          HD12      LEU   9  18.325  -9.433  -3.325
   58   HD13  LEU   9          HD13      LEU   9  19.569  -8.433  -4.075
   59   HD21  LEU   9          HD21      LEU   9  18.510  -5.250  -2.599
   60   HD22  LEU   9          HD22      LEU   9  18.028  -5.793  -4.207
   61   HD23  LEU   9          HD23      LEU   9  19.683  -6.042  -3.651
   62    H    ALA  10           HN       ALA  10  14.627  -4.499  -1.658
   63    HA   ALA  10           HA       ALA  10  12.512  -5.889  -0.236
   64    HB1  ALA  10           HB1      ALA  10  11.264  -3.801  -0.478
   65    HB2  ALA  10           HB2      ALA  10  12.541  -3.154  -1.506
   66    HB3  ALA  10           HB3      ALA  10  12.870  -3.511   0.189
   67    HA   PRO  11           HA       PRO  11  10.891  -7.500  -4.087
   68    HB2  PRO  11           HB2      PRO  11   8.801  -8.824  -3.011
   69    HB3  PRO  11           HB1      PRO  11  10.464  -9.408  -2.881
   70    HG2  PRO  11           HG2      PRO  11   8.818  -7.920  -0.872
   71    HG3  PRO  11           HG1      PRO  11   9.881  -9.318  -0.630
   72    HD2  PRO  11           HD2      PRO  11  10.626  -6.766  -0.064
   73    HD3  PRO  11           HD1      PRO  11  11.775  -8.021  -0.570
   74    H    GLY  12           HN       GLY  12  10.383  -4.924  -4.122
   75    HA2  GLY  12           HA2      GLY  12   8.845  -3.450  -5.015
   76    HA3  GLY  12           HA1      GLY  12   7.661  -4.748  -5.015
   77    H    ALA  13           HN       ALA  13   9.310  -4.030  -2.085
   78    HA   ALA  13           HA       ALA  13   6.807  -3.079  -0.928
   79    HB1  ALA  13           HB1      ALA  13   9.373  -3.879   0.444
   80    HB2  ALA  13           HB2      ALA  13   7.981  -4.931   0.183
   81    HB3  ALA  13           HB3      ALA  13   7.835  -3.518   1.229
   82    H    ARG  14           HN       ARG  14   7.039  -1.026  -2.073
   83    HA   ARG  14           HA       ARG  14   8.227   0.978  -0.393
   84    HB2  ARG  14           HB2      ARG  14  10.150   0.254  -1.809
   85    HB3  ARG  14           HB1      ARG  14   9.221   0.678  -3.237
   86    HG2  ARG  14           HG2      ARG  14   9.175   3.015  -2.511
   87    HG3  ARG  14           HG1      ARG  14  10.126   2.583  -1.088
   88    HD2  ARG  14           HD2      ARG  14  10.984   2.279  -3.964
   89    HD3  ARG  14           HD1      ARG  14  11.547   3.512  -2.837
   90    HE   ARG  14           HE       ARG  14  12.702   1.817  -1.612
   91   HH11  ARG  14          HH11      ARG  14  11.301   0.681  -4.622
   92   HH12  ARG  14          HH12      ARG  14  12.335  -0.708  -4.717
   93   HH21  ARG  14          HH21      ARG  14  14.061   0.015  -1.752
   94   HH22  ARG  14          HH22      ARG  14  13.921  -1.080  -3.096
   95    H    CYS  15           HN       CYS  15   7.236   2.974  -0.723
   96    HA   CYS  15           HA       CYS  15   4.747   2.944  -2.075
   97    HB2  CYS  15           HB2      CYS  15   5.119   4.293  -0.074
   98    HB3  CYS  15           HB1      CYS  15   6.338   5.239  -0.913
   99    H    GLY  16           HN       GLY  16   4.677   2.822  -4.222
  100    HA2  GLY  16           HA2      GLY  16   6.819   3.737  -5.874
  101    HA3  GLY  16           HA1      GLY  16   5.310   3.028  -6.424
  102    H    VAL  17           HN       VAL  17   3.921   5.207  -4.761
  103    HA   VAL  17           HA       VAL  17   3.374   6.932  -6.903
  104    HB   VAL  17           HB       VAL  17   2.898   7.430  -3.961
  105   HG11  VAL  17          HG11      VAL  17   2.712   9.486  -5.218
  106   HG12  VAL  17          HG12      VAL  17   1.103   8.937  -4.752
  107   HG13  VAL  17          HG13      VAL  17   1.671   8.702  -6.404
  108   HG21  VAL  17          HG21      VAL  17   1.874   5.360  -4.693
  109   HG22  VAL  17          HG22      VAL  17   1.121   6.187  -6.054
  110   HG23  VAL  17          HG23      VAL  17   0.638   6.580  -4.403
  111    H    CYS  18           HN       CYS  18   5.511   7.327  -4.098
  112    HA   CYS  18           HA       CYS  18   6.408   9.873  -5.258
  113    HB2  CYS  18           HB2      CYS  18   7.191  10.472  -3.018
  114    HB3  CYS  18           HB1      CYS  18   5.479  10.065  -2.997
  115    H    GLY  19           HN       GLY  19   7.421   6.708  -4.201
  116    HA2  GLY  19           HA2      GLY  19   9.344   5.670  -5.172
  117    HA3  GLY  19           HA1      GLY  19  10.083   7.258  -5.317
  118    H    ASP  20           HN       ASP  20   8.842   7.565  -2.433
  119    HA   ASP  20           HA       ASP  20  11.274   6.614  -1.113
  120    HB2  ASP  20           HB2      ASP  20   9.188   8.644  -0.314
  121    HB3  ASP  20           HB1      ASP  20  10.431   8.075   0.795
  122    H    GLY  21           HN       GLY  21  11.242   5.320   0.694
  123    HA2  GLY  21           HA2      GLY  21   8.653   4.011   1.257
  124    HA3  GLY  21           HA1      GLY  21  10.189   3.154   1.234
  125    H    THR  22           HN       THR  22  10.313   6.286   2.567
  126    HA   THR  22           HA       THR  22  10.814   5.224   5.194
  127    HB   THR  22           HB       THR  22  12.140   7.136   4.310
  128    HG1  THR  22           HG1      THR  22  11.710   8.487   6.301
  129   HG21  THR  22          HG21      THR  22   9.568   8.684   4.654
  130   HG22  THR  22          HG22      THR  22  10.368   8.333   3.120
  131   HG23  THR  22          HG23      THR  22  11.149   9.385   4.301
  132    H    ASP  23           HN       ASP  23   9.489   5.278   6.928
  133    HA   ASP  23           HA       ASP  23   7.533   5.285   8.081
  134    HB2  ASP  23           HB2      ASP  23   8.092   7.747   8.049
  135    HB3  ASP  23           HB1      ASP  23   7.008   7.916   6.672
  136    H    VAL  24           HN       VAL  24   7.427   3.663   6.023
  137    HA   VAL  24           HA       VAL  24   5.217   4.332   4.264
  138    HB   VAL  24           HB       VAL  24   7.395   3.165   3.554
  139   HG11  VAL  24          HG11      VAL  24   7.398   0.727   3.662
  140   HG12  VAL  24          HG12      VAL  24   5.968   0.781   4.694
  141   HG13  VAL  24          HG13      VAL  24   7.492   1.464   5.262
  142   HG21  VAL  24          HG21      VAL  24   4.770   1.974   2.724
  143   HG22  VAL  24          HG22      VAL  24   6.279   1.914   1.812
  144   HG23  VAL  24          HG23      VAL  24   5.482   3.460   2.098
  145    H    LEU  25           HN       LEU  25   3.291   3.168   4.140
  146    HA   LEU  25           HA       LEU  25   2.534   1.867   6.631
  147    HB2  LEU  25           HB2      LEU  25   0.944   2.859   4.273
  148    HB3  LEU  25           HB1      LEU  25   0.227   1.962   5.599
  149    HG   LEU  25           HG       LEU  25   1.653   4.606   5.881
  150   HD11  LEU  25          HD11      LEU  25  -0.431   4.796   4.616
  151   HD12  LEU  25          HD12      LEU  25  -0.560   5.546   6.206
  152   HD13  LEU  25          HD13      LEU  25  -1.289   3.968   5.914
  153   HD21  LEU  25          HD21      LEU  25   0.675   4.598   8.129
  154   HD22  LEU  25          HD22      LEU  25   1.772   3.240   7.892
  155   HD23  LEU  25          HD23      LEU  25   0.028   2.984   7.837
  156    H    ARG  26           HN       ARG  26   1.361  -0.110   6.631
  157    HA   ARG  26           HA       ARG  26   2.140  -1.894   4.421
  158    HB2  ARG  26           HB2      ARG  26   3.368  -2.029   6.732
  159    HB3  ARG  26           HB1      ARG  26   1.892  -2.822   7.265
  160    HG2  ARG  26           HG2      ARG  26   3.405  -4.529   6.668
  161    HG3  ARG  26           HG1      ARG  26   2.209  -4.443   5.371
  162    HD2  ARG  26           HD2      ARG  26   4.472  -4.664   4.479
  163    HD3  ARG  26           HD1      ARG  26   3.752  -3.124   4.020
  164    HE   ARG  26           HE       ARG  26   5.141  -2.570   6.304
  165   HH11  ARG  26          HH11      ARG  26   5.971  -4.006   3.224
  166   HH12  ARG  26          HH12      ARG  26   7.607  -3.426   3.254
  167   HH21  ARG  26          HH21      ARG  26   7.292  -1.806   6.344
  168   HH22  ARG  26          HH22      ARG  26   8.357  -2.174   5.024
  169    H    CYS  27           HN       CYS  27   0.495  -3.048   3.558
  170    HA   CYS  27           HA       CYS  27  -2.162  -2.663   4.481
  171    HB2  CYS  27           HB2      CYS  27  -1.479  -3.174   2.083
  172    HB3  CYS  27           HB1      CYS  27  -1.273  -4.856   2.582
  173    H    THR  28           HN       THR  28  -3.418  -3.881   5.773
  174    HA   THR  28           HA       THR  28  -2.131  -6.001   7.276
  175    HB   THR  28           HB       THR  28  -4.316  -5.971   8.567
  176    HG1  THR  28           HG1      THR  28  -4.805  -3.508   7.251
  177   HG21  THR  28          HG21      THR  28  -2.795  -3.370   8.346
  178   HG22  THR  28          HG22      THR  28  -2.326  -4.757   9.329
  179   HG23  THR  28          HG23      THR  28  -3.799  -3.866   9.707
  180    H    HIS  29           HN       HIS  29  -4.258  -5.693   4.623
  181    HA   HIS  29           HA       HIS  29  -5.399  -8.354   4.991
  182    HB2  HIS  29           HB2      HIS  29  -5.958  -6.142   3.022
  183    HB3  HIS  29           HB1      HIS  29  -6.627  -7.757   2.826
  184    HD1  HIS  29           HD1      HIS  29  -9.015  -7.598   3.449
  185    HD2  HIS  29           HD2      HIS  29  -6.591  -5.468   6.070
  186    HE1  HIS  29           HE1      HIS  29 -10.555  -6.699   5.218
  187    HE2  HIS  29           HE2      HIS  29  -9.091  -5.293   6.706
  188    H    CYS  30           HN       CYS  30  -2.934  -6.742   3.180
  189    HA   CYS  30           HA       CYS  30  -2.075  -9.287   2.115
  190    HB2  CYS  30           HB2      CYS  30  -2.115  -8.754  -0.171
  191    HB3  CYS  30           HB1      CYS  30  -3.673  -8.185   0.411
  192    H    ALA  31           HN       ALA  31  -0.124  -8.265   0.363
  193    HA   ALA  31           HA       ALA  31   1.628  -6.905   2.276
  194    HB1  ALA  31           HB1      ALA  31   3.492  -7.801   0.975
  195    HB2  ALA  31           HB2      ALA  31   2.358  -8.526  -0.164
  196    HB3  ALA  31           HB3      ALA  31   2.414  -9.093   1.504
  197    H    ALA  32           HN       ALA  32   1.843  -4.796   1.946
  198    HA   ALA  32           HA       ALA  32   2.453  -3.738  -0.650
  199    HB1  ALA  32           HB1      ALA  32   0.008  -3.833  -0.814
  200    HB2  ALA  32           HB2      ALA  32   0.583  -2.164  -0.787
  201    HB3  ALA  32           HB3      ALA  32  -0.128  -2.877   0.660
  202    H    ALA  33           HN       ALA  33   3.592  -1.901  -0.500
  203    HA   ALA  33           HA       ALA  33   3.729  -0.544   2.120
  204    HB1  ALA  33           HB1      ALA  33   5.767  -1.839   1.674
  205    HB2  ALA  33           HB2      ALA  33   6.082  -0.106   1.698
  206    HB3  ALA  33           HB3      ALA  33   5.986  -0.962   0.161
  207    H    PHE  34           HN       PHE  34   2.826   1.376   1.944
  208    HA   PHE  34           HA       PHE  34   3.461   3.131  -0.266
  209    HB2  PHE  34           HB2      PHE  34   1.131   3.481  -0.943
  210    HB3  PHE  34           HB1      PHE  34   1.596   1.799  -1.179
  211    HD1  PHE  34           HD2      PHE  34   0.797   0.067   0.418
  212    HD2  PHE  34           HD1      PHE  34  -0.620   4.080   0.529
  213    HE1  PHE  34           HE2      PHE  34  -1.125  -0.649   1.771
  214    HE2  PHE  34           HE1      PHE  34  -2.541   3.367   1.885
  215    HZ   PHE  34           HZ       PHE  34  -2.795   1.000   2.505
  216    H    HIS  35           HN       HIS  35   2.335   5.285   0.059
  217    HA   HIS  35           HA       HIS  35   1.957   5.794   2.930
  218    HB2  HIS  35           HB2      HIS  35   2.566   7.723   0.677
  219    HB3  HIS  35           HB1      HIS  35   2.287   8.194   2.348
  220    HD2  HIS  35           HD2      HIS  35   4.251   5.987   3.772
  221    HE1  HIS  35           HE1      HIS  35   7.184   7.790   1.311
  222    HE2  HIS  35           HE2      HIS  35   6.766   6.579   3.506
  223    H    TRP  36           HN       TRP  36   0.055   6.426   3.677
  224    HA   TRP  36           HA       TRP  36  -2.316   6.249   2.188
  225    HB2  TRP  36           HB2      TRP  36  -2.117   6.039   4.672
  226    HB3  TRP  36           HB1      TRP  36  -1.863   7.776   4.762
  227    HD1  TRP  36           HD1      TRP  36  -3.982   9.339   4.485
  228    HE1  TRP  36           HE1      TRP  36  -6.506   8.866   4.551
  229    HE3  TRP  36           HE3      TRP  36  -3.861   4.254   4.009
  230    HZ2  TRP  36           HZ2      TRP  36  -8.225   6.627   4.418
  231    HZ3  TRP  36           HZ3      TRP  36  -5.988   3.019   3.992
  232    HH2  TRP  36           HH2      TRP  36  -8.124   4.183   4.192
  233    H    ARG  37           HN       ARG  37  -0.253   8.954   3.022
  234    HA   ARG  37           HA       ARG  37  -1.960  11.008   2.069
  235    HB2  ARG  37           HB2      ARG  37   1.042  10.961   2.419
  236    HB3  ARG  37           HB1      ARG  37   0.081  12.407   2.142
  237    HG2  ARG  37           HG2      ARG  37  -1.034  12.148   4.240
  238    HG3  ARG  37           HG1      ARG  37  -0.290  10.571   4.495
  239    HD2  ARG  37           HD2      ARG  37   0.810  12.310   5.811
  240    HD3  ARG  37           HD1      ARG  37   1.902  11.604   4.623
  241    HE   ARG  37           HE       ARG  37   0.634  13.938   3.606
  242   HH11  ARG  37          HH11      ARG  37   3.205  12.845   5.710
  243   HH12  ARG  37          HH12      ARG  37   4.128  14.307   5.558
  244   HH21  ARG  37          HH21      ARG  37   1.852  15.852   3.374
  245   HH22  ARG  37          HH22      ARG  37   3.350  16.027   4.229
  246    H    CYS  38           HN       CYS  38   0.501   9.011   0.561
  247    HA   CYS  38           HA       CYS  38   0.488  10.436  -1.920
  248    HB2  CYS  38           HB2      CYS  38   1.557   7.724  -1.134
  249    HB3  CYS  38           HB1      CYS  38   1.689   8.366  -2.763
  250    H    HIS  39           HN       HIS  39  -1.485   8.011  -0.488
  251    HA   HIS  39           HA       HIS  39  -2.573   7.136  -3.042
  252    HB2  HIS  39           HB2      HIS  39  -2.744   6.177  -0.242
  253    HB3  HIS  39           HB1      HIS  39  -4.144   5.878  -1.265
  254    HD1  HIS  39           HD1      HIS  39  -3.924   3.434  -1.686
  255    HD2  HIS  39           HD2      HIS  39  -0.393   5.497  -2.436
  256    HE1  HIS  39           HE1      HIS  39  -2.338   1.737  -2.662
  257    HE2  HIS  39           HE2      HIS  39  -0.296   3.062  -3.304
  258    H    PHE  40           HN       PHE  40  -3.591   8.932  -0.175
  259    HA   PHE  40           HA       PHE  40  -6.047   9.687  -1.622
  260    HB2  PHE  40           HB2      PHE  40  -5.648   9.253   1.344
  261    HB3  PHE  40           HB1      PHE  40  -7.110   9.919   0.624
  262    HD1  PHE  40           HD2      PHE  40  -8.566   8.499  -0.755
  263    HD2  PHE  40           HD1      PHE  40  -5.174   6.923   1.272
  264    HE1  PHE  40           HE2      PHE  40  -9.441   6.220  -1.070
  265    HE2  PHE  40           HE1      PHE  40  -6.042   4.642   0.962
  266    HZ   PHE  40           HZ       PHE  40  -8.207   4.294  -0.167
  267    HA   PRO  41           HA       PRO  41  -3.642  13.554  -0.724
  268    HB2  PRO  41           HB2      PRO  41  -4.343  14.319  -3.447
  269    HB3  PRO  41           HB1      PRO  41  -2.745  14.115  -2.729
  270    HG2  PRO  41           HG2      PRO  41  -3.721  12.429  -4.606
  271    HG3  PRO  41           HG1      PRO  41  -2.608  11.903  -3.333
  272    HD2  PRO  41           HD2      PRO  41  -5.589  11.610  -3.477
  273    HD3  PRO  41           HD1      PRO  41  -4.365  10.422  -2.974
  274    H    ALA  42           HN       ALA  42  -6.764  12.697  -1.168
  275    HA   ALA  42           HA       ALA  42  -7.927  15.318  -1.507
  276    HB1  ALA  42           HB1      ALA  42 -10.066  14.168  -1.206
  277    HB2  ALA  42           HB2      ALA  42  -9.211  12.686  -0.779
  278    HB3  ALA  42           HB3      ALA  42  -9.060  13.353  -2.405
  279    H    GLY  43           HN       GLY  43  -6.499  13.711   1.033
  280    HA2  GLY  43           HA2      GLY  43  -6.239  14.664   3.177
  281    HA3  GLY  43           HA1      GLY  43  -7.732  15.559   2.935
  282    H    THR  44           HN       THR  44  -7.544  12.171   2.230
  283    HA   THR  44           HA       THR  44  -9.644  11.514   4.022
  284    HB   THR  44           HB       THR  44  -7.717   9.597   2.691
  285    HG1  THR  44           HG1      THR  44 -10.052  10.883   1.669
  286   HG21  THR  44          HG21      THR  44  -9.626   8.061   2.729
  287   HG22  THR  44          HG22      THR  44 -10.605   9.291   3.529
  288   HG23  THR  44          HG23      THR  44  -9.213   8.595   4.358
  289    H    SER  45           HN       SER  45  -9.545  10.355   5.977
  290    HA   SER  45           HA       SER  45  -7.084  10.843   7.429
  291    HB2  SER  45           HB2      SER  45  -9.257  11.538   8.392
  292    HB3  SER  45           HB1      SER  45  -9.757   9.850   8.439
  293    HG   SER  45           HG       SER  45  -7.595  11.041   9.847
  294    H    ARG  46           HN       ARG  46  -5.928   9.310   8.540
  295    HA   ARG  46           HA       ARG  46  -5.972   6.701   7.249
  296    HB2  ARG  46           HB2      ARG  46  -3.880   7.910   7.212
  297    HB3  ARG  46           HB1      ARG  46  -3.916   8.103   8.957
  298    HG2  ARG  46           HG2      ARG  46  -3.685   5.679   9.221
  299    HG3  ARG  46           HG1      ARG  46  -3.618   5.507   7.467
  300    HD2  ARG  46           HD2      ARG  46  -1.382   5.476   8.438
  301    HD3  ARG  46           HD1      ARG  46  -1.607   6.881   7.397
  302    HE   ARG  46           HE       ARG  46  -2.231   7.721   9.951
  303   HH11  ARG  46          HH11      ARG  46   0.561   6.378   8.329
  304   HH12  ARG  46          HH12      ARG  46   1.704   7.199   9.336
  305   HH21  ARG  46          HH21      ARG  46  -0.729   8.814  11.281
  306   HH22  ARG  46          HH22      ARG  46   0.973   8.586  11.019
  307    HA   PRO  47           HA       PRO  47  -7.703   4.947  11.040
  308    HB2  PRO  47           HB2      PRO  47  -7.507   2.425   9.563
  309    HB3  PRO  47           HB1      PRO  47  -8.940   3.235  10.203
  310    HG2  PRO  47           HG2      PRO  47  -8.435   3.072   7.556
  311    HG3  PRO  47           HG1      PRO  47  -9.268   4.458   8.281
  312    HD2  PRO  47           HD2      PRO  47  -6.414   4.199   7.417
  313    HD3  PRO  47           HD1      PRO  47  -7.533   5.566   7.224
  314    H    GLY  48           HN       GLY  48  -6.580   4.196  12.740
  315    HA2  GLY  48           HA2      GLY  48  -3.868   3.208  12.260
  316    HA3  GLY  48           HA1      GLY  48  -4.507   3.785  13.793
  317    H    THR  49           HN       THR  49  -6.743   1.753  12.413
  318    HA   THR  49           HA       THR  49  -6.024  -0.369  14.250
  319    HB   THR  49           HB       THR  49  -8.262  -1.333  13.482
  320    HG1  THR  49           HG1      THR  49  -9.351  -0.261  12.015
  321   HG21  THR  49          HG21      THR  49  -8.236   1.387  14.796
  322   HG22  THR  49          HG22      THR  49  -7.981  -0.155  15.611
  323   HG23  THR  49          HG23      THR  49  -9.546   0.211  14.886
  324    H    GLY  50           HN       GLY  50  -7.443  -0.574  11.048
  325    HA2  GLY  50           HA2      GLY  50  -5.349  -2.514  10.304
  326    HA3  GLY  50           HA1      GLY  50  -7.047  -2.800   9.944
  327    H    LEU  51           HN       LEU  51  -4.154  -1.313   8.946
  328    HA   LEU  51           HA       LEU  51  -5.270   0.587   7.136
  329    HB2  LEU  51           HB2      LEU  51  -2.857   0.308   8.237
  330    HB3  LEU  51           HB1      LEU  51  -2.538  -0.535   6.738
  331    HG   LEU  51           HG       LEU  51  -1.824   1.808   6.656
  332   HD11  LEU  51          HD11      LEU  51  -2.500   0.699   4.596
  333   HD12  LEU  51          HD12      LEU  51  -2.868   2.423   4.560
  334   HD13  LEU  51          HD13      LEU  51  -4.157   1.251   4.842
  335   HD21  LEU  51          HD21      LEU  51  -4.744   2.476   6.966
  336   HD22  LEU  51          HD22      LEU  51  -3.431   3.615   6.673
  337   HD23  LEU  51          HD23      LEU  51  -3.502   2.722   8.193
  338    H    ARG  52           HN       ARG  52  -6.027   0.279   5.141
  339    HA   ARG  52           HA       ARG  52  -5.505  -2.307   3.824
  340    HB2  ARG  52           HB2      ARG  52  -7.882  -0.453   3.569
  341    HB3  ARG  52           HB1      ARG  52  -7.641  -1.905   2.609
  342    HG2  ARG  52           HG2      ARG  52  -7.833  -3.295   4.548
  343    HG3  ARG  52           HG1      ARG  52  -7.870  -1.884   5.609
  344    HD2  ARG  52           HD2      ARG  52  -9.931  -2.595   3.522
  345    HD3  ARG  52           HD1      ARG  52 -10.114  -2.783   5.267
  346    HE   ARG  52           HE       ARG  52  -9.549  -0.165   5.026
  347   HH11  ARG  52          HH11      ARG  52 -11.900  -2.219   3.437
  348   HH12  ARG  52          HH12      ARG  52 -13.027  -0.927   3.163
  349   HH21  ARG  52          HH21      ARG  52 -11.027   1.533   4.675
  350   HH22  ARG  52          HH22      ARG  52 -12.524   1.209   3.860
  351    H    CYS  53           HN       CYS  53  -4.572  -2.282   1.853
  352    HA   CYS  53           HA       CYS  53  -3.691   0.177   0.695
  353    HB2  CYS  53           HB2      CYS  53  -2.610  -1.149  -0.945
  354    HB3  CYS  53           HB1      CYS  53  -2.509  -2.080   0.543
  355    H    ARG  54           HN       ARG  54  -4.116   0.300  -1.900
  356    HA   ARG  54           HA       ARG  54  -6.754   1.217  -2.047
  357    HB2  ARG  54           HB2      ARG  54  -6.380   1.532  -4.449
  358    HB3  ARG  54           HB1      ARG  54  -5.040   2.139  -3.492
  359    HG2  ARG  54           HG2      ARG  54  -3.609   0.463  -4.202
  360    HG3  ARG  54           HG1      ARG  54  -4.931  -0.603  -4.680
  361    HD2  ARG  54           HD2      ARG  54  -4.252   2.001  -6.035
  362    HD3  ARG  54           HD1      ARG  54  -3.734   0.414  -6.601
  363    HE   ARG  54           HE       ARG  54  -6.068  -0.135  -6.957
  364   HH11  ARG  54          HH11      ARG  54  -5.322   3.263  -6.511
  365   HH12  ARG  54          HH12      ARG  54  -6.780   3.806  -7.271
  366   HH21  ARG  54          HH21      ARG  54  -7.983   0.584  -7.951
  367   HH22  ARG  54          HH22      ARG  54  -8.306   2.286  -8.072
  368    H    SER  55           HN       SER  55  -5.330  -1.803  -3.234
  369    HA   SER  55           HA       SER  55  -7.613  -2.660  -4.643
  370    HB2  SER  55           HB2      SER  55  -5.408  -4.346  -3.453
  371    HB3  SER  55           HB1      SER  55  -6.510  -4.828  -4.741
  372    HG   SER  55           HG       SER  55  -4.232  -3.830  -5.157
  373    H    CYS  56           HN       CYS  56  -6.450  -3.418  -1.357
  374    HA   CYS  56           HA       CYS  56  -8.646  -5.146  -0.787
  375    HB2  CYS  56           HB2      CYS  56  -6.710  -3.793   1.097
  376    HB3  CYS  56           HB1      CYS  56  -7.845  -5.059   1.550
  377    H    SER  57           HN       SER  57  -8.208  -1.712  -0.634
  378    HA   SER  57           HA       SER  57 -10.422  -1.288   1.173
  379    HB2  SER  57           HB2      SER  57  -8.517   0.307   1.053
  380    HB3  SER  57           HB1      SER  57  -8.982   0.710  -0.598
  381    HG   SER  57           HG       SER  57 -11.136   0.948   0.958
  382    H    GLY  58           HN       GLY  58 -10.034  -1.968  -2.106
  383    HA2  GLY  58           HA2      GLY  58 -12.873  -1.371  -2.562
  384    HA3  GLY  58           HA1      GLY  58 -11.676  -0.856  -3.745
  385    H    ASP  59           HN       ASP  59 -12.059  -3.830  -1.849
  386    HA   ASP  59           HA       ASP  59 -11.742  -5.337  -4.349
  387    HB2  ASP  59           HB2      ASP  59 -10.023  -5.809  -2.664
  388    HB3  ASP  59           HB1      ASP  59 -11.272  -6.232  -1.497
  389    H    VAL  60           HN       VAL  60 -13.476  -6.251  -5.155
  390    HA   VAL  60           HA       VAL  60 -15.603  -7.080  -3.303
  391    HB   VAL  60           HB       VAL  60 -16.423  -5.222  -4.601
  392   HG11  VAL  60          HG11      VAL  60 -15.673  -6.784  -7.067
  393   HG12  VAL  60          HG12      VAL  60 -14.855  -5.341  -6.471
  394   HG13  VAL  60          HG13      VAL  60 -16.523  -5.239  -7.034
  395   HG21  VAL  60          HG21      VAL  60 -18.003  -7.022  -4.156
  396   HG22  VAL  60          HG22      VAL  60 -17.543  -7.813  -5.663
  397   HG23  VAL  60          HG23      VAL  60 -18.354  -6.247  -5.701
  398    H    THR  61           HN       THR  61 -16.139  -9.144  -3.338
  399    HA   THR  61           HA       THR  61 -14.819 -10.940  -5.171
  400    HB   THR  61           HB       THR  61 -14.968 -11.596  -2.831
  401    HG1  THR  61           HG1      THR  61 -16.239 -13.649  -3.220
  402   HG21  THR  61          HG21      THR  61 -17.964 -11.546  -3.210
  403   HG22  THR  61          HG22      THR  61 -17.022 -10.443  -2.208
  404   HG23  THR  61          HG23      THR  61 -17.119 -12.151  -1.784
  405    HA   PRO  62           HA       PRO  62 -18.006 -11.007  -8.252
  406    HB2  PRO  62           HB2      PRO  62 -17.242 -13.873  -8.486
  407    HB3  PRO  62           HB1      PRO  62 -17.351 -12.631  -9.738
  408    HG2  PRO  62           HG2      PRO  62 -14.985 -13.443  -8.827
  409    HG3  PRO  62           HG1      PRO  62 -15.279 -11.738  -9.221
  410    HD2  PRO  62           HD2      PRO  62 -15.119 -13.067  -6.553
  411    HD3  PRO  62           HD1      PRO  62 -14.584 -11.447  -7.046
  412    H    ALA  63           HN       ALA  63 -20.129 -11.363  -8.153
  413    HA   ALA  63           HA       ALA  63 -21.150 -13.088  -6.039
  414    HB1  ALA  63           HB1      ALA  63 -23.269 -11.952  -6.383
  415    HB2  ALA  63           HB2      ALA  63 -22.615 -11.122  -7.795
  416    HB3  ALA  63           HB3      ALA  63 -21.971 -10.774  -6.193
  417    HA   PRO  64           HA       PRO  64 -22.181 -16.169  -9.118
  418    HB2  PRO  64           HB2      PRO  64 -23.342 -17.927  -7.426
  419    HB3  PRO  64           HB1      PRO  64 -21.590 -17.726  -7.523
  420    HG2  PRO  64           HG2      PRO  64 -23.517 -16.622  -5.525
  421    HG3  PRO  64           HG1      PRO  64 -21.906 -17.311  -5.262
  422    HD2  PRO  64           HD2      PRO  64 -22.404 -14.631  -5.330
  423    HD3  PRO  64           HD1      PRO  64 -20.846 -15.346  -5.791
  424    H    VAL  65           HN       VAL  65 -23.754 -14.220  -9.622
  425    HA   VAL  65           HA       VAL  65 -26.478 -14.717  -8.741
  426    HB   VAL  65           HB       VAL  65 -25.435 -12.613 -10.646
  427   HG11  VAL  65          HG11      VAL  65 -27.797 -13.065 -10.983
  428   HG12  VAL  65          HG12      VAL  65 -27.578 -11.491 -10.218
  429   HG13  VAL  65          HG13      VAL  65 -28.099 -12.874  -9.256
  430   HG21  VAL  65          HG21      VAL  65 -26.099 -12.420  -7.711
  431   HG22  VAL  65          HG22      VAL  65 -25.655 -11.070  -8.755
  432   HG23  VAL  65          HG23      VAL  65 -24.487 -12.348  -8.421
  433    H    GLU  66           HN       GLU  66 -27.907 -15.842  -9.835
  434    HA   GLU  66           HA       GLU  66 -27.412 -16.407 -12.677
  435    HB2  GLU  66           HB2      GLU  66 -26.826 -18.381 -11.356
  436    HB3  GLU  66           HB1      GLU  66 -28.391 -18.336 -10.560
  437    HG2  GLU  66           HG2      GLU  66 -29.501 -18.835 -12.654
  438    HG3  GLU  66           HG1      GLU  66 -27.954 -18.804 -13.501
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1  20.724   1.965   3.590
    2    H2   GLY   1           HT2      GLY   1  19.194   2.544   3.151
    3    H3   GLY   1           HT3      GLY   1  20.585   3.300   2.562
    4    HA2  GLY   1           HA1      GLY   1  19.746   0.529   1.935
    5    HA3  GLY   1           HA2      GLY   1  19.551   1.910   0.866
    6    H    ALA   2           HN       ALA   2  20.845   0.082  -0.343
    7    HA   ALA   2           HA       ALA   2  22.731  -0.418  -1.492
    8    HB1  ALA   2           HB1      ALA   2  23.842   2.094  -0.249
    9    HB2  ALA   2           HB2      ALA   2  22.942   2.000  -1.763
   10    HB3  ALA   2           HB3      ALA   2  24.521   1.227  -1.627
   11    H    MET   3           HN       MET   3  22.317  -1.222   1.376
   12    HA   MET   3           HA       MET   3  25.077  -2.110   1.872
   13    HB2  MET   3           HB2      MET   3  24.462  -0.377   3.512
   14    HB3  MET   3           HB1      MET   3  23.047  -1.312   3.970
   15    HG2  MET   3           HG2      MET   3  24.554  -3.141   4.694
   16    HG3  MET   3           HG1      MET   3  25.926  -2.089   4.354
   17    HE1  MET   3           HE1      MET   3  24.781   0.767   5.307
   18    HE2  MET   3           HE2      MET   3  26.408   0.175   5.638
   19    HE3  MET   3           HE3      MET   3  25.410   0.796   6.953
   20    H    GLU   4           HN       GLU   4  24.561  -4.017   0.755
   21    HA   GLU   4           HA       GLU   4  22.353  -5.665   1.435
   22    HB2  GLU   4           HB2      GLU   4  23.600  -5.721  -0.744
   23    HB3  GLU   4           HB1      GLU   4  24.936  -6.488   0.099
   24    HG2  GLU   4           HG2      GLU   4  23.625  -8.144  -1.052
   25    HG3  GLU   4           HG1      GLU   4  23.472  -8.362   0.691
   26    H    GLY   5           HN       GLY   5  22.110  -6.962   3.130
   27    HA2  GLY   5           HA2      GLY   5  23.223  -8.828   4.383
   28    HA3  GLY   5           HA1      GLY   5  24.527  -7.683   4.668
   29    H    GLN   6           HN       GLN   6  23.711  -5.544   5.665
   30    HA   GLN   6           HA       GLN   6  22.224  -6.265   8.049
   31    HB2  GLN   6           HB2      GLN   6  24.285  -4.901   8.209
   32    HB3  GLN   6           HB1      GLN   6  23.498  -3.630   7.284
   33    HG2  GLN   6           HG2      GLN   6  21.832  -3.375   9.056
   34    HG3  GLN   6           HG1      GLN   6  22.634  -4.639   9.985
   35   HE21  GLN   6          HE21      GLN   6  22.791  -1.357   8.880
   36   HE22  GLN   6          HE22      GLN   6  24.095  -0.858   9.896
   37    H    GLN   7           HN       GLN   7  21.998  -3.807   5.488
   38    HA   GLN   7           HA       GLN   7  19.244  -3.252   6.275
   39    HB2  GLN   7           HB2      GLN   7  20.965  -1.938   4.161
   40    HB3  GLN   7           HB1      GLN   7  19.370  -1.401   4.665
   41    HG2  GLN   7           HG2      GLN   7  20.222  -0.938   6.899
   42    HG3  GLN   7           HG1      GLN   7  21.821  -1.495   6.409
   43   HE21  GLN   7          HE21      GLN   7  21.015   1.113   7.412
   44   HE22  GLN   7          HE22      GLN   7  21.451   2.256   6.186
   45    H    ASN   8           HN       ASN   8  18.410  -5.291   5.622
   46    HA   ASN   8           HA       ASN   8  18.597  -6.072   2.844
   47    HB2  ASN   8           HB2      ASN   8  17.144  -7.273   5.202
   48    HB3  ASN   8           HB1      ASN   8  17.056  -7.938   3.576
   49   HD21  ASN   8          HD21      ASN   8  18.088  -9.150   5.996
   50   HD22  ASN   8          HD22      ASN   8  19.736  -9.560   5.663
   51    H    LEU   9           HN       LEU   9  17.455  -3.572   3.100
   52    HA   LEU   9           HA       LEU   9  14.604  -3.703   3.049
   53    HB2  LEU   9           HB2      LEU   9  15.816  -1.670   3.706
   54    HB3  LEU   9           HB1      LEU   9  16.481  -1.542   2.092
   55    HG   LEU   9           HG       LEU   9  14.204  -1.192   1.197
   56   HD11  LEU   9          HD11      LEU   9  13.390  -1.196   4.100
   57   HD12  LEU   9          HD12      LEU   9  12.930  -2.388   2.885
   58   HD13  LEU   9          HD13      LEU   9  12.365  -0.724   2.746
   59   HD21  LEU   9          HD21      LEU   9  13.892   1.069   2.105
   60   HD22  LEU   9          HD22      LEU   9  15.583   0.729   1.741
   61   HD23  LEU   9          HD23      LEU   9  15.017   0.689   3.409
   62    H    ALA  10           HN       ALA  10  13.541  -4.669   1.484
   63    HA   ALA  10           HA       ALA  10  14.672  -5.088  -1.117
   64    HB1  ALA  10           HB1      ALA  10  13.244  -6.770  -0.062
   65    HB2  ALA  10           HB2      ALA  10  12.580  -6.242  -1.609
   66    HB3  ALA  10           HB3      ALA  10  11.887  -5.645  -0.102
   67    HA   PRO  11           HA       PRO  11  13.297  -1.193  -2.784
   68    HB2  PRO  11           HB2      PRO  11  13.767  -1.801  -5.410
   69    HB3  PRO  11           HB1      PRO  11  15.025  -1.298  -4.278
   70    HG2  PRO  11           HG2      PRO  11  14.278  -4.049  -5.182
   71    HG3  PRO  11           HG1      PRO  11  15.889  -3.348  -4.940
   72    HD2  PRO  11           HD2      PRO  11  14.763  -4.993  -3.131
   73    HD3  PRO  11           HD1      PRO  11  15.811  -3.644  -2.649
   74    H    GLY  12           HN       GLY  12  11.977  -4.274  -3.453
   75    HA2  GLY  12           HA2      GLY  12   9.836  -3.430  -5.144
   76    HA3  GLY  12           HA1      GLY  12   9.920  -4.943  -4.251
   77    H    ALA  13           HN       ALA  13  10.392  -3.459  -1.721
   78    HA   ALA  13           HA       ALA  13   7.593  -2.829  -1.171
   79    HB1  ALA  13           HB1      ALA  13   8.711  -4.434   0.301
   80    HB2  ALA  13           HB2      ALA  13   8.229  -2.985   1.186
   81    HB3  ALA  13           HB3      ALA  13   9.914  -3.214   0.720
   82    H    ARG  14           HN       ARG  14   7.826  -0.828  -2.427
   83    HA   ARG  14           HA       ARG  14   8.708   1.367  -0.712
   84    HB2  ARG  14           HB2      ARG  14  10.599   0.871  -2.241
   85    HB3  ARG  14           HB1      ARG  14   9.529   1.109  -3.616
   86    HG2  ARG  14           HG2      ARG  14   9.177   3.445  -2.888
   87    HG3  ARG  14           HG1      ARG  14  10.349   3.185  -1.595
   88    HD2  ARG  14           HD2      ARG  14  10.880   2.971  -4.555
   89    HD3  ARG  14           HD1      ARG  14  11.384   4.290  -3.501
   90    HE   ARG  14           HE       ARG  14  12.324   1.626  -2.808
   91   HH11  ARG  14          HH11      ARG  14  13.020   4.727  -4.283
   92   HH12  ARG  14          HH12      ARG  14  14.737   4.484  -4.276
   93   HH21  ARG  14          HH21      ARG  14  14.597   1.309  -2.809
   94   HH22  ARG  14          HH22      ARG  14  15.624   2.556  -3.436
   95    H    CYS  15           HN       CYS  15   7.523   3.224  -0.962
   96    HA   CYS  15           HA       CYS  15   4.997   3.023  -2.297
   97    HB2  CYS  15           HB2      CYS  15   5.236   4.181  -0.157
   98    HB3  CYS  15           HB1      CYS  15   6.378   5.306  -0.868
   99    H    GLY  16           HN       GLY  16   4.948   3.153  -4.459
  100    HA2  GLY  16           HA2      GLY  16   7.103   4.388  -5.909
  101    HA3  GLY  16           HA1      GLY  16   5.740   3.523  -6.597
  102    H    VAL  17           HN       VAL  17   4.099   5.514  -4.788
  103    HA   VAL  17           HA       VAL  17   3.477   7.316  -6.882
  104    HB   VAL  17           HB       VAL  17   2.786   7.497  -3.946
  105   HG11  VAL  17          HG11      VAL  17   1.609   8.959  -6.310
  106   HG12  VAL  17          HG12      VAL  17   2.573   9.672  -5.016
  107   HG13  VAL  17          HG13      VAL  17   0.980   9.005  -4.663
  108   HG21  VAL  17          HG21      VAL  17   1.249   6.395  -6.292
  109   HG22  VAL  17          HG22      VAL  17   0.599   6.613  -4.669
  110   HG23  VAL  17          HG23      VAL  17   1.919   5.478  -4.943
  111    H    CYS  18           HN       CYS  18   5.441   7.629  -3.954
  112    HA   CYS  18           HA       CYS  18   6.188  10.338  -4.817
  113    HB2  CYS  18           HB2      CYS  18   6.913  10.724  -2.512
  114    HB3  CYS  18           HB1      CYS  18   5.232  10.203  -2.559
  115    H    GLY  19           HN       GLY  19   7.403   7.147  -4.123
  116    HA2  GLY  19           HA2      GLY  19   9.385   6.343  -5.171
  117    HA3  GLY  19           HA1      GLY  19  10.014   7.984  -5.172
  118    H    ASP  20           HN       ASP  20   8.603   7.498  -2.235
  119    HA   ASP  20           HA       ASP  20  11.220   6.866  -1.059
  120    HB2  ASP  20           HB2      ASP  20   8.939   8.566  -0.105
  121    HB3  ASP  20           HB1      ASP  20  10.118   7.925   1.034
  122    H    GLY  21           HN       GLY  21  11.430   5.429   0.598
  123    HA2  GLY  21           HA2      GLY  21   9.065   3.736   1.146
  124    HA3  GLY  21           HA1      GLY  21  10.724   3.139   1.131
  125    H    THR  22           HN       THR  22  10.815   6.149   2.411
  126    HA   THR  22           HA       THR  22  11.299   5.212   5.055
  127    HB   THR  22           HB       THR  22  12.533   7.122   4.079
  128    HG1  THR  22           HG1      THR  22  11.024   7.896   6.382
  129   HG21  THR  22          HG21      THR  22  10.725   8.203   2.850
  130   HG22  THR  22          HG22      THR  22  11.483   9.337   3.966
  131   HG23  THR  22          HG23      THR  22   9.924   8.616   4.365
  132    H    ASP  23           HN       ASP  23  10.008   5.212   6.793
  133    HA   ASP  23           HA       ASP  23   8.111   5.257   8.050
  134    HB2  ASP  23           HB2      ASP  23   7.657   7.866   6.579
  135    HB3  ASP  23           HB1      ASP  23   6.832   7.367   8.051
  136    H    VAL  24           HN       VAL  24   7.896   3.592   6.022
  137    HA   VAL  24           HA       VAL  24   5.600   4.240   4.372
  138    HB   VAL  24           HB       VAL  24   7.763   3.105   3.564
  139   HG11  VAL  24          HG11      VAL  24   7.912   1.383   5.258
  140   HG12  VAL  24          HG12      VAL  24   7.810   0.681   3.645
  141   HG13  VAL  24          HG13      VAL  24   6.395   0.683   4.696
  142   HG21  VAL  24          HG21      VAL  24   5.778   3.409   2.194
  143   HG22  VAL  24          HG22      VAL  24   5.120   1.894   2.814
  144   HG23  VAL  24          HG23      VAL  24   6.593   1.887   1.841
  145    H    LEU  25           HN       LEU  25   3.707   2.984   4.287
  146    HA   LEU  25           HA       LEU  25   3.109   1.613   6.808
  147    HB2  LEU  25           HB2      LEU  25   1.255   2.657   4.661
  148    HB3  LEU  25           HB1      LEU  25   0.749   1.918   6.167
  149    HG   LEU  25           HG       LEU  25   2.266   4.518   5.923
  150   HD11  LEU  25          HD11      LEU  25  -0.033   4.685   5.114
  151   HD12  LEU  25          HD12      LEU  25   0.181   5.559   6.631
  152   HD13  LEU  25          HD13      LEU  25  -0.617   3.987   6.624
  153   HD21  LEU  25          HD21      LEU  25   1.772   4.750   8.317
  154   HD22  LEU  25          HD22      LEU  25   2.799   3.357   7.985
  155   HD23  LEU  25          HD23      LEU  25   1.084   3.126   8.323
  156    H    ARG  26           HN       ARG  26   1.895  -0.337   6.762
  157    HA   ARG  26           HA       ARG  26   2.323  -1.947   4.334
  158    HB2  ARG  26           HB2      ARG  26   2.260  -2.794   7.243
  159    HB3  ARG  26           HB1      ARG  26   2.347  -3.908   5.887
  160    HG2  ARG  26           HG2      ARG  26   4.405  -1.800   6.508
  161    HG3  ARG  26           HG1      ARG  26   4.524  -3.497   6.976
  162    HD2  ARG  26           HD2      ARG  26   4.371  -2.426   4.158
  163    HD3  ARG  26           HD1      ARG  26   5.809  -3.059   4.955
  164    HE   ARG  26           HE       ARG  26   3.501  -4.830   4.697
  165   HH11  ARG  26          HH11      ARG  26   6.720  -3.947   3.612
  166   HH12  ARG  26          HH12      ARG  26   6.990  -5.459   2.805
  167   HH21  ARG  26          HH21      ARG  26   3.874  -6.818   3.643
  168   HH22  ARG  26          HH22      ARG  26   5.380  -7.081   2.820
  169    H    CYS  27           HN       CYS  27   0.650  -3.511   3.841
  170    HA   CYS  27           HA       CYS  27  -1.965  -2.466   4.558
  171    HB2  CYS  27           HB2      CYS  27  -1.254  -3.032   2.158
  172    HB3  CYS  27           HB1      CYS  27  -1.456  -4.730   2.613
  173    H    THR  28           HN       THR  28  -3.549  -3.594   5.589
  174    HA   THR  28           HA       THR  28  -2.651  -5.664   7.368
  175    HB   THR  28           HB       THR  28  -5.092  -5.537   8.146
  176    HG1  THR  28           HG1      THR  28  -5.197  -3.048   6.855
  177   HG21  THR  28          HG21      THR  28  -3.266  -4.444   9.331
  178   HG22  THR  28          HG22      THR  28  -4.696  -3.415   9.322
  179   HG23  THR  28          HG23      THR  28  -3.354  -3.070   8.232
  180    H    HIS  29           HN       HIS  29  -4.481  -5.537   4.414
  181    HA   HIS  29           HA       HIS  29  -5.429  -8.280   4.855
  182    HB2  HIS  29           HB2      HIS  29  -6.329  -6.134   2.943
  183    HB3  HIS  29           HB1      HIS  29  -6.832  -7.810   2.773
  184    HD1  HIS  29           HD1      HIS  29  -9.234  -7.738   3.427
  185    HD2  HIS  29           HD2      HIS  29  -6.810  -5.705   6.127
  186    HE1  HIS  29           HE1      HIS  29 -10.742  -7.061   5.317
  187    HE2  HIS  29           HE2      HIS  29  -9.221  -5.989   7.009
  188    H    CYS  30           HN       CYS  30  -3.033  -6.555   3.179
  189    HA   CYS  30           HA       CYS  30  -2.231  -8.993   1.855
  190    HB2  CYS  30           HB2      CYS  30  -2.210  -8.221  -0.364
  191    HB3  CYS  30           HB1      CYS  30  -3.767  -7.682   0.252
  192    H    ALA  31           HN       ALA  31  -0.165  -8.142   0.370
  193    HA   ALA  31           HA       ALA  31   1.583  -6.935   2.379
  194    HB1  ALA  31           HB1      ALA  31   2.302  -8.683   0.030
  195    HB2  ALA  31           HB2      ALA  31   2.171  -9.214   1.706
  196    HB3  ALA  31           HB3      ALA  31   3.422  -8.062   1.242
  197    H    ALA  32           HN       ALA  32   2.072  -4.871   2.030
  198    HA   ALA  32           HA       ALA  32   2.970  -3.951  -0.522
  199    HB1  ALA  32           HB1      ALA  32   1.226  -2.272  -0.887
  200    HB2  ALA  32           HB2      ALA  32   0.320  -2.913   0.482
  201    HB3  ALA  32           HB3      ALA  32   0.571  -3.907  -0.954
  202    H    ALA  33           HN       ALA  33   4.336  -2.308  -0.244
  203    HA   ALA  33           HA       ALA  33   4.241  -0.791   2.283
  204    HB1  ALA  33           HB1      ALA  33   6.566  -0.209   1.838
  205    HB2  ALA  33           HB2      ALA  33   6.512  -1.102   0.321
  206    HB3  ALA  33           HB3      ALA  33   6.352  -1.958   1.854
  207    H    PHE  34           HN       PHE  34   3.193   1.054   2.087
  208    HA   PHE  34           HA       PHE  34   3.760   2.864  -0.091
  209    HB2  PHE  34           HB2      PHE  34   1.469   3.052  -0.884
  210    HB3  PHE  34           HB1      PHE  34   2.001   1.382  -1.044
  211    HD1  PHE  34           HD2      PHE  34   1.292  -0.267   0.775
  212    HD2  PHE  34           HD1      PHE  34  -0.477   3.573   0.283
  213    HE1  PHE  34           HE2      PHE  34  -0.668  -1.009   2.061
  214    HE2  PHE  34           HE1      PHE  34  -2.438   2.836   1.571
  215    HZ   PHE  34           HZ       PHE  34  -2.535   0.544   2.459
  216    H    HIS  35           HN       HIS  35   2.497   4.932   0.220
  217    HA   HIS  35           HA       HIS  35   1.940   5.378   3.074
  218    HB2  HIS  35           HB2      HIS  35   2.501   7.410   0.897
  219    HB3  HIS  35           HB1      HIS  35   2.211   7.781   2.590
  220    HD2  HIS  35           HD2      HIS  35   4.299   5.576   3.863
  221    HE1  HIS  35           HE1      HIS  35   7.114   7.706   1.525
  222    HE2  HIS  35           HE2      HIS  35   6.786   6.297   3.616
  223    H    TRP  36           HN       TRP  36  -0.059   5.803   3.699
  224    HA   TRP  36           HA       TRP  36  -2.283   5.490   2.031
  225    HB2  TRP  36           HB2      TRP  36  -2.465   5.109   4.412
  226    HB3  TRP  36           HB1      TRP  36  -2.015   6.774   4.760
  227    HD1  TRP  36           HD1      TRP  36  -3.894   8.647   4.453
  228    HE1  TRP  36           HE1      TRP  36  -6.455   8.512   4.313
  229    HE3  TRP  36           HE3      TRP  36  -4.396   3.640   3.556
  230    HZ2  TRP  36           HZ2      TRP  36  -8.433   6.546   3.877
  231    HZ3  TRP  36           HZ3      TRP  36  -6.658   2.714   3.292
  232    HH2  TRP  36           HH2      TRP  36  -8.634   4.138   3.451
  233    H    ARG  37           HN       ARG  37  -0.519   8.331   3.083
  234    HA   ARG  37           HA       ARG  37  -2.390  10.236   2.111
  235    HB2  ARG  37           HB2      ARG  37   0.558  10.535   2.701
  236    HB3  ARG  37           HB1      ARG  37  -0.571  11.859   2.445
  237    HG2  ARG  37           HG2      ARG  37  -1.840  11.161   4.413
  238    HG3  ARG  37           HG1      ARG  37  -0.697   9.841   4.674
  239    HD2  ARG  37           HD2      ARG  37  -0.121  11.664   6.125
  240    HD3  ARG  37           HD1      ARG  37   1.112  11.520   4.875
  241    HE   ARG  37           HE       ARG  37  -0.918  13.382   4.144
  242   HH11  ARG  37          HH11      ARG  37   1.988  12.980   6.044
  243   HH12  ARG  37          HH12      ARG  37   2.351  14.676   6.086
  244   HH21  ARG  37          HH21      ARG  37  -0.451  15.610   4.177
  245   HH22  ARG  37          HH22      ARG  37   0.964  16.177   5.008
  246    H    CYS  38           HN       CYS  38   0.174   8.430   0.616
  247    HA   CYS  38           HA       CYS  38   0.266  10.130  -1.720
  248    HB2  CYS  38           HB2      CYS  38   1.533   7.455  -1.122
  249    HB3  CYS  38           HB1      CYS  38   1.733   8.312  -2.644
  250    H    HIS  39           HN       HIS  39  -1.417   7.282  -0.666
  251    HA   HIS  39           HA       HIS  39  -2.343   6.660  -3.358
  252    HB2  HIS  39           HB2      HIS  39  -2.533   5.319  -0.700
  253    HB3  HIS  39           HB1      HIS  39  -3.758   4.949  -1.908
  254    HD1  HIS  39           HD1      HIS  39  -2.958   2.554  -2.264
  255    HD2  HIS  39           HD2      HIS  39  -0.027   5.398  -2.992
  256    HE1  HIS  39           HE1      HIS  39  -1.096   1.314  -3.384
  257    HE2  HIS  39           HE2      HIS  39   0.538   3.110  -4.058
  258    H    PHE  40           HN       PHE  40  -3.440   8.221  -0.459
  259    HA   PHE  40           HA       PHE  40  -5.984   8.845  -1.801
  260    HB2  PHE  40           HB2      PHE  40  -5.571   8.371   1.164
  261    HB3  PHE  40           HB1      PHE  40  -7.087   8.821   0.394
  262    HD1  PHE  40           HD1      PHE  40  -4.574   6.137   0.687
  263    HD2  PHE  40           HD2      PHE  40  -8.491   7.197  -0.584
  264    HE1  PHE  40           HE1      PHE  40  -5.116   3.759   0.375
  265    HE2  PHE  40           HE2      PHE  40  -9.038   4.820  -0.897
  266    HZ   PHE  40           HZ       PHE  40  -7.352   3.099  -0.413
  267    HA   PRO  41           HA       PRO  41  -3.722  12.688  -0.529
  268    HB2  PRO  41           HB2      PRO  41  -3.655  13.621  -3.218
  269    HB3  PRO  41           HB1      PRO  41  -2.308  13.000  -2.264
  270    HG2  PRO  41           HG2      PRO  41  -3.388  11.767  -4.505
  271    HG3  PRO  41           HG1      PRO  41  -2.389  10.970  -3.279
  272    HD2  PRO  41           HD2      PRO  41  -5.362  10.973  -3.596
  273    HD3  PRO  41           HD1      PRO  41  -4.281   9.660  -3.077
  274    H    ALA  42           HN       ALA  42  -6.729  11.980  -1.337
  275    HA   ALA  42           HA       ALA  42  -7.666  14.588  -2.175
  276    HB1  ALA  42           HB1      ALA  42  -9.286  12.184  -1.361
  277    HB2  ALA  42           HB2      ALA  42  -8.721  12.509  -2.999
  278    HB3  ALA  42           HB3      ALA  42  -9.862  13.608  -2.226
  279    H    GLY  43           HN       GLY  43  -6.524  13.613   0.653
  280    HA2  GLY  43           HA2      GLY  43  -6.728  14.789   2.688
  281    HA3  GLY  43           HA1      GLY  43  -8.308  15.363   2.170
  282    H    THR  44           HN       THR  44  -7.685  12.053   1.686
  283    HA   THR  44           HA       THR  44  -9.801  11.286   3.438
  284    HB   THR  44           HB       THR  44  -7.829   9.443   2.091
  285    HG1  THR  44           HG1      THR  44 -10.216  10.585   1.003
  286   HG21  THR  44          HG21      THR  44  -9.716   7.891   2.055
  287   HG22  THR  44          HG22      THR  44 -10.740   9.101   2.826
  288   HG23  THR  44          HG23      THR  44  -9.373   8.413   3.702
  289    H    SER  45           HN       SER  45  -9.693  10.603   5.485
  290    HA   SER  45           HA       SER  45  -7.107  10.528   6.814
  291    HB2  SER  45           HB2      SER  45  -9.842  10.119   8.040
  292    HB3  SER  45           HB1      SER  45  -8.360  10.629   8.850
  293    HG   SER  45           HG       SER  45  -8.461  12.534   7.458
  294    H    ARG  46           HN       ARG  46  -6.204   8.692   7.727
  295    HA   ARG  46           HA       ARG  46  -6.985   6.249   6.485
  296    HB2  ARG  46           HB2      ARG  46  -5.027   5.298   7.441
  297    HB3  ARG  46           HB1      ARG  46  -4.623   6.921   6.922
  298    HG2  ARG  46           HG2      ARG  46  -4.850   7.683   9.264
  299    HG3  ARG  46           HG1      ARG  46  -5.128   6.009   9.744
  300    HD2  ARG  46           HD2      ARG  46  -2.934   5.422   8.723
  301    HD3  ARG  46           HD1      ARG  46  -2.657   7.138   8.437
  302    HE   ARG  46           HE       ARG  46  -3.244   6.535  11.179
  303   HH11  ARG  46          HH11      ARG  46  -0.711   6.730   8.769
  304   HH12  ARG  46          HH12      ARG  46   0.571   6.828   9.934
  305   HH21  ARG  46          HH21      ARG  46  -1.564   6.664  12.717
  306   HH22  ARG  46          HH22      ARG  46   0.081   6.793  12.184
  307    HA   PRO  47           HA       PRO  47  -9.855   4.823   9.466
  308    HB2  PRO  47           HB2      PRO  47  -9.903   2.194   8.812
  309    HB3  PRO  47           HB1      PRO  47 -10.621   3.446   7.790
  310    HG2  PRO  47           HG2      PRO  47  -7.968   2.083   7.532
  311    HG3  PRO  47           HG1      PRO  47  -9.158   2.466   6.273
  312    HD2  PRO  47           HD2      PRO  47  -6.953   3.980   6.703
  313    HD3  PRO  47           HD1      PRO  47  -8.485   4.665   6.127
  314    H    GLY  48           HN       GLY  48  -9.998   3.790  11.438
  315    HA2  GLY  48           HA2      GLY  48  -7.429   2.978  12.581
  316    HA3  GLY  48           HA1      GLY  48  -8.875   3.409  13.480
  317    H    THR  49           HN       THR  49  -9.325   1.292  10.847
  318    HA   THR  49           HA       THR  49  -9.484  -0.993  12.693
  319    HB   THR  49           HB       THR  49 -11.161  -1.905  11.013
  320    HG1  THR  49           HG1      THR  49 -11.707   0.725  10.234
  321   HG21  THR  49          HG21      THR  49 -13.021  -0.603  11.941
  322   HG22  THR  49          HG22      THR  49 -11.884   0.615  12.514
  323   HG23  THR  49          HG23      THR  49 -11.843  -1.015  13.185
  324    H    GLY  50           HN       GLY  50  -7.109  -0.249  11.386
  325    HA2  GLY  50           HA2      GLY  50  -5.446  -1.678  10.491
  326    HA3  GLY  50           HA1      GLY  50  -6.711  -2.605   9.693
  327    H    LEU  51           HN       LEU  51  -4.180  -0.859   8.973
  328    HA   LEU  51           HA       LEU  51  -5.169   1.072   7.131
  329    HB2  LEU  51           HB2      LEU  51  -2.823   0.777   8.309
  330    HB3  LEU  51           HB1      LEU  51  -2.456  -0.167   6.883
  331    HG   LEU  51           HG       LEU  51  -1.654   2.155   6.725
  332   HD11  LEU  51          HD11      LEU  51  -3.851   1.507   4.772
  333   HD12  LEU  51          HD12      LEU  51  -2.179   0.956   4.682
  334   HD13  LEU  51          HD13      LEU  51  -2.550   2.672   4.520
  335   HD21  LEU  51          HD21      LEU  51  -3.200   4.000   6.516
  336   HD22  LEU  51          HD22      LEU  51  -3.429   3.195   8.070
  337   HD23  LEU  51          HD23      LEU  51  -4.568   2.914   6.754
  338    H    ARG  52           HN       ARG  52  -5.955   0.742   5.158
  339    HA   ARG  52           HA       ARG  52  -5.429  -1.850   3.855
  340    HB2  ARG  52           HB2      ARG  52  -7.874  -0.079   3.672
  341    HB3  ARG  52           HB1      ARG  52  -7.609  -1.513   2.694
  342    HG2  ARG  52           HG2      ARG  52  -7.558  -2.861   4.769
  343    HG3  ARG  52           HG1      ARG  52  -7.965  -1.402   5.676
  344    HD2  ARG  52           HD2      ARG  52 -10.015  -1.162   4.355
  345    HD3  ARG  52           HD1      ARG  52  -9.614  -2.632   3.469
  346    HE   ARG  52           HE       ARG  52  -9.853  -2.855   6.364
  347   HH11  ARG  52          HH11      ARG  52 -11.317  -3.340   3.214
  348   HH12  ARG  52          HH12      ARG  52 -12.550  -4.403   3.809
  349   HH21  ARG  52          HH21      ARG  52 -11.473  -4.262   7.145
  350   HH22  ARG  52          HH22      ARG  52 -12.632  -4.937   6.045
  351    H    CYS  53           HN       CYS  53  -4.547  -1.799   1.858
  352    HA   CYS  53           HA       CYS  53  -4.051   0.663   0.499
  353    HB2  CYS  53           HB2      CYS  53  -3.046  -0.647  -1.210
  354    HB3  CYS  53           HB1      CYS  53  -2.698  -1.505   0.286
  355    H    ARG  54           HN       ARG  54  -4.983   0.977  -1.853
  356    HA   ARG  54           HA       ARG  54  -7.725   1.361  -1.387
  357    HB2  ARG  54           HB2      ARG  54  -7.899   2.251  -3.613
  358    HB3  ARG  54           HB1      ARG  54  -6.402   2.811  -2.885
  359    HG2  ARG  54           HG2      ARG  54  -5.122   1.283  -4.198
  360    HG3  ARG  54           HG1      ARG  54  -6.584   0.512  -4.817
  361    HD2  ARG  54           HD2      ARG  54  -7.228   2.654  -5.859
  362    HD3  ARG  54           HD1      ARG  54  -5.715   3.360  -5.292
  363    HE   ARG  54           HE       ARG  54  -5.187   1.031  -6.795
  364   HH11  ARG  54          HH11      ARG  54  -6.209   4.362  -7.173
  365   HH12  ARG  54          HH12      ARG  54  -5.619   4.490  -8.797
  366   HH21  ARG  54          HH21      ARG  54  -4.406   1.203  -8.938
  367   HH22  ARG  54          HH22      ARG  54  -4.577   2.698  -9.795
  368    H    SER  55           HN       SER  55  -6.020  -1.220  -3.006
  369    HA   SER  55           HA       SER  55  -8.229  -2.378  -4.326
  370    HB2  SER  55           HB2      SER  55  -5.865  -2.922  -4.844
  371    HB3  SER  55           HB1      SER  55  -5.729  -3.738  -3.289
  372    HG   SER  55           HG       SER  55  -7.420  -4.446  -5.461
  373    H    CYS  56           HN       CYS  56  -6.814  -2.947  -1.110
  374    HA   CYS  56           HA       CYS  56  -8.680  -4.999  -0.437
  375    HB2  CYS  56           HB2      CYS  56  -6.792  -3.386   1.271
  376    HB3  CYS  56           HB1      CYS  56  -7.815  -4.670   1.904
  377    H    SER  57           HN       SER  57  -8.854  -1.560  -0.394
  378    HA   SER  57           HA       SER  57 -11.078  -1.589   1.479
  379    HB2  SER  57           HB2      SER  57 -11.177   0.872   1.017
  380    HB3  SER  57           HB1      SER  57  -9.622   0.326   1.637
  381    HG   SER  57           HG       SER  57  -9.839   0.306  -1.115
  382    H    GLY  58           HN       GLY  58 -10.564  -2.069  -1.810
  383    HA2  GLY  58           HA2      GLY  58 -12.609  -2.986  -2.907
  384    HA3  GLY  58           HA1      GLY  58 -13.403  -1.506  -2.386
  385    H    ASP  59           HN       ASP  59 -13.724  -0.201  -4.031
  386    HA   ASP  59           HA       ASP  59 -11.530   0.215  -5.939
  387    HB2  ASP  59           HB2      ASP  59 -13.119   0.340  -7.791
  388    HB3  ASP  59           HB1      ASP  59 -13.237  -1.227  -6.999
  389    H    VAL  60           HN       VAL  60 -11.617   2.290  -7.023
  390    HA   VAL  60           HA       VAL  60 -12.897   4.330  -5.333
  391    HB   VAL  60           HB       VAL  60 -10.501   4.676  -7.144
  392   HG11  VAL  60          HG11      VAL  60 -10.200   6.781  -5.905
  393   HG12  VAL  60          HG12      VAL  60 -11.708   6.473  -5.044
  394   HG13  VAL  60          HG13      VAL  60 -11.725   6.733  -6.788
  395   HG21  VAL  60          HG21      VAL  60  -9.980   3.156  -5.296
  396   HG22  VAL  60          HG22      VAL  60 -10.572   4.354  -4.143
  397   HG23  VAL  60          HG23      VAL  60  -9.142   4.697  -5.119
  398    H    THR  61           HN       THR  61 -14.351   5.674  -6.225
  399    HA   THR  61           HA       THR  61 -14.987   5.289  -9.038
  400    HB   THR  61           HB       THR  61 -17.000   6.739  -8.406
  401    HG1  THR  61           HG1      THR  61 -17.401   6.950  -6.208
  402   HG21  THR  61          HG21      THR  61 -18.144   4.843  -7.331
  403   HG22  THR  61          HG22      THR  61 -16.583   4.073  -7.060
  404   HG23  THR  61          HG23      THR  61 -17.162   4.333  -8.703
  405    HA   PRO  62           HA       PRO  62 -13.076   9.172 -10.205
  406    HB2  PRO  62           HB2      PRO  62 -14.781   8.938 -12.593
  407    HB3  PRO  62           HB1      PRO  62 -13.021   8.990 -12.477
  408    HG2  PRO  62           HG2      PRO  62 -14.340   6.739 -13.129
  409    HG3  PRO  62           HG1      PRO  62 -12.838   6.715 -12.187
  410    HD2  PRO  62           HD2      PRO  62 -15.664   6.401 -11.259
  411    HD3  PRO  62           HD1      PRO  62 -14.195   5.557 -10.724
  412    H    ALA  63           HN       ALA  63 -13.706  11.285 -10.088
  413    HA   ALA  63           HA       ALA  63 -16.253  11.891  -9.016
  414    HB1  ALA  63           HB1      ALA  63 -15.535  14.215  -9.107
  415    HB2  ALA  63           HB2      ALA  63 -14.185  13.768 -10.150
  416    HB3  ALA  63           HB3      ALA  63 -14.244  13.185  -8.487
  417    HA   PRO  64           HA       PRO  64 -18.539  11.814 -12.839
  418    HB2  PRO  64           HB2      PRO  64 -20.486  13.379 -11.234
  419    HB3  PRO  64           HB1      PRO  64 -20.719  11.883 -12.141
  420    HG2  PRO  64           HG2      PRO  64 -20.598  11.863  -9.479
  421    HG3  PRO  64           HG1      PRO  64 -19.874  10.561 -10.440
  422    HD2  PRO  64           HD2      PRO  64 -18.553  12.851  -9.048
  423    HD3  PRO  64           HD1      PRO  64 -18.010  11.171  -9.227
  424    H    VAL  65           HN       VAL  65 -18.560  13.151 -14.544
  425    HA   VAL  65           HA       VAL  65 -18.061  16.004 -14.069
  426    HB   VAL  65           HB       VAL  65 -17.426  16.132 -16.440
  427   HG11  VAL  65          HG11      VAL  65 -16.053  13.912 -14.931
  428   HG12  VAL  65          HG12      VAL  65 -15.705  15.638 -14.804
  429   HG13  VAL  65          HG13      VAL  65 -15.380  14.781 -16.312
  430   HG21  VAL  65          HG21      VAL  65 -18.887  14.405 -17.340
  431   HG22  VAL  65          HG22      VAL  65 -17.968  13.165 -16.489
  432   HG23  VAL  65          HG23      VAL  65 -17.209  14.091 -17.782
  433    H    GLU  66           HN       GLU  66 -20.642  14.065 -14.485
  434    HA   GLU  66           HA       GLU  66 -22.139  16.056 -16.049
  435    HB2  GLU  66           HB2      GLU  66 -22.820  13.158 -15.524
  436    HB3  GLU  66           HB1      GLU  66 -23.759  14.275 -16.504
  437    HG2  GLU  66           HG2      GLU  66 -22.035  14.411 -18.137
  438    HG3  GLU  66           HG1      GLU  66 -20.918  13.514 -17.109
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1  15.105 -19.540   2.915
    2    H2   GLY   1           HT2      GLY   1  16.359 -19.373   4.029
    3    H3   GLY   1           HT3      GLY   1  15.332 -20.712   4.110
    4    HA2  GLY   1           HA1      GLY   1  17.225 -20.107   1.909
    5    HA3  GLY   1           HA2      GLY   1  17.454 -21.329   3.152
    6    H    ALA   2           HN       ALA   2  17.363 -21.698   0.292
    7    HA   ALA   2           HA       ALA   2  16.543 -23.115  -1.271
    8    HB1  ALA   2           HB1      ALA   2  15.453 -25.162  -0.517
    9    HB2  ALA   2           HB2      ALA   2  15.216 -24.457   1.083
   10    HB3  ALA   2           HB3      ALA   2  16.846 -24.779   0.494
   11    H    MET   3           HN       MET   3  15.043 -20.702  -0.579
   12    HA   MET   3           HA       MET   3  12.464 -21.511  -1.709
   13    HB2  MET   3           HB2      MET   3  12.880 -19.680   0.651
   14    HB3  MET   3           HB1      MET   3  11.379 -19.742  -0.262
   15    HG2  MET   3           HG2      MET   3  11.067 -22.060   0.327
   16    HG3  MET   3           HG1      MET   3  12.628 -22.092   1.143
   17    HE1  MET   3           HE1      MET   3  11.365 -23.158   3.258
   18    HE2  MET   3           HE2      MET   3   9.822 -23.039   2.414
   19    HE3  MET   3           HE3      MET   3   9.985 -22.395   4.047
   20    H    GLU   4           HN       GLU   4  14.146 -18.520  -0.736
   21    HA   GLU   4           HA       GLU   4  13.325 -17.266  -3.221
   22    HB2  GLU   4           HB2      GLU   4  14.771 -16.269  -0.775
   23    HB3  GLU   4           HB1      GLU   4  14.680 -15.306  -2.240
   24    HG2  GLU   4           HG2      GLU   4  12.974 -14.620  -0.690
   25    HG3  GLU   4           HG1      GLU   4  12.234 -15.353  -2.111
   26    H    GLY   5           HN       GLY   5  14.665 -19.118  -4.227
   27    HA2  GLY   5           HA2      GLY   5  17.483 -19.024  -4.208
   28    HA3  GLY   5           HA1      GLY   5  16.492 -19.764  -5.456
   29    H    GLN   6           HN       GLN   6  15.098 -17.467  -6.284
   30    HA   GLN   6           HA       GLN   6  17.142 -16.212  -7.894
   31    HB2  GLN   6           HB2      GLN   6  14.148 -15.786  -7.782
   32    HB3  GLN   6           HB1      GLN   6  15.225 -15.030  -8.946
   33    HG2  GLN   6           HG2      GLN   6  15.819 -17.212  -9.837
   34    HG3  GLN   6           HG1      GLN   6  14.767 -17.988  -8.653
   35   HE21  GLN   6          HE21      GLN   6  14.899 -16.043 -11.532
   36   HE22  GLN   6          HE22      GLN   6  13.248 -16.260 -11.996
   37    H    GLN   7           HN       GLN   7  14.611 -15.084  -5.661
   38    HA   GLN   7           HA       GLN   7  14.353 -13.156  -4.488
   39    HB2  GLN   7           HB2      GLN   7  16.328 -14.322  -3.350
   40    HB3  GLN   7           HB1      GLN   7  17.354 -13.164  -4.185
   41    HG2  GLN   7           HG2      GLN   7  16.223 -11.328  -3.080
   42    HG3  GLN   7           HG1      GLN   7  15.135 -12.460  -2.280
   43   HE21  GLN   7          HE21      GLN   7  17.284 -14.415  -1.845
   44   HE22  GLN   7          HE22      GLN   7  18.240 -13.785  -0.552
   45    H    ASN   8           HN       ASN   8  14.098 -12.593  -6.978
   46    HA   ASN   8           HA       ASN   8  15.577 -10.108  -7.439
   47    HB2  ASN   8           HB2      ASN   8  16.758 -11.721  -8.778
   48    HB3  ASN   8           HB1      ASN   8  15.256 -12.382  -9.409
   49   HD21  ASN   8          HD21      ASN   8  14.290 -11.426 -11.139
   50   HD22  ASN   8          HD22      ASN   8  14.967 -10.088 -11.998
   51    H    LEU   9           HN       LEU   9  12.712 -11.967  -7.616
   52    HA   LEU   9           HA       LEU   9  11.350 -10.014  -9.309
   53    HB2  LEU   9           HB2      LEU   9  10.437 -12.696  -8.254
   54    HB3  LEU   9           HB1      LEU   9   9.462 -11.638  -9.250
   55    HG   LEU   9           HG       LEU   9  10.266 -13.281 -10.709
   56   HD11  LEU   9          HD11      LEU   9  12.112 -10.922 -10.996
   57   HD12  LEU   9          HD12      LEU   9  10.461 -11.032 -11.607
   58   HD13  LEU   9          HD13      LEU   9  11.715 -12.090 -12.253
   59   HD21  LEU   9          HD21      LEU   9  12.614 -13.940 -10.889
   60   HD22  LEU   9          HD22      LEU   9  11.973 -14.251  -9.276
   61   HD23  LEU   9          HD23      LEU   9  13.018 -12.859  -9.554
   62    H    ALA  10           HN       ALA  10  11.964  -8.771  -7.117
   63    HA   ALA  10           HA       ALA  10  10.183  -9.040  -4.932
   64    HB1  ALA  10           HB1      ALA  10  11.040  -6.877  -4.224
   65    HB2  ALA  10           HB2      ALA  10  11.749  -6.615  -5.815
   66    HB3  ALA  10           HB3      ALA  10  12.363  -7.903  -4.778
   67    HA   PRO  11           HA       PRO  11   6.580  -7.300  -6.777
   68    HB2  PRO  11           HB2      PRO  11   5.139  -6.805  -4.539
   69    HB3  PRO  11           HB1      PRO  11   5.392  -8.434  -5.172
   70    HG2  PRO  11           HG2      PRO  11   6.790  -7.032  -2.934
   71    HG3  PRO  11           HG1      PRO  11   6.245  -8.716  -3.035
   72    HD2  PRO  11           HD2      PRO  11   8.830  -7.956  -3.431
   73    HD3  PRO  11           HD1      PRO  11   8.106  -9.376  -4.208
   74    H    GLY  12           HN       GLY  12   8.563  -5.590  -4.581
   75    HA2  GLY  12           HA2      GLY  12   9.150  -3.318  -4.959
   76    HA3  GLY  12           HA1      GLY  12   7.570  -3.062  -5.684
   77    H    ALA  13           HN       ALA  13   8.998  -4.028  -2.568
   78    HA   ALA  13           HA       ALA  13   6.785  -3.003  -1.066
   79    HB1  ALA  13           HB1      ALA  13   9.534  -3.812  -0.116
   80    HB2  ALA  13           HB2      ALA  13   8.142  -4.885  -0.259
   81    HB3  ALA  13           HB3      ALA  13   8.113  -3.553   0.896
   82    H    ARG  14           HN       ARG  14   6.815  -0.894  -2.093
   83    HA   ARG  14           HA       ARG  14   8.041   1.106  -0.496
   84    HB2  ARG  14           HB2      ARG  14  10.007   0.518  -1.848
   85    HB3  ARG  14           HB1      ARG  14   9.075   0.743  -3.321
   86    HG2  ARG  14           HG2      ARG  14   8.820   3.119  -2.791
   87    HG3  ARG  14           HG1      ARG  14   9.777   2.888  -1.327
   88    HD2  ARG  14           HD2      ARG  14  11.126   3.801  -3.147
   89    HD3  ARG  14           HD1      ARG  14  11.687   2.202  -2.666
   90    HE   ARG  14           HE       ARG  14   9.885   2.454  -4.967
   91   HH11  ARG  14          HH11      ARG  14  13.051   1.689  -3.678
   92   HH12  ARG  14          HH12      ARG  14  13.606   0.938  -5.138
   93   HH21  ARG  14          HH21      ARG  14  10.605   1.473  -6.889
   94   HH22  ARG  14          HH22      ARG  14  12.205   0.806  -6.968
   95    H    CYS  15           HN       CYS  15   7.075   3.114  -0.878
   96    HA   CYS  15           HA       CYS  15   4.565   3.077  -2.191
   97    HB2  CYS  15           HB2      CYS  15   4.960   4.474  -0.246
   98    HB3  CYS  15           HB1      CYS  15   6.243   5.334  -1.080
   99    H    GLY  16           HN       GLY  16   4.509   2.858  -4.346
  100    HA2  GLY  16           HA2      GLY  16   6.606   3.916  -6.024
  101    HA3  GLY  16           HA1      GLY  16   5.214   2.982  -6.549
  102    H    VAL  17           HN       VAL  17   3.908   5.283  -4.706
  103    HA   VAL  17           HA       VAL  17   2.962   6.793  -6.935
  104    HB   VAL  17           HB       VAL  17   2.614   7.362  -3.986
  105   HG11  VAL  17          HG11      VAL  17   1.061   8.328  -6.385
  106   HG12  VAL  17          HG12      VAL  17   2.118   9.300  -5.364
  107   HG13  VAL  17          HG13      VAL  17   0.629   8.625  -4.702
  108   HG21  VAL  17          HG21      VAL  17   0.444   6.231  -4.231
  109   HG22  VAL  17          HG22      VAL  17   1.797   5.143  -4.539
  110   HG23  VAL  17          HG23      VAL  17   0.869   5.799  -5.887
  111    H    CYS  18           HN       CYS  18   5.208   7.417  -4.268
  112    HA   CYS  18           HA       CYS  18   5.939   9.937  -5.590
  113    HB2  CYS  18           HB2      CYS  18   6.816  10.701  -3.457
  114    HB3  CYS  18           HB1      CYS  18   5.146  10.184  -3.260
  115    H    GLY  19           HN       GLY  19   7.091   6.854  -4.452
  116    HA2  GLY  19           HA2      GLY  19   8.936   5.808  -5.570
  117    HA3  GLY  19           HA1      GLY  19   9.655   7.397  -5.788
  118    H    ASP  20           HN       ASP  20   8.537   7.584  -2.788
  119    HA   ASP  20           HA       ASP  20  11.147   6.885  -1.676
  120    HB2  ASP  20           HB2      ASP  20  10.487   9.144  -1.227
  121    HB3  ASP  20           HB1      ASP  20   8.902   8.630  -0.659
  122    H    GLY  21           HN       GLY  21  11.400   5.629   0.177
  123    HA2  GLY  21           HA2      GLY  21   9.063   3.947   0.842
  124    HA3  GLY  21           HA1      GLY  21  10.713   3.344   0.789
  125    H    THR  22           HN       THR  22  10.376   6.479   2.103
  126    HA   THR  22           HA       THR  22  11.190   5.537   4.706
  127    HB   THR  22           HB       THR  22  10.506   8.366   3.889
  128    HG1  THR  22           HG1      THR  22  12.104   7.830   2.497
  129   HG21  THR  22          HG21      THR  22  10.715   8.001   6.300
  130   HG22  THR  22          HG22      THR  22  12.057   8.972   5.693
  131   HG23  THR  22          HG23      THR  22  12.299   7.264   6.058
  132    H    ASP  23           HN       ASP  23   9.878   5.167   6.394
  133    HA   ASP  23           HA       ASP  23   8.022   5.021   7.692
  134    HB2  ASP  23           HB2      ASP  23   8.406   7.489   7.815
  135    HB3  ASP  23           HB1      ASP  23   7.271   7.683   6.488
  136    H    VAL  24           HN       VAL  24   7.745   3.412   5.688
  137    HA   VAL  24           HA       VAL  24   5.297   3.987   4.235
  138    HB   VAL  24           HB       VAL  24   5.681   1.644   3.279
  139   HG11  VAL  24          HG11      VAL  24   6.156   3.682   2.040
  140   HG12  VAL  24          HG12      VAL  24   7.373   2.450   1.709
  141   HG13  VAL  24          HG13      VAL  24   7.746   3.787   2.798
  142   HG21  VAL  24          HG21      VAL  24   7.986   0.807   3.412
  143   HG22  VAL  24          HG22      VAL  24   7.194   0.806   4.986
  144   HG23  VAL  24          HG23      VAL  24   8.366   2.062   4.591
  145    H    LEU  25           HN       LEU  25   3.376   3.147   4.619
  146    HA   LEU  25           HA       LEU  25   2.959   1.686   7.085
  147    HB2  LEU  25           HB2      LEU  25   1.015   2.726   5.015
  148    HB3  LEU  25           HB1      LEU  25   0.555   1.978   6.533
  149    HG   LEU  25           HG       LEU  25   2.115   4.549   6.273
  150   HD11  LEU  25          HD11      LEU  25   0.054   5.624   7.033
  151   HD12  LEU  25          HD12      LEU  25  -0.777   4.069   6.973
  152   HD13  LEU  25          HD13      LEU  25  -0.170   4.803   5.489
  153   HD21  LEU  25          HD21      LEU  25   0.926   3.168   8.678
  154   HD22  LEU  25          HD22      LEU  25   1.653   4.774   8.676
  155   HD23  LEU  25          HD23      LEU  25   2.644   3.359   8.323
  156    H    ARG  26           HN       ARG  26   1.586  -0.237   7.100
  157    HA   ARG  26           HA       ARG  26   2.133  -1.923   4.747
  158    HB2  ARG  26           HB2      ARG  26   2.064  -2.692   7.667
  159    HB3  ARG  26           HB1      ARG  26   2.249  -3.826   6.341
  160    HG2  ARG  26           HG2      ARG  26   4.163  -1.606   7.028
  161    HG3  ARG  26           HG1      ARG  26   4.383  -3.316   7.402
  162    HD2  ARG  26           HD2      ARG  26   4.241  -2.055   4.669
  163    HD3  ARG  26           HD1      ARG  26   5.654  -2.772   5.439
  164    HE   ARG  26           HE       ARG  26   3.357  -4.507   5.030
  165   HH11  ARG  26          HH11      ARG  26   6.540  -3.502   3.980
  166   HH12  ARG  26          HH12      ARG  26   6.783  -4.894   2.971
  167   HH21  ARG  26          HH21      ARG  26   3.680  -6.342   3.734
  168   HH22  ARG  26          HH22      ARG  26   5.149  -6.508   2.826
  169    H    CYS  27           HN       CYS  27   0.473  -3.003   3.866
  170    HA   CYS  27           HA       CYS  27  -2.192  -2.459   4.689
  171    HB2  CYS  27           HB2      CYS  27  -1.324  -3.065   2.323
  172    HB3  CYS  27           HB1      CYS  27  -1.411  -4.747   2.860
  173    H    THR  28           HN       THR  28  -3.595  -3.677   5.912
  174    HA   THR  28           HA       THR  28  -2.404  -5.862   7.426
  175    HB   THR  28           HB       THR  28  -4.531  -5.761   8.746
  176    HG1  THR  28           HG1      THR  28  -6.113  -4.486   8.113
  177   HG21  THR  28          HG21      THR  28  -2.549  -4.511   9.455
  178   HG22  THR  28          HG22      THR  28  -4.026  -3.624   9.835
  179   HG23  THR  28          HG23      THR  28  -3.043  -3.148   8.451
  180    H    HIS  29           HN       HIS  29  -4.533  -5.374   4.796
  181    HA   HIS  29           HA       HIS  29  -5.778  -7.988   5.070
  182    HB2  HIS  29           HB2      HIS  29  -6.160  -5.719   3.127
  183    HB3  HIS  29           HB1      HIS  29  -6.886  -7.300   2.859
  184    HD1  HIS  29           HD1      HIS  29  -9.284  -7.065   3.398
  185    HD2  HIS  29           HD2      HIS  29  -6.881  -5.118   6.174
  186    HE1  HIS  29           HE1      HIS  29 -10.855  -6.173   5.145
  187    HE2  HIS  29           HE2      HIS  29  -9.352  -5.212   6.924
  188    H    CYS  30           HN       CYS  30  -3.162  -6.494   3.388
  189    HA   CYS  30           HA       CYS  30  -2.385  -9.082   2.353
  190    HB2  CYS  30           HB2      CYS  30  -2.263  -8.526   0.078
  191    HB3  CYS  30           HB1      CYS  30  -3.805  -7.840   0.573
  192    H    ALA  31           HN       ALA  31  -0.232  -8.296   0.824
  193    HA   ALA  31           HA       ALA  31   1.436  -6.961   2.819
  194    HB1  ALA  31           HB1      ALA  31   3.333  -8.094   1.784
  195    HB2  ALA  31           HB2      ALA  31   2.256  -8.811   0.587
  196    HB3  ALA  31           HB3      ALA  31   2.100  -9.249   2.287
  197    H    ALA  32           HN       ALA  32   1.871  -4.906   2.395
  198    HA   ALA  32           HA       ALA  32   2.895  -4.060  -0.131
  199    HB1  ALA  32           HB1      ALA  32   1.147  -2.450  -0.703
  200    HB2  ALA  32           HB2      ALA  32   0.169  -3.017   0.652
  201    HB3  ALA  32           HB3      ALA  32   0.510  -4.095  -0.703
  202    H    ALA  33           HN       ALA  33   4.110  -2.275   0.112
  203    HA   ALA  33           HA       ALA  33   3.886  -0.796   2.655
  204    HB1  ALA  33           HB1      ALA  33   6.318  -1.223   0.914
  205    HB2  ALA  33           HB2      ALA  33   6.002  -1.992   2.471
  206    HB3  ALA  33           HB3      ALA  33   6.270  -0.251   2.384
  207    H    PHE  34           HN       PHE  34   3.226   1.261   2.470
  208    HA   PHE  34           HA       PHE  34   3.866   2.862   0.163
  209    HB2  PHE  34           HB2      PHE  34   1.544   3.210  -0.561
  210    HB3  PHE  34           HB1      PHE  34   2.012   1.522  -0.725
  211    HD1  PHE  34           HD2      PHE  34   1.197  -0.145   0.947
  212    HD2  PHE  34           HD1      PHE  34  -0.252   3.856   0.826
  213    HE1  PHE  34           HE2      PHE  34  -0.753  -0.813   2.285
  214    HE2  PHE  34           HE1      PHE  34  -2.203   3.193   2.167
  215    HZ   PHE  34           HZ       PHE  34  -2.457   0.856   2.894
  216    H    HIS  35           HN       HIS  35   2.670   5.014   0.291
  217    HA   HIS  35           HA       HIS  35   2.307   5.790   3.103
  218    HB2  HIS  35           HB2      HIS  35   2.720   7.558   0.677
  219    HB3  HIS  35           HB1      HIS  35   2.608   8.104   2.345
  220    HD2  HIS  35           HD2      HIS  35   4.767   5.789   3.488
  221    HE1  HIS  35           HE1      HIS  35   7.381   7.896   0.914
  222    HE2  HIS  35           HE2      HIS  35   7.219   6.510   3.033
  223    H    TRP  36           HN       TRP  36   0.329   6.146   3.802
  224    HA   TRP  36           HA       TRP  36  -1.981   5.906   2.214
  225    HB2  TRP  36           HB2      TRP  36  -1.937   5.491   4.652
  226    HB3  TRP  36           HB1      TRP  36  -1.658   7.204   4.936
  227    HD1  TRP  36           HD1      TRP  36  -3.746   8.835   4.747
  228    HE1  TRP  36           HE1      TRP  36  -6.282   8.414   4.666
  229    HE3  TRP  36           HE3      TRP  36  -3.703   3.819   3.762
  230    HZ2  TRP  36           HZ2      TRP  36  -8.033   6.243   4.240
  231    HZ3  TRP  36           HZ3      TRP  36  -5.854   2.645   3.532
  232    HH2  TRP  36           HH2      TRP  36  -7.974   3.834   3.766
  233    H    ARG  37           HN       ARG  37  -0.003   8.614   3.154
  234    HA   ARG  37           HA       ARG  37  -1.839  10.657   2.413
  235    HB2  ARG  37           HB2      ARG  37   1.156  10.727   2.789
  236    HB3  ARG  37           HB1      ARG  37   0.146  12.148   2.565
  237    HG2  ARG  37           HG2      ARG  37  -1.030  11.685   4.619
  238    HG3  ARG  37           HG1      ARG  37  -0.126  10.186   4.827
  239    HD2  ARG  37           HD2      ARG  37   1.951  11.457   5.003
  240    HD3  ARG  37           HD1      ARG  37   1.053  12.959   4.778
  241    HE   ARG  37           HE       ARG  37  -0.128  11.724   6.928
  242   HH11  ARG  37          HH11      ARG  37   3.082  12.859   6.131
  243   HH12  ARG  37          HH12      ARG  37   3.507  13.217   7.773
  244   HH21  ARG  37          HH21      ARG  37   0.424  12.197   9.103
  245   HH22  ARG  37          HH22      ARG  37   1.999  12.825   9.468
  246    H    CYS  38           HN       CYS  38   0.444   8.729   0.647
  247    HA   CYS  38           HA       CYS  38   0.323  10.454  -1.686
  248    HB2  CYS  38           HB2      CYS  38   1.624   7.761  -1.254
  249    HB3  CYS  38           HB1      CYS  38   1.680   8.651  -2.771
  250    H    HIS  39           HN       HIS  39  -1.337   7.758  -0.373
  251    HA   HIS  39           HA       HIS  39  -2.453   6.949  -2.936
  252    HB2  HIS  39           HB2      HIS  39  -2.567   5.849  -0.151
  253    HB3  HIS  39           HB1      HIS  39  -3.792   5.373  -1.319
  254    HD1  HIS  39           HD1      HIS  39  -3.174   3.058  -1.928
  255    HD2  HIS  39           HD2      HIS  39   0.117   5.591  -1.942
  256    HE1  HIS  39           HE1      HIS  39  -1.256   1.658  -2.757
  257    HE2  HIS  39           HE2      HIS  39   0.677   3.263  -2.937
  258    H    PHE  40           HN       PHE  40  -3.492   8.452   0.091
  259    HA   PHE  40           HA       PHE  40  -6.060   9.087  -1.196
  260    HB2  PHE  40           HB2      PHE  40  -5.507   8.344   1.680
  261    HB3  PHE  40           HB1      PHE  40  -7.034   9.017   1.122
  262    HD1  PHE  40           HD1      PHE  40  -4.795   6.109   0.945
  263    HD2  PHE  40           HD2      PHE  40  -8.623   7.677  -0.046
  264    HE1  PHE  40           HE1      PHE  40  -5.570   3.847   0.373
  265    HE2  PHE  40           HE2      PHE  40  -9.405   5.417  -0.618
  266    HZ   PHE  40           HZ       PHE  40  -7.897   3.505  -0.410
  267    HA   PRO  41           HA       PRO  41  -5.157  13.352  -0.363
  268    HB2  PRO  41           HB2      PRO  41  -8.043  13.777  -0.004
  269    HB3  PRO  41           HB1      PRO  41  -6.961  14.426  -1.239
  270    HG2  PRO  41           HG2      PRO  41  -8.808  12.560  -1.809
  271    HG3  PRO  41           HG1      PRO  41  -7.236  12.612  -2.626
  272    HD2  PRO  41           HD2      PRO  41  -8.158  10.828  -0.408
  273    HD3  PRO  41           HD1      PRO  41  -7.176  10.441  -1.836
  274    H    ALA  42           HN       ALA  42  -5.712  15.093   1.225
  275    HA   ALA  42           HA       ALA  42  -5.285  14.117   3.844
  276    HB1  ALA  42           HB1      ALA  42  -5.964  16.911   2.941
  277    HB2  ALA  42           HB2      ALA  42  -4.343  16.230   3.061
  278    HB3  ALA  42           HB3      ALA  42  -5.311  16.463   4.515
  279    H    GLY  43           HN       GLY  43  -8.128  14.811   2.069
  280    HA2  GLY  43           HA2      GLY  43  -9.859  15.247   4.308
  281    HA3  GLY  43           HA1      GLY  43 -10.356  14.870   2.665
  282    H    THR  44           HN       THR  44  -8.341  12.485   3.052
  283    HA   THR  44           HA       THR  44 -10.419  10.667   3.994
  284    HB   THR  44           HB       THR  44  -7.749   9.974   2.759
  285    HG1  THR  44           HG1      THR  44  -9.631  11.236   1.565
  286   HG21  THR  44          HG21      THR  44  -8.823   7.827   2.271
  287   HG22  THR  44          HG22      THR  44 -10.296   8.377   3.070
  288   HG23  THR  44          HG23      THR  44  -8.818   8.151   4.004
  289    H    SER  45           HN       SER  45 -10.294   9.554   5.863
  290    HA   SER  45           HA       SER  45  -8.152  10.267   7.680
  291    HB2  SER  45           HB2      SER  45 -10.647   8.628   8.186
  292    HB3  SER  45           HB1      SER  45  -9.581   9.324   9.407
  293    HG   SER  45           HG       SER  45 -10.186  11.366   8.021
  294    H    ARG  46           HN       ARG  46  -6.646   8.920   8.461
  295    HA   ARG  46           HA       ARG  46  -6.210   6.429   7.068
  296    HB2  ARG  46           HB2      ARG  46  -4.353   7.997   7.560
  297    HB3  ARG  46           HB1      ARG  46  -4.612   7.740   9.279
  298    HG2  ARG  46           HG2      ARG  46  -4.135   5.304   8.880
  299    HG3  ARG  46           HG1      ARG  46  -3.639   5.750   7.246
  300    HD2  ARG  46           HD2      ARG  46  -1.694   5.613   8.673
  301    HD3  ARG  46           HD1      ARG  46  -1.969   7.292   8.211
  302    HE   ARG  46           HE       ARG  46  -3.248   7.150  10.560
  303   HH11  ARG  46          HH11      ARG  46  -0.017   6.180   9.607
  304   HH12  ARG  46          HH12      ARG  46   0.637   6.369  11.200
  305   HH21  ARG  46          HH21      ARG  46  -2.394   7.399  12.637
  306   HH22  ARG  46          HH22      ARG  46  -0.720   7.057  12.933
  307    HA   PRO  47           HA       PRO  47  -8.256   4.093  10.309
  308    HB2  PRO  47           HB2      PRO  47  -7.748   1.637   9.252
  309    HB3  PRO  47           HB1      PRO  47  -9.045   2.687   8.675
  310    HG2  PRO  47           HG2      PRO  47  -6.334   2.217   7.525
  311    HG3  PRO  47           HG1      PRO  47  -7.885   2.405   6.693
  312    HD2  PRO  47           HD2      PRO  47  -6.045   4.395   6.881
  313    HD3  PRO  47           HD1      PRO  47  -7.792   4.695   6.774
  314    H    GLY  48           HN       GLY  48  -7.584   2.830  12.063
  315    HA2  GLY  48           HA2      GLY  48  -4.674   2.911  12.437
  316    HA3  GLY  48           HA1      GLY  48  -5.870   2.875  13.718
  317    H    THR  49           HN       THR  49  -7.375   0.654  12.537
  318    HA   THR  49           HA       THR  49  -5.493  -1.465  13.292
  319    HB   THR  49           HB       THR  49  -7.615  -2.822  13.677
  320    HG1  THR  49           HG1      THR  49  -9.207  -0.766  14.249
  321   HG21  THR  49          HG21      THR  49  -7.994  -1.829  15.887
  322   HG22  THR  49          HG22      THR  49  -7.129  -0.379  15.381
  323   HG23  THR  49          HG23      THR  49  -6.275  -1.916  15.505
  324    H    GLY  50           HN       GLY  50  -7.864  -0.543  10.903
  325    HA2  GLY  50           HA2      GLY  50  -7.163  -2.932   9.327
  326    HA3  GLY  50           HA1      GLY  50  -8.655  -2.020   9.161
  327    H    LEU  51           HN       LEU  51  -5.140  -1.692   8.794
  328    HA   LEU  51           HA       LEU  51  -5.372   0.585   7.067
  329    HB2  LEU  51           HB2      LEU  51  -3.398  -0.257   8.619
  330    HB3  LEU  51           HB1      LEU  51  -2.927  -1.133   7.180
  331    HG   LEU  51           HG       LEU  51  -1.695   0.966   7.400
  332   HD11  LEU  51          HD11      LEU  51  -2.136   0.117   5.160
  333   HD12  LEU  51          HD12      LEU  51  -2.096   1.880   5.185
  334   HD13  LEU  51          HD13      LEU  51  -3.643   1.033   5.105
  335   HD21  LEU  51          HD21      LEU  51  -3.430   2.218   8.619
  336   HD22  LEU  51          HD22      LEU  51  -4.361   2.338   7.126
  337   HD23  LEU  51          HD23      LEU  51  -2.782   3.111   7.244
  338    H    ARG  52           HN       ARG  52  -5.827   0.532   4.953
  339    HA   ARG  52           HA       ARG  52  -5.483  -2.024   3.536
  340    HB2  ARG  52           HB2      ARG  52  -7.742  -0.038   3.250
  341    HB3  ARG  52           HB1      ARG  52  -7.509  -1.447   2.226
  342    HG2  ARG  52           HG2      ARG  52  -7.730  -2.880   4.246
  343    HG3  ARG  52           HG1      ARG  52  -8.124  -1.429   5.172
  344    HD2  ARG  52           HD2      ARG  52  -9.651  -2.511   2.807
  345    HD3  ARG  52           HD1      ARG  52 -10.152  -2.592   4.495
  346    HE   ARG  52           HE       ARG  52  -9.907   0.030   4.191
  347   HH11  ARG  52          HH11      ARG  52 -11.404  -2.347   2.099
  348   HH12  ARG  52          HH12      ARG  52 -12.557  -1.229   1.444
  349   HH21  ARG  52          HH21      ARG  52 -11.414   1.510   3.307
  350   HH22  ARG  52          HH22      ARG  52 -12.553   0.964   2.119
  351    H    CYS  53           HN       CYS  53  -4.431  -1.960   1.678
  352    HA   CYS  53           HA       CYS  53  -3.359   0.473   0.639
  353    HB2  CYS  53           HB2      CYS  53  -2.316  -0.911  -1.031
  354    HB3  CYS  53           HB1      CYS  53  -2.237  -1.782   0.497
  355    H    ARG  54           HN       ARG  54  -3.648   0.668  -1.977
  356    HA   ARG  54           HA       ARG  54  -6.272   1.659  -2.280
  357    HB2  ARG  54           HB2      ARG  54  -4.337   2.556  -3.503
  358    HB3  ARG  54           HB1      ARG  54  -4.200   1.054  -4.398
  359    HG2  ARG  54           HG2      ARG  54  -5.234   2.829  -5.715
  360    HG3  ARG  54           HG1      ARG  54  -6.321   1.462  -5.482
  361    HD2  ARG  54           HD2      ARG  54  -6.463   3.716  -3.547
  362    HD3  ARG  54           HD1      ARG  54  -7.128   3.966  -5.160
  363    HE   ARG  54           HE       ARG  54  -8.121   1.543  -4.193
  364   HH11  ARG  54          HH11      ARG  54  -8.333   4.945  -3.389
  365   HH12  ARG  54          HH12      ARG  54  -9.961   4.832  -2.804
  366   HH21  ARG  54          HH21      ARG  54 -10.265   1.401  -3.424
  367   HH22  ARG  54          HH22      ARG  54 -11.051   2.815  -2.802
  368    H    SER  55           HN       SER  55  -4.738  -1.343  -3.254
  369    HA   SER  55           HA       SER  55  -6.820  -2.313  -4.888
  370    HB2  SER  55           HB2      SER  55  -4.561  -3.226  -4.981
  371    HB3  SER  55           HB1      SER  55  -4.705  -3.803  -3.325
  372    HG   SER  55           HG       SER  55  -5.122  -5.507  -4.675
  373    H    CYS  56           HN       CYS  56  -6.049  -3.020  -1.458
  374    HA   CYS  56           HA       CYS  56  -8.408  -4.582  -1.083
  375    HB2  CYS  56           HB2      CYS  56  -6.608  -3.298   0.978
  376    HB3  CYS  56           HB1      CYS  56  -7.871  -4.471   1.328
  377    H    SER  57           HN       SER  57  -7.791  -1.196  -1.043
  378    HA   SER  57           HA       SER  57 -10.052  -0.525   0.605
  379    HB2  SER  57           HB2      SER  57  -8.006   0.937   0.332
  380    HB3  SER  57           HB1      SER  57  -8.567   1.300  -1.300
  381    HG   SER  57           HG       SER  57 -10.469   2.172  -0.377
  382    H    GLY  58           HN       GLY  58  -9.572  -1.458  -2.626
  383    HA2  GLY  58           HA2      GLY  58 -12.137  -0.364  -3.502
  384    HA3  GLY  58           HA1      GLY  58 -11.010  -1.297  -4.484
  385    H    ASP  59           HN       ASP  59 -13.162  -1.599  -1.685
  386    HA   ASP  59           HA       ASP  59 -13.162  -4.486  -1.976
  387    HB2  ASP  59           HB2      ASP  59 -12.971  -3.625   0.271
  388    HB3  ASP  59           HB1      ASP  59 -14.436  -2.668   0.073
  389    H    VAL  60           HN       VAL  60 -14.766  -5.691  -2.717
  390    HA   VAL  60           HA       VAL  60 -17.153  -4.306  -3.737
  391    HB   VAL  60           HB       VAL  60 -15.962  -6.907  -4.716
  392   HG11  VAL  60          HG11      VAL  60 -18.137  -5.154  -5.854
  393   HG12  VAL  60          HG12      VAL  60 -18.344  -6.747  -5.127
  394   HG13  VAL  60          HG13      VAL  60 -17.456  -6.578  -6.642
  395   HG21  VAL  60          HG21      VAL  60 -15.213  -5.622  -6.674
  396   HG22  VAL  60          HG22      VAL  60 -14.433  -5.090  -5.186
  397   HG23  VAL  60          HG23      VAL  60 -15.741  -4.137  -5.886
  398    H    THR  61           HN       THR  61 -19.048  -4.860  -2.879
  399    HA   THR  61           HA       THR  61 -19.199  -7.278  -1.231
  400    HB   THR  61           HB       THR  61 -21.449  -6.202  -0.556
  401    HG1  THR  61           HG1      THR  61 -21.640  -4.601  -2.092
  402   HG21  THR  61          HG21      THR  61 -19.532  -6.302   0.942
  403   HG22  THR  61          HG22      THR  61 -20.338  -4.741   1.090
  404   HG23  THR  61          HG23      THR  61 -18.835  -4.876   0.176
  405    HA   PRO  62           HA       PRO  62 -21.739  -9.190  -4.352
  406    HB2  PRO  62           HB2      PRO  62 -22.864 -11.131  -2.832
  407    HB3  PRO  62           HB1      PRO  62 -21.186 -11.200  -3.375
  408    HG2  PRO  62           HG2      PRO  62 -22.285 -10.386  -0.717
  409    HG3  PRO  62           HG1      PRO  62 -20.858 -11.372  -1.086
  410    HD2  PRO  62           HD2      PRO  62 -20.717  -8.737  -0.412
  411    HD3  PRO  62           HD1      PRO  62 -19.535  -9.538  -1.465
  412    H    ALA  63           HN       ALA  63 -23.843  -9.081  -5.046
  413    HA   ALA  63           HA       ALA  63 -25.618  -7.390  -3.521
  414    HB1  ALA  63           HB1      ALA  63 -27.032  -7.428  -5.506
  415    HB2  ALA  63           HB2      ALA  63 -26.012  -8.675  -6.224
  416    HB3  ALA  63           HB3      ALA  63 -25.362  -7.061  -5.936
  417    HA   PRO  64           HA       PRO  64 -27.900 -10.774  -1.779
  418    HB2  PRO  64           HB2      PRO  64 -30.015  -9.403  -0.835
  419    HB3  PRO  64           HB1      PRO  64 -28.409  -9.262  -0.110
  420    HG2  PRO  64           HG2      PRO  64 -29.786  -7.426  -2.035
  421    HG3  PRO  64           HG1      PRO  64 -28.841  -7.027  -0.588
  422    HD2  PRO  64           HD2      PRO  64 -27.835  -6.904  -3.123
  423    HD3  PRO  64           HD1      PRO  64 -26.840  -7.232  -1.692
  424    H    VAL  65           HN       VAL  65 -28.106 -10.761  -4.511
  425    HA   VAL  65           HA       VAL  65 -30.994 -10.916  -5.068
  426    HB   VAL  65           HB       VAL  65 -28.697 -10.854  -7.039
  427   HG11  VAL  65          HG11      VAL  65 -31.672 -10.634  -7.480
  428   HG12  VAL  65          HG12      VAL  65 -30.663 -12.019  -7.896
  429   HG13  VAL  65          HG13      VAL  65 -30.431 -10.479  -8.723
  430   HG21  VAL  65          HG21      VAL  65 -30.613  -8.662  -6.245
  431   HG22  VAL  65          HG22      VAL  65 -29.417  -8.566  -7.538
  432   HG23  VAL  65          HG23      VAL  65 -28.892  -8.731  -5.863
  433    H    GLU  66           HN       GLU  66 -31.287 -12.933  -4.076
  434    HA   GLU  66           HA       GLU  66 -30.410 -15.202  -5.648
  435    HB2  GLU  66           HB2      GLU  66 -28.611 -14.912  -3.994
  436    HB3  GLU  66           HB1      GLU  66 -29.793 -14.978  -2.696
  437    HG2  GLU  66           HG2      GLU  66 -30.368 -17.282  -3.411
  438    HG3  GLU  66           HG1      GLU  66 -29.058 -17.197  -4.590
  Start of MODEL   23
    1    H1   GLY   1           HT1      GLY   1   6.799 -23.962   5.874
    2    H2   GLY   1           HT2      GLY   1   7.538 -25.301   5.157
    3    H3   GLY   1           HT3      GLY   1   5.857 -25.133   5.098
    4    HA2  GLY   1           HA1      GLY   1   6.841 -24.564   2.971
    5    HA3  GLY   1           HA2      GLY   1   6.048 -23.181   3.711
    6    H    ALA   2           HN       ALA   2   8.331 -23.453   1.757
    7    HA   ALA   2           HA       ALA   2  10.671 -22.570   3.170
    8    HB1  ALA   2           HB1      ALA   2  10.839 -23.886   1.109
    9    HB2  ALA   2           HB2      ALA   2  11.680 -22.343   0.969
   10    HB3  ALA   2           HB3      ALA   2  10.105 -22.561   0.209
   11    H    MET   3           HN       MET   3  10.497 -20.671   4.162
   12    HA   MET   3           HA       MET   3  10.314 -18.450   4.544
   13    HB2  MET   3           HB2      MET   3  10.642 -18.300   1.547
   14    HB3  MET   3           HB1      MET   3  10.622 -16.893   2.599
   15    HG2  MET   3           HG2      MET   3  12.583 -17.825   3.794
   16    HG3  MET   3           HG1      MET   3  12.631 -19.131   2.610
   17    HE1  MET   3           HE1      MET   3  11.752 -17.480  -0.051
   18    HE2  MET   3           HE2      MET   3  13.001 -18.724  -0.003
   19    HE3  MET   3           HE3      MET   3  13.354 -17.147  -0.712
   20    H    GLU   4           HN       GLU   4   7.909 -20.035   4.100
   21    HA   GLU   4           HA       GLU   4   6.074 -18.239   2.746
   22    HB2  GLU   4           HB2      GLU   4   5.850 -20.687   2.479
   23    HB3  GLU   4           HB1      GLU   4   5.546 -20.839   4.203
   24    HG2  GLU   4           HG2      GLU   4   3.508 -20.946   2.809
   25    HG3  GLU   4           HG1      GLU   4   3.477 -19.657   4.011
   26    H    GLY   5           HN       GLY   5   4.176 -17.384   3.808
   27    HA2  GLY   5           HA2      GLY   5   3.023 -16.531   5.656
   28    HA3  GLY   5           HA1      GLY   5   4.263 -17.192   6.715
   29    H    GLN   6           HN       GLN   6   4.847 -15.197   3.894
   30    HA   GLN   6           HA       GLN   6   5.870 -13.196   3.600
   31    HB2  GLN   6           HB2      GLN   6   4.369 -12.649   6.155
   32    HB3  GLN   6           HB1      GLN   6   5.359 -11.421   5.386
   33    HG2  GLN   6           HG2      GLN   6   3.061 -11.107   4.773
   34    HG3  GLN   6           HG1      GLN   6   3.980 -11.605   3.357
   35   HE21  GLN   6          HE21      GLN   6   3.552 -13.580   2.409
   36   HE22  GLN   6          HE22      GLN   6   2.172 -14.540   2.824
   37    H    GLN   7           HN       GLN   7   7.363 -15.282   4.778
   38    HA   GLN   7           HA       GLN   7   8.872 -14.170   6.988
   39    HB2  GLN   7           HB2      GLN   7   8.167 -16.617   6.741
   40    HB3  GLN   7           HB1      GLN   7   9.430 -16.747   5.526
   41    HG2  GLN   7           HG2      GLN   7  10.238 -17.560   7.639
   42    HG3  GLN   7           HG1      GLN   7  11.092 -16.081   7.207
   43   HE21  GLN   7          HE21      GLN   7  11.661 -15.705   9.353
   44   HE22  GLN   7          HE22      GLN   7  10.518 -15.151  10.526
   45    H    ASN   8           HN       ASN   8   8.998 -14.032   3.646
   46    HA   ASN   8           HA       ASN   8  11.902 -13.685   3.553
   47    HB2  ASN   8           HB2      ASN   8  10.928 -15.004   1.744
   48    HB3  ASN   8           HB1      ASN   8   9.831 -13.686   1.343
   49   HD21  ASN   8          HD21      ASN   8  13.114 -14.818   1.228
   50   HD22  ASN   8          HD22      ASN   8  13.687 -13.649   0.089
   51    H    LEU   9           HN       LEU   9  12.863 -11.737   3.353
   52    HA   LEU   9           HA       LEU   9  11.166  -9.377   3.498
   53    HB2  LEU   9           HB2      LEU   9  13.049  -9.609   5.071
   54    HB3  LEU   9           HB1      LEU   9  14.167  -9.644   3.722
   55    HG   LEU   9           HG       LEU   9  13.485  -7.337   3.127
   56   HD11  LEU   9          HD11      LEU   9  11.906  -7.482   5.691
   57   HD12  LEU   9          HD12      LEU   9  11.245  -7.334   4.062
   58   HD13  LEU   9          HD13      LEU   9  12.204  -6.022   4.748
   59   HD21  LEU   9          HD21      LEU   9  15.449  -7.746   4.519
   60   HD22  LEU   9          HD22      LEU   9  14.442  -7.670   5.965
   61   HD23  LEU   9          HD23      LEU   9  14.649  -6.238   4.956
   62    H    ALA  10           HN       ALA  10  10.382  -9.314   1.392
   63    HA   ALA  10           HA       ALA  10  12.173  -9.270  -0.857
   64    HB1  ALA  10           HB1      ALA  10   9.930 -10.237  -1.050
   65    HB2  ALA  10           HB2      ALA  10  10.153  -8.901  -2.182
   66    HB3  ALA  10           HB3      ALA  10   9.222  -8.659  -0.704
   67    HA   PRO  11           HA       PRO  11  12.920  -4.870  -0.816
   68    HB2  PRO  11           HB2      PRO  11  13.396  -5.047  -3.699
   69    HB3  PRO  11           HB1      PRO  11  14.532  -4.671  -2.402
   70    HG2  PRO  11           HG2      PRO  11  14.633  -6.991  -3.773
   71    HG3  PRO  11           HG1      PRO  11  15.072  -6.883  -2.059
   72    HD2  PRO  11           HD2      PRO  11  12.531  -7.863  -3.303
   73    HD3  PRO  11           HD1      PRO  11  13.459  -8.541  -1.951
   74    H    GLY  12           HN       GLY  12  10.203  -5.538  -0.975
   75    HA2  GLY  12           HA2      GLY  12   9.189  -3.799  -3.128
   76    HA3  GLY  12           HA1      GLY  12   8.237  -4.992  -2.253
   77    H    ALA  13           HN       ALA  13  10.258  -3.429  -0.137
   78    HA   ALA  13           HA       ALA  13   8.065  -1.976   1.038
   79    HB1  ALA  13           HB1      ALA  13  10.952  -2.150   1.898
   80    HB2  ALA  13           HB2      ALA  13   9.649  -3.200   2.452
   81    HB3  ALA  13           HB3      ALA  13   9.624  -1.481   2.848
   82    H    ARG  14           HN       ARG  14   7.853  -0.612  -0.899
   83    HA   ARG  14           HA       ARG  14   9.116   1.930  -0.434
   84    HB2  ARG  14           HB2      ARG  14  10.747   0.777  -1.926
   85    HB3  ARG  14           HB1      ARG  14   9.473   0.584  -3.122
   86    HG2  ARG  14           HG2      ARG  14   9.270   3.042  -3.252
   87    HG3  ARG  14           HG1      ARG  14  10.620   3.187  -2.124
   88    HD2  ARG  14           HD2      ARG  14  12.031   1.932  -3.720
   89    HD3  ARG  14           HD1      ARG  14  10.683   1.911  -4.854
   90    HE   ARG  14           HE       ARG  14  11.558   4.526  -3.917
   91   HH11  ARG  14          HH11      ARG  14  11.660   2.100  -6.443
   92   HH12  ARG  14          HH12      ARG  14  12.217   3.204  -7.659
   93   HH21  ARG  14          HH21      ARG  14  12.285   5.985  -5.523
   94   HH22  ARG  14          HH22      ARG  14  12.576   5.415  -7.136
   95    H    CYS  15           HN       CYS  15   7.630   3.440  -0.728
   96    HA   CYS  15           HA       CYS  15   5.109   2.808  -1.967
   97    HB2  CYS  15           HB2      CYS  15   5.055   4.153   0.000
   98    HB3  CYS  15           HB1      CYS  15   6.285   5.236  -0.622
   99    H    GLY  16           HN       GLY  16   5.098   2.696  -4.122
  100    HA2  GLY  16           HA2      GLY  16   7.103   3.912  -5.725
  101    HA3  GLY  16           HA1      GLY  16   5.716   3.011  -6.309
  102    H    VAL  17           HN       VAL  17   4.058   5.020  -4.655
  103    HA   VAL  17           HA       VAL  17   3.328   6.643  -6.837
  104    HB   VAL  17           HB       VAL  17   2.684   7.071  -3.917
  105   HG11  VAL  17          HG11      VAL  17   2.211   9.035  -5.281
  106   HG12  VAL  17          HG12      VAL  17   0.713   8.266  -4.756
  107   HG13  VAL  17          HG13      VAL  17   1.287   8.042  -6.407
  108   HG21  VAL  17          HG21      VAL  17   2.051   4.836  -4.629
  109   HG22  VAL  17          HG22      VAL  17   1.201   5.500  -6.022
  110   HG23  VAL  17          HG23      VAL  17   0.615   5.832  -4.392
  111    H    CYS  18           HN       CYS  18   5.520   7.161  -4.144
  112    HA   CYS  18           HA       CYS  18   6.093   9.836  -5.231
  113    HB2  CYS  18           HB2      CYS  18   6.769  10.540  -3.002
  114    HB3  CYS  18           HB1      CYS  18   5.119   9.930  -2.967
  115    H    GLY  19           HN       GLY  19   7.409   6.835  -3.977
  116    HA2  GLY  19           HA2      GLY  19   9.424   5.997  -5.057
  117    HA3  GLY  19           HA1      GLY  19  10.033   7.645  -5.046
  118    H    ASP  20           HN       ASP  20   8.695   7.700  -2.215
  119    HA   ASP  20           HA       ASP  20  11.138   6.944  -0.839
  120    HB2  ASP  20           HB2      ASP  20   8.662   8.434   0.011
  121    HB3  ASP  20           HB1      ASP  20   9.879   7.924   1.175
  122    H    GLY  21           HN       GLY  21  11.410   5.184   0.346
  123    HA2  GLY  21           HA2      GLY  21   9.042   3.526   0.957
  124    HA3  GLY  21           HA1      GLY  21  10.690   2.920   0.805
  125    H    THR  22           HN       THR  22  11.035   5.735   2.343
  126    HA   THR  22           HA       THR  22  11.404   4.517   4.908
  127    HB   THR  22           HB       THR  22  12.949   6.258   4.132
  128    HG1  THR  22           HG1      THR  22  11.419   7.076   6.418
  129   HG21  THR  22          HG21      THR  22  10.583   8.125   4.342
  130   HG22  THR  22          HG22      THR  22  11.383   7.627   2.849
  131   HG23  THR  22          HG23      THR  22  12.252   8.606   4.031
  132    H    ASP  23           HN       ASP  23  10.127   4.616   6.656
  133    HA   ASP  23           HA       ASP  23   8.249   4.861   7.917
  134    HB2  ASP  23           HB2      ASP  23   8.212   7.567   6.559
  135    HB3  ASP  23           HB1      ASP  23   7.200   7.127   7.932
  136    H    VAL  24           HN       VAL  24   7.887   3.352   5.760
  137    HA   VAL  24           HA       VAL  24   5.610   4.308   4.231
  138    HB   VAL  24           HB       VAL  24   7.640   3.007   3.303
  139   HG11  VAL  24          HG11      VAL  24   7.400   0.578   3.243
  140   HG12  VAL  24          HG12      VAL  24   6.048   0.691   4.370
  141   HG13  VAL  24          HG13      VAL  24   7.665   1.181   4.877
  142   HG21  VAL  24          HG21      VAL  24   5.642   3.593   2.024
  143   HG22  VAL  24          HG22      VAL  24   4.882   2.090   2.551
  144   HG23  VAL  24          HG23      VAL  24   6.328   2.042   1.539
  145    H    LEU  25           HN       LEU  25   3.599   3.191   4.160
  146    HA   LEU  25           HA       LEU  25   2.989   1.808   6.665
  147    HB2  LEU  25           HB2      LEU  25   1.152   3.006   4.584
  148    HB3  LEU  25           HB1      LEU  25   0.625   2.232   6.068
  149    HG   LEU  25           HG       LEU  25   2.253   4.769   5.876
  150   HD11  LEU  25          HD11      LEU  25   0.245   5.835   6.782
  151   HD12  LEU  25          HD12      LEU  25  -0.607   4.293   6.697
  152   HD13  LEU  25          HD13      LEU  25  -0.064   5.085   5.217
  153   HD21  LEU  25          HD21      LEU  25   2.878   3.521   7.852
  154   HD22  LEU  25          HD22      LEU  25   1.184   3.292   8.279
  155   HD23  LEU  25          HD23      LEU  25   1.889   4.907   8.312
  156    H    ARG  26           HN       ARG  26   1.900  -0.157   6.704
  157    HA   ARG  26           HA       ARG  26   2.254  -1.753   4.252
  158    HB2  ARG  26           HB2      ARG  26   3.745  -2.241   6.244
  159    HB3  ARG  26           HB1      ARG  26   2.300  -2.745   7.105
  160    HG2  ARG  26           HG2      ARG  26   3.366  -4.699   6.288
  161    HG3  ARG  26           HG1      ARG  26   1.922  -4.440   5.305
  162    HD2  ARG  26           HD2      ARG  26   3.257  -3.475   3.535
  163    HD3  ARG  26           HD1      ARG  26   4.708  -3.589   4.528
  164    HE   ARG  26           HE       ARG  26   3.624  -6.152   4.295
  165   HH11  ARG  26          HH11      ARG  26   5.164  -3.724   2.305
  166   HH12  ARG  26          HH12      ARG  26   5.787  -4.871   1.162
  167   HH21  ARG  26          HH21      ARG  26   4.469  -7.668   2.822
  168   HH22  ARG  26          HH22      ARG  26   5.402  -7.123   1.463
  169    H    CYS  27           HN       CYS  27   0.508  -2.780   3.461
  170    HA   CYS  27           HA       CYS  27  -2.069  -2.351   4.507
  171    HB2  CYS  27           HB2      CYS  27  -1.417  -2.953   2.095
  172    HB3  CYS  27           HB1      CYS  27  -1.346  -4.632   2.642
  173    H    THR  28           HN       THR  28  -3.235  -3.438   6.017
  174    HA   THR  28           HA       THR  28  -1.909  -5.601   7.424
  175    HB   THR  28           HB       THR  28  -3.847  -5.451   8.986
  176    HG1  THR  28           HG1      THR  28  -5.565  -4.386   8.386
  177   HG21  THR  28          HG21      THR  28  -1.842  -4.118   9.389
  178   HG22  THR  28          HG22      THR  28  -3.287  -3.237   9.886
  179   HG23  THR  28          HG23      THR  28  -2.482  -2.828   8.372
  180    H    HIS  29           HN       HIS  29  -3.885  -5.415   4.787
  181    HA   HIS  29           HA       HIS  29  -5.218  -7.966   5.388
  182    HB2  HIS  29           HB2      HIS  29  -5.930  -5.815   3.390
  183    HB3  HIS  29           HB1      HIS  29  -6.739  -7.376   3.482
  184    HD1  HIS  29           HD1      HIS  29  -8.516  -7.665   5.265
  185    HD2  HIS  29           HD2      HIS  29  -6.396  -4.109   5.641
  186    HE1  HIS  29           HE1      HIS  29  -9.752  -6.317   6.989
  187    HE2  HIS  29           HE2      HIS  29  -8.339  -4.265   7.340
  188    H    CYS  30           HN       CYS  30  -2.869  -6.457   3.382
  189    HA   CYS  30           HA       CYS  30  -2.203  -9.033   2.268
  190    HB2  CYS  30           HB2      CYS  30  -2.415  -8.526  -0.001
  191    HB3  CYS  30           HB1      CYS  30  -3.873  -7.826   0.687
  192    H    ALA  31           HN       ALA  31  -0.357  -8.097   0.371
  193    HA   ALA  31           HA       ALA  31   1.609  -6.817   2.121
  194    HB1  ALA  31           HB1      ALA  31   3.309  -7.807   0.681
  195    HB2  ALA  31           HB2      ALA  31   2.053  -8.463  -0.369
  196    HB3  ALA  31           HB3      ALA  31   2.209  -9.047   1.288
  197    H    ALA  32           HN       ALA  32   1.886  -4.715   1.764
  198    HA   ALA  32           HA       ALA  32   2.428  -3.670  -0.830
  199    HB1  ALA  32           HB1      ALA  32   0.553  -2.119  -1.017
  200    HB2  ALA  32           HB2      ALA  32  -0.163  -2.788   0.449
  201    HB3  ALA  32           HB3      ALA  32  -0.025  -3.786  -0.997
  202    H    ALA  33           HN       ALA  33   3.812  -2.077  -0.569
  203    HA   ALA  33           HA       ALA  33   3.904  -0.636   2.002
  204    HB1  ALA  33           HB1      ALA  33   6.039  -0.879  -0.115
  205    HB2  ALA  33           HB2      ALA  33   5.942  -1.864   1.343
  206    HB3  ALA  33           HB3      ALA  33   6.206  -0.126   1.471
  207    H    PHE  34           HN       PHE  34   2.920   1.269   1.935
  208    HA   PHE  34           HA       PHE  34   3.381   3.092  -0.270
  209    HB2  PHE  34           HB2      PHE  34   1.013   3.399  -0.797
  210    HB3  PHE  34           HB1      PHE  34   1.486   1.726  -1.078
  211    HD1  PHE  34           HD2      PHE  34   0.888  -0.006   0.657
  212    HD2  PHE  34           HD1      PHE  34  -0.725   3.933   0.679
  213    HE1  PHE  34           HE2      PHE  34  -0.934  -0.764   2.124
  214    HE2  PHE  34           HE1      PHE  34  -2.549   3.182   2.146
  215    HZ   PHE  34           HZ       PHE  34  -2.656   0.830   2.868
  216    H    HIS  35           HN       HIS  35   2.347   5.234   0.185
  217    HA   HIS  35           HA       HIS  35   1.986   5.656   3.075
  218    HB2  HIS  35           HB2      HIS  35   2.559   7.678   0.892
  219    HB3  HIS  35           HB1      HIS  35   2.339   8.060   2.593
  220    HD2  HIS  35           HD2      HIS  35   4.358   5.861   3.894
  221    HE1  HIS  35           HE1      HIS  35   7.200   7.655   1.317
  222    HE2  HIS  35           HE2      HIS  35   6.872   6.392   3.498
  223    H    TRP  36           HN       TRP  36   0.122   6.479   3.842
  224    HA   TRP  36           HA       TRP  36  -2.253   6.100   2.390
  225    HB2  TRP  36           HB2      TRP  36  -2.032   6.026   4.885
  226    HB3  TRP  36           HB1      TRP  36  -1.875   7.778   4.882
  227    HD1  TRP  36           HD1      TRP  36  -4.082   9.199   4.652
  228    HE1  TRP  36           HE1      TRP  36  -6.582   8.591   4.677
  229    HE3  TRP  36           HE3      TRP  36  -3.683   4.129   4.147
  230    HZ2  TRP  36           HZ2      TRP  36  -8.175   6.260   4.500
  231    HZ3  TRP  36           HZ3      TRP  36  -5.740   2.781   4.085
  232    HH2  TRP  36           HH2      TRP  36  -7.941   3.827   4.258
  233    H    ARG  37           HN       ARG  37  -0.250   8.925   2.953
  234    HA   ARG  37           HA       ARG  37  -2.142  10.794   1.904
  235    HB2  ARG  37           HB2      ARG  37   0.832  11.036   2.359
  236    HB3  ARG  37           HB1      ARG  37  -0.200  12.367   1.859
  237    HG2  ARG  37           HG2      ARG  37  -1.513  12.048   3.947
  238    HG3  ARG  37           HG1      ARG  37  -0.325  10.844   4.451
  239    HD2  ARG  37           HD2      ARG  37   0.152  13.025   5.442
  240    HD3  ARG  37           HD1      ARG  37   1.438  12.529   4.341
  241    HE   ARG  37           HE       ARG  37  -0.302  14.051   2.836
  242   HH11  ARG  37          HH11      ARG  37   1.633  14.569   5.711
  243   HH12  ARG  37          HH12      ARG  37   1.915  16.245   5.366
  244   HH21  ARG  37          HH21      ARG  37   0.068  16.250   2.392
  245   HH22  ARG  37          HH22      ARG  37   1.022  17.201   3.486
  246    H    CYS  38           HN       CYS  38   0.255   8.732   0.514
  247    HA   CYS  38           HA       CYS  38   0.333  10.166  -1.991
  248    HB2  CYS  38           HB2      CYS  38   1.484   7.485  -1.190
  249    HB3  CYS  38           HB1      CYS  38   1.742   8.261  -2.748
  250    H    HIS  39           HN       HIS  39  -1.530   7.682  -0.539
  251    HA   HIS  39           HA       HIS  39  -2.551   6.762  -3.119
  252    HB2  HIS  39           HB2      HIS  39  -2.443   5.643  -0.394
  253    HB3  HIS  39           HB1      HIS  39  -3.924   5.305  -1.281
  254    HD1  HIS  39           HD1      HIS  39  -3.788   3.115  -2.377
  255    HD2  HIS  39           HD2      HIS  39  -0.107   5.037  -2.355
  256    HE1  HIS  39           HE1      HIS  39  -2.181   1.508  -3.468
  257    HE2  HIS  39           HE2      HIS  39  -0.030   2.805  -3.663
  258    H    PHE  40           HN       PHE  40  -3.739   8.144  -0.059
  259    HA   PHE  40           HA       PHE  40  -6.331   8.573  -1.383
  260    HB2  PHE  40           HB2      PHE  40  -5.674   8.213   1.547
  261    HB3  PHE  40           HB1      PHE  40  -7.272   8.622   0.932
  262    HD1  PHE  40           HD1      PHE  40  -4.718   6.001   1.165
  263    HD2  PHE  40           HD2      PHE  40  -8.652   6.976  -0.133
  264    HE1  PHE  40           HE1      PHE  40  -5.215   3.608   0.883
  265    HE2  PHE  40           HE2      PHE  40  -9.157   4.587  -0.415
  266    HZ   PHE  40           HZ       PHE  40  -7.432   2.898   0.085
  267    HA   PRO  41           HA       PRO  41  -5.831  12.976  -0.846
  268    HB2  PRO  41           HB2      PRO  41  -8.734  13.132  -0.432
  269    HB3  PRO  41           HB1      PRO  41  -7.756  13.808  -1.736
  270    HG2  PRO  41           HG2      PRO  41  -9.433  11.738  -2.128
  271    HG3  PRO  41           HG1      PRO  41  -7.907  11.901  -3.016
  272    HD2  PRO  41           HD2      PRO  41  -8.559  10.165  -0.668
  273    HD3  PRO  41           HD1      PRO  41  -7.592   9.794  -2.111
  274    H    ALA  42           HN       ALA  42  -6.123  14.602   0.757
  275    HA   ALA  42           HA       ALA  42  -5.883  13.597   3.394
  276    HB1  ALA  42           HB1      ALA  42  -6.209  16.453   2.489
  277    HB2  ALA  42           HB2      ALA  42  -4.681  15.579   2.592
  278    HB3  ALA  42           HB3      ALA  42  -5.606  15.912   4.055
  279    H    GLY  43           HN       GLY  43  -8.609  14.295   1.554
  280    HA2  GLY  43           HA2      GLY  43 -10.357  15.055   3.712
  281    HA3  GLY  43           HA1      GLY  43 -10.845  14.548   2.099
  282    H    THR  44           HN       THR  44  -8.914  12.162   2.727
  283    HA   THR  44           HA       THR  44 -10.989  10.480   3.908
  284    HB   THR  44           HB       THR  44  -8.368   9.680   2.618
  285    HG1  THR  44           HG1      THR  44 -10.924   9.391   1.435
  286   HG21  THR  44          HG21      THR  44 -10.829   8.053   3.280
  287   HG22  THR  44          HG22      THR  44  -9.291   7.984   4.139
  288   HG23  THR  44          HG23      THR  44  -9.386   7.459   2.458
  289    H    SER  45           HN       SER  45 -10.771   9.494   5.861
  290    HA   SER  45           HA       SER  45  -8.627  10.450   7.567
  291    HB2  SER  45           HB2      SER  45 -10.103   9.178   9.311
  292    HB3  SER  45           HB1      SER  45 -10.685  10.696   8.626
  293    HG   SER  45           HG       SER  45 -12.065   9.598   7.327
  294    H    ARG  46           HN       ARG  46  -7.080   9.230   8.483
  295    HA   ARG  46           HA       ARG  46  -6.541   6.672   7.272
  296    HB2  ARG  46           HB2      ARG  46  -4.798   8.431   7.697
  297    HB3  ARG  46           HB1      ARG  46  -4.975   8.117   9.417
  298    HG2  ARG  46           HG2      ARG  46  -4.249   5.807   9.066
  299    HG3  ARG  46           HG1      ARG  46  -4.068   6.130   7.341
  300    HD2  ARG  46           HD2      ARG  46  -1.907   6.279   8.380
  301    HD3  ARG  46           HD1      ARG  46  -2.417   7.897   7.900
  302    HE   ARG  46           HE       ARG  46  -3.113   7.289  10.608
  303   HH11  ARG  46          HH11      ARG  46  -0.511   8.374   8.535
  304   HH12  ARG  46          HH12      ARG  46   0.349   9.167   9.813
  305   HH21  ARG  46          HH21      ARG  46  -1.984   8.336  12.297
  306   HH22  ARG  46          HH22      ARG  46  -0.491   9.150  11.953
  307    HA   PRO  47           HA       PRO  47  -8.401   4.344  10.610
  308    HB2  PRO  47           HB2      PRO  47  -7.581   1.898   9.799
  309    HB3  PRO  47           HB1      PRO  47  -8.901   2.766   9.008
  310    HG2  PRO  47           HG2      PRO  47  -6.029   2.531   8.190
  311    HG3  PRO  47           HG1      PRO  47  -7.488   2.407   7.191
  312    HD2  PRO  47           HD2      PRO  47  -5.992   4.656   7.309
  313    HD3  PRO  47           HD1      PRO  47  -7.749   4.691   7.064
  314    H    GLY  48           HN       GLY  48  -7.711   3.661  12.563
  315    HA2  GLY  48           HA2      GLY  48  -4.866   3.827  13.123
  316    HA3  GLY  48           HA1      GLY  48  -6.157   3.653  14.301
  317    H    THR  49           HN       THR  49  -7.336   1.386  12.865
  318    HA   THR  49           HA       THR  49  -5.284  -0.657  13.304
  319    HB   THR  49           HB       THR  49  -8.045  -1.207  14.288
  320    HG1  THR  49           HG1      THR  49  -6.256  -0.098  16.135
  321   HG21  THR  49          HG21      THR  49  -5.294  -1.941  15.275
  322   HG22  THR  49          HG22      THR  49  -6.324  -2.950  14.260
  323   HG23  THR  49          HG23      THR  49  -6.819  -2.562  15.907
  324    H    GLY  50           HN       GLY  50  -5.410  -0.512  10.894
  325    HA2  GLY  50           HA2      GLY  50  -6.340  -2.644   9.637
  326    HA3  GLY  50           HA1      GLY  50  -7.809  -1.683   9.717
  327    H    LEU  51           HN       LEU  51  -4.387  -1.193   8.904
  328    HA   LEU  51           HA       LEU  51  -4.891   0.895   7.058
  329    HB2  LEU  51           HB2      LEU  51  -2.675  -0.196   8.299
  330    HB3  LEU  51           HB1      LEU  51  -2.442  -0.648   6.624
  331    HG   LEU  51           HG       LEU  51  -1.277   1.429   7.156
  332   HD11  LEU  51          HD11      LEU  51  -2.086   1.126   4.890
  333   HD12  LEU  51          HD12      LEU  51  -2.165   2.825   5.360
  334   HD13  LEU  51          HD13      LEU  51  -3.634   1.849   5.330
  335   HD21  LEU  51          HD21      LEU  51  -2.487   3.451   7.725
  336   HD22  LEU  51          HD22      LEU  51  -2.759   2.206   8.943
  337   HD23  LEU  51          HD23      LEU  51  -4.006   2.559   7.748
  338    H    ARG  52           HN       ARG  52  -5.624   0.769   5.041
  339    HA   ARG  52           HA       ARG  52  -5.550  -1.846   3.689
  340    HB2  ARG  52           HB2      ARG  52  -7.637   0.332   3.512
  341    HB3  ARG  52           HB1      ARG  52  -7.616  -1.114   2.515
  342    HG2  ARG  52           HG2      ARG  52  -7.930  -2.502   4.471
  343    HG3  ARG  52           HG1      ARG  52  -7.877  -1.076   5.514
  344    HD2  ARG  52           HD2      ARG  52  -9.845  -0.182   4.311
  345    HD3  ARG  52           HD1      ARG  52  -9.920  -1.675   3.380
  346    HE   ARG  52           HE       ARG  52  -9.956  -2.312   6.110
  347   HH11  ARG  52          HH11      ARG  52 -11.966  -0.769   3.700
  348   HH12  ARG  52          HH12      ARG  52 -13.453  -1.200   4.480
  349   HH21  ARG  52          HH21      ARG  52 -11.916  -2.873   7.148
  350   HH22  ARG  52          HH22      ARG  52 -13.424  -2.391   6.444
  351    H    CYS  53           HN       CYS  53  -4.617  -1.920   1.745
  352    HA   CYS  53           HA       CYS  53  -3.672   0.485   0.477
  353    HB2  CYS  53           HB2      CYS  53  -2.599  -0.932  -1.095
  354    HB3  CYS  53           HB1      CYS  53  -2.484  -1.784   0.442
  355    H    ARG  54           HN       ARG  54  -4.169   0.623  -2.007
  356    HA   ARG  54           HA       ARG  54  -6.770   1.537  -2.224
  357    HB2  ARG  54           HB2      ARG  54  -4.897   2.196  -3.700
  358    HB3  ARG  54           HB1      ARG  54  -4.972   0.622  -4.471
  359    HG2  ARG  54           HG2      ARG  54  -7.238   1.109  -5.248
  360    HG3  ARG  54           HG1      ARG  54  -7.147   2.699  -4.486
  361    HD2  ARG  54           HD2      ARG  54  -5.243   3.273  -5.907
  362    HD3  ARG  54           HD1      ARG  54  -5.327   1.685  -6.666
  363    HE   ARG  54           HE       ARG  54  -7.808   3.055  -6.868
  364   HH11  ARG  54          HH11      ARG  54  -4.579   2.963  -8.207
  365   HH12  ARG  54          HH12      ARG  54  -5.065   3.576  -9.755
  366   HH21  ARG  54          HH21      ARG  54  -8.455   3.872  -8.900
  367   HH22  ARG  54          HH22      ARG  54  -7.276   4.088 -10.151
  368    H    SER  55           HN       SER  55  -5.410  -1.529  -3.359
  369    HA   SER  55           HA       SER  55  -7.718  -2.433  -4.678
  370    HB2  SER  55           HB2      SER  55  -5.482  -4.069  -3.471
  371    HB3  SER  55           HB1      SER  55  -6.607  -4.604  -4.719
  372    HG   SER  55           HG       SER  55  -5.729  -2.608  -5.863
  373    H    CYS  56           HN       CYS  56  -6.547  -3.036  -1.372
  374    HA   CYS  56           HA       CYS  56  -8.655  -4.852  -0.745
  375    HB2  CYS  56           HB2      CYS  56  -6.724  -3.356   1.027
  376    HB3  CYS  56           HB1      CYS  56  -7.875  -4.544   1.621
  377    H    SER  57           HN       SER  57  -8.249  -1.380  -0.470
  378    HA   SER  57           HA       SER  57 -10.624  -1.093   1.161
  379    HB2  SER  57           HB2      SER  57 -10.178   1.362   0.866
  380    HB3  SER  57           HB1      SER  57  -8.831   0.467   1.570
  381    HG   SER  57           HG       SER  57  -8.883   0.719  -1.205
  382    H    GLY  58           HN       GLY  58 -10.362  -2.004  -1.868
  383    HA2  GLY  58           HA2      GLY  58 -11.775  -0.092  -3.393
  384    HA3  GLY  58           HA1      GLY  58 -11.557  -1.784  -3.808
  385    H    ASP  59           HN       ASP  59 -13.612   0.554  -2.260
  386    HA   ASP  59           HA       ASP  59 -15.745  -1.461  -2.043
  387    HB2  ASP  59           HB2      ASP  59 -15.268  -0.147   0.008
  388    HB3  ASP  59           HB1      ASP  59 -15.618   1.333  -0.876
  389    H    VAL  60           HN       VAL  60 -17.229  -1.483  -3.608
  390    HA   VAL  60           HA       VAL  60 -17.266   0.721  -5.505
  391    HB   VAL  60           HB       VAL  60 -17.146  -1.529  -6.428
  392   HG11  VAL  60          HG11      VAL  60 -19.044  -3.079  -6.267
  393   HG12  VAL  60          HG12      VAL  60 -19.814  -1.996  -5.107
  394   HG13  VAL  60          HG13      VAL  60 -18.287  -2.780  -4.703
  395   HG21  VAL  60          HG21      VAL  60 -19.003  -1.386  -8.021
  396   HG22  VAL  60          HG22      VAL  60 -18.247   0.184  -7.747
  397   HG23  VAL  60          HG23      VAL  60 -19.791  -0.197  -6.985
  398    H    THR  61           HN       THR  61 -18.760   2.253  -5.525
  399    HA   THR  61           HA       THR  61 -20.972   2.074  -3.653
  400    HB   THR  61           HB       THR  61 -21.317   4.506  -4.420
  401    HG1  THR  61           HG1      THR  61 -20.001   5.213  -5.912
  402   HG21  THR  61          HG21      THR  61 -18.760   3.706  -3.025
  403   HG22  THR  61          HG22      THR  61 -20.334   3.943  -2.267
  404   HG23  THR  61          HG23      THR  61 -19.485   5.314  -2.981
  405    HA   PRO  62           HA       PRO  62 -23.653   1.004  -7.091
  406    HB2  PRO  62           HB2      PRO  62 -25.872   0.562  -5.621
  407    HB3  PRO  62           HB1      PRO  62 -24.539  -0.594  -5.685
  408    HG2  PRO  62           HG2      PRO  62 -25.211   1.409  -3.573
  409    HG3  PRO  62           HG1      PRO  62 -24.641  -0.260  -3.395
  410    HD2  PRO  62           HD2      PRO  62 -23.028   1.942  -3.160
  411    HD3  PRO  62           HD1      PRO  62 -22.447   0.338  -3.646
  412    H    ALA  63           HN       ALA  63 -25.112   2.130  -8.297
  413    HA   ALA  63           HA       ALA  63 -25.603   4.873  -7.529
  414    HB1  ALA  63           HB1      ALA  63 -24.924   4.346  -9.817
  415    HB2  ALA  63           HB2      ALA  63 -26.511   5.114  -9.788
  416    HB3  ALA  63           HB3      ALA  63 -26.379   3.374 -10.030
  417    HA   PRO  64           HA       PRO  64 -29.606   4.084  -5.789
  418    HB2  PRO  64           HB2      PRO  64 -30.566   6.645  -5.946
  419    HB3  PRO  64           HB1      PRO  64 -29.462   6.082  -4.688
  420    HG2  PRO  64           HG2      PRO  64 -28.866   7.614  -7.184
  421    HG3  PRO  64           HG1      PRO  64 -28.197   7.817  -5.554
  422    HD2  PRO  64           HD2      PRO  64 -26.845   6.552  -7.518
  423    HD3  PRO  64           HD1      PRO  64 -26.704   6.078  -5.814
  424    H    VAL  65           HN       VAL  65 -30.857   2.915  -7.124
  425    HA   VAL  65           HA       VAL  65 -31.781   4.064  -9.641
  426    HB   VAL  65           HB       VAL  65 -32.297   1.299  -8.525
  427   HG11  VAL  65          HG11      VAL  65 -33.925   1.984 -10.197
  428   HG12  VAL  65          HG12      VAL  65 -32.861   0.737 -10.845
  429   HG13  VAL  65          HG13      VAL  65 -32.625   2.422 -11.306
  430   HG21  VAL  65          HG21      VAL  65 -30.537   0.537 -10.042
  431   HG22  VAL  65          HG22      VAL  65 -29.906   1.673  -8.849
  432   HG23  VAL  65          HG23      VAL  65 -30.206   2.208 -10.502
  433    H    GLU  66           HN       GLU  66 -33.371   5.513  -9.204
  434    HA   GLU  66           HA       GLU  66 -35.620   4.579  -7.557
  435    HB2  GLU  66           HB2      GLU  66 -34.442   6.661  -6.795
  436    HB3  GLU  66           HB1      GLU  66 -34.948   7.435  -8.291
  437    HG2  GLU  66           HG2      GLU  66 -37.281   7.132  -7.678
  438    HG3  GLU  66           HG1      GLU  66 -36.798   6.307  -6.199
  Start of MODEL   24
    1    H1   GLY   1           HT1      GLY   1  15.329   6.119   3.317
    2    H2   GLY   1           HT2      GLY   1  16.153   7.583   3.482
    3    H3   GLY   1           HT3      GLY   1  15.127   7.049   4.716
    4    HA2  GLY   1           HA1      GLY   1  17.431   6.701   5.322
    5    HA3  GLY   1           HA2      GLY   1  16.569   5.178   5.161
    6    H    ALA   2           HN       ALA   2  19.466   6.115   4.796
    7    HA   ALA   2           HA       ALA   2  19.946   5.517   1.997
    8    HB1  ALA   2           HB1      ALA   2  21.914   6.059   4.217
    9    HB2  ALA   2           HB2      ALA   2  21.236   7.274   3.133
   10    HB3  ALA   2           HB3      ALA   2  22.271   6.000   2.491
   11    H    MET   3           HN       MET   3  20.399   3.570   1.222
   12    HA   MET   3           HA       MET   3  21.149   1.445   3.123
   13    HB2  MET   3           HB2      MET   3  19.565   1.201   0.556
   14    HB3  MET   3           HB1      MET   3  20.037  -0.140   1.589
   15    HG2  MET   3           HG2      MET   3  18.649   0.678   3.371
   16    HG3  MET   3           HG1      MET   3  18.268   2.134   2.455
   17    HE1  MET   3           HE1      MET   3  17.738  -1.740   2.784
   18    HE2  MET   3           HE2      MET   3  18.517  -1.602   1.207
   19    HE3  MET   3           HE3      MET   3  16.831  -2.105   1.317
   20    H    GLU   4           HN       GLU   4  23.223   0.915   2.883
   21    HA   GLU   4           HA       GLU   4  24.666   1.508   0.475
   22    HB2  GLU   4           HB2      GLU   4  25.470   0.010   2.971
   23    HB3  GLU   4           HB1      GLU   4  26.565   0.373   1.644
   24    HG2  GLU   4           HG2      GLU   4  26.163   2.771   1.995
   25    HG3  GLU   4           HG1      GLU   4  25.125   2.377   3.365
   26    H    GLY   5           HN       GLY   5  22.915  -1.175   1.679
   27    HA2  GLY   5           HA2      GLY   5  23.491  -2.619  -0.782
   28    HA3  GLY   5           HA1      GLY   5  23.872  -3.450   0.720
   29    H    GLN   6           HN       GLN   6  22.123  -4.660  -0.860
   30    HA   GLN   6           HA       GLN   6  20.094  -5.667  -0.881
   31    HB2  GLN   6           HB2      GLN   6  19.698  -4.269   1.773
   32    HB3  GLN   6           HB1      GLN   6  18.692  -5.567   1.147
   33    HG2  GLN   6           HG2      GLN   6  21.630  -5.818   1.745
   34    HG3  GLN   6           HG1      GLN   6  20.339  -6.298   2.842
   35   HE21  GLN   6          HE21      GLN   6  18.628  -7.315   0.745
   36   HE22  GLN   6          HE22      GLN   6  19.330  -8.806   0.220
   37    H    GLN   7           HN       GLN   7  20.531  -2.767  -1.765
   38    HA   GLN   7           HA       GLN   7  17.930  -1.567  -1.450
   39    HB2  GLN   7           HB2      GLN   7  18.843   0.207  -2.955
   40    HB3  GLN   7           HB1      GLN   7  19.797  -0.065  -1.505
   41    HG2  GLN   7           HG2      GLN   7  21.464  -1.242  -2.732
   42    HG3  GLN   7           HG1      GLN   7  20.454  -1.276  -4.176
   43   HE21  GLN   7          HE21      GLN   7  20.232   0.571  -5.405
   44   HE22  GLN   7          HE22      GLN   7  21.289   1.928  -5.243
   45    H    ASN   8           HN       ASN   8  19.498  -3.620  -3.668
   46    HA   ASN   8           HA       ASN   8  17.441  -3.228  -5.710
   47    HB2  ASN   8           HB2      ASN   8  19.897  -5.000  -5.716
   48    HB3  ASN   8           HB1      ASN   8  18.789  -4.800  -7.067
   49   HD21  ASN   8          HD21      ASN   8  18.749  -2.829  -8.181
   50   HD22  ASN   8          HD22      ASN   8  20.061  -1.707  -8.076
   51    H    LEU   9           HN       LEU   9  17.778  -4.830  -2.927
   52    HA   LEU   9           HA       LEU   9  15.967  -6.990  -3.757
   53    HB2  LEU   9           HB2      LEU   9  18.162  -7.152  -1.685
   54    HB3  LEU   9           HB1      LEU   9  16.974  -8.404  -1.986
   55    HG   LEU   9           HG       LEU   9  19.024  -7.459  -3.993
   56   HD11  LEU   9          HD11      LEU   9  20.127  -9.589  -3.564
   57   HD12  LEU   9          HD12      LEU   9  18.946  -9.955  -2.308
   58   HD13  LEU   9          HD13      LEU   9  20.060  -8.602  -2.105
   59   HD21  LEU   9          HD21      LEU   9  18.343  -9.453  -5.246
   60   HD22  LEU   9          HD22      LEU   9  17.008  -8.320  -5.044
   61   HD23  LEU   9          HD23      LEU   9  17.088  -9.772  -4.048
   62    H    ALA  10           HN       ALA  10  15.029  -4.585  -3.016
   63    HA   ALA  10           HA       ALA  10  14.684  -4.232  -0.218
   64    HB1  ALA  10           HB1      ALA  10  13.082  -2.499  -0.852
   65    HB2  ALA  10           HB2      ALA  10  13.120  -3.070  -2.521
   66    HB3  ALA  10           HB3      ALA  10  14.567  -2.371  -1.796
   67    HA   PRO  11           HA       PRO  11  11.434  -7.120   0.538
   68    HB2  PRO  11           HB2      PRO  11  10.395  -6.048   2.796
   69    HB3  PRO  11           HB1      PRO  11  11.965  -6.857   2.758
   70    HG2  PRO  11           HG2      PRO  11  11.339  -3.931   2.669
   71    HG3  PRO  11           HG1      PRO  11  12.576  -4.779   3.615
   72    HD2  PRO  11           HD2      PRO  11  13.150  -3.477   1.316
   73    HD3  PRO  11           HD1      PRO  11  14.015  -4.943   1.821
   74    H    GLY  12           HN       GLY  12  10.820  -4.671  -1.197
   75    HA2  GLY  12           HA2      GLY  12   8.938  -3.857  -2.238
   76    HA3  GLY  12           HA1      GLY  12   8.005  -5.035  -1.329
   77    H    ALA  13           HN       ALA  13  10.045  -2.800   0.336
   78    HA   ALA  13           HA       ALA  13   7.649  -1.550   1.474
   79    HB1  ALA  13           HB1      ALA  13   9.047  -0.982   3.392
   80    HB2  ALA  13           HB2      ALA  13  10.450  -1.686   2.589
   81    HB3  ALA  13           HB3      ALA  13   9.099  -2.714   3.065
   82    H    ARG  14           HN       ARG  14   7.567  -0.209  -0.494
   83    HA   ARG  14           HA       ARG  14   8.918   2.293  -0.071
   84    HB2  ARG  14           HB2      ARG  14  10.603   1.055  -1.355
   85    HB3  ARG  14           HB1      ARG  14   9.417   0.728  -2.609
   86    HG2  ARG  14           HG2      ARG  14   9.296   3.049  -3.186
   87    HG3  ARG  14           HG1      ARG  14  10.319   3.487  -1.816
   88    HD2  ARG  14           HD2      ARG  14  11.589   3.486  -3.899
   89    HD3  ARG  14           HD1      ARG  14  12.174   2.243  -2.794
   90    HE   ARG  14           HE       ARG  14  10.225   1.292  -4.683
   91   HH11  ARG  14          HH11      ARG  14  13.618   1.952  -4.158
   92   HH12  ARG  14          HH12      ARG  14  14.161   0.791  -5.329
   93   HH21  ARG  14          HH21      ARG  14  10.930  -0.233  -6.240
   94   HH22  ARG  14          HH22      ARG  14  12.629  -0.446  -6.520
   95    H    CYS  15           HN       CYS  15   7.597   3.897  -0.580
   96    HA   CYS  15           HA       CYS  15   5.019   3.424  -1.690
   97    HB2  CYS  15           HB2      CYS  15   5.280   5.169  -0.063
   98    HB3  CYS  15           HB1      CYS  15   6.540   5.946  -1.012
   99    H    GLY  16           HN       GLY  16   4.692   3.025  -3.771
  100    HA2  GLY  16           HA2      GLY  16   6.562   3.411  -5.809
  101    HA3  GLY  16           HA1      GLY  16   4.855   3.081  -6.053
  102    H    VAL  17           HN       VAL  17   4.006   5.509  -4.669
  103    HA   VAL  17           HA       VAL  17   3.977   7.258  -6.898
  104    HB   VAL  17           HB       VAL  17   3.201   7.819  -4.026
  105   HG11  VAL  17          HG11      VAL  17   3.571   9.873  -5.298
  106   HG12  VAL  17          HG12      VAL  17   1.860   9.645  -4.935
  107   HG13  VAL  17          HG13      VAL  17   2.472   9.297  -6.552
  108   HG21  VAL  17          HG21      VAL  17   0.922   7.352  -4.756
  109   HG22  VAL  17          HG22      VAL  17   1.962   5.952  -5.012
  110   HG23  VAL  17          HG23      VAL  17   1.508   6.974  -6.375
  111    H    CYS  18           HN       CYS  18   5.895   7.145  -3.947
  112    HA   CYS  18           HA       CYS  18   7.100   9.728  -4.582
  113    HB2  CYS  18           HB2      CYS  18   7.277   7.976  -2.133
  114    HB3  CYS  18           HB1      CYS  18   8.207   9.456  -2.339
  115    H    GLY  19           HN       GLY  19   7.979   6.329  -4.246
  116    HA2  GLY  19           HA2      GLY  19   9.834   5.294  -5.255
  117    HA3  GLY  19           HA1      GLY  19  10.527   6.882  -5.562
  118    H    ASP  20           HN       ASP  20   9.376   6.753  -2.449
  119    HA   ASP  20           HA       ASP  20  12.029   6.046  -1.390
  120    HB2  ASP  20           HB2      ASP  20  10.122   8.190  -0.433
  121    HB3  ASP  20           HB1      ASP  20  11.565   7.692   0.442
  122    H    GLY  21           HN       GLY  21  12.103   5.000   0.627
  123    HA2  GLY  21           HA2      GLY  21   9.599   3.571   1.238
  124    HA3  GLY  21           HA1      GLY  21  11.213   2.931   1.500
  125    H    THR  22           HN       THR  22  10.938   6.184   2.395
  126    HA   THR  22           HA       THR  22  11.231   5.486   5.169
  127    HB   THR  22           HB       THR  22  11.073   8.216   3.872
  128    HG1  THR  22           HG1      THR  22  12.975   6.340   3.841
  129   HG21  THR  22          HG21      THR  22  10.562   8.295   6.264
  130   HG22  THR  22          HG22      THR  22  12.143   9.007   5.939
  131   HG23  THR  22          HG23      THR  22  12.031   7.384   6.616
  132    H    ASP  23           HN       ASP  23   9.715   5.408   6.651
  133    HA   ASP  23           HA       ASP  23   7.742   5.535   7.738
  134    HB2  ASP  23           HB2      ASP  23   8.324   7.976   7.625
  135    HB3  ASP  23           HB1      ASP  23   7.290   8.099   6.205
  136    H    VAL  24           HN       VAL  24   7.612   3.793   5.775
  137    HA   VAL  24           HA       VAL  24   5.265   4.324   4.139
  138    HB   VAL  24           HB       VAL  24   5.652   1.976   3.290
  139   HG11  VAL  24          HG11      VAL  24   6.406   3.963   2.082
  140   HG12  VAL  24          HG12      VAL  24   7.509   2.604   1.866
  141   HG13  VAL  24          HG13      VAL  24   7.933   3.918   2.966
  142   HG21  VAL  24          HG21      VAL  24   6.913   1.117   5.194
  143   HG22  VAL  24          HG22      VAL  24   8.218   2.252   4.852
  144   HG23  VAL  24          HG23      VAL  24   7.842   0.968   3.703
  145    H    LEU  25           HN       LEU  25   3.349   3.287   4.294
  146    HA   LEU  25           HA       LEU  25   2.840   1.800   6.769
  147    HB2  LEU  25           HB2      LEU  25   0.941   3.065   4.780
  148    HB3  LEU  25           HB1      LEU  25   0.458   2.220   6.240
  149    HG   LEU  25           HG       LEU  25   2.158   4.712   6.240
  150   HD11  LEU  25          HD11      LEU  25   0.120   5.880   6.936
  151   HD12  LEU  25          HD12      LEU  25  -0.809   4.408   6.657
  152   HD13  LEU  25          HD13      LEU  25  -0.020   5.221   5.306
  153   HD21  LEU  25          HD21      LEU  25   1.508   4.797   8.612
  154   HD22  LEU  25          HD22      LEU  25   2.422   3.340   8.223
  155   HD23  LEU  25          HD23      LEU  25   0.673   3.255   8.423
  156    H    ARG  26           HN       ARG  26   1.911  -0.255   6.696
  157    HA   ARG  26           HA       ARG  26   2.095  -1.560   4.063
  158    HB2  ARG  26           HB2      ARG  26   2.775  -2.511   6.819
  159    HB3  ARG  26           HB1      ARG  26   2.274  -3.680   5.607
  160    HG2  ARG  26           HG2      ARG  26   4.654  -3.608   5.642
  161    HG3  ARG  26           HG1      ARG  26   4.104  -2.861   4.142
  162    HD2  ARG  26           HD2      ARG  26   5.920  -1.583   5.127
  163    HD3  ARG  26           HD1      ARG  26   4.428  -0.647   5.130
  164    HE   ARG  26           HE       ARG  26   4.228  -1.303   7.528
  165   HH11  ARG  26          HH11      ARG  26   7.363  -1.332   5.978
  166   HH12  ARG  26          HH12      ARG  26   8.232  -0.977   7.434
  167   HH21  ARG  26          HH21      ARG  26   5.361  -0.850   9.447
  168   HH22  ARG  26          HH22      ARG  26   7.090  -0.707   9.413
  169    H    CYS  27           HN       CYS  27   0.394  -2.674   3.301
  170    HA   CYS  27           HA       CYS  27  -2.154  -2.365   4.476
  171    HB2  CYS  27           HB2      CYS  27  -1.527  -2.865   1.996
  172    HB3  CYS  27           HB1      CYS  27  -1.527  -4.563   2.492
  173    H    THR  28           HN       THR  28  -3.279  -3.643   5.859
  174    HA   THR  28           HA       THR  28  -1.774  -5.734   7.189
  175    HB   THR  28           HB       THR  28  -3.733  -5.781   8.749
  176    HG1  THR  28           HG1      THR  28  -5.477  -4.655   8.292
  177   HG21  THR  28          HG21      THR  28  -2.514  -3.060   8.259
  178   HG22  THR  28          HG22      THR  28  -1.785  -4.359   9.201
  179   HG23  THR  28          HG23      THR  28  -3.274  -3.597   9.758
  180    H    HIS  29           HN       HIS  29  -4.146  -5.479   4.765
  181    HA   HIS  29           HA       HIS  29  -5.151  -8.186   5.237
  182    HB2  HIS  29           HB2      HIS  29  -6.090  -6.019   3.353
  183    HB3  HIS  29           HB1      HIS  29  -6.798  -7.627   3.442
  184    HD1  HIS  29           HD1      HIS  29  -8.511  -8.037   5.240
  185    HD2  HIS  29           HD2      HIS  29  -6.500  -4.432   5.722
  186    HE1  HIS  29           HE1      HIS  29  -9.722  -6.826   7.081
  187    HE2  HIS  29           HE2      HIS  29  -8.416  -4.700   7.435
  188    H    CYS  30           HN       CYS  30  -2.936  -6.497   3.262
  189    HA   CYS  30           HA       CYS  30  -2.242  -8.975   1.951
  190    HB2  CYS  30           HB2      CYS  30  -2.467  -8.283  -0.278
  191    HB3  CYS  30           HB1      CYS  30  -3.947  -7.700   0.475
  192    H    ALA  31           HN       ALA  31  -0.381  -7.967   0.168
  193    HA   ALA  31           HA       ALA  31   1.542  -6.764   2.019
  194    HB1  ALA  31           HB1      ALA  31   2.065  -8.387  -0.468
  195    HB2  ALA  31           HB2      ALA  31   2.149  -8.985   1.188
  196    HB3  ALA  31           HB3      ALA  31   3.287  -7.755   0.635
  197    H    ALA  32           HN       ALA  32   1.871  -4.684   1.720
  198    HA   ALA  32           HA       ALA  32   2.652  -3.558  -0.748
  199    HB1  ALA  32           HB1      ALA  32  -0.104  -2.760   0.199
  200    HB2  ALA  32           HB2      ALA  32   0.246  -3.717  -1.241
  201    HB3  ALA  32           HB3      ALA  32   0.786  -2.041  -1.144
  202    H    ALA  33           HN       ALA  33   3.771  -1.723  -0.361
  203    HA   ALA  33           HA       ALA  33   3.429  -0.442   2.272
  204    HB1  ALA  33           HB1      ALA  33   5.524  -1.666   2.228
  205    HB2  ALA  33           HB2      ALA  33   5.836   0.074   2.233
  206    HB3  ALA  33           HB3      ALA  33   5.990  -0.848   0.737
  207    H    PHE  34           HN       PHE  34   2.850   1.605   2.166
  208    HA   PHE  34           HA       PHE  34   3.755   3.366   0.075
  209    HB2  PHE  34           HB2      PHE  34   1.475   3.895  -0.755
  210    HB3  PHE  34           HB1      PHE  34   1.954   2.243  -1.123
  211    HD1  PHE  34           HD2      PHE  34   0.916   0.358   0.036
  212    HD2  PHE  34           HD1      PHE  34  -0.334   4.364   0.754
  213    HE1  PHE  34           HE2      PHE  34  -1.140  -0.475   1.096
  214    HE2  PHE  34           HE1      PHE  34  -2.392   3.535   1.814
  215    HZ   PHE  34           HZ       PHE  34  -2.796   1.113   1.985
  216    H    HIS  35           HN       HIS  35   2.765   5.563   0.360
  217    HA   HIS  35           HA       HIS  35   2.178   6.080   3.180
  218    HB2  HIS  35           HB2      HIS  35   2.552   8.107   0.960
  219    HB3  HIS  35           HB1      HIS  35   2.540   8.423   2.687
  220    HD2  HIS  35           HD2      HIS  35   4.794   6.190   3.567
  221    HE1  HIS  35           HE1      HIS  35   7.209   8.323   0.817
  222    HE2  HIS  35           HE2      HIS  35   7.211   6.891   2.920
  223    H    TRP  36           HN       TRP  36   0.197   6.577   3.842
  224    HA   TRP  36           HA       TRP  36  -2.055   5.951   2.342
  225    HB2  TRP  36           HB2      TRP  36  -2.069   5.899   4.763
  226    HB3  TRP  36           HB1      TRP  36  -1.797   7.635   4.840
  227    HD1  TRP  36           HD1      TRP  36  -3.883   9.184   4.739
  228    HE1  TRP  36           HE1      TRP  36  -6.416   8.774   4.617
  229    HE3  TRP  36           HE3      TRP  36  -3.834   4.178   3.704
  230    HZ2  TRP  36           HZ2      TRP  36  -8.168   6.603   4.142
  231    HZ3  TRP  36           HZ3      TRP  36  -5.982   3.007   3.432
  232    HH2  TRP  36           HH2      TRP  36  -8.104   4.198   3.648
  233    H    ARG  37           HN       ARG  37  -0.509   9.061   2.883
  234    HA   ARG  37           HA       ARG  37  -2.635  10.625   1.801
  235    HB2  ARG  37           HB2      ARG  37   0.278  11.280   2.262
  236    HB3  ARG  37           HB1      ARG  37  -0.953  12.456   1.817
  237    HG2  ARG  37           HG2      ARG  37  -2.133  12.092   3.862
  238    HG3  ARG  37           HG1      ARG  37  -1.069  10.751   4.288
  239    HD2  ARG  37           HD2      ARG  37   0.823  12.306   4.396
  240    HD3  ARG  37           HD1      ARG  37  -0.261  13.641   3.999
  241    HE   ARG  37           HE       ARG  37  -1.447  12.619   6.165
  242   HH11  ARG  37          HH11      ARG  37   1.908  13.392   5.545
  243   HH12  ARG  37          HH12      ARG  37   2.259  13.780   7.199
  244   HH21  ARG  37          HH21      ARG  37  -0.989  13.124   8.348
  245   HH22  ARG  37          HH22      ARG  37   0.605  13.642   8.791
  246    H    CYS  38           HN       CYS  38  -0.243   8.704   0.376
  247    HA   CYS  38           HA       CYS  38  -0.150  10.230  -2.095
  248    HB2  CYS  38           HB2      CYS  38   1.173   7.596  -1.412
  249    HB3  CYS  38           HB1      CYS  38   1.553   8.647  -2.781
  250    H    HIS  39           HN       HIS  39  -1.781   7.529  -0.720
  251    HA   HIS  39           HA       HIS  39  -2.833   6.698  -3.317
  252    HB2  HIS  39           HB2      HIS  39  -2.846   5.525  -0.577
  253    HB3  HIS  39           HB1      HIS  39  -4.182   5.118  -1.649
  254    HD1  HIS  39           HD1      HIS  39  -3.764   2.948  -2.705
  255    HD2  HIS  39           HD2      HIS  39  -0.264   5.134  -2.291
  256    HE1  HIS  39           HE1      HIS  39  -1.948   1.481  -3.634
  257    HE2  HIS  39           HE2      HIS  39   0.097   2.954  -3.630
  258    H    PHE  40           HN       PHE  40  -3.870   8.132  -0.271
  259    HA   PHE  40           HA       PHE  40  -6.405   8.884  -1.570
  260    HB2  PHE  40           HB2      PHE  40  -5.879   8.216   1.335
  261    HB3  PHE  40           HB1      PHE  40  -7.389   8.891   0.732
  262    HD1  PHE  40           HD1      PHE  40  -5.219   5.925   0.757
  263    HD2  PHE  40           HD2      PHE  40  -8.969   7.538  -0.445
  264    HE1  PHE  40           HE1      PHE  40  -6.040   3.655   0.281
  265    HE2  PHE  40           HE2      PHE  40  -9.791   5.271  -0.928
  266    HZ   PHE  40           HZ       PHE  40  -8.327   3.327  -0.563
  267    HA   PRO  41           HA       PRO  41  -4.061  12.683  -0.448
  268    HB2  PRO  41           HB2      PRO  41  -4.170  13.928  -2.806
  269    HB3  PRO  41           HB1      PRO  41  -3.056  12.580  -2.535
  270    HG2  PRO  41           HG2      PRO  41  -5.691  12.610  -3.949
  271    HG3  PRO  41           HG1      PRO  41  -4.195  11.766  -4.387
  272    HD2  PRO  41           HD2      PRO  41  -6.353  10.607  -3.092
  273    HD3  PRO  41           HD1      PRO  41  -4.696   9.974  -3.069
  274    H    ALA  42           HN       ALA  42  -7.188  12.007  -0.743
  275    HA   ALA  42           HA       ALA  42  -8.238  14.679  -1.141
  276    HB1  ALA  42           HB1      ALA  42  -9.649  12.126  -0.375
  277    HB2  ALA  42           HB2      ALA  42  -9.468  12.759  -2.011
  278    HB3  ALA  42           HB3      ALA  42 -10.427  13.644  -0.825
  279    H    GLY  43           HN       GLY  43  -6.686  13.303   1.350
  280    HA2  GLY  43           HA2      GLY  43  -6.483  14.130   3.531
  281    HA3  GLY  43           HA1      GLY  43  -7.990  15.009   3.313
  282    H    THR  44           HN       THR  44  -7.841  11.688   2.447
  283    HA   THR  44           HA       THR  44  -9.985  10.903   4.067
  284    HB   THR  44           HB       THR  44  -7.880   9.041   2.965
  285    HG1  THR  44           HG1      THR  44  -9.877   9.396   1.232
  286   HG21  THR  44          HG21      THR  44  -9.685   8.046   4.323
  287   HG22  THR  44          HG22      THR  44  -9.771   7.535   2.636
  288   HG23  THR  44          HG23      THR  44 -10.878   8.768   3.241
  289    H    SER  45           HN       SER  45 -10.029   9.543   5.926
  290    HA   SER  45           HA       SER  45  -7.831  10.095   7.736
  291    HB2  SER  45           HB2      SER  45 -10.466   8.710   8.285
  292    HB3  SER  45           HB1      SER  45  -9.348   9.364   9.480
  293    HG   SER  45           HG       SER  45  -9.779  11.398   8.027
  294    H    ARG  46           HN       ARG  46  -6.256   8.711   8.100
  295    HA   ARG  46           HA       ARG  46  -6.114   6.148   6.946
  296    HB2  ARG  46           HB2      ARG  46  -4.104   7.410   7.418
  297    HB3  ARG  46           HB1      ARG  46  -4.474   7.436   9.136
  298    HG2  ARG  46           HG2      ARG  46  -4.195   5.007   9.231
  299    HG3  ARG  46           HG1      ARG  46  -3.811   4.991   7.510
  300    HD2  ARG  46           HD2      ARG  46  -1.786   4.907   8.846
  301    HD3  ARG  46           HD1      ARG  46  -1.867   6.407   7.929
  302    HE   ARG  46           HE       ARG  46  -2.708   7.410  10.098
  303   HH11  ARG  46          HH11      ARG  46  -0.614   4.598  10.063
  304   HH12  ARG  46          HH12      ARG  46   0.147   4.994  11.569
  305   HH21  ARG  46          HH21      ARG  46  -1.708   7.923  12.087
  306   HH22  ARG  46          HH22      ARG  46  -0.472   6.879  12.718
  307    HA   PRO  47           HA       PRO  47  -8.561   3.986  10.023
  308    HB2  PRO  47           HB2      PRO  47  -7.567   1.567   8.682
  309    HB3  PRO  47           HB1      PRO  47  -9.227   2.140   8.875
  310    HG2  PRO  47           HG2      PRO  47  -7.961   2.183   6.497
  311    HG3  PRO  47           HG1      PRO  47  -9.153   3.410   6.960
  312    HD2  PRO  47           HD2      PRO  47  -6.168   3.579   6.932
  313    HD3  PRO  47           HD1      PRO  47  -7.377   4.803   6.487
  314    H    GLY  48           HN       GLY  48  -7.975   3.352  11.994
  315    HA2  GLY  48           HA2      GLY  48  -5.178   2.603  12.444
  316    HA3  GLY  48           HA1      GLY  48  -6.318   3.134  13.673
  317    H    THR  49           HN       THR  49  -8.269   1.210  12.236
  318    HA   THR  49           HA       THR  49  -7.513  -1.112  13.843
  319    HB   THR  49           HB       THR  49  -9.891  -1.848  13.338
  320    HG1  THR  49           HG1      THR  49 -10.426  -0.616  11.574
  321   HG21  THR  49          HG21      THR  49  -9.274  -0.801  15.465
  322   HG22  THR  49          HG22      THR  49 -10.888  -0.305  14.957
  323   HG23  THR  49          HG23      THR  49  -9.524   0.794  14.757
  324    H    GLY  50           HN       GLY  50  -6.091  -0.667  11.436
  325    HA2  GLY  50           HA2      GLY  50  -5.376  -2.694  10.178
  326    HA3  GLY  50           HA1      GLY  50  -7.074  -2.894   9.769
  327    H    LEU  51           HN       LEU  51  -4.169  -1.752   8.695
  328    HA   LEU  51           HA       LEU  51  -5.150   0.512   7.194
  329    HB2  LEU  51           HB2      LEU  51  -2.807   0.193   8.229
  330    HB3  LEU  51           HB1      LEU  51  -2.481  -0.846   6.860
  331    HG   LEU  51           HG       LEU  51  -1.615   1.493   6.647
  332   HD11  LEU  51          HD11      LEU  51  -3.636   0.658   4.579
  333   HD12  LEU  51          HD12      LEU  51  -1.959   0.120   4.670
  334   HD13  LEU  51          HD13      LEU  51  -2.325   1.814   4.340
  335   HD21  LEU  51          HD21      LEU  51  -3.154   3.287   6.147
  336   HD22  LEU  51          HD22      LEU  51  -3.501   2.620   7.743
  337   HD23  LEU  51          HD23      LEU  51  -4.528   2.207   6.369
  338    H    ARG  52           HN       ARG  52  -6.059   0.370   5.247
  339    HA   ARG  52           HA       ARG  52  -5.677  -2.111   3.711
  340    HB2  ARG  52           HB2      ARG  52  -8.012  -0.194   3.724
  341    HB3  ARG  52           HB1      ARG  52  -7.843  -1.539   2.610
  342    HG2  ARG  52           HG2      ARG  52  -7.781  -3.055   4.607
  343    HG3  ARG  52           HG1      ARG  52  -8.219  -1.652   5.587
  344    HD2  ARG  52           HD2      ARG  52 -10.236  -1.345   4.220
  345    HD3  ARG  52           HD1      ARG  52  -9.802  -2.767   3.274
  346    HE   ARG  52           HE       ARG  52 -10.181  -3.065   6.163
  347   HH11  ARG  52          HH11      ARG  52 -11.304  -3.676   2.894
  348   HH12  ARG  52          HH12      ARG  52 -12.477  -4.854   3.386
  349   HH21  ARG  52          HH21      ARG  52 -11.739  -4.611   6.808
  350   HH22  ARG  52          HH22      ARG  52 -12.747  -5.362   5.610
  351    H    CYS  53           HN       CYS  53  -5.293  -1.984   1.527
  352    HA   CYS  53           HA       CYS  53  -4.308   0.570   0.533
  353    HB2  CYS  53           HB2      CYS  53  -3.277  -0.704  -1.242
  354    HB3  CYS  53           HB1      CYS  53  -2.943  -1.528   0.281
  355    H    ARG  54           HN       ARG  54  -4.821   0.698  -2.053
  356    HA   ARG  54           HA       ARG  54  -7.525   1.402  -2.148
  357    HB2  ARG  54           HB2      ARG  54  -7.178   1.738  -4.583
  358    HB3  ARG  54           HB1      ARG  54  -5.960   2.514  -3.589
  359    HG2  ARG  54           HG2      ARG  54  -4.637   1.635  -5.210
  360    HG3  ARG  54           HG1      ARG  54  -4.637   0.288  -4.074
  361    HD2  ARG  54           HD2      ARG  54  -6.454  -0.767  -5.348
  362    HD3  ARG  54           HD1      ARG  54  -6.410   0.569  -6.495
  363    HE   ARG  54           HE       ARG  54  -3.852  -0.410  -6.453
  364   HH11  ARG  54          HH11      ARG  54  -7.026  -1.710  -7.138
  365   HH12  ARG  54          HH12      ARG  54  -6.435  -2.938  -8.212
  366   HH21  ARG  54          HH21      ARG  54  -3.068  -2.035  -7.882
  367   HH22  ARG  54          HH22      ARG  54  -4.194  -3.126  -8.629
  368    H    SER  55           HN       SER  55  -5.904  -1.563  -3.063
  369    HA   SER  55           HA       SER  55  -8.078  -2.727  -4.465
  370    HB2  SER  55           HB2      SER  55  -5.873  -4.175  -3.008
  371    HB3  SER  55           HB1      SER  55  -6.803  -4.755  -4.385
  372    HG   SER  55           HG       SER  55  -5.233  -3.946  -5.513
  373    H    CYS  56           HN       CYS  56  -6.868  -3.154  -1.138
  374    HA   CYS  56           HA       CYS  56  -8.946  -4.964  -0.415
  375    HB2  CYS  56           HB2      CYS  56  -7.007  -3.427   1.317
  376    HB3  CYS  56           HB1      CYS  56  -8.069  -4.707   1.892
  377    H    SER  57           HN       SER  57  -8.730  -1.535  -0.526
  378    HA   SER  57           HA       SER  57 -11.099  -1.194   1.135
  379    HB2  SER  57           HB2      SER  57  -9.492   0.836  -0.444
  380    HB3  SER  57           HB1      SER  57 -10.806   1.212   0.671
  381    HG   SER  57           HG       SER  57  -9.454   1.037   2.258
  382    H    GLY  58           HN       GLY  58 -10.517  -2.223  -1.907
  383    HA2  GLY  58           HA2      GLY  58 -12.500  -0.731  -3.358
  384    HA3  GLY  58           HA1      GLY  58 -11.651  -2.164  -3.916
  385    H    ASP  59           HN       ASP  59 -14.411  -0.951  -2.186
  386    HA   ASP  59           HA       ASP  59 -15.472  -3.615  -1.715
  387    HB2  ASP  59           HB2      ASP  59 -17.277  -2.499  -0.543
  388    HB3  ASP  59           HB1      ASP  59 -15.749  -1.795  -0.026
  389    H    VAL  60           HN       VAL  60 -15.339  -1.548  -4.242
  390    HA   VAL  60           HA       VAL  60 -18.040  -1.953  -5.207
  391    HB   VAL  60           HB       VAL  60 -17.218  -0.600  -7.184
  392   HG11  VAL  60          HG11      VAL  60 -18.498   0.389  -5.369
  393   HG12  VAL  60          HG12      VAL  60 -17.267   1.514  -5.937
  394   HG13  VAL  60          HG13      VAL  60 -17.022   0.625  -4.435
  395   HG21  VAL  60          HG21      VAL  60 -14.826  -1.042  -6.957
  396   HG22  VAL  60          HG22      VAL  60 -14.812  -0.207  -5.403
  397   HG23  VAL  60          HG23      VAL  60 -15.156   0.688  -6.883
  398    H    THR  61           HN       THR  61 -17.663  -4.296  -5.210
  399    HA   THR  61           HA       THR  61 -15.896  -5.516  -7.058
  400    HB   THR  61           HB       THR  61 -18.458  -6.642  -5.901
  401    HG1  THR  61           HG1      THR  61 -15.912  -6.181  -4.832
  402   HG21  THR  61          HG21      THR  61 -15.971  -8.018  -6.930
  403   HG22  THR  61          HG22      THR  61 -17.526  -7.955  -7.759
  404   HG23  THR  61          HG23      THR  61 -17.378  -8.812  -6.226
  405    HA   PRO  62           HA       PRO  62 -18.085  -4.338 -10.753
  406    HB2  PRO  62           HB2      PRO  62 -16.822  -6.144 -12.416
  407    HB3  PRO  62           HB1      PRO  62 -16.168  -4.567 -11.967
  408    HG2  PRO  62           HG2      PRO  62 -15.553  -7.264 -10.846
  409    HG3  PRO  62           HG1      PRO  62 -14.458  -5.911 -11.183
  410    HD2  PRO  62           HD2      PRO  62 -15.289  -6.471  -8.691
  411    HD3  PRO  62           HD1      PRO  62 -15.028  -4.800  -9.234
  412    H    ALA  63           HN       ALA  63 -19.882  -5.007 -11.751
  413    HA   ALA  63           HA       ALA  63 -21.150  -7.405 -10.861
  414    HB1  ALA  63           HB1      ALA  63 -22.996  -6.712 -12.322
  415    HB2  ALA  63           HB2      ALA  63 -21.980  -5.437 -12.993
  416    HB3  ALA  63           HB3      ALA  63 -22.445  -5.390 -11.293
  417    HA   PRO  64           HA       PRO  64 -19.677 -10.031 -14.131
  418    HB2  PRO  64           HB2      PRO  64 -21.268 -12.152 -13.710
  419    HB3  PRO  64           HB1      PRO  64 -19.987 -11.712 -12.574
  420    HG2  PRO  64           HG2      PRO  64 -22.924 -11.176 -12.415
  421    HG3  PRO  64           HG1      PRO  64 -21.815 -11.711 -11.141
  422    HD2  PRO  64           HD2      PRO  64 -22.630  -9.116 -11.458
  423    HD3  PRO  64           HD1      PRO  64 -21.091  -9.583 -10.709
  424    H    VAL  65           HN       VAL  65 -21.569  -7.989 -14.861
  425    HA   VAL  65           HA       VAL  65 -23.219  -9.433 -16.831
  426    HB   VAL  65           HB       VAL  65 -23.797  -6.719 -15.622
  427   HG11  VAL  65          HG11      VAL  65 -24.622  -6.952 -17.905
  428   HG12  VAL  65          HG12      VAL  65 -25.955  -6.905 -16.752
  429   HG13  VAL  65          HG13      VAL  65 -25.454  -8.441 -17.461
  430   HG21  VAL  65          HG21      VAL  65 -25.136  -9.373 -15.100
  431   HG22  VAL  65          HG22      VAL  65 -25.667  -7.813 -14.474
  432   HG23  VAL  65          HG23      VAL  65 -24.116  -8.483 -13.970
  433    H    GLU  66           HN       GLU  66 -22.425  -9.203 -18.812
  434    HA   GLU  66           HA       GLU  66 -20.637  -6.985 -19.418
  435    HB2  GLU  66           HB2      GLU  66 -21.472  -9.318 -21.153
  436    HB3  GLU  66           HB1      GLU  66 -20.173  -8.185 -21.492
  437    HG2  GLU  66           HG2      GLU  66 -20.241 -10.074 -19.152
  438    HG3  GLU  66           HG1      GLU  66 -19.397 -10.375 -20.666
  Start of MODEL   25
    1    H1   GLY   1           HT1      GLY   1  13.820  -5.059 -27.094
    2    H2   GLY   1           HT2      GLY   1  14.954  -3.806 -27.158
    3    H3   GLY   1           HT3      GLY   1  13.944  -3.966 -25.813
    4    HA2  GLY   1           HA1      GLY   1  16.023  -5.907 -26.644
    5    HA3  GLY   1           HA2      GLY   1  16.183  -4.748 -25.332
    6    H    ALA   2           HN       ALA   2  16.336  -7.651 -25.225
    7    HA   ALA   2           HA       ALA   2  13.926  -8.577 -23.958
    8    HB1  ALA   2           HB1      ALA   2  16.673  -9.819 -24.073
    9    HB2  ALA   2           HB2      ALA   2  15.346 -10.127 -25.192
   10    HB3  ALA   2           HB3      ALA   2  15.207 -10.615 -23.505
   11    H    MET   3           HN       MET   3  13.612  -7.096 -22.284
   12    HA   MET   3           HA       MET   3  15.629  -6.966 -20.172
   13    HB2  MET   3           HB2      MET   3  12.973  -5.542 -20.449
   14    HB3  MET   3           HB1      MET   3  14.143  -5.266 -19.168
   15    HG2  MET   3           HG2      MET   3  14.640  -4.785 -22.095
   16    HG3  MET   3           HG1      MET   3  14.206  -3.546 -20.921
   17    HE1  MET   3           HE1      MET   3  16.738  -3.331 -22.814
   18    HE2  MET   3           HE2      MET   3  17.962  -2.755 -21.684
   19    HE3  MET   3           HE3      MET   3  16.324  -2.105 -21.615
   20    H    GLU   4           HN       GLU   4  12.387  -8.118 -20.809
   21    HA   GLU   4           HA       GLU   4  11.836  -8.989 -18.160
   22    HB2  GLU   4           HB2      GLU   4  10.084  -8.495 -19.851
   23    HB3  GLU   4           HB1      GLU   4  10.601  -9.902 -20.767
   24    HG2  GLU   4           HG2      GLU   4   8.613 -10.384 -19.461
   25    HG3  GLU   4           HG1      GLU   4   9.982 -11.355 -18.917
   26    H    GLY   5           HN       GLY   5  12.156 -10.958 -17.214
   27    HA2  GLY   5           HA2      GLY   5  12.831 -13.178 -17.021
   28    HA3  GLY   5           HA1      GLY   5  13.142 -13.209 -18.751
   29    H    GLN   6           HN       GLN   6  14.880 -11.082 -18.991
   30    HA   GLN   6           HA       GLN   6  17.353 -12.213 -18.224
   31    HB2  GLN   6           HB2      GLN   6  17.120 -10.813 -20.216
   32    HB3  GLN   6           HB1      GLN   6  16.681  -9.435 -19.219
   33    HG2  GLN   6           HG2      GLN   6  18.960  -9.226 -19.948
   34    HG3  GLN   6           HG1      GLN   6  18.913  -9.476 -18.205
   35   HE21  GLN   6          HE21      GLN   6  19.651 -11.413 -17.347
   36   HE22  GLN   6          HE22      GLN   6  20.648 -12.496 -18.257
   37    H    GLN   7           HN       GLN   7  15.340  -9.669 -16.888
   38    HA   GLN   7           HA       GLN   7  17.254  -9.295 -14.696
   39    HB2  GLN   7           HB2      GLN   7  14.838  -7.633 -15.435
   40    HB3  GLN   7           HB1      GLN   7  15.995  -7.263 -14.166
   41    HG2  GLN   7           HG2      GLN   7  17.759  -7.049 -15.862
   42    HG3  GLN   7           HG1      GLN   7  16.564  -7.369 -17.120
   43   HE21  GLN   7          HE21      GLN   7  15.000  -5.814 -17.571
   44   HE22  GLN   7          HE22      GLN   7  15.176  -4.166 -17.074
   45    H    ASN   8           HN       ASN   8  16.351  -9.107 -12.514
   46    HA   ASN   8           HA       ASN   8  13.884 -10.679 -12.167
   47    HB2  ASN   8           HB2      ASN   8  15.871 -11.977 -11.477
   48    HB3  ASN   8           HB1      ASN   8  16.315 -10.687 -10.363
   49   HD21  ASN   8          HD21      ASN   8  16.169 -11.976  -8.560
   50   HD22  ASN   8          HD22      ASN   8  14.666 -12.553  -7.935
   51    H    LEU   9           HN       LEU   9  12.401  -9.193 -11.669
   52    HA   LEU   9           HA       LEU   9  13.073  -6.772 -10.298
   53    HB2  LEU   9           HB2      LEU   9  10.578  -7.937 -11.442
   54    HB3  LEU   9           HB1      LEU   9  10.443  -6.619 -10.294
   55    HG   LEU   9           HG       LEU   9  11.815  -5.198 -11.754
   56   HD11  LEU   9          HD11      LEU   9  12.352  -5.914 -14.025
   57   HD12  LEU   9          HD12      LEU   9  11.743  -7.527 -13.664
   58   HD13  LEU   9          HD13      LEU   9  13.166  -6.915 -12.824
   59   HD21  LEU   9          HD21      LEU   9   9.398  -5.142 -11.971
   60   HD22  LEU   9          HD22      LEU   9   9.454  -6.473 -13.126
   61   HD23  LEU   9          HD23      LEU   9  10.165  -4.915 -13.543
   62    H    ALA  10           HN       ALA  10  13.568  -6.874  -8.231
   63    HA   ALA  10           HA       ALA  10  12.151  -8.623  -6.407
   64    HB1  ALA  10           HB1      ALA  10  14.566  -8.290  -6.149
   65    HB2  ALA  10           HB2      ALA  10  13.685  -7.756  -4.718
   66    HB3  ALA  10           HB3      ALA  10  14.296  -6.571  -5.871
   67    HA   PRO  11           HA       PRO  11   9.116  -5.459  -5.571
   68    HB2  PRO  11           HB2      PRO  11   8.340  -7.073  -3.258
   69    HB3  PRO  11           HB1      PRO  11   7.419  -6.693  -4.715
   70    HG2  PRO  11           HG2      PRO  11   8.370  -9.167  -4.213
   71    HG3  PRO  11           HG1      PRO  11   8.217  -8.521  -5.856
   72    HD2  PRO  11           HD2      PRO  11  10.654  -8.757  -4.130
   73    HD3  PRO  11           HD1      PRO  11  10.463  -9.074  -5.868
   74    H    GLY  12           HN       GLY  12  10.966  -4.054  -4.879
   75    HA2  GLY  12           HA2      GLY  12  11.708  -3.851  -2.159
   76    HA3  GLY  12           HA1      GLY  12  11.811  -2.558  -3.349
   77    H    ALA  13           HN       ALA  13  10.671  -3.058  -0.440
   78    HA   ALA  13           HA       ALA  13   7.914  -2.305  -0.728
   79    HB1  ALA  13           HB1      ALA  13   8.683  -3.738   1.116
   80    HB2  ALA  13           HB2      ALA  13   7.860  -2.290   1.694
   81    HB3  ALA  13           HB3      ALA  13   9.617  -2.388   1.759
   82    H    ARG  14           HN       ARG  14   8.357  -0.386  -2.023
   83    HA   ARG  14           HA       ARG  14   8.841   1.949  -0.300
   84    HB2  ARG  14           HB2      ARG  14   9.743   1.628  -3.173
   85    HB3  ARG  14           HB1      ARG  14   9.926   3.081  -2.198
   86    HG2  ARG  14           HG2      ARG  14  11.365   1.805  -0.644
   87    HG3  ARG  14           HG1      ARG  14  11.245   0.418  -1.727
   88    HD2  ARG  14           HD2      ARG  14  12.401   3.119  -2.401
   89    HD3  ARG  14           HD1      ARG  14  13.311   1.638  -2.113
   90    HE   ARG  14           HE       ARG  14  11.381   1.405  -4.232
   91   HH11  ARG  14          HH11      ARG  14  14.647   2.379  -3.425
   92   HH12  ARG  14          HH12      ARG  14  15.241   2.178  -5.043
   93   HH21  ARG  14          HH21      ARG  14  12.159   1.156  -6.360
   94   HH22  ARG  14          HH22      ARG  14  13.825   1.493  -6.710
   95    H    CYS  15           HN       CYS  15   7.525   3.705  -0.664
   96    HA   CYS  15           HA       CYS  15   4.998   3.315  -1.854
   97    HB2  CYS  15           HB2      CYS  15   5.238   4.946  -0.100
   98    HB3  CYS  15           HB1      CYS  15   6.483   5.809  -0.993
   99    H    GLY  16           HN       GLY  16   4.805   2.948  -3.979
  100    HA2  GLY  16           HA2      GLY  16   6.665   3.551  -5.948
  101    HA3  GLY  16           HA1      GLY  16   4.976   3.189  -6.251
  102    H    VAL  17           HN       VAL  17   4.013   5.529  -4.779
  103    HA   VAL  17           HA       VAL  17   4.023   7.422  -6.879
  104    HB   VAL  17           HB       VAL  17   3.212   7.807  -3.988
  105   HG11  VAL  17          HG11      VAL  17   3.563   9.941  -5.109
  106   HG12  VAL  17          HG12      VAL  17   1.846   9.665  -4.817
  107   HG13  VAL  17          HG13      VAL  17   2.514   9.432  -6.433
  108   HG21  VAL  17          HG21      VAL  17   1.978   5.999  -5.039
  109   HG22  VAL  17          HG22      VAL  17   1.580   7.038  -6.405
  110   HG23  VAL  17          HG23      VAL  17   0.930   7.398  -4.805
  111    H    CYS  18           HN       CYS  18   5.968   7.072  -3.985
  112    HA   CYS  18           HA       CYS  18   7.175   9.707  -4.449
  113    HB2  CYS  18           HB2      CYS  18   7.224   7.889  -2.038
  114    HB3  CYS  18           HB1      CYS  18   8.140   9.387  -2.155
  115    H    GLY  19           HN       GLY  19   7.968   6.291  -4.184
  116    HA2  GLY  19           HA2      GLY  19   9.821   5.305  -5.302
  117    HA3  GLY  19           HA1      GLY  19  10.634   6.865  -5.276
  118    H    ASP  20           HN       ASP  20   9.420   6.772  -2.335
  119    HA   ASP  20           HA       ASP  20  11.829   5.517  -1.209
  120    HB2  ASP  20           HB2      ASP  20  10.192   7.869  -0.259
  121    HB3  ASP  20           HB1      ASP  20  11.375   7.059   0.764
  122    H    GLY  21           HN       GLY  21  11.680   4.201   0.561
  123    HA2  GLY  21           HA2      GLY  21   8.960   3.354   1.327
  124    HA3  GLY  21           HA1      GLY  21  10.408   2.360   1.468
  125    H    THR  22           HN       THR  22  10.945   5.563   2.286
  126    HA   THR  22           HA       THR  22  11.409   4.976   5.035
  127    HB   THR  22           HB       THR  22  11.328   7.682   3.686
  128    HG1  THR  22           HG1      THR  22  13.785   7.053   3.839
  129   HG21  THR  22          HG21      THR  22  12.880   8.344   5.459
  130   HG22  THR  22          HG22      THR  22  12.790   6.724   6.153
  131   HG23  THR  22          HG23      THR  22  11.362   7.760   6.142
  132    H    ASP  23           HN       ASP  23  10.072   5.178   6.699
  133    HA   ASP  23           HA       ASP  23   8.175   5.495   7.911
  134    HB2  ASP  23           HB2      ASP  23   9.008   7.876   7.641
  135    HB3  ASP  23           HB1      ASP  23   7.841   8.046   6.338
  136    H    VAL  24           HN       VAL  24   7.810   3.762   5.954
  137    HA   VAL  24           HA       VAL  24   5.534   4.585   4.329
  138    HB   VAL  24           HB       VAL  24   7.610   3.333   3.435
  139   HG11  VAL  24          HG11      VAL  24   6.099   0.998   4.574
  140   HG12  VAL  24          HG12      VAL  24   7.692   1.560   5.081
  141   HG13  VAL  24          HG13      VAL  24   7.464   0.901   3.462
  142   HG21  VAL  24          HG21      VAL  24   5.626   3.807   2.125
  143   HG22  VAL  24          HG22      VAL  24   4.858   2.348   2.753
  144   HG23  VAL  24          HG23      VAL  24   6.292   2.222   1.734
  145    H    LEU  25           HN       LEU  25   3.612   3.330   4.226
  146    HA   LEU  25           HA       LEU  25   3.071   1.796   6.673
  147    HB2  LEU  25           HB2      LEU  25   1.213   3.269   4.801
  148    HB3  LEU  25           HB1      LEU  25   0.659   2.227   6.097
  149    HG   LEU  25           HG       LEU  25   2.313   4.726   6.475
  150   HD11  LEU  25          HD11      LEU  25   0.255   5.690   7.383
  151   HD12  LEU  25          HD12      LEU  25  -0.623   4.225   6.944
  152   HD13  LEU  25          HD13      LEU  25   0.072   5.246   5.685
  153   HD21  LEU  25          HD21      LEU  25   1.743   4.429   8.852
  154   HD22  LEU  25          HD22      LEU  25   2.714   3.096   8.226
  155   HD23  LEU  25          HD23      LEU  25   0.978   2.888   8.461
  156    H    ARG  26           HN       ARG  26   2.127  -0.216   6.530
  157    HA   ARG  26           HA       ARG  26   2.203  -1.434   3.853
  158    HB2  ARG  26           HB2      ARG  26   2.823  -2.566   6.573
  159    HB3  ARG  26           HB1      ARG  26   2.415  -3.614   5.225
  160    HG2  ARG  26           HG2      ARG  26   4.773  -3.549   5.357
  161    HG3  ARG  26           HG1      ARG  26   4.320  -2.569   3.964
  162    HD2  ARG  26           HD2      ARG  26   6.081  -1.493   5.258
  163    HD3  ARG  26           HD1      ARG  26   4.597  -0.541   5.294
  164    HE   ARG  26           HE       ARG  26   4.343  -1.944   7.539
  165   HH11  ARG  26          HH11      ARG  26   7.159  -0.292   6.262
  166   HH12  ARG  26          HH12      ARG  26   7.778   0.124   7.827
  167   HH21  ARG  26          HH21      ARG  26   5.158  -1.397   9.594
  168   HH22  ARG  26          HH22      ARG  26   6.654  -0.524   9.719
  169    H    CYS  27           HN       CYS  27   0.517  -2.717   3.196
  170    HA   CYS  27           HA       CYS  27  -2.032  -2.216   4.337
  171    HB2  CYS  27           HB2      CYS  27  -1.490  -2.773   1.889
  172    HB3  CYS  27           HB1      CYS  27  -1.395  -4.463   2.399
  173    H    THR  28           HN       THR  28  -3.285  -3.485   5.689
  174    HA   THR  28           HA       THR  28  -1.864  -5.616   7.074
  175    HB   THR  28           HB       THR  28  -3.833  -5.597   8.609
  176    HG1  THR  28           HG1      THR  28  -5.573  -4.591   7.976
  177   HG21  THR  28          HG21      THR  28  -2.560  -2.899   8.138
  178   HG22  THR  28          HG22      THR  28  -1.842  -4.224   9.055
  179   HG23  THR  28          HG23      THR  28  -3.314  -3.446   9.635
  180    H    HIS  29           HN       HIS  29  -4.213  -5.266   4.622
  181    HA   HIS  29           HA       HIS  29  -5.281  -7.949   5.024
  182    HB2  HIS  29           HB2      HIS  29  -6.014  -5.697   3.178
  183    HB3  HIS  29           HB1      HIS  29  -6.616  -7.326   2.901
  184    HD1  HIS  29           HD1      HIS  29  -8.625  -8.024   4.201
  185    HD2  HIS  29           HD2      HIS  29  -6.887  -4.564   5.708
  186    HE1  HIS  29           HE1      HIS  29 -10.225  -7.170   5.939
  187    HE2  HIS  29           HE2      HIS  29  -9.242  -4.979   6.698
  188    H    CYS  30           HN       CYS  30  -2.956  -6.289   3.098
  189    HA   CYS  30           HA       CYS  30  -2.125  -8.805   1.948
  190    HB2  CYS  30           HB2      CYS  30  -2.267  -8.217  -0.325
  191    HB3  CYS  30           HB1      CYS  30  -3.805  -7.683   0.338
  192    H    ALA  31           HN       ALA  31  -0.151  -7.941   0.282
  193    HA   ALA  31           HA       ALA  31   1.589  -6.528   2.162
  194    HB1  ALA  31           HB1      ALA  31   2.303  -8.782   1.488
  195    HB2  ALA  31           HB2      ALA  31   3.455  -7.544   0.988
  196    HB3  ALA  31           HB3      ALA  31   2.354  -8.250  -0.194
  197    H    ALA  32           HN       ALA  32   2.062  -4.490   1.758
  198    HA   ALA  32           HA       ALA  32   2.726  -3.481  -0.804
  199    HB1  ALA  32           HB1      ALA  32   0.300  -3.615  -1.141
  200    HB2  ALA  32           HB2      ALA  32   0.864  -1.945  -1.134
  201    HB3  ALA  32           HB3      ALA  32   0.048  -2.606   0.283
  202    H    ALA  33           HN       ALA  33   3.893  -1.664  -0.574
  203    HA   ALA  33           HA       ALA  33   3.879  -0.335   2.064
  204    HB1  ALA  33           HB1      ALA  33   6.219   0.177   1.705
  205    HB2  ALA  33           HB2      ALA  33   6.170  -0.607   0.126
  206    HB3  ALA  33           HB3      ALA  33   5.949  -1.561   1.592
  207    H    PHE  34           HN       PHE  34   2.912   1.554   1.951
  208    HA   PHE  34           HA       PHE  34   3.598   3.448  -0.130
  209    HB2  PHE  34           HB2      PHE  34   1.249   3.856  -0.777
  210    HB3  PHE  34           HB1      PHE  34   1.753   2.219  -1.183
  211    HD1  PHE  34           HD2      PHE  34   0.972   0.312   0.197
  212    HD2  PHE  34           HD1      PHE  34  -0.514   4.261   0.750
  213    HE1  PHE  34           HE2      PHE  34  -0.951  -0.589   1.435
  214    HE2  PHE  34           HE1      PHE  34  -2.440   3.367   1.989
  215    HZ   PHE  34           HZ       PHE  34  -2.654   0.938   2.341
  216    H    HIS  35           HN       HIS  35   2.588   5.599   0.348
  217    HA   HIS  35           HA       HIS  35   2.196   5.931   3.233
  218    HB2  HIS  35           HB2      HIS  35   2.508   8.085   1.126
  219    HB3  HIS  35           HB1      HIS  35   2.501   8.322   2.870
  220    HD2  HIS  35           HD2      HIS  35   4.749   6.229   3.796
  221    HE1  HIS  35           HE1      HIS  35   7.170   8.126   0.878
  222    HE2  HIS  35           HE2      HIS  35   7.173   6.837   3.077
  223    H    TRP  36           HN       TRP  36   0.284   6.775   4.066
  224    HA   TRP  36           HA       TRP  36  -2.064   5.952   2.905
  225    HB2  TRP  36           HB2      TRP  36  -1.916   6.479   5.269
  226    HB3  TRP  36           HB1      TRP  36  -1.652   8.180   4.908
  227    HD1  TRP  36           HD1      TRP  36  -3.751   9.672   4.815
  228    HE1  TRP  36           HE1      TRP  36  -6.292   9.259   4.841
  229    HE3  TRP  36           HE3      TRP  36  -3.740   4.578   4.404
  230    HZ2  TRP  36           HZ2      TRP  36  -8.049   7.059   4.701
  231    HZ3  TRP  36           HZ3      TRP  36  -5.897   3.395   4.358
  232    HH2  TRP  36           HH2      TRP  36  -8.005   4.614   4.505
  233    H    ARG  37           HN       ARG  37  -0.783   9.271   2.921
  234    HA   ARG  37           HA       ARG  37  -3.012  10.323   1.484
  235    HB2  ARG  37           HB2      ARG  37  -0.302  11.569   1.950
  236    HB3  ARG  37           HB1      ARG  37  -1.767  12.413   1.466
  237    HG2  ARG  37           HG2      ARG  37  -2.810  11.675   3.608
  238    HG3  ARG  37           HG1      ARG  37  -1.231  11.049   4.090
  239    HD2  ARG  37           HD2      ARG  37  -0.282  13.304   3.816
  240    HD3  ARG  37           HD1      ARG  37  -1.885  13.911   3.401
  241    HE   ARG  37           HE       ARG  37  -1.721  12.556   5.947
  242   HH11  ARG  37          HH11      ARG  37  -1.528  15.623   4.265
  243   HH12  ARG  37          HH12      ARG  37  -1.793  16.565   5.696
  244   HH21  ARG  37          HH21      ARG  37  -2.079  13.795   7.824
  245   HH22  ARG  37          HH22      ARG  37  -2.107  15.525   7.721
  246    H    CYS  38           HN       CYS  38  -0.463   8.488   0.428
  247    HA   CYS  38           HA       CYS  38  -0.219   9.803  -2.154
  248    HB2  CYS  38           HB2      CYS  38   1.118   7.298  -1.116
  249    HB3  CYS  38           HB1      CYS  38   1.522   8.149  -2.607
  250    H    HIS  39           HN       HIS  39  -1.939   7.235  -0.659
  251    HA   HIS  39           HA       HIS  39  -2.857   6.293  -3.296
  252    HB2  HIS  39           HB2      HIS  39  -2.688   4.963  -0.620
  253    HB3  HIS  39           HB1      HIS  39  -3.910   4.428  -1.768
  254    HD1  HIS  39           HD1      HIS  39  -2.892   2.177  -2.284
  255    HD2  HIS  39           HD2      HIS  39  -0.258   5.326  -2.898
  256    HE1  HIS  39           HE1      HIS  39  -0.908   1.167  -3.417
  257    HE2  HIS  39           HE2      HIS  39   0.542   3.142  -4.023
  258    H    PHE  40           HN       PHE  40  -3.823   7.769  -0.309
  259    HA   PHE  40           HA       PHE  40  -6.601   7.898  -1.280
  260    HB2  PHE  40           HB2      PHE  40  -5.611   7.686   1.571
  261    HB3  PHE  40           HB1      PHE  40  -7.286   7.976   1.115
  262    HD1  PHE  40           HD1      PHE  40  -4.563   5.521   1.160
  263    HD2  PHE  40           HD2      PHE  40  -8.671   6.210   0.288
  264    HE1  PHE  40           HE1      PHE  40  -4.938   3.093   1.026
  265    HE2  PHE  40           HE2      PHE  40  -9.053   3.784   0.150
  266    HZ   PHE  40           HZ       PHE  40  -7.192   2.222   0.531
  267    HA   PRO  41           HA       PRO  41  -6.104  12.343  -1.044
  268    HB2  PRO  41           HB2      PRO  41  -9.037  12.315  -0.650
  269    HB3  PRO  41           HB1      PRO  41  -8.081  13.124  -1.894
  270    HG2  PRO  41           HG2      PRO  41  -9.553  10.975  -2.470
  271    HG3  PRO  41           HG1      PRO  41  -7.970  11.237  -3.227
  272    HD2  PRO  41           HD2      PRO  41  -8.713   9.418  -0.968
  273    HD3  PRO  41           HD1      PRO  41  -7.621   9.126  -2.339
  274    H    ALA  42           HN       ALA  42  -6.183  13.901   0.540
  275    HA   ALA  42           HA       ALA  42  -5.897  12.989   3.170
  276    HB1  ALA  42           HB1      ALA  42  -5.601  15.318   3.777
  277    HB2  ALA  42           HB2      ALA  42  -6.284  15.826   2.232
  278    HB3  ALA  42           HB3      ALA  42  -4.749  14.959   2.274
  279    H    GLY  43           HN       GLY  43  -8.712  13.998   1.471
  280    HA2  GLY  43           HA2      GLY  43 -10.325  14.728   3.696
  281    HA3  GLY  43           HA1      GLY  43 -10.909  14.219   2.117
  282    H    THR  44           HN       THR  44  -9.150  11.732   2.568
  283    HA   THR  44           HA       THR  44 -11.181  10.184   3.970
  284    HB   THR  44           HB       THR  44  -8.674   9.164   2.617
  285    HG1  THR  44           HG1      THR  44 -10.335  10.429   1.305
  286   HG21  THR  44          HG21      THR  44  -9.859   7.055   2.511
  287   HG22  THR  44          HG22      THR  44 -11.297   7.791   3.213
  288   HG23  THR  44          HG23      THR  44  -9.837   7.620   4.182
  289    H    SER  45           HN       SER  45 -10.897   9.350   5.977
  290    HA   SER  45           HA       SER  45  -8.614  10.359   7.459
  291    HB2  SER  45           HB2      SER  45 -11.070   8.899   8.456
  292    HB3  SER  45           HB1      SER  45  -9.910   9.798   9.436
  293    HG   SER  45           HG       SER  45 -10.554  11.598   7.861
  294    H    ARG  46           HN       ARG  46  -7.194   9.122   8.631
  295    HA   ARG  46           HA       ARG  46  -6.624   6.550   7.495
  296    HB2  ARG  46           HB2      ARG  46  -4.882   8.230   8.082
  297    HB3  ARG  46           HB1      ARG  46  -5.261   7.980   9.780
  298    HG2  ARG  46           HG2      ARG  46  -4.566   5.655   9.609
  299    HG3  ARG  46           HG1      ARG  46  -4.217   5.879   7.893
  300    HD2  ARG  46           HD2      ARG  46  -2.858   7.233  10.218
  301    HD3  ARG  46           HD1      ARG  46  -2.163   6.020   9.144
  302    HE   ARG  46           HE       ARG  46  -3.087   8.347   7.752
  303   HH11  ARG  46          HH11      ARG  46  -0.418   7.013   9.570
  304   HH12  ARG  46          HH12      ARG  46   0.760   8.066   8.857
  305   HH21  ARG  46          HH21      ARG  46  -1.549   9.747   6.824
  306   HH22  ARG  46          HH22      ARG  46   0.116   9.625   7.297
  307    HA   PRO  47           HA       PRO  47  -8.956   4.289  10.552
  308    HB2  PRO  47           HB2      PRO  47  -8.207   1.813   9.771
  309    HB3  PRO  47           HB1      PRO  47  -9.356   2.787   8.846
  310    HG2  PRO  47           HG2      PRO  47  -6.417   2.399   8.399
  311    HG3  PRO  47           HG1      PRO  47  -7.739   2.351   7.216
  312    HD2  PRO  47           HD2      PRO  47  -6.184   4.529   7.538
  313    HD3  PRO  47           HD1      PRO  47  -7.905   4.653   7.118
  314    H    GLY  48           HN       GLY  48  -8.556   2.811  12.317
  315    HA2  GLY  48           HA2      GLY  48  -5.700   2.620  13.071
  316    HA3  GLY  48           HA1      GLY  48  -6.955   3.032  14.231
  317    H    THR  49           HN       THR  49  -8.116   0.824  12.025
  318    HA   THR  49           HA       THR  49  -7.724  -1.357  13.951
  319    HB   THR  49           HB       THR  49 -10.063  -0.648  13.651
  320    HG1  THR  49           HG1      THR  49  -9.126  -3.195  13.103
  321   HG21  THR  49          HG21      THR  49  -9.664  -1.516  10.792
  322   HG22  THR  49          HG22      THR  49  -9.926   0.134  11.350
  323   HG23  THR  49          HG23      THR  49 -11.205  -1.068  11.523
  324    H    GLY  50           HN       GLY  50  -6.551  -0.302  11.091
  325    HA2  GLY  50           HA2      GLY  50  -5.008  -2.293  10.281
  326    HA3  GLY  50           HA1      GLY  50  -6.564  -2.860   9.695
  327    H    LEU  51           HN       LEU  51  -3.860  -1.344   8.754
  328    HA   LEU  51           HA       LEU  51  -4.957   0.803   7.196
  329    HB2  LEU  51           HB2      LEU  51  -2.522   0.356   8.198
  330    HB3  LEU  51           HB1      LEU  51  -2.275  -0.366   6.623
  331    HG   LEU  51           HG       LEU  51  -1.479   1.942   6.693
  332   HD11  LEU  51          HD11      LEU  51  -3.919   1.626   4.957
  333   HD12  LEU  51          HD12      LEU  51  -2.292   1.061   4.575
  334   HD13  LEU  51          HD13      LEU  51  -2.615   2.790   4.717
  335   HD21  LEU  51          HD21      LEU  51  -3.022   2.796   8.388
  336   HD22  LEU  51          HD22      LEU  51  -4.349   2.691   7.229
  337   HD23  LEU  51          HD23      LEU  51  -3.014   3.806   6.944
  338    H    ARG  52           HN       ARG  52  -5.904   0.601   5.269
  339    HA   ARG  52           HA       ARG  52  -5.494  -1.903   3.776
  340    HB2  ARG  52           HB2      ARG  52  -7.849  -0.010   3.735
  341    HB3  ARG  52           HB1      ARG  52  -7.689  -1.436   2.724
  342    HG2  ARG  52           HG2      ARG  52  -7.697  -2.849   4.714
  343    HG3  ARG  52           HG1      ARG  52  -7.871  -1.412   5.729
  344    HD2  ARG  52           HD2      ARG  52  -9.815  -2.397   3.644
  345    HD3  ARG  52           HD1      ARG  52 -10.033  -2.455   5.392
  346    HE   ARG  52           HE       ARG  52  -9.654   0.181   4.894
  347   HH11  ARG  52          HH11      ARG  52 -11.841  -2.223   3.590
  348   HH12  ARG  52          HH12      ARG  52 -13.092  -1.071   3.235
  349   HH21  ARG  52          HH21      ARG  52 -11.297   1.693   4.419
  350   HH22  ARG  52          HH22      ARG  52 -12.787   1.154   3.712
  351    H    CYS  53           HN       CYS  53  -4.662  -1.806   1.788
  352    HA   CYS  53           HA       CYS  53  -4.028   0.690   0.541
  353    HB2  CYS  53           HB2      CYS  53  -3.033  -0.604  -1.190
  354    HB3  CYS  53           HB1      CYS  53  -2.743  -1.506   0.292
  355    H    ARG  54           HN       ARG  54  -4.855   1.018  -1.884
  356    HA   ARG  54           HA       ARG  54  -7.622   1.492  -1.528
  357    HB2  ARG  54           HB2      ARG  54  -7.643   2.534  -3.646
  358    HB3  ARG  54           HB1      ARG  54  -6.067   2.879  -2.958
  359    HG2  ARG  54           HG2      ARG  54  -5.081   1.133  -4.348
  360    HG3  ARG  54           HG1      ARG  54  -6.664   0.783  -5.035
  361    HD2  ARG  54           HD2      ARG  54  -6.773   3.098  -5.874
  362    HD3  ARG  54           HD1      ARG  54  -5.157   3.387  -5.236
  363    HE   ARG  54           HE       ARG  54  -5.015   1.162  -6.905
  364   HH11  ARG  54          HH11      ARG  54  -5.682   4.585  -7.145
  365   HH12  ARG  54          HH12      ARG  54  -5.124   4.713  -8.783
  366   HH21  ARG  54          HH21      ARG  54  -4.249   1.327  -9.056
  367   HH22  ARG  54          HH22      ARG  54  -4.301   2.858  -9.866
  368    H    SER  55           HN       SER  55  -5.853  -1.081  -3.076
  369    HA   SER  55           HA       SER  55  -7.979  -2.188  -4.551
  370    HB2  SER  55           HB2      SER  55  -5.602  -3.625  -3.361
  371    HB3  SER  55           HB1      SER  55  -6.591  -4.173  -4.713
  372    HG   SER  55           HG       SER  55  -5.905  -2.034  -5.671
  373    H    CYS  56           HN       CYS  56  -6.796  -2.832  -1.263
  374    HA   CYS  56           HA       CYS  56  -8.728  -4.868  -0.742
  375    HB2  CYS  56           HB2      CYS  56  -6.906  -3.301   1.078
  376    HB3  CYS  56           HB1      CYS  56  -7.995  -4.554   1.662
  377    H    SER  57           HN       SER  57  -8.687  -1.386  -0.335
  378    HA   SER  57           HA       SER  57 -10.964  -1.413   1.449
  379    HB2  SER  57           HB2      SER  57 -10.801   1.081   1.242
  380    HB3  SER  57           HB1      SER  57  -9.318   0.308   1.801
  381    HG   SER  57           HG       SER  57  -9.599   1.910  -0.250
  382    H    GLY  58           HN       GLY  58 -10.683  -1.907  -1.769
  383    HA2  GLY  58           HA2      GLY  58 -12.746  -2.246  -3.018
  384    HA3  GLY  58           HA1      GLY  58 -13.357  -0.771  -2.282
  385    H    ASP  59           HN       ASP  59 -11.555  -2.126  -4.865
  386    HA   ASP  59           HA       ASP  59 -10.464   0.447  -5.668
  387    HB2  ASP  59           HB2      ASP  59  -9.056  -1.551  -5.932
  388    HB3  ASP  59           HB1      ASP  59 -10.243  -2.243  -7.032
  389    H    VAL  60           HN       VAL  60 -12.345   1.544  -6.050
  390    HA   VAL  60           HA       VAL  60 -13.360   1.199  -8.737
  391    HB   VAL  60           HB       VAL  60 -14.996  -0.070  -7.431
  392   HG11  VAL  60          HG11      VAL  60 -16.364   1.010  -5.705
  393   HG12  VAL  60          HG12      VAL  60 -15.360   2.455  -5.825
  394   HG13  VAL  60          HG13      VAL  60 -14.661   0.940  -5.252
  395   HG21  VAL  60          HG21      VAL  60 -16.055   2.609  -8.322
  396   HG22  VAL  60          HG22      VAL  60 -17.029   1.167  -8.046
  397   HG23  VAL  60          HG23      VAL  60 -15.824   1.183  -9.333
  398    H    THR  61           HN       THR  61 -13.714   3.162  -9.681
  399    HA   THR  61           HA       THR  61 -12.829   5.481  -8.280
  400    HB   THR  61           HB       THR  61 -13.536   6.670 -10.415
  401    HG1  THR  61           HG1      THR  61 -15.061   5.288 -11.248
  402   HG21  THR  61          HG21      THR  61 -11.641   4.331 -10.636
  403   HG22  THR  61          HG22      THR  61 -11.240   5.939 -10.032
  404   HG23  THR  61          HG23      THR  61 -11.690   5.719 -11.723
  405    HA   PRO  62           HA       PRO  62 -16.924   6.492  -6.754
  406    HB2  PRO  62           HB2      PRO  62 -16.150   8.526  -5.157
  407    HB3  PRO  62           HB1      PRO  62 -15.908   6.835  -4.708
  408    HG2  PRO  62           HG2      PRO  62 -13.954   8.802  -5.811
  409    HG3  PRO  62           HG1      PRO  62 -13.719   7.565  -4.565
  410    HD2  PRO  62           HD2      PRO  62 -12.939   7.289  -7.186
  411    HD3  PRO  62           HD1      PRO  62 -13.296   5.929  -6.105
  412    H    ALA  63           HN       ALA  63 -18.413   7.929  -7.450
  413    HA   ALA  63           HA       ALA  63 -17.831   9.589  -9.648
  414    HB1  ALA  63           HB1      ALA  63 -20.018   8.534  -9.300
  415    HB2  ALA  63           HB2      ALA  63 -20.166  10.279  -9.509
  416    HB3  ALA  63           HB3      ALA  63 -20.291   9.570  -7.898
  417    HA   PRO  64           HA       PRO  64 -16.462  13.172  -7.346
  418    HB2  PRO  64           HB2      PRO  64 -16.045  14.784  -9.472
  419    HB3  PRO  64           HB1      PRO  64 -14.945  13.465  -9.056
  420    HG2  PRO  64           HG2      PRO  64 -17.112  13.542 -11.120
  421    HG3  PRO  64           HG1      PRO  64 -15.469  12.885 -11.248
  422    HD2  PRO  64           HD2      PRO  64 -17.652  11.333 -10.805
  423    HD3  PRO  64           HD1      PRO  64 -16.037  10.924 -10.194
  424    H    VAL  65           HN       VAL  65 -18.947  12.995  -6.804
  425    HA   VAL  65           HA       VAL  65 -20.310  15.354  -7.929
  426    HB   VAL  65           HB       VAL  65 -22.438  14.272  -7.248
  427   HG11  VAL  65          HG11      VAL  65 -22.498  12.623  -9.041
  428   HG12  VAL  65          HG12      VAL  65 -20.736  12.592  -9.085
  429   HG13  VAL  65          HG13      VAL  65 -21.602  14.058  -9.542
  430   HG21  VAL  65          HG21      VAL  65 -22.447  11.889  -6.670
  431   HG22  VAL  65          HG22      VAL  65 -21.583  12.844  -5.465
  432   HG23  VAL  65          HG23      VAL  65 -20.684  11.891  -6.647
  433    H    GLU  66           HN       GLU  66 -18.421  14.928  -5.563
  434    HA   GLU  66           HA       GLU  66 -20.114  16.258  -3.575
  435    HB2  GLU  66           HB2      GLU  66 -18.745  14.997  -1.816
  436    HB3  GLU  66           HB1      GLU  66 -19.975  14.088  -2.681
  437    HG2  GLU  66           HG2      GLU  66 -18.207  13.222  -4.185
  438    HG3  GLU  66           HG1      GLU  66 -17.011  14.046  -3.189
  Start of MODEL   26
    1    H1   GLY   1           HT1      GLY   1  35.012   6.213  -4.074
    2    H2   GLY   1           HT2      GLY   1  34.767   4.583  -4.442
    3    H3   GLY   1           HT3      GLY   1  35.015   5.057  -2.840
    4    HA2  GLY   1           HA1      GLY   1  32.943   6.306  -2.866
    5    HA3  GLY   1           HA2      GLY   1  32.681   5.773  -4.521
    6    H    ALA   2           HN       ALA   2  30.769   5.259  -2.674
    7    HA   ALA   2           HA       ALA   2  30.949   2.341  -2.445
    8    HB1  ALA   2           HB1      ALA   2  29.874   4.143  -0.280
    9    HB2  ALA   2           HB2      ALA   2  31.414   3.286  -0.229
   10    HB3  ALA   2           HB3      ALA   2  29.901   2.380  -0.253
   11    H    MET   3           HN       MET   3  29.677   2.305  -4.347
   12    HA   MET   3           HA       MET   3  27.107   3.579  -4.434
   13    HB2  MET   3           HB2      MET   3  28.422   3.122  -6.475
   14    HB3  MET   3           HB1      MET   3  28.256   1.397  -6.187
   15    HG2  MET   3           HG2      MET   3  26.697   2.076  -7.873
   16    HG3  MET   3           HG1      MET   3  25.815   1.618  -6.418
   17    HE1  MET   3           HE1      MET   3  23.633   4.491  -7.994
   18    HE2  MET   3           HE2      MET   3  23.648   2.816  -7.446
   19    HE3  MET   3           HE3      MET   3  24.578   3.287  -8.869
   20    H    GLU   4           HN       GLU   4  28.119   0.162  -4.350
   21    HA   GLU   4           HA       GLU   4  25.516  -0.838  -3.873
   22    HB2  GLU   4           HB2      GLU   4  27.408  -2.155  -4.834
   23    HB3  GLU   4           HB1      GLU   4  28.155  -2.172  -3.243
   24    HG2  GLU   4           HG2      GLU   4  26.191  -3.359  -2.361
   25    HG3  GLU   4           HG1      GLU   4  25.507  -3.392  -3.986
   26    H    GLY   5           HN       GLY   5  28.073   0.290  -1.798
   27    HA2  GLY   5           HA2      GLY   5  27.218  -0.791   0.649
   28    HA3  GLY   5           HA1      GLY   5  28.163   0.678   0.459
   29    H    GLN   6           HN       GLN   6  25.991   1.886  -1.210
   30    HA   GLN   6           HA       GLN   6  24.342   2.770   1.041
   31    HB2  GLN   6           HB2      GLN   6  24.867   3.976  -1.675
   32    HB3  GLN   6           HB1      GLN   6  23.695   4.630  -0.539
   33    HG2  GLN   6           HG2      GLN   6  26.649   4.327  -0.038
   34    HG3  GLN   6           HG1      GLN   6  25.817   5.826  -0.450
   35   HE21  GLN   6          HE21      GLN   6  27.387   5.120   1.922
   36   HE22  GLN   6          HE22      GLN   6  26.338   5.369   3.273
   37    H    GLN   7           HN       GLN   7  24.112   0.404  -1.097
   38    HA   GLN   7           HA       GLN   7  21.368   0.894  -1.953
   39    HB2  GLN   7           HB2      GLN   7  23.277  -1.368  -2.551
   40    HB3  GLN   7           HB1      GLN   7  21.628  -1.285  -3.155
   41    HG2  GLN   7           HG2      GLN   7  22.155   0.763  -4.352
   42    HG3  GLN   7           HG1      GLN   7  23.800   0.721  -3.720
   43   HE21  GLN   7          HE21      GLN   7  22.062  -2.139  -4.704
   44   HE22  GLN   7          HE22      GLN   7  23.015  -2.473  -6.104
   45    H    ASN   8           HN       ASN   8  21.945   0.566   0.854
   46    HA   ASN   8           HA       ASN   8  20.979  -2.045   1.609
   47    HB2  ASN   8           HB2      ASN   8  21.019  -1.160   3.904
   48    HB3  ASN   8           HB1      ASN   8  22.538  -0.843   3.073
   49   HD21  ASN   8          HD21      ASN   8  19.723   0.528   4.515
   50   HD22  ASN   8          HD22      ASN   8  20.220   2.182   4.410
   51    H    LEU   9           HN       LEU   9  19.590   0.736   0.435
   52    HA   LEU   9           HA       LEU   9  16.983   0.160   1.656
   53    HB2  LEU   9           HB2      LEU   9  17.859   2.523  -0.012
   54    HB3  LEU   9           HB1      LEU   9  16.281   2.322   0.721
   55    HG   LEU   9           HG       LEU   9  18.880   2.636   2.226
   56   HD11  LEU   9          HD11      LEU   9  17.996   4.826   2.844
   57   HD12  LEU   9          HD12      LEU   9  16.587   4.551   1.820
   58   HD13  LEU   9          HD13      LEU   9  18.191   4.686   1.098
   59   HD21  LEU   9          HD21      LEU   9  17.429   2.861   4.200
   60   HD22  LEU   9          HD22      LEU   9  17.299   1.265   3.458
   61   HD23  LEU   9          HD23      LEU   9  16.029   2.463   3.200
   62    H    ALA  10           HN       ALA  10  16.814  -1.787   0.365
   63    HA   ALA  10           HA       ALA  10  16.938  -1.790  -2.455
   64    HB1  ALA  10           HB1      ALA  10  17.148  -3.829  -1.122
   65    HB2  ALA  10           HB2      ALA  10  15.848  -3.975  -2.305
   66    HB3  ALA  10           HB3      ALA  10  15.467  -3.671  -0.612
   67    HA   PRO  11           HA       PRO  11  13.027   0.250  -3.222
   68    HB2  PRO  11           HB2      PRO  11  13.078   0.037  -5.924
   69    HB3  PRO  11           HB1      PRO  11  14.046   1.218  -5.035
   70    HG2  PRO  11           HG2      PRO  11  14.860  -1.418  -6.183
   71    HG3  PRO  11           HG1      PRO  11  15.733   0.124  -6.190
   72    HD2  PRO  11           HD2      PRO  11  16.289  -1.894  -4.452
   73    HD3  PRO  11           HD1      PRO  11  16.542  -0.181  -4.064
   74    H    GLY  12           HN       GLY  12  13.266  -2.748  -2.717
   75    HA2  GLY  12           HA2      GLY  12  11.374  -3.923  -4.566
   76    HA3  GLY  12           HA1      GLY  12  12.078  -4.699  -3.153
   77    H    ALA  13           HN       ALA  13  11.384  -2.862  -1.193
   78    HA   ALA  13           HA       ALA  13   8.439  -2.873  -1.286
   79    HB1  ALA  13           HB1      ALA  13   9.346  -4.430   0.387
   80    HB2  ALA  13           HB2      ALA  13   8.442  -3.114   1.135
   81    HB3  ALA  13           HB3      ALA  13  10.206  -3.095   1.152
   82    H    ARG  14           HN       ARG  14   8.722  -0.803  -2.369
   83    HA   ARG  14           HA       ARG  14   9.133   1.380  -0.445
   84    HB2  ARG  14           HB2      ARG  14  11.146   1.114  -1.872
   85    HB3  ARG  14           HB1      ARG  14  10.143   1.319  -3.299
   86    HG2  ARG  14           HG2      ARG  14   9.538   3.586  -2.455
   87    HG3  ARG  14           HG1      ARG  14  10.731   3.364  -1.173
   88    HD2  ARG  14           HD2      ARG  14  11.755   4.605  -2.946
   89    HD3  ARG  14           HD1      ARG  14  12.452   2.986  -2.934
   90    HE   ARG  14           HE       ARG  14  10.351   2.898  -4.718
   91   HH11  ARG  14          HH11      ARG  14  13.360   4.660  -4.408
   92   HH12  ARG  14          HH12      ARG  14  13.546   4.893  -6.117
   93   HH21  ARG  14          HH21      ARG  14  10.591   3.197  -6.966
   94   HH22  ARG  14          HH22      ARG  14  11.974   4.053  -7.574
   95    H    CYS  15           HN       CYS  15   7.772   3.149  -0.734
   96    HA   CYS  15           HA       CYS  15   5.359   2.732  -2.192
   97    HB2  CYS  15           HB2      CYS  15   5.316   4.014  -0.145
   98    HB3  CYS  15           HB1      CYS  15   6.516   5.136  -0.762
   99    H    GLY  16           HN       GLY  16   5.496   2.667  -4.348
  100    HA2  GLY  16           HA2      GLY  16   7.473   4.193  -5.784
  101    HA3  GLY  16           HA1      GLY  16   6.321   3.063  -6.475
  102    H    VAL  17           HN       VAL  17   4.590   5.078  -4.568
  103    HA   VAL  17           HA       VAL  17   3.530   6.536  -6.798
  104    HB   VAL  17           HB       VAL  17   2.945   6.935  -3.863
  105   HG11  VAL  17          HG11      VAL  17   2.166   8.762  -5.260
  106   HG12  VAL  17          HG12      VAL  17   0.796   7.816  -4.673
  107   HG13  VAL  17          HG13      VAL  17   1.359   7.621  -6.332
  108   HG21  VAL  17          HG21      VAL  17   2.567   4.615  -4.431
  109   HG22  VAL  17          HG22      VAL  17   1.619   5.088  -5.842
  110   HG23  VAL  17          HG23      VAL  17   1.021   5.438  -4.220
  111    H    CYS  18           HN       CYS  18   5.803   7.124  -4.234
  112    HA   CYS  18           HA       CYS  18   6.172   9.864  -5.243
  113    HB2  CYS  18           HB2      CYS  18   6.851  10.542  -2.987
  114    HB3  CYS  18           HB1      CYS  18   5.208   9.905  -2.988
  115    H    GLY  19           HN       GLY  19   7.664   6.943  -3.981
  116    HA2  GLY  19           HA2      GLY  19   9.749   6.202  -4.963
  117    HA3  GLY  19           HA1      GLY  19  10.242   7.887  -5.048
  118    H    ASP  20           HN       ASP  20   8.681   7.495  -2.157
  119    HA   ASP  20           HA       ASP  20  11.244   7.062  -0.774
  120    HB2  ASP  20           HB2      ASP  20   8.777   8.600   0.018
  121    HB3  ASP  20           HB1      ASP  20   9.998   8.135   1.197
  122    H    GLY  21           HN       GLY  21  11.474   5.529   0.754
  123    HA2  GLY  21           HA2      GLY  21   9.147   3.784   1.268
  124    HA3  GLY  21           HA1      GLY  21  10.828   3.271   1.350
  125    H    THR  22           HN       THR  22  10.852   6.230   2.638
  126    HA   THR  22           HA       THR  22  11.050   5.299   5.333
  127    HB   THR  22           HB       THR  22  10.989   8.153   4.331
  128    HG1  THR  22           HG1      THR  22  12.822   6.170   3.988
  129   HG21  THR  22          HG21      THR  22  12.312   8.624   6.344
  130   HG22  THR  22          HG22      THR  22  12.188   6.931   6.821
  131   HG23  THR  22          HG23      THR  22  10.740   7.937   6.758
  132    H    ASP  23           HN       ASP  23   9.575   5.451   6.957
  133    HA   ASP  23           HA       ASP  23   7.553   5.620   7.982
  134    HB2  ASP  23           HB2      ASP  23   7.499   8.113   6.289
  135    HB3  ASP  23           HB1      ASP  23   6.129   7.672   7.303
  136    H    VAL  24           HN       VAL  24   7.692   3.808   5.927
  137    HA   VAL  24           HA       VAL  24   5.465   4.267   4.129
  138    HB   VAL  24           HB       VAL  24   7.714   3.224   3.466
  139   HG11  VAL  24          HG11      VAL  24   7.909   1.570   5.208
  140   HG12  VAL  24          HG12      VAL  24   7.850   0.785   3.629
  141   HG13  VAL  24          HG13      VAL  24   6.422   0.790   4.667
  142   HG21  VAL  24          HG21      VAL  24   6.704   1.914   1.729
  143   HG22  VAL  24          HG22      VAL  24   5.747   3.365   2.020
  144   HG23  VAL  24          HG23      VAL  24   5.199   1.808   2.643
  145    H    LEU  25           HN       LEU  25   3.634   2.970   3.993
  146    HA   LEU  25           HA       LEU  25   2.991   1.584   6.498
  147    HB2  LEU  25           HB2      LEU  25   1.127   2.735   4.421
  148    HB3  LEU  25           HB1      LEU  25   0.654   2.023   5.952
  149    HG   LEU  25           HG       LEU  25   2.243   4.567   5.606
  150   HD11  LEU  25          HD11      LEU  25  -0.109   4.787   4.978
  151   HD12  LEU  25          HD12      LEU  25   0.257   5.672   6.458
  152   HD13  LEU  25          HD13      LEU  25  -0.587   4.125   6.541
  153   HD21  LEU  25          HD21      LEU  25   1.935   4.813   8.031
  154   HD22  LEU  25          HD22      LEU  25   2.908   3.403   7.619
  155   HD23  LEU  25          HD23      LEU  25   1.221   3.201   8.091
  156    H    ARG  26           HN       ARG  26   1.566  -0.271   6.336
  157    HA   ARG  26           HA       ARG  26   1.970  -1.820   3.858
  158    HB2  ARG  26           HB2      ARG  26   2.011  -2.940   6.667
  159    HB3  ARG  26           HB1      ARG  26   2.395  -3.790   5.178
  160    HG2  ARG  26           HG2      ARG  26   4.000  -1.526   6.343
  161    HG3  ARG  26           HG1      ARG  26   4.384  -3.240   6.501
  162    HD2  ARG  26           HD2      ARG  26   4.565  -3.407   4.062
  163    HD3  ARG  26           HD1      ARG  26   4.213  -1.687   3.924
  164    HE   ARG  26           HE       ARG  26   6.312  -1.444   5.369
  165   HH11  ARG  26          HH11      ARG  26   5.824  -4.010   3.043
  166   HH12  ARG  26          HH12      ARG  26   7.511  -4.187   2.694
  167   HH21  ARG  26          HH21      ARG  26   8.539  -1.673   4.918
  168   HH22  ARG  26          HH22      ARG  26   9.058  -2.854   3.758
  169    H    CYS  27           HN       CYS  27   0.179  -3.035   3.189
  170    HA   CYS  27           HA       CYS  27  -2.327  -2.497   4.445
  171    HB2  CYS  27           HB2      CYS  27  -2.146  -3.066   1.992
  172    HB3  CYS  27           HB1      CYS  27  -1.790  -4.742   2.452
  173    H    THR  28           HN       THR  28  -3.597  -3.843   5.725
  174    HA   THR  28           HA       THR  28  -2.140  -5.802   7.271
  175    HB   THR  28           HB       THR  28  -4.319  -5.990   8.532
  176    HG1  THR  28           HG1      THR  28  -5.967  -4.603   7.996
  177   HG21  THR  28          HG21      THR  28  -4.082  -3.837   9.625
  178   HG22  THR  28          HG22      THR  28  -3.211  -3.195   8.236
  179   HG23  THR  28          HG23      THR  28  -2.491  -4.470   9.218
  180    H    HIS  29           HN       HIS  29  -4.457  -5.748   4.701
  181    HA   HIS  29           HA       HIS  29  -4.973  -8.618   4.992
  182    HB2  HIS  29           HB2      HIS  29  -6.287  -6.467   3.339
  183    HB3  HIS  29           HB1      HIS  29  -6.611  -8.176   3.074
  184    HD1  HIS  29           HD1      HIS  29  -8.775  -8.764   4.107
  185    HD2  HIS  29           HD2      HIS  29  -6.665  -6.019   6.411
  186    HE1  HIS  29           HE1      HIS  29 -10.202  -8.342   6.133
  187    HE2  HIS  29           HE2      HIS  29  -8.953  -6.606   7.463
  188    H    CYS  30           HN       CYS  30  -2.929  -6.530   3.338
  189    HA   CYS  30           HA       CYS  30  -2.171  -8.673   1.490
  190    HB2  CYS  30           HB2      CYS  30  -2.189  -5.820   0.552
  191    HB3  CYS  30           HB1      CYS  30  -2.077  -7.290  -0.405
  192    H    ALA  31           HN       ALA  31  -0.044  -8.077   0.437
  193    HA   ALA  31           HA       ALA  31   1.708  -6.755   2.373
  194    HB1  ALA  31           HB1      ALA  31   2.316  -9.066   1.900
  195    HB2  ALA  31           HB2      ALA  31   3.544  -7.969   1.271
  196    HB3  ALA  31           HB3      ALA  31   2.381  -8.710   0.175
  197    H    ALA  32           HN       ALA  32   2.131  -4.708   1.864
  198    HA   ALA  32           HA       ALA  32   3.152  -3.977  -0.696
  199    HB1  ALA  32           HB1      ALA  32   0.435  -2.882   0.044
  200    HB2  ALA  32           HB2      ALA  32   0.766  -4.018  -1.263
  201    HB3  ALA  32           HB3      ALA  32   1.416  -2.379  -1.333
  202    H    ALA  33           HN       ALA  33   4.454  -2.287  -0.478
  203    HA   ALA  33           HA       ALA  33   4.353  -0.707   1.995
  204    HB1  ALA  33           HB1      ALA  33   6.484  -1.800   1.434
  205    HB2  ALA  33           HB2      ALA  33   6.625  -0.045   1.452
  206    HB3  ALA  33           HB3      ALA  33   6.532  -0.905  -0.083
  207    H    PHE  34           HN       PHE  34   3.214   1.091   1.846
  208    HA   PHE  34           HA       PHE  34   3.611   2.909  -0.368
  209    HB2  PHE  34           HB2      PHE  34   1.217   3.047  -0.938
  210    HB3  PHE  34           HB1      PHE  34   1.869   1.447  -1.267
  211    HD1  PHE  34           HD2      PHE  34   1.289  -0.451   0.198
  212    HD2  PHE  34           HD1      PHE  34  -0.504   3.379   0.667
  213    HE1  PHE  34           HE2      PHE  34  -0.498  -1.458   1.554
  214    HE2  PHE  34           HE1      PHE  34  -2.292   2.380   2.026
  215    HZ   PHE  34           HZ       PHE  34  -2.300  -0.056   2.450
  216    H    HIS  35           HN       HIS  35   2.465   4.980   0.020
  217    HA   HIS  35           HA       HIS  35   2.061   5.435   2.895
  218    HB2  HIS  35           HB2      HIS  35   2.597   7.407   0.660
  219    HB3  HIS  35           HB1      HIS  35   2.296   7.853   2.332
  220    HD2  HIS  35           HD2      HIS  35   4.339   5.724   3.748
  221    HE1  HIS  35           HE1      HIS  35   7.209   7.648   1.300
  222    HE2  HIS  35           HE2      HIS  35   6.842   6.379   3.473
  223    H    TRP  36           HN       TRP  36   0.168   6.172   3.662
  224    HA   TRP  36           HA       TRP  36  -2.205   5.826   2.177
  225    HB2  TRP  36           HB2      TRP  36  -2.015   5.653   4.667
  226    HB3  TRP  36           HB1      TRP  36  -1.817   7.399   4.739
  227    HD1  TRP  36           HD1      TRP  36  -3.994   8.893   4.434
  228    HE1  TRP  36           HE1      TRP  36  -6.505   8.335   4.475
  229    HE3  TRP  36           HE3      TRP  36  -3.699   3.809   4.023
  230    HZ2  TRP  36           HZ2      TRP  36  -8.143   6.035   4.347
  231    HZ3  TRP  36           HZ3      TRP  36  -5.783   2.502   3.994
  232    HH2  TRP  36           HH2      TRP  36  -7.958   3.594   4.154
  233    H    ARG  37           HN       ARG  37  -0.185   8.591   2.894
  234    HA   ARG  37           HA       ARG  37  -2.040  10.533   1.890
  235    HB2  ARG  37           HB2      ARG  37   0.925  10.792   2.406
  236    HB3  ARG  37           HB1      ARG  37  -0.198  12.120   2.161
  237    HG2  ARG  37           HG2      ARG  37  -1.380  11.515   4.203
  238    HG3  ARG  37           HG1      ARG  37  -0.284  10.154   4.439
  239    HD2  ARG  37           HD2      ARG  37   0.459  13.076   4.424
  240    HD3  ARG  37           HD1      ARG  37   0.381  12.021   5.833
  241    HE   ARG  37           HE       ARG  37   2.151  10.879   3.999
  242   HH11  ARG  37          HH11      ARG  37   1.928  13.708   6.049
  243   HH12  ARG  37          HH12      ARG  37   3.642  13.877   6.214
  244   HH21  ARG  37          HH21      ARG  37   4.403  11.098   4.215
  245   HH22  ARG  37          HH22      ARG  37   5.057  12.405   5.153
  246    H    CYS  38           HN       CYS  38   0.179   8.389   0.457
  247    HA   CYS  38           HA       CYS  38   0.377   9.942  -2.000
  248    HB2  CYS  38           HB2      CYS  38   1.553   7.286  -1.173
  249    HB3  CYS  38           HB1      CYS  38   1.722   7.954  -2.792
  250    H    HIS  39           HN       HIS  39  -1.492   7.446  -0.595
  251    HA   HIS  39           HA       HIS  39  -2.532   6.524  -3.162
  252    HB2  HIS  39           HB2      HIS  39  -2.596   5.528  -0.370
  253    HB3  HIS  39           HB1      HIS  39  -3.987   5.148  -1.375
  254    HD1  HIS  39           HD1      HIS  39  -3.752   2.863  -2.208
  255    HD2  HIS  39           HD2      HIS  39  -0.108   4.861  -2.182
  256    HE1  HIS  39           HE1      HIS  39  -2.071   1.205  -3.076
  257    HE2  HIS  39           HE2      HIS  39   0.093   2.500  -3.223
  258    H    PHE  40           HN       PHE  40  -3.571   8.237  -0.266
  259    HA   PHE  40           HA       PHE  40  -6.204   8.643  -1.515
  260    HB2  PHE  40           HB2      PHE  40  -5.535   8.325   1.417
  261    HB3  PHE  40           HB1      PHE  40  -7.135   8.688   0.779
  262    HD1  PHE  40           HD1      PHE  40  -4.555   6.121   1.148
  263    HD2  PHE  40           HD2      PHE  40  -8.459   6.996  -0.294
  264    HE1  PHE  40           HE1      PHE  40  -5.012   3.716   0.928
  265    HE2  PHE  40           HE2      PHE  40  -8.923   4.592  -0.514
  266    HZ   PHE  40           HZ       PHE  40  -7.183   2.948   0.090
  267    HA   PRO  41           HA       PRO  41  -5.572  13.035  -1.047
  268    HB2  PRO  41           HB2      PRO  41  -8.485  13.204  -0.643
  269    HB3  PRO  41           HB1      PRO  41  -7.489  13.908  -1.919
  270    HG2  PRO  41           HG2      PRO  41  -9.151  11.856  -2.395
  271    HG3  PRO  41           HG1      PRO  41  -7.594  12.013  -3.228
  272    HD2  PRO  41           HD2      PRO  41  -8.344  10.256  -0.924
  273    HD3  PRO  41           HD1      PRO  41  -7.333   9.897  -2.339
  274    H    ALA  42           HN       ALA  42  -6.089  14.767   0.489
  275    HA   ALA  42           HA       ALA  42  -5.498  13.907   3.108
  276    HB1  ALA  42           HB1      ALA  42  -4.684  16.013   2.181
  277    HB2  ALA  42           HB2      ALA  42  -5.548  16.268   3.697
  278    HB3  ALA  42           HB3      ALA  42  -6.329  16.645   2.163
  279    H    GLY  43           HN       GLY  43  -8.487  14.328   1.529
  280    HA2  GLY  43           HA2      GLY  43 -10.024  14.875   3.907
  281    HA3  GLY  43           HA1      GLY  43 -10.660  14.479   2.317
  282    H    THR  44           HN       THR  44  -8.559  12.107   2.669
  283    HA   THR  44           HA       THR  44 -10.610  10.265   3.587
  284    HB   THR  44           HB       THR  44  -7.832   9.619   2.581
  285    HG1  THR  44           HG1      THR  44  -9.824  10.734   1.251
  286   HG21  THR  44          HG21      THR  44 -10.359   7.968   2.711
  287   HG22  THR  44          HG22      THR  44  -8.965   7.797   3.774
  288   HG23  THR  44          HG23      THR  44  -8.809   7.439   2.054
  289    H    SER  45           HN       SER  45 -10.528   9.057   5.430
  290    HA   SER  45           HA       SER  45  -8.656   9.961   7.461
  291    HB2  SER  45           HB2      SER  45 -11.017   8.084   7.723
  292    HB3  SER  45           HB1      SER  45 -10.151   8.880   9.037
  293    HG   SER  45           HG       SER  45 -10.803  10.887   7.768
  294    H    ARG  46           HN       ARG  46  -7.029   8.794   8.258
  295    HA   ARG  46           HA       ARG  46  -6.460   6.203   7.064
  296    HB2  ARG  46           HB2      ARG  46  -4.597   7.682   7.062
  297    HB3  ARG  46           HB1      ARG  46  -4.846   8.117   8.747
  298    HG2  ARG  46           HG2      ARG  46  -4.223   5.828   9.404
  299    HG3  ARG  46           HG1      ARG  46  -3.914   5.447   7.710
  300    HD2  ARG  46           HD2      ARG  46  -2.098   6.958   7.603
  301    HD3  ARG  46           HD1      ARG  46  -2.536   7.708   9.137
  302    HE   ARG  46           HE       ARG  46  -2.005   4.970   9.548
  303   HH11  ARG  46          HH11      ARG  46  -0.319   7.940   8.771
  304   HH12  ARG  46          HH12      ARG  46   1.153   7.458   9.555
  305   HH21  ARG  46          HH21      ARG  46  -0.082   4.341  10.596
  306   HH22  ARG  46          HH22      ARG  46   1.288   5.410  10.598
  307    HA   PRO  47           HA       PRO  47  -7.885   4.134  10.798
  308    HB2  PRO  47           HB2      PRO  47  -7.327   1.618   9.931
  309    HB3  PRO  47           HB1      PRO  47  -8.777   2.502   9.449
  310    HG2  PRO  47           HG2      PRO  47  -6.238   2.066   7.951
  311    HG3  PRO  47           HG1      PRO  47  -7.905   2.084   7.353
  312    HD2  PRO  47           HD2      PRO  47  -6.163   4.174   7.087
  313    HD3  PRO  47           HD1      PRO  47  -7.927   4.362   7.142
  314    H    GLY  48           HN       GLY  48  -6.773   3.657  12.596
  315    HA2  GLY  48           HA2      GLY  48  -3.919   3.974  12.521
  316    HA3  GLY  48           HA1      GLY  48  -4.908   3.756  13.955
  317    H    THR  49           HN       THR  49  -6.089   1.322  13.454
  318    HA   THR  49           HA       THR  49  -3.751  -0.472  13.387
  319    HB   THR  49           HB       THR  49  -5.116  -1.917  14.976
  320    HG1  THR  49           HG1      THR  49  -7.132  -0.931  14.761
  321   HG21  THR  49          HG21      THR  49  -4.214   0.799  15.941
  322   HG22  THR  49          HG22      THR  49  -3.189  -0.623  15.736
  323   HG23  THR  49          HG23      THR  49  -4.461  -0.621  16.958
  324    H    GLY  50           HN       GLY  50  -4.614  -0.264  11.022
  325    HA2  GLY  50           HA2      GLY  50  -5.533  -2.649  10.079
  326    HA3  GLY  50           HA1      GLY  50  -7.000  -1.734  10.397
  327    H    LEU  51           HN       LEU  51  -3.805  -1.085   8.988
  328    HA   LEU  51           HA       LEU  51  -4.782   0.957   7.288
  329    HB2  LEU  51           HB2      LEU  51  -2.382   0.430   8.236
  330    HB3  LEU  51           HB1      LEU  51  -2.220  -0.481   6.751
  331    HG   LEU  51           HG       LEU  51  -1.271   1.816   6.650
  332   HD11  LEU  51          HD11      LEU  51  -3.574   1.341   4.774
  333   HD12  LEU  51          HD12      LEU  51  -1.959   0.650   4.616
  334   HD13  LEU  51          HD13      LEU  51  -2.189   2.394   4.487
  335   HD21  LEU  51          HD21      LEU  51  -4.141   2.722   6.754
  336   HD22  LEU  51          HD22      LEU  51  -2.711   3.735   6.563
  337   HD23  LEU  51          HD23      LEU  51  -2.991   2.880   8.078
  338    H    ARG  52           HN       ARG  52  -5.706   0.831   5.375
  339    HA   ARG  52           HA       ARG  52  -5.826  -1.783   4.042
  340    HB2  ARG  52           HB2      ARG  52  -7.694   0.590   3.865
  341    HB3  ARG  52           HB1      ARG  52  -7.895  -0.922   2.990
  342    HG2  ARG  52           HG2      ARG  52  -8.162  -2.124   5.085
  343    HG3  ARG  52           HG1      ARG  52  -7.904  -0.628   5.987
  344    HD2  ARG  52           HD2      ARG  52  -9.903   0.335   4.937
  345    HD3  ARG  52           HD1      ARG  52 -10.162  -1.176   4.063
  346    HE   ARG  52           HE       ARG  52 -10.041  -1.889   6.708
  347   HH11  ARG  52          HH11      ARG  52 -12.010   0.298   4.817
  348   HH12  ARG  52          HH12      ARG  52 -13.408   0.113   5.822
  349   HH21  ARG  52          HH21      ARG  52 -11.878  -2.127   8.045
  350   HH22  ARG  52          HH22      ARG  52 -13.337  -1.273   7.653
  351    H    CYS  53           HN       CYS  53  -5.435  -1.949   1.855
  352    HA   CYS  53           HA       CYS  53  -3.873   0.197   0.682
  353    HB2  CYS  53           HB2      CYS  53  -3.213  -1.412  -0.985
  354    HB3  CYS  53           HB1      CYS  53  -3.107  -2.185   0.594
  355    H    ARG  54           HN       ARG  54  -4.351  -0.119  -2.014
  356    HA   ARG  54           HA       ARG  54  -6.597   1.511  -2.415
  357    HB2  ARG  54           HB2      ARG  54  -4.710   1.438  -3.978
  358    HB3  ARG  54           HB1      ARG  54  -5.118  -0.216  -4.410
  359    HG2  ARG  54           HG2      ARG  54  -7.300   0.602  -5.264
  360    HG3  ARG  54           HG1      ARG  54  -6.755   2.249  -4.947
  361    HD2  ARG  54           HD2      ARG  54  -5.347   0.288  -6.750
  362    HD3  ARG  54           HD1      ARG  54  -6.458   1.538  -7.303
  363    HE   ARG  54           HE       ARG  54  -4.653   2.955  -5.910
  364   HH11  ARG  54          HH11      ARG  54  -4.308   0.543  -8.427
  365   HH12  ARG  54          HH12      ARG  54  -2.830   1.216  -9.036
  366   HH21  ARG  54          HH21      ARG  54  -2.712   3.841  -6.728
  367   HH22  ARG  54          HH22      ARG  54  -1.929   3.090  -8.079
  368    H    SER  55           HN       SER  55  -6.138  -1.940  -3.177
  369    HA   SER  55           HA       SER  55  -8.725  -2.396  -4.152
  370    HB2  SER  55           HB2      SER  55  -6.914  -3.963  -4.581
  371    HB3  SER  55           HB1      SER  55  -6.774  -4.319  -2.861
  372    HG   SER  55           HG       SER  55  -8.986  -4.887  -4.552
  373    H    CYS  56           HN       CYS  56  -7.394  -2.679  -0.894
  374    HA   CYS  56           HA       CYS  56  -9.730  -3.870   0.207
  375    HB2  CYS  56           HB2      CYS  56  -7.313  -2.597   1.472
  376    HB3  CYS  56           HB1      CYS  56  -8.625  -3.303   2.412
  377    H    SER  57           HN       SER  57  -8.938  -0.636  -0.562
  378    HA   SER  57           HA       SER  57 -11.045   0.374   1.210
  379    HB2  SER  57           HB2      SER  57  -9.063   1.895  -0.499
  380    HB3  SER  57           HB1      SER  57 -10.212   2.607   0.633
  381    HG   SER  57           HG       SER  57  -7.832   1.253   1.113
  382    H    GLY  58           HN       GLY  58 -10.933  -1.031  -1.668
  383    HA2  GLY  58           HA2      GLY  58 -12.786   0.843  -2.977
  384    HA3  GLY  58           HA1      GLY  58 -11.872  -0.414  -3.795
  385    H    ASP  59           HN       ASP  59 -13.352  -1.731  -4.644
  386    HA   ASP  59           HA       ASP  59 -15.744  -2.385  -3.110
  387    HB2  ASP  59           HB2      ASP  59 -14.945  -3.005  -5.958
  388    HB3  ASP  59           HB1      ASP  59 -16.441  -3.562  -5.219
  389    H    VAL  60           HN       VAL  60 -14.723  -3.636  -1.507
  390    HA   VAL  60           HA       VAL  60 -13.403  -6.098  -2.310
  391    HB   VAL  60           HB       VAL  60 -14.073  -5.133   0.475
  392   HG11  VAL  60          HG11      VAL  60 -13.697  -7.532   0.361
  393   HG12  VAL  60          HG12      VAL  60 -12.359  -6.735   1.190
  394   HG13  VAL  60          HG13      VAL  60 -12.170  -7.267  -0.481
  395   HG21  VAL  60          HG21      VAL  60 -11.738  -4.424   0.619
  396   HG22  VAL  60          HG22      VAL  60 -12.603  -3.551  -0.647
  397   HG23  VAL  60          HG23      VAL  60 -11.501  -4.861  -1.074
  398    H    THR  61           HN       THR  61 -14.705  -7.683  -2.958
  399    HA   THR  61           HA       THR  61 -17.386  -8.029  -2.147
  400    HB   THR  61           HB       THR  61 -17.012 -10.376  -3.145
  401    HG1  THR  61           HG1      THR  61 -14.836 -10.637  -3.102
  402   HG21  THR  61          HG21      THR  61 -18.068  -8.566  -4.384
  403   HG22  THR  61          HG22      THR  61 -16.986  -9.475  -5.438
  404   HG23  THR  61          HG23      THR  61 -16.488  -7.908  -4.804
  405    HA   PRO  62           HA       PRO  62 -16.176  -9.758   1.831
  406    HB2  PRO  62           HB2      PRO  62 -19.004  -9.692   2.502
  407    HB3  PRO  62           HB1      PRO  62 -17.681  -8.747   3.186
  408    HG2  PRO  62           HG2      PRO  62 -19.627  -7.655   1.639
  409    HG3  PRO  62           HG1      PRO  62 -17.973  -7.022   1.702
  410    HD2  PRO  62           HD2      PRO  62 -19.250  -8.779  -0.361
  411    HD3  PRO  62           HD1      PRO  62 -18.156  -7.395  -0.577
  412    H    ALA  63           HN       ALA  63 -15.960 -11.815   2.380
  413    HA   ALA  63           HA       ALA  63 -17.532 -13.875   1.115
  414    HB1  ALA  63           HB1      ALA  63 -15.394 -14.092   3.238
  415    HB2  ALA  63           HB2      ALA  63 -15.119 -14.169   1.498
  416    HB3  ALA  63           HB3      ALA  63 -16.068 -15.422   2.299
  417    HA   PRO  64           HA       PRO  64 -20.613 -14.175   4.253
  418    HB2  PRO  64           HB2      PRO  64 -21.295 -16.802   3.988
  419    HB3  PRO  64           HB1      PRO  64 -21.810 -15.542   2.864
  420    HG2  PRO  64           HG2      PRO  64 -19.578 -17.513   2.611
  421    HG3  PRO  64           HG1      PRO  64 -20.732 -16.960   1.384
  422    HD2  PRO  64           HD2      PRO  64 -18.197 -16.025   1.527
  423    HD3  PRO  64           HD1      PRO  64 -19.553 -15.028   0.965
  424    H    VAL  65           HN       VAL  65 -19.348 -13.853   6.106
  425    HA   VAL  65           HA       VAL  65 -18.135 -16.234   7.324
  426    HB   VAL  65           HB       VAL  65 -16.963 -14.662   8.827
  427   HG11  VAL  65          HG11      VAL  65 -16.623 -14.097   5.886
  428   HG12  VAL  65          HG12      VAL  65 -15.867 -15.403   6.799
  429   HG13  VAL  65          HG13      VAL  65 -15.441 -13.727   7.140
  430   HG21  VAL  65          HG21      VAL  65 -18.576 -12.842   8.838
  431   HG22  VAL  65          HG22      VAL  65 -18.255 -12.527   7.132
  432   HG23  VAL  65          HG23      VAL  65 -16.989 -12.258   8.330
  433    H    GLU  66           HN       GLU  66 -21.009 -14.772   7.387
  434    HA   GLU  66           HA       GLU  66 -21.388 -14.705  10.268
  435    HB2  GLU  66           HB2      GLU  66 -23.267 -14.140   7.971
  436    HB3  GLU  66           HB1      GLU  66 -23.706 -13.996   9.666
  437    HG2  GLU  66           HG2      GLU  66 -22.247 -12.184   9.997
  438    HG3  GLU  66           HG1      GLU  66 -21.426 -12.467   8.462
  Start of MODEL   27
    1    H1   GLY   1           HT1      GLY   1  29.957 -18.177   3.481
    2    H2   GLY   1           HT2      GLY   1  28.397 -17.771   3.988
    3    H3   GLY   1           HT3      GLY   1  28.918 -19.376   4.067
    4    HA2  GLY   1           HA1      GLY   1  30.601 -18.756   5.705
    5    HA3  GLY   1           HA2      GLY   1  29.980 -17.112   5.656
    6    H    ALA   2           HN       ALA   2  28.437 -16.583   7.051
    7    HA   ALA   2           HA       ALA   2  27.200 -18.767   8.591
    8    HB1  ALA   2           HB1      ALA   2  26.842 -17.085  10.344
    9    HB2  ALA   2           HB2      ALA   2  27.583 -15.859   9.316
   10    HB3  ALA   2           HB3      ALA   2  28.546 -17.213   9.908
   11    H    MET   3           HN       MET   3  25.051 -17.491   9.682
   12    HA   MET   3           HA       MET   3  23.096 -17.473   7.689
   13    HB2  MET   3           HB2      MET   3  23.098 -16.190  10.426
   14    HB3  MET   3           HB1      MET   3  21.673 -16.297   9.401
   15    HG2  MET   3           HG2      MET   3  23.250 -18.606  10.506
   16    HG3  MET   3           HG1      MET   3  21.671 -18.053  11.060
   17    HE1  MET   3           HE1      MET   3  20.736 -20.541  10.804
   18    HE2  MET   3           HE2      MET   3  22.329 -21.063  10.257
   19    HE3  MET   3           HE3      MET   3  20.895 -21.489   9.325
   20    H    GLU   4           HN       GLU   4  24.169 -14.619   9.529
   21    HA   GLU   4           HA       GLU   4  24.636 -12.489   8.932
   22    HB2  GLU   4           HB2      GLU   4  25.029 -13.702   6.191
   23    HB3  GLU   4           HB1      GLU   4  25.546 -12.092   6.671
   24    HG2  GLU   4           HG2      GLU   4  27.078 -13.019   8.288
   25    HG3  GLU   4           HG1      GLU   4  26.503 -14.647   7.938
   26    H    GLY   5           HN       GLY   5  24.044 -10.731   7.169
   27    HA2  GLY   5           HA2      GLY   5  21.920 -10.687   5.525
   28    HA3  GLY   5           HA1      GLY   5  21.150 -10.677   7.107
   29    H    GLN   6           HN       GLN   6  21.747  -8.684   4.747
   30    HA   GLN   6           HA       GLN   6  22.399  -6.437   6.538
   31    HB2  GLN   6           HB2      GLN   6  23.275  -6.886   3.685
   32    HB3  GLN   6           HB1      GLN   6  23.361  -5.319   4.475
   33    HG2  GLN   6           HG2      GLN   6  24.733  -7.801   5.476
   34    HG3  GLN   6           HG1      GLN   6  25.495  -6.573   4.468
   35   HE21  GLN   6          HE21      GLN   6  24.211  -7.307   7.616
   36   HE22  GLN   6          HE22      GLN   6  24.906  -5.949   8.432
   37    H    GLN   7           HN       GLN   7  19.843  -7.091   6.386
   38    HA   GLN   7           HA       GLN   7  18.735  -4.877   4.892
   39    HB2  GLN   7           HB2      GLN   7  16.883  -6.314   3.972
   40    HB3  GLN   7           HB1      GLN   7  18.456  -6.531   3.229
   41    HG2  GLN   7           HG2      GLN   7  17.678  -8.690   3.418
   42    HG3  GLN   7           HG1      GLN   7  18.698  -8.527   4.844
   43   HE21  GLN   7          HE21      GLN   7  17.785  -8.662   6.854
   44   HE22  GLN   7          HE22      GLN   7  16.120  -9.039   7.126
   45    H    ASN   8           HN       ASN   8  16.539  -4.374   5.475
   46    HA   ASN   8           HA       ASN   8  15.523  -5.594   7.925
   47    HB2  ASN   8           HB2      ASN   8  16.898  -3.702   8.704
   48    HB3  ASN   8           HB1      ASN   8  16.016  -2.618   7.638
   49   HD21  ASN   8          HD21      ASN   8  15.235  -1.315   9.232
   50   HD22  ASN   8          HD22      ASN   8  14.050  -1.831  10.383
   51    H    LEU   9           HN       LEU   9  15.030  -2.909   5.657
   52    HA   LEU   9           HA       LEU   9  12.208  -3.684   5.400
   53    HB2  LEU   9           HB2      LEU   9  13.635  -1.195   4.446
   54    HB3  LEU   9           HB1      LEU   9  11.914  -1.498   4.322
   55    HG   LEU   9           HG       LEU   9  13.439  -1.192   6.912
   56   HD11  LEU   9          HD11      LEU   9  12.273   0.948   7.099
   57   HD12  LEU   9          HD12      LEU   9  11.573   0.708   5.499
   58   HD13  LEU   9          HD13      LEU   9  13.316   0.904   5.678
   59   HD21  LEU   9          HD21      LEU   9  11.205  -1.089   7.927
   60   HD22  LEU   9          HD22      LEU   9  11.514  -2.647   7.160
   61   HD23  LEU   9          HD23      LEU   9  10.486  -1.458   6.359
   62    H    ALA  10           HN       ALA  10  11.323  -3.986   3.290
   63    HA   ALA  10           HA       ALA  10  13.261  -5.072   1.421
   64    HB1  ALA  10           HB1      ALA  10  10.245  -5.064   1.316
   65    HB2  ALA  10           HB2      ALA  10  11.252  -6.371   1.937
   66    HB3  ALA  10           HB3      ALA  10  11.316  -5.944   0.228
   67    HA   PRO  11           HA       PRO  11  13.247  -1.210  -0.808
   68    HB2  PRO  11           HB2      PRO  11  14.821  -2.027  -2.871
   69    HB3  PRO  11           HB1      PRO  11  15.456  -1.585  -1.283
   70    HG2  PRO  11           HG2      PRO  11  14.907  -4.298  -2.417
   71    HG3  PRO  11           HG1      PRO  11  16.285  -3.746  -1.448
   72    HD2  PRO  11           HD2      PRO  11  14.234  -5.158  -0.390
   73    HD3  PRO  11           HD1      PRO  11  15.130  -3.938   0.536
   74    H    GLY  12           HN       GLY  12  12.061  -4.223  -1.870
   75    HA2  GLY  12           HA2      GLY  12  11.070  -3.298  -4.421
   76    HA3  GLY  12           HA1      GLY  12  10.709  -4.838  -3.656
   77    H    ALA  13           HN       ALA  13  10.034  -3.123  -1.179
   78    HA   ALA  13           HA       ALA  13   7.285  -2.509  -2.027
   79    HB1  ALA  13           HB1      ALA  13   8.283  -3.311   0.707
   80    HB2  ALA  13           HB2      ALA  13   7.442  -4.364  -0.431
   81    HB3  ALA  13           HB3      ALA  13   6.606  -2.978   0.272
   82    H    ARG  14           HN       ARG  14   7.387  -0.376  -2.490
   83    HA   ARG  14           HA       ARG  14   7.885   1.438  -0.281
   84    HB2  ARG  14           HB2      ARG  14   9.384   2.869  -1.471
   85    HB3  ARG  14           HB1      ARG  14  10.051   1.245  -1.501
   86    HG2  ARG  14           HG2      ARG  14   8.395   2.232  -3.781
   87    HG3  ARG  14           HG1      ARG  14  10.087   2.689  -3.629
   88    HD2  ARG  14           HD2      ARG  14  10.766   0.373  -3.663
   89    HD3  ARG  14           HD1      ARG  14   9.081  -0.150  -3.655
   90    HE   ARG  14           HE       ARG  14   9.101   1.278  -5.873
   91   HH11  ARG  14          HH11      ARG  14  11.543  -0.960  -4.720
   92   HH12  ARG  14          HH12      ARG  14  12.012  -1.454  -6.319
   93   HH21  ARG  14          HH21      ARG  14   9.740   0.641  -7.968
   94   HH22  ARG  14          HH22      ARG  14  10.990  -0.546  -8.161
   95    H    CYS  15           HN       CYS  15   7.155   3.672  -0.832
   96    HA   CYS  15           HA       CYS  15   4.588   3.636  -2.021
   97    HB2  CYS  15           HB2      CYS  15   5.120   5.247  -0.279
   98    HB3  CYS  15           HB1      CYS  15   6.399   5.945  -1.267
   99    H    GLY  16           HN       GLY  16   4.380   3.232  -4.142
  100    HA2  GLY  16           HA2      GLY  16   6.337   3.679  -6.093
  101    HA3  GLY  16           HA1      GLY  16   4.638   3.382  -6.416
  102    H    VAL  17           HN       VAL  17   3.858   5.781  -4.872
  103    HA   VAL  17           HA       VAL  17   3.820   7.645  -6.995
  104    HB   VAL  17           HB       VAL  17   3.223   8.146  -4.072
  105   HG11  VAL  17          HG11      VAL  17   1.784   9.950  -4.907
  106   HG12  VAL  17          HG12      VAL  17   2.341   9.623  -6.549
  107   HG13  VAL  17          HG13      VAL  17   3.476  10.205  -5.330
  108   HG21  VAL  17          HG21      VAL  17   1.905   6.285  -4.873
  109   HG22  VAL  17          HG22      VAL  17   1.409   7.209  -6.290
  110   HG23  VAL  17          HG23      VAL  17   0.874   7.704  -4.685
  111    H    CYS  18           HN       CYS  18   5.936   7.205  -4.242
  112    HA   CYS  18           HA       CYS  18   7.254   9.769  -4.824
  113    HB2  CYS  18           HB2      CYS  18   7.305   8.065  -2.330
  114    HB3  CYS  18           HB1      CYS  18   8.257   9.529  -2.554
  115    H    GLY  19           HN       GLY  19   7.824   6.323  -4.423
  116    HA2  GLY  19           HA2      GLY  19   9.582   5.157  -5.518
  117    HA3  GLY  19           HA1      GLY  19  10.500   6.657  -5.584
  118    H    ASP  20           HN       ASP  20   9.689   7.176  -2.748
  119    HA   ASP  20           HA       ASP  20  11.948   5.837  -1.531
  120    HB2  ASP  20           HB2      ASP  20  10.070   7.978  -0.512
  121    HB3  ASP  20           HB1      ASP  20  11.425   7.338   0.409
  122    H    GLY  21           HN       GLY  21  11.866   4.570   0.310
  123    HA2  GLY  21           HA2      GLY  21   9.227   3.398   0.899
  124    HA3  GLY  21           HA1      GLY  21  10.765   2.571   1.108
  125    H    THR  22           HN       THR  22  10.872   5.806   2.066
  126    HA   THR  22           HA       THR  22  11.270   5.097   4.799
  127    HB   THR  22           HB       THR  22  11.000   7.854   3.589
  128    HG1  THR  22           HG1      THR  22  12.831   6.090   3.088
  129   HG21  THR  22          HG21      THR  22  12.234   6.937   6.190
  130   HG22  THR  22          HG22      THR  22  10.741   7.859   6.020
  131   HG23  THR  22          HG23      THR  22  12.281   8.582   5.557
  132    H    ASP  23           HN       ASP  23   9.812   4.889   6.322
  133    HA   ASP  23           HA       ASP  23   7.897   4.969   7.523
  134    HB2  ASP  23           HB2      ASP  23   8.629   7.364   7.681
  135    HB3  ASP  23           HB1      ASP  23   7.547   7.730   6.343
  136    H    VAL  24           HN       VAL  24   7.236   3.336   5.838
  137    HA   VAL  24           HA       VAL  24   4.973   4.322   4.241
  138    HB   VAL  24           HB       VAL  24   5.181   2.140   2.994
  139   HG11  VAL  24          HG11      VAL  24   7.087   2.889   1.642
  140   HG12  VAL  24          HG12      VAL  24   7.535   4.022   2.917
  141   HG13  VAL  24          HG13      VAL  24   6.008   4.220   2.057
  142   HG21  VAL  24          HG21      VAL  24   7.781   1.993   4.514
  143   HG22  VAL  24          HG22      VAL  24   7.364   0.991   3.126
  144   HG23  VAL  24          HG23      VAL  24   6.434   0.860   4.620
  145    H    LEU  25           HN       LEU  25   2.986   3.412   4.400
  146    HA   LEU  25           HA       LEU  25   2.424   1.940   6.815
  147    HB2  LEU  25           HB2      LEU  25   0.738   3.159   4.650
  148    HB3  LEU  25           HB1      LEU  25   0.031   2.076   5.835
  149    HG   LEU  25           HG       LEU  25   1.448   4.664   6.461
  150   HD11  LEU  25          HD11      LEU  25  -1.480   3.974   6.561
  151   HD12  LEU  25          HD12      LEU  25  -0.708   4.955   5.317
  152   HD13  LEU  25          HD13      LEU  25  -0.748   5.521   6.988
  153   HD21  LEU  25          HD21      LEU  25   1.697   3.077   8.267
  154   HD22  LEU  25          HD22      LEU  25  -0.026   2.710   8.222
  155   HD23  LEU  25          HD23      LEU  25   0.523   4.308   8.722
  156    H    ARG  26           HN       ARG  26   1.573  -0.089   6.956
  157    HA   ARG  26           HA       ARG  26   2.058  -1.805   4.621
  158    HB2  ARG  26           HB2      ARG  26   1.841  -2.527   7.550
  159    HB3  ARG  26           HB1      ARG  26   2.255  -3.630   6.244
  160    HG2  ARG  26           HG2      ARG  26   3.874  -1.239   7.090
  161    HG3  ARG  26           HG1      ARG  26   4.219  -2.917   7.511
  162    HD2  ARG  26           HD2      ARG  26   4.479  -3.456   5.140
  163    HD3  ARG  26           HD1      ARG  26   4.126  -1.780   4.718
  164    HE   ARG  26           HE       ARG  26   6.180  -1.297   6.172
  165   HH11  ARG  26          HH11      ARG  26   5.782  -4.143   4.179
  166   HH12  ARG  26          HH12      ARG  26   7.482  -4.380   3.953
  167   HH21  ARG  26          HH21      ARG  26   8.411  -1.597   5.884
  168   HH22  ARG  26          HH22      ARG  26   8.983  -2.926   4.923
  169    H    CYS  27           HN       CYS  27   0.515  -3.298   3.963
  170    HA   CYS  27           HA       CYS  27  -2.203  -2.601   4.691
  171    HB2  CYS  27           HB2      CYS  27  -1.381  -3.069   2.296
  172    HB3  CYS  27           HB1      CYS  27  -1.422  -4.783   2.741
  173    H    THR  28           HN       THR  28  -3.580  -3.845   5.853
  174    HA   THR  28           HA       THR  28  -2.380  -5.988   7.400
  175    HB   THR  28           HB       THR  28  -4.625  -5.910   8.603
  176    HG1  THR  28           HG1      THR  28  -4.980  -3.396   7.382
  177   HG21  THR  28          HG21      THR  28  -4.075  -3.812   9.770
  178   HG22  THR  28          HG22      THR  28  -2.952  -3.398   8.476
  179   HG23  THR  28          HG23      THR  28  -2.644  -4.805   9.495
  180    H    HIS  29           HN       HIS  29  -4.013  -5.825   4.526
  181    HA   HIS  29           HA       HIS  29  -5.240  -8.476   4.926
  182    HB2  HIS  29           HB2      HIS  29  -5.988  -6.294   2.972
  183    HB3  HIS  29           HB1      HIS  29  -6.673  -7.914   2.950
  184    HD1  HIS  29           HD1      HIS  29  -8.665  -8.309   4.406
  185    HD2  HIS  29           HD2      HIS  29  -6.631  -4.827   5.410
  186    HE1  HIS  29           HE1      HIS  29 -10.117  -7.138   6.091
  187    HE2  HIS  29           HE2      HIS  29  -8.737  -5.181   6.866
  188    H    CYS  30           HN       CYS  30  -2.868  -6.692   3.239
  189    HA   CYS  30           HA       CYS  30  -1.984  -9.090   1.901
  190    HB2  CYS  30           HB2      CYS  30  -2.052  -8.319  -0.308
  191    HB3  CYS  30           HB1      CYS  30  -3.597  -7.782   0.340
  192    H    ALA  31           HN       ALA  31   0.030  -8.081   0.399
  193    HA   ALA  31           HA       ALA  31   1.696  -6.756   2.401
  194    HB1  ALA  31           HB1      ALA  31   2.502  -8.945   1.667
  195    HB2  ALA  31           HB2      ALA  31   3.614  -7.665   1.184
  196    HB3  ALA  31           HB3      ALA  31   2.524  -8.380  -0.004
  197    H    ALA  32           HN       ALA  32   1.970  -4.654   2.099
  198    HA   ALA  32           HA       ALA  32   2.645  -3.589  -0.482
  199    HB1  ALA  32           HB1      ALA  32   0.195  -3.703  -0.669
  200    HB2  ALA  32           HB2      ALA  32   0.781  -2.040  -0.672
  201    HB3  ALA  32           HB3      ALA  32   0.049  -2.713   0.783
  202    H    ALA  33           HN       ALA  33   3.318  -1.394  -0.374
  203    HA   ALA  33           HA       ALA  33   3.533  -0.212   2.291
  204    HB1  ALA  33           HB1      ALA  33   5.908   0.268   1.969
  205    HB2  ALA  33           HB2      ALA  33   5.886  -0.611   0.441
  206    HB3  ALA  33           HB3      ALA  33   5.606  -1.470   1.956
  207    H    PHE  34           HN       PHE  34   2.970   1.864   2.212
  208    HA   PHE  34           HA       PHE  34   3.638   3.584   0.018
  209    HB2  PHE  34           HB2      PHE  34   1.344   4.075  -0.700
  210    HB3  PHE  34           HB1      PHE  34   1.719   2.377  -0.960
  211    HD1  PHE  34           HD2      PHE  34   0.767   0.659   0.548
  212    HD2  PHE  34           HD1      PHE  34  -0.394   4.747   0.769
  213    HE1  PHE  34           HE2      PHE  34  -1.235   0.017   1.823
  214    HE2  PHE  34           HE1      PHE  34  -2.398   4.111   2.044
  215    HZ   PHE  34           HZ       PHE  34  -2.820   1.753   2.581
  216    H    HIS  35           HN       HIS  35   2.937   5.803   0.419
  217    HA   HIS  35           HA       HIS  35   2.493   6.353   3.246
  218    HB2  HIS  35           HB2      HIS  35   2.753   8.363   0.996
  219    HB3  HIS  35           HB1      HIS  35   2.898   8.674   2.721
  220    HD2  HIS  35           HD2      HIS  35   5.117   6.368   3.423
  221    HE1  HIS  35           HE1      HIS  35   7.392   8.370   0.466
  222    HE2  HIS  35           HE2      HIS  35   7.496   6.981   2.597
  223    H    TRP  36           HN       TRP  36   0.518   6.854   4.052
  224    HA   TRP  36           HA       TRP  36  -1.787   6.180   2.774
  225    HB2  TRP  36           HB2      TRP  36  -1.561   6.659   5.224
  226    HB3  TRP  36           HB1      TRP  36  -1.658   8.375   4.846
  227    HD1  TRP  36           HD1      TRP  36  -4.027   9.382   4.805
  228    HE1  TRP  36           HE1      TRP  36  -6.422   8.437   4.765
  229    HE3  TRP  36           HE3      TRP  36  -2.932   4.422   4.234
  230    HZ2  TRP  36           HZ2      TRP  36  -7.677   5.919   4.514
  231    HZ3  TRP  36           HZ3      TRP  36  -4.787   2.812   4.098
  232    HH2  TRP  36           HH2      TRP  36  -7.110   3.546   4.236
  233    H    ARG  37           HN       ARG  37  -0.564   9.513   3.061
  234    HA   ARG  37           HA       ARG  37  -2.734  10.758   1.801
  235    HB2  ARG  37           HB2      ARG  37   0.137  11.679   1.952
  236    HB3  ARG  37           HB1      ARG  37  -1.236  12.694   1.533
  237    HG2  ARG  37           HG2      ARG  37  -2.189  12.330   3.745
  238    HG3  ARG  37           HG1      ARG  37  -0.823  11.293   4.164
  239    HD2  ARG  37           HD2      ARG  37  -0.482  13.499   5.079
  240    HD3  ARG  37           HD1      ARG  37   0.697  13.196   3.805
  241    HE   ARG  37           HE       ARG  37  -1.483  14.490   2.649
  242   HH11  ARG  37          HH11      ARG  37   0.989  15.151   5.031
  243   HH12  ARG  37          HH12      ARG  37   1.027  16.855   4.711
  244   HH21  ARG  37          HH21      ARG  37  -1.424  16.738   2.206
  245   HH22  ARG  37          HH22      ARG  37  -0.348  17.759   3.106
  246    H    CYS  38           HN       CYS  38   0.076   9.201   0.456
  247    HA   CYS  38           HA       CYS  38  -0.102  10.417  -2.122
  248    HB2  CYS  38           HB2      CYS  38   1.268   7.836  -1.362
  249    HB3  CYS  38           HB1      CYS  38   1.609   8.848  -2.763
  250    H    HIS  39           HN       HIS  39  -1.661   7.783  -0.571
  251    HA   HIS  39           HA       HIS  39  -2.708   6.788  -3.133
  252    HB2  HIS  39           HB2      HIS  39  -2.251   5.573  -0.479
  253    HB3  HIS  39           HB1      HIS  39  -3.727   5.079  -1.298
  254    HD1  HIS  39           HD1      HIS  39  -3.128   2.782  -2.014
  255    HD2  HIS  39           HD2      HIS  39  -0.233   5.558  -3.074
  256    HE1  HIS  39           HE1      HIS  39  -1.488   1.519  -3.427
  257    HE2  HIS  39           HE2      HIS  39   0.119   3.284  -4.256
  258    H    PHE  40           HN       PHE  40  -3.705   7.932   0.053
  259    HA   PHE  40           HA       PHE  40  -6.439   8.254  -0.989
  260    HB2  PHE  40           HB2      PHE  40  -5.526   7.701   1.844
  261    HB3  PHE  40           HB1      PHE  40  -7.191   8.010   1.367
  262    HD1  PHE  40           HD1      PHE  40  -4.394   5.626   1.112
  263    HD2  PHE  40           HD2      PHE  40  -8.529   6.317   0.388
  264    HE1  PHE  40           HE1      PHE  40  -4.714   3.225   0.683
  265    HE2  PHE  40           HE2      PHE  40  -8.857   3.919  -0.045
  266    HZ   PHE  40           HZ       PHE  40  -6.949   2.368   0.102
  267    HA   PRO  41           HA       PRO  41  -5.517  12.580  -0.411
  268    HB2  PRO  41           HB2      PRO  41  -7.994  13.505  -1.029
  269    HB3  PRO  41           HB1      PRO  41  -6.836  12.966  -2.250
  270    HG2  PRO  41           HG2      PRO  41  -9.154  11.494  -1.058
  271    HG3  PRO  41           HG1      PRO  41  -8.633  11.577  -2.752
  272    HD2  PRO  41           HD2      PRO  41  -8.069   9.465  -1.167
  273    HD3  PRO  41           HD1      PRO  41  -6.968  10.012  -2.447
  274    H    ALA  42           HN       ALA  42  -6.752  14.450   0.699
  275    HA   ALA  42           HA       ALA  42  -6.845  13.774   3.437
  276    HB1  ALA  42           HB1      ALA  42  -7.667  16.336   2.087
  277    HB2  ALA  42           HB2      ALA  42  -6.046  15.933   2.653
  278    HB3  ALA  42           HB3      ALA  42  -7.361  16.127   3.809
  279    H    GLY  43           HN       GLY  43  -9.255  13.637   1.066
  280    HA2  GLY  43           HA2      GLY  43 -11.540  14.070   2.698
  281    HA3  GLY  43           HA1      GLY  43 -11.505  13.174   1.185
  282    H    THR  44           HN       THR  44  -9.361  11.411   2.280
  283    HA   THR  44           HA       THR  44 -11.120   9.624   3.809
  284    HB   THR  44           HB       THR  44  -8.537   8.992   2.365
  285    HG1  THR  44           HG1      THR  44 -10.840   9.545   1.299
  286   HG21  THR  44          HG21      THR  44  -9.230   6.654   2.617
  287   HG22  THR  44          HG22      THR  44 -10.652   7.173   3.523
  288   HG23  THR  44          HG23      THR  44  -9.041   7.436   4.188
  289    H    SER  45           HN       SER  45 -10.586   8.977   5.853
  290    HA   SER  45           HA       SER  45  -8.393  10.395   7.133
  291    HB2  SER  45           HB2      SER  45 -10.639  10.367   8.181
  292    HB3  SER  45           HB1      SER  45 -10.527   8.615   8.341
  293    HG   SER  45           HG       SER  45  -8.776  10.515   9.530
  294    H    ARG  46           HN       ARG  46  -6.874   9.322   8.494
  295    HA   ARG  46           HA       ARG  46  -5.950   6.825   7.339
  296    HB2  ARG  46           HB2      ARG  46  -4.355   8.630   7.630
  297    HB3  ARG  46           HB1      ARG  46  -4.728   8.723   9.343
  298    HG2  ARG  46           HG2      ARG  46  -3.785   6.484   9.664
  299    HG3  ARG  46           HG1      ARG  46  -3.389   6.417   7.942
  300    HD2  ARG  46           HD2      ARG  46  -1.933   8.341   8.176
  301    HD3  ARG  46           HD1      ARG  46  -2.380   8.502   9.872
  302    HE   ARG  46           HE       ARG  46  -1.373   5.992   9.735
  303   HH11  ARG  46          HH11      ARG  46  -0.187   9.128   8.735
  304   HH12  ARG  46          HH12      ARG  46   1.482   8.721   8.975
  305   HH21  ARG  46          HH21      ARG  46   0.842   5.464  10.087
  306   HH22  ARG  46          HH22      ARG  46   2.064   6.648   9.751
  307    HA   PRO  47           HA       PRO  47  -7.849   4.654  10.839
  308    HB2  PRO  47           HB2      PRO  47  -6.905   2.261   9.438
  309    HB3  PRO  47           HB1      PRO  47  -8.555   2.742   9.836
  310    HG2  PRO  47           HG2      PRO  47  -7.629   2.741   7.305
  311    HG3  PRO  47           HG1      PRO  47  -8.831   3.912   7.879
  312    HD2  PRO  47           HD2      PRO  47  -5.884   4.267   7.474
  313    HD3  PRO  47           HD1      PRO  47  -7.219   5.374   7.085
  314    H    GLY  48           HN       GLY  48  -6.962   3.844  12.663
  315    HA2  GLY  48           HA2      GLY  48  -4.075   3.635  12.827
  316    HA3  GLY  48           HA1      GLY  48  -5.213   3.504  14.164
  317    H    THR  49           HN       THR  49  -6.863   1.525  12.861
  318    HA   THR  49           HA       THR  49  -5.031  -0.777  12.752
  319    HB   THR  49           HB       THR  49  -6.976  -2.107  13.740
  320    HG1  THR  49           HG1      THR  49  -7.794   0.505  14.567
  321   HG21  THR  49          HG21      THR  49  -6.390  -1.507  16.056
  322   HG22  THR  49          HG22      THR  49  -5.599  -0.045  15.464
  323   HG23  THR  49          HG23      THR  49  -4.966  -1.631  15.024
  324    H    GLY  50           HN       GLY  50  -5.680  -2.482  11.351
  325    HA2  GLY  50           HA2      GLY  50  -6.693  -3.414   9.507
  326    HA3  GLY  50           HA1      GLY  50  -8.080  -2.381   9.824
  327    H    LEU  51           HN       LEU  51  -4.761  -1.380   9.213
  328    HA   LEU  51           HA       LEU  51  -5.470   0.597   7.346
  329    HB2  LEU  51           HB2      LEU  51  -3.309   0.255   8.772
  330    HB3  LEU  51           HB1      LEU  51  -2.761  -0.701   7.413
  331    HG   LEU  51           HG       LEU  51  -1.908   1.630   7.416
  332   HD11  LEU  51          HD11      LEU  51  -2.390   2.120   5.071
  333   HD12  LEU  51          HD12      LEU  51  -3.700   0.938   5.097
  334   HD13  LEU  51          HD13      LEU  51  -2.031   0.411   5.323
  335   HD21  LEU  51          HD21      LEU  51  -3.399   3.466   6.884
  336   HD22  LEU  51          HD22      LEU  51  -3.887   2.695   8.392
  337   HD23  LEU  51          HD23      LEU  51  -4.782   2.375   6.908
  338    H    ARG  52           HN       ARG  52  -5.965   0.451   5.255
  339    HA   ARG  52           HA       ARG  52  -5.382  -2.080   3.862
  340    HB2  ARG  52           HB2      ARG  52  -7.738  -0.219   3.539
  341    HB3  ARG  52           HB1      ARG  52  -7.412  -1.603   2.506
  342    HG2  ARG  52           HG2      ARG  52  -7.624  -3.071   4.482
  343    HG3  ARG  52           HG1      ARG  52  -8.070  -1.657   5.441
  344    HD2  ARG  52           HD2      ARG  52  -9.957  -1.252   3.907
  345    HD3  ARG  52           HD1      ARG  52  -9.532  -2.716   3.026
  346    HE   ARG  52           HE       ARG  52 -10.069  -3.001   5.874
  347   HH11  ARG  52          HH11      ARG  52 -11.230  -3.317   2.580
  348   HH12  ARG  52          HH12      ARG  52 -12.540  -4.366   3.014
  349   HH21  ARG  52          HH21      ARG  52 -11.804  -4.359   6.445
  350   HH22  ARG  52          HH22      ARG  52 -12.871  -4.960   5.211
  351    H    CYS  53           HN       CYS  53  -4.693  -1.976   1.755
  352    HA   CYS  53           HA       CYS  53  -3.629   0.534   0.818
  353    HB2  CYS  53           HB2      CYS  53  -2.636  -0.747  -0.959
  354    HB3  CYS  53           HB1      CYS  53  -2.453  -1.675   0.528
  355    H    ARG  54           HN       ARG  54  -4.028   0.633  -1.842
  356    HA   ARG  54           HA       ARG  54  -6.656   1.656  -2.040
  357    HB2  ARG  54           HB2      ARG  54  -4.940   2.629  -3.388
  358    HB3  ARG  54           HB1      ARG  54  -4.523   1.082  -4.099
  359    HG2  ARG  54           HG2      ARG  54  -7.267   2.126  -4.541
  360    HG3  ARG  54           HG1      ARG  54  -5.928   2.878  -5.407
  361    HD2  ARG  54           HD2      ARG  54  -5.273   0.726  -6.315
  362    HD3  ARG  54           HD1      ARG  54  -6.546  -0.072  -5.399
  363    HE   ARG  54           HE       ARG  54  -7.872   1.765  -6.911
  364   HH11  ARG  54          HH11      ARG  54  -5.603  -0.807  -7.600
  365   HH12  ARG  54          HH12      ARG  54  -6.277  -1.158  -9.161
  366   HH21  ARG  54          HH21      ARG  54  -8.767   1.305  -8.970
  367   HH22  ARG  54          HH22      ARG  54  -8.078   0.042  -9.941
  368    H    SER  55           HN       SER  55  -5.170  -1.360  -3.050
  369    HA   SER  55           HA       SER  55  -7.335  -2.314  -4.587
  370    HB2  SER  55           HB2      SER  55  -5.042  -3.175  -4.792
  371    HB3  SER  55           HB1      SER  55  -5.144  -3.838  -3.167
  372    HG   SER  55           HG       SER  55  -6.223  -4.758  -5.545
  373    H    CYS  56           HN       CYS  56  -6.350  -3.081  -1.234
  374    HA   CYS  56           HA       CYS  56  -8.560  -4.824  -0.805
  375    HB2  CYS  56           HB2      CYS  56  -6.704  -3.553   1.206
  376    HB3  CYS  56           HB1      CYS  56  -7.831  -4.859   1.548
  377    H    SER  57           HN       SER  57  -8.277  -1.410  -0.635
  378    HA   SER  57           HA       SER  57 -10.686  -1.269   1.054
  379    HB2  SER  57           HB2      SER  57  -8.569   0.025   1.711
  380    HB3  SER  57           HB1      SER  57  -8.918   1.071   0.339
  381    HG   SER  57           HG       SER  57 -10.563   1.922   1.379
  382    H    GLY  58           HN       GLY  58 -10.378  -1.837  -1.912
  383    HA2  GLY  58           HA2      GLY  58 -12.225   0.276  -2.802
  384    HA3  GLY  58           HA1      GLY  58 -10.891  -0.241  -3.820
  385    H    ASP  59           HN       ASP  59 -11.551  -1.473  -5.409
  386    HA   ASP  59           HA       ASP  59 -14.129  -2.793  -5.212
  387    HB2  ASP  59           HB2      ASP  59 -13.632  -1.375  -7.154
  388    HB3  ASP  59           HB1      ASP  59 -12.259  -2.397  -7.554
  389    H    VAL  60           HN       VAL  60 -11.016  -3.625  -4.611
  390    HA   VAL  60           HA       VAL  60 -11.240  -6.344  -5.668
  391    HB   VAL  60           HB       VAL  60  -8.859  -5.018  -4.364
  392   HG11  VAL  60          HG11      VAL  60  -7.585  -6.865  -5.353
  393   HG12  VAL  60          HG12      VAL  60  -9.086  -7.575  -5.943
  394   HG13  VAL  60          HG13      VAL  60  -8.797  -7.443  -4.210
  395   HG21  VAL  60          HG21      VAL  60  -9.485  -5.417  -7.285
  396   HG22  VAL  60          HG22      VAL  60  -7.963  -4.806  -6.637
  397   HG23  VAL  60          HG23      VAL  60  -9.449  -3.878  -6.427
  398    H    THR  61           HN       THR  61 -11.438  -8.098  -4.392
  399    HA   THR  61           HA       THR  61 -11.511  -7.659  -1.486
  400    HB   THR  61           HB       THR  61 -12.699  -9.977  -3.029
  401    HG1  THR  61           HG1      THR  61 -13.577  -7.641  -3.217
  402   HG21  THR  61          HG21      THR  61 -12.195 -10.470  -0.683
  403   HG22  THR  61          HG22      THR  61 -13.937 -10.390  -0.951
  404   HG23  THR  61          HG23      THR  61 -13.097  -9.041  -0.182
  405    HA   PRO  62           HA       PRO  62  -7.552  -9.733  -1.920
  406    HB2  PRO  62           HB2      PRO  62  -6.727  -9.317   0.624
  407    HB3  PRO  62           HB1      PRO  62  -6.699  -8.050  -0.610
  408    HG2  PRO  62           HG2      PRO  62  -8.723  -8.551   1.542
  409    HG3  PRO  62           HG1      PRO  62  -7.998  -7.017   1.022
  410    HD2  PRO  62           HD2      PRO  62 -10.458  -7.802   0.226
  411    HD3  PRO  62           HD1      PRO  62  -9.387  -6.838  -0.810
  412    H    ALA  63           HN       ALA  63  -6.955 -11.780  -1.630
  413    HA   ALA  63           HA       ALA  63  -8.512 -13.472   0.155
  414    HB1  ALA  63           HB1      ALA  63  -7.391 -15.334  -0.946
  415    HB2  ALA  63           HB2      ALA  63  -6.348 -14.211  -1.819
  416    HB3  ALA  63           HB3      ALA  63  -8.082 -14.238  -2.141
  417    HA   PRO  64           HA       PRO  64  -5.282 -13.123   3.220
  418    HB2  PRO  64           HB2      PRO  64  -6.302 -14.866   5.016
  419    HB3  PRO  64           HB1      PRO  64  -6.992 -13.258   4.765
  420    HG2  PRO  64           HG2      PRO  64  -7.918 -15.901   3.716
  421    HG3  PRO  64           HG1      PRO  64  -8.874 -14.559   4.371
  422    HD2  PRO  64           HD2      PRO  64  -8.573 -15.031   1.699
  423    HD3  PRO  64           HD1      PRO  64  -8.861 -13.419   2.380
  424    H    VAL  65           HN       VAL  65  -4.261 -14.439   1.194
  425    HA   VAL  65           HA       VAL  65  -3.814 -17.234   1.860
  426    HB   VAL  65           HB       VAL  65  -4.259 -16.714  -0.473
  427   HG11  VAL  65          HG11      VAL  65  -3.407 -14.438  -0.549
  428   HG12  VAL  65          HG12      VAL  65  -2.693 -15.417  -1.830
  429   HG13  VAL  65          HG13      VAL  65  -1.756 -15.036  -0.384
  430   HG21  VAL  65          HG21      VAL  65  -2.817 -18.614  -0.012
  431   HG22  VAL  65          HG22      VAL  65  -1.399 -17.567  -0.038
  432   HG23  VAL  65          HG23      VAL  65  -2.333 -17.822  -1.512
  433    H    GLU  66           HN       GLU  66  -2.049 -18.029   2.761
  434    HA   GLU  66           HA       GLU  66   0.244 -16.235   3.170
  435    HB2  GLU  66           HB2      GLU  66  -0.516 -18.693   4.761
  436    HB3  GLU  66           HB1      GLU  66   0.801 -17.587   5.119
  437    HG2  GLU  66           HG2      GLU  66  -0.798 -15.804   5.552
  438    HG3  GLU  66           HG1      GLU  66  -2.128 -16.894   5.158
  Start of MODEL   28
    1    H1   GLY   1           HT1      GLY   1  14.940 -16.792 -15.030
    2    H2   GLY   1           HT2      GLY   1  16.260 -15.738 -15.066
    3    H3   GLY   1           HT3      GLY   1  14.747 -15.178 -14.568
    4    HA2  GLY   1           HA1      GLY   1  16.212 -15.517 -12.676
    5    HA3  GLY   1           HA2      GLY   1  14.807 -16.573 -12.623
    6    H    ALA   2           HN       ALA   2  18.245 -16.417 -13.383
    7    HA   ALA   2           HA       ALA   2  18.401 -19.333 -13.495
    8    HB1  ALA   2           HB1      ALA   2  20.686 -19.005 -14.238
    9    HB2  ALA   2           HB2      ALA   2  20.563 -17.276 -13.919
   10    HB3  ALA   2           HB3      ALA   2  19.588 -18.010 -15.192
   11    H    MET   3           HN       MET   3  18.748 -16.838 -11.241
   12    HA   MET   3           HA       MET   3  19.673 -18.673  -9.228
   13    HB2  MET   3           HB2      MET   3  21.598 -17.324  -8.517
   14    HB3  MET   3           HB1      MET   3  21.824 -17.947 -10.143
   15    HG2  MET   3           HG2      MET   3  21.261 -15.792 -11.083
   16    HG3  MET   3           HG1      MET   3  20.924 -15.155  -9.472
   17    HE1  MET   3           HE1      MET   3  24.242 -13.326 -10.555
   18    HE2  MET   3           HE2      MET   3  22.571 -13.109 -10.037
   19    HE3  MET   3           HE3      MET   3  22.919 -13.811 -11.616
   20    H    GLU   4           HN       GLU   4  20.156 -17.131  -7.150
   21    HA   GLU   4           HA       GLU   4  19.310 -15.747  -5.570
   22    HB2  GLU   4           HB2      GLU   4  19.614 -14.018  -7.366
   23    HB3  GLU   4           HB1      GLU   4  17.940 -14.281  -7.828
   24    HG2  GLU   4           HG2      GLU   4  17.265 -13.612  -5.533
   25    HG3  GLU   4           HG1      GLU   4  18.952 -13.208  -5.207
   26    H    GLY   5           HN       GLY   5  18.107 -18.046  -5.635
   27    HA2  GLY   5           HA2      GLY   5  15.244 -17.785  -6.008
   28    HA3  GLY   5           HA1      GLY   5  16.101 -19.209  -5.434
   29    H    GLN   6           HN       GLN   6  13.705 -18.168  -4.339
   30    HA   GLN   6           HA       GLN   6  12.701 -17.614  -2.403
   31    HB2  GLN   6           HB2      GLN   6  14.148 -19.617  -1.763
   32    HB3  GLN   6           HB1      GLN   6  15.242 -18.457  -1.025
   33    HG2  GLN   6           HG2      GLN   6  13.816 -19.340   0.667
   34    HG3  GLN   6           HG1      GLN   6  13.375 -17.660   0.381
   35   HE21  GLN   6          HE21      GLN   6  11.817 -19.838   1.544
   36   HE22  GLN   6          HE22      GLN   6  10.387 -19.969   0.581
   37    H    GLN   7           HN       GLN   7  13.416 -15.421  -3.545
   38    HA   GLN   7           HA       GLN   7  15.117 -13.795  -1.859
   39    HB2  GLN   7           HB2      GLN   7  15.127 -13.480  -4.299
   40    HB3  GLN   7           HB1      GLN   7  13.420 -13.071  -4.259
   41    HG2  GLN   7           HG2      GLN   7  14.811 -11.089  -4.476
   42    HG3  GLN   7           HG1      GLN   7  13.903 -11.074  -2.965
   43   HE21  GLN   7          HE21      GLN   7  14.996 -11.245  -1.028
   44   HE22  GLN   7          HE22      GLN   7  16.712 -11.100  -0.904
   45    H    ASN   8           HN       ASN   8  14.244 -13.357   0.077
   46    HA   ASN   8           HA       ASN   8  11.428 -12.936   0.435
   47    HB2  ASN   8           HB2      ASN   8  13.786 -12.689   2.294
   48    HB3  ASN   8           HB1      ASN   8  12.152 -12.264   2.791
   49   HD21  ASN   8          HD21      ASN   8  13.881 -14.345   3.824
   50   HD22  ASN   8          HD22      ASN   8  13.030 -15.834   3.605
   51    H    LEU   9           HN       LEU   9  11.430 -11.244  -1.246
   52    HA   LEU   9           HA       LEU   9  11.245  -8.691   0.107
   53    HB2  LEU   9           HB2      LEU   9  13.513  -8.651  -0.846
   54    HB3  LEU   9           HB1      LEU   9  12.861  -9.059  -2.420
   55    HG   LEU   9           HG       LEU   9  11.614  -6.898  -2.407
   56   HD11  LEU   9          HD11      LEU   9  13.252  -6.374   0.070
   57   HD12  LEU   9          HD12      LEU   9  11.498  -6.539  -0.009
   58   HD13  LEU   9          HD13      LEU   9  12.291  -5.177  -0.798
   59   HD21  LEU   9          HD21      LEU   9  13.555  -5.512  -2.894
   60   HD22  LEU   9          HD22      LEU   9  13.758  -7.132  -3.561
   61   HD23  LEU   9          HD23      LEU   9  14.603  -6.675  -2.081
   62    H    ALA  10           HN       ALA  10   9.466  -7.621  -0.588
   63    HA   ALA  10           HA       ALA  10   7.866  -8.844  -2.663
   64    HB1  ALA  10           HB1      ALA  10   6.685  -8.117  -0.728
   65    HB2  ALA  10           HB2      ALA  10   6.229  -7.047  -2.051
   66    HB3  ALA  10           HB3      ALA  10   7.383  -6.506  -0.835
   67    HA   PRO  11           HA       PRO  11   9.657  -6.243  -5.830
   68    HB2  PRO  11           HB2      PRO  11   7.297  -7.146  -7.368
   69    HB3  PRO  11           HB1      PRO  11   9.014  -7.302  -7.750
   70    HG2  PRO  11           HG2      PRO  11   7.571  -9.416  -6.992
   71    HG3  PRO  11           HG1      PRO  11   9.258  -9.221  -6.482
   72    HD2  PRO  11           HD2      PRO  11   6.743  -8.716  -4.941
   73    HD3  PRO  11           HD1      PRO  11   8.266  -9.458  -4.406
   74    H    GLY  12           HN       GLY  12   9.332  -4.142  -5.285
   75    HA2  GLY  12           HA2      GLY  12   8.351  -2.087  -5.906
   76    HA3  GLY  12           HA1      GLY  12   6.848  -2.931  -6.239
   77    H    ALA  13           HN       ALA  13   8.545  -3.551  -3.270
   78    HA   ALA  13           HA       ALA  13   6.264  -2.564  -1.789
   79    HB1  ALA  13           HB1      ALA  13   7.274  -4.684  -1.163
   80    HB2  ALA  13           HB2      ALA  13   7.372  -3.531   0.165
   81    HB3  ALA  13           HB3      ALA  13   8.799  -3.873  -0.815
   82    H    ARG  14           HN       ARG  14   6.717  -0.362  -2.566
   83    HA   ARG  14           HA       ARG  14   7.646   1.200  -0.406
   84    HB2  ARG  14           HB2      ARG  14   9.498   2.365  -1.446
   85    HB3  ARG  14           HB1      ARG  14   9.852   0.645  -1.436
   86    HG2  ARG  14           HG2      ARG  14   8.901   0.680  -3.840
   87    HG3  ARG  14           HG1      ARG  14   9.169   2.422  -3.737
   88    HD2  ARG  14           HD2      ARG  14  11.204   0.218  -3.486
   89    HD3  ARG  14           HD1      ARG  14  11.110   1.466  -4.726
   90    HE   ARG  14           HE       ARG  14  11.578   2.253  -1.936
   91   HH11  ARG  14          HH11      ARG  14  12.759   1.926  -5.214
   92   HH12  ARG  14          HH12      ARG  14  14.161   2.910  -4.944
   93   HH21  ARG  14          HH21      ARG  14  13.440   3.538  -1.568
   94   HH22  ARG  14          HH22      ARG  14  14.542   3.835  -2.875
   95    H    CYS  15           HN       CYS  15   7.080   3.475  -0.761
   96    HA   CYS  15           HA       CYS  15   4.650   3.728  -2.121
   97    HB2  CYS  15           HB2      CYS  15   5.210   5.196  -0.263
   98    HB3  CYS  15           HB1      CYS  15   6.543   5.893  -1.180
   99    H    GLY  16           HN       GLY  16   4.456   3.502  -4.253
  100    HA2  GLY  16           HA2      GLY  16   6.505   4.008  -6.122
  101    HA3  GLY  16           HA1      GLY  16   4.812   3.741  -6.507
  102    H    VAL  17           HN       VAL  17   3.977   6.035  -4.837
  103    HA   VAL  17           HA       VAL  17   4.015   8.053  -6.810
  104    HB   VAL  17           HB       VAL  17   3.361   8.285  -3.866
  105   HG11  VAL  17          HG11      VAL  17   2.692  10.146  -6.141
  106   HG12  VAL  17          HG12      VAL  17   3.842  10.465  -4.843
  107   HG13  VAL  17          HG13      VAL  17   2.123  10.303  -4.479
  108   HG21  VAL  17          HG21      VAL  17   1.942   6.672  -4.978
  109   HG22  VAL  17          HG22      VAL  17   1.589   7.826  -6.261
  110   HG23  VAL  17          HG23      VAL  17   1.020   8.131  -4.620
  111    H    CYS  18           HN       CYS  18   5.945   7.524  -3.909
  112    HA   CYS  18           HA       CYS  18   7.396  10.020  -4.395
  113    HB2  CYS  18           HB2      CYS  18   7.446   8.113  -2.049
  114    HB3  CYS  18           HB1      CYS  18   8.429   9.569  -2.168
  115    H    GLY  19           HN       GLY  19   7.696   6.637  -4.808
  116    HA2  GLY  19           HA2      GLY  19   9.398   5.358  -5.695
  117    HA3  GLY  19           HA1      GLY  19  10.310   6.840  -5.964
  118    H    ASP  20           HN       ASP  20   9.020   6.026  -2.855
  119    HA   ASP  20           HA       ASP  20  11.652   5.313  -1.826
  120    HB2  ASP  20           HB2      ASP  20  11.608   7.776  -1.815
  121    HB3  ASP  20           HB1      ASP  20  10.105   7.751  -0.898
  122    H    GLY  21           HN       GLY  21  11.562   4.209   0.153
  123    HA2  GLY  21           HA2      GLY  21   8.822   3.558   1.050
  124    HA3  GLY  21           HA1      GLY  21  10.137   2.397   1.024
  125    H    THR  22           HN       THR  22  10.776   5.645   2.053
  126    HA   THR  22           HA       THR  22  11.460   4.736   4.704
  127    HB   THR  22           HB       THR  22  11.358   7.596   3.730
  128    HG1  THR  22           HG1      THR  22  12.734   6.765   2.294
  129   HG21  THR  22          HG21      THR  22  11.670   7.294   6.144
  130   HG22  THR  22          HG22      THR  22  13.128   7.939   5.390
  131   HG23  THR  22          HG23      THR  22  13.046   6.235   5.836
  132    H    ASP  23           HN       ASP  23  10.197   4.847   6.473
  133    HA   ASP  23           HA       ASP  23   8.342   5.113   7.763
  134    HB2  ASP  23           HB2      ASP  23   9.181   7.435   7.778
  135    HB3  ASP  23           HB1      ASP  23   8.217   7.782   6.359
  136    H    VAL  24           HN       VAL  24   7.707   3.441   5.974
  137    HA   VAL  24           HA       VAL  24   5.532   4.468   4.303
  138    HB   VAL  24           HB       VAL  24   7.574   3.194   3.359
  139   HG11  VAL  24          HG11      VAL  24   5.953   0.850   4.317
  140   HG12  VAL  24          HG12      VAL  24   7.542   1.327   4.911
  141   HG13  VAL  24          HG13      VAL  24   7.352   0.778   3.246
  142   HG21  VAL  24          HG21      VAL  24   6.228   2.226   1.582
  143   HG22  VAL  24          HG22      VAL  24   5.636   3.821   2.048
  144   HG23  VAL  24          HG23      VAL  24   4.789   2.372   2.591
  145    H    LEU  25           HN       LEU  25   3.534   3.393   4.206
  146    HA   LEU  25           HA       LEU  25   2.860   1.986   6.671
  147    HB2  LEU  25           HB2      LEU  25   1.132   3.213   4.520
  148    HB3  LEU  25           HB1      LEU  25   0.509   2.381   5.934
  149    HG   LEU  25           HG       LEU  25   2.165   4.905   5.973
  150   HD11  LEU  25          HD11      LEU  25   0.091   5.973   6.695
  151   HD12  LEU  25          HD12      LEU  25  -0.769   4.449   6.478
  152   HD13  LEU  25          HD13      LEU  25  -0.066   5.270   5.085
  153   HD21  LEU  25          HD21      LEU  25   1.535   4.966   8.360
  154   HD22  LEU  25          HD22      LEU  25   2.565   3.593   7.958
  155   HD23  LEU  25          HD23      LEU  25   0.834   3.356   8.191
  156    H    ARG  26           HN       ARG  26   1.641   0.066   6.653
  157    HA   ARG  26           HA       ARG  26   2.057  -1.569   4.235
  158    HB2  ARG  26           HB2      ARG  26   2.055  -2.498   7.115
  159    HB3  ARG  26           HB1      ARG  26   2.394  -3.482   5.701
  160    HG2  ARG  26           HG2      ARG  26   4.066  -1.168   6.652
  161    HG3  ARG  26           HG1      ARG  26   4.425  -2.874   6.922
  162    HD2  ARG  26           HD2      ARG  26   4.568  -3.220   4.507
  163    HD3  ARG  26           HD1      ARG  26   4.203  -1.517   4.238
  164    HE   ARG  26           HE       ARG  26   6.354  -1.306   5.764
  165   HH11  ARG  26          HH11      ARG  26   5.756  -3.437   3.051
  166   HH12  ARG  26          HH12      ARG  26   7.428  -3.532   2.596
  167   HH21  ARG  26          HH21      ARG  26   8.547  -1.400   5.146
  168   HH22  ARG  26          HH22      ARG  26   9.011  -2.370   3.785
  169    H    CYS  27           HN       CYS  27   0.445  -3.138   3.763
  170    HA   CYS  27           HA       CYS  27  -2.210  -2.382   4.625
  171    HB2  CYS  27           HB2      CYS  27  -1.624  -3.052   2.255
  172    HB3  CYS  27           HB1      CYS  27  -1.445  -4.711   2.835
  173    H    THR  28           HN       THR  28  -3.551  -3.541   5.957
  174    HA   THR  28           HA       THR  28  -2.240  -5.379   7.747
  175    HB   THR  28           HB       THR  28  -4.478  -5.395   8.913
  176    HG1  THR  28           HG1      THR  28  -5.133  -3.234   7.189
  177   HG21  THR  28          HG21      THR  28  -2.700  -3.885   9.616
  178   HG22  THR  28          HG22      THR  28  -4.267  -3.085   9.743
  179   HG23  THR  28          HG23      THR  28  -3.192  -2.710   8.396
  180    H    HIS  29           HN       HIS  29  -4.307  -5.630   5.007
  181    HA   HIS  29           HA       HIS  29  -5.036  -8.377   5.730
  182    HB2  HIS  29           HB2      HIS  29  -6.252  -6.398   3.828
  183    HB3  HIS  29           HB1      HIS  29  -6.622  -8.116   3.717
  184    HD1  HIS  29           HD1      HIS  29  -8.579  -8.825   5.030
  185    HD2  HIS  29           HD2      HIS  29  -6.835  -5.398   6.603
  186    HE1  HIS  29           HE1      HIS  29 -10.027  -8.160   6.971
  187    HE2  HIS  29           HE2      HIS  29  -9.051  -5.989   7.791
  188    H    CYS  30           HN       CYS  30  -3.009  -6.605   3.625
  189    HA   CYS  30           HA       CYS  30  -2.041  -9.091   2.523
  190    HB2  CYS  30           HB2      CYS  30  -2.414  -8.691   0.272
  191    HB3  CYS  30           HB1      CYS  30  -3.890  -8.046   0.975
  192    H    ALA  31           HN       ALA  31  -0.227  -8.192   0.739
  193    HA   ALA  31           HA       ALA  31   1.560  -6.671   2.466
  194    HB1  ALA  31           HB1      ALA  31   2.171  -8.289  -0.006
  195    HB2  ALA  31           HB2      ALA  31   2.359  -8.838   1.660
  196    HB3  ALA  31           HB3      ALA  31   3.359  -7.521   1.049
  197    H    ALA  32           HN       ALA  32   2.057  -4.632   2.051
  198    HA   ALA  32           HA       ALA  32   2.284  -3.544  -0.569
  199    HB1  ALA  32           HB1      ALA  32  -0.075  -2.607   1.063
  200    HB2  ALA  32           HB2      ALA  32  -0.174  -3.589  -0.397
  201    HB3  ALA  32           HB3      ALA  32   0.455  -1.944  -0.482
  202    H    ALA  33           HN       ALA  33   3.159  -1.446  -0.543
  203    HA   ALA  33           HA       ALA  33   3.695  -0.252   2.084
  204    HB1  ALA  33           HB1      ALA  33   6.032   0.122   1.498
  205    HB2  ALA  33           HB2      ALA  33   5.799  -0.737  -0.024
  206    HB3  ALA  33           HB3      ALA  33   5.656  -1.602   1.506
  207    H    PHE  34           HN       PHE  34   2.831   1.694   1.990
  208    HA   PHE  34           HA       PHE  34   3.481   3.505  -0.168
  209    HB2  PHE  34           HB2      PHE  34   1.126   4.032  -0.697
  210    HB3  PHE  34           HB1      PHE  34   1.520   2.364  -1.098
  211    HD1  PHE  34           HD2      PHE  34   0.700   0.521   0.351
  212    HD2  PHE  34           HD1      PHE  34  -0.530   4.557   0.917
  213    HE1  PHE  34           HE2      PHE  34  -1.207  -0.251   1.702
  214    HE2  PHE  34           HE1      PHE  34  -2.434   3.793   2.272
  215    HZ   PHE  34           HZ       PHE  34  -2.771   1.378   2.666
  216    H    HIS  35           HN       HIS  35   2.670   5.730   0.331
  217    HA   HIS  35           HA       HIS  35   2.325   6.111   3.220
  218    HB2  HIS  35           HB2      HIS  35   2.749   8.238   1.101
  219    HB3  HIS  35           HB1      HIS  35   2.769   8.478   2.842
  220    HD2  HIS  35           HD2      HIS  35   4.931   6.155   3.656
  221    HE1  HIS  35           HE1      HIS  35   7.410   8.153   0.856
  222    HE2  HIS  35           HE2      HIS  35   7.372   6.707   2.951
  223    H    TRP  36           HN       TRP  36   0.418   6.845   4.053
  224    HA   TRP  36           HA       TRP  36  -1.925   6.181   2.811
  225    HB2  TRP  36           HB2      TRP  36  -1.723   6.587   5.225
  226    HB3  TRP  36           HB1      TRP  36  -1.594   8.316   4.925
  227    HD1  TRP  36           HD1      TRP  36  -3.806   9.638   4.929
  228    HE1  TRP  36           HE1      TRP  36  -6.307   9.023   4.909
  229    HE3  TRP  36           HE3      TRP  36  -3.390   4.592   4.210
  230    HZ2  TRP  36           HZ2      TRP  36  -7.886   6.702   4.620
  231    HZ3  TRP  36           HZ3      TRP  36  -5.447   3.248   4.070
  232    HH2  TRP  36           HH2      TRP  36  -7.649   4.283   4.272
  233    H    ARG  37           HN       ARG  37  -0.614   9.487   3.049
  234    HA   ARG  37           HA       ARG  37  -2.847  10.654   1.728
  235    HB2  ARG  37           HB2      ARG  37  -0.104  11.835   2.163
  236    HB3  ARG  37           HB1      ARG  37  -1.581  12.720   1.806
  237    HG2  ARG  37           HG2      ARG  37  -2.532  11.881   3.942
  238    HG3  ARG  37           HG1      ARG  37  -0.961  11.152   4.297
  239    HD2  ARG  37           HD2      ARG  37  -1.446  14.091   3.806
  240    HD3  ARG  37           HD1      ARG  37  -1.279  13.342   5.394
  241    HE   ARG  37           HE       ARG  37   0.990  12.599   4.133
  242   HH11  ARG  37          HH11      ARG  37  -0.568  15.689   4.618
  243   HH12  ARG  37          HH12      ARG  37   0.918  16.580   4.622
  244   HH21  ARG  37          HH21      ARG  37   2.952  13.761   4.143
  245   HH22  ARG  37          HH22      ARG  37   2.931  15.483   4.359
  246    H    CYS  38           HN       CYS  38   0.051   9.188   0.603
  247    HA   CYS  38           HA       CYS  38   0.111  10.460  -1.952
  248    HB2  CYS  38           HB2      CYS  38   1.326   7.827  -1.095
  249    HB3  CYS  38           HB1      CYS  38   1.760   8.761  -2.526
  250    H    HIS  39           HN       HIS  39  -1.528   7.759  -0.545
  251    HA   HIS  39           HA       HIS  39  -2.564   6.867  -3.126
  252    HB2  HIS  39           HB2      HIS  39  -2.398   5.741  -0.409
  253    HB3  HIS  39           HB1      HIS  39  -3.901   5.395  -1.253
  254    HD1  HIS  39           HD1      HIS  39  -3.658   3.055  -1.988
  255    HD2  HIS  39           HD2      HIS  39  -0.249   5.287  -2.780
  256    HE1  HIS  39           HE1      HIS  39  -2.098   1.491  -3.191
  257    HE2  HIS  39           HE2      HIS  39  -0.170   2.956  -3.897
  258    H    PHE  40           HN       PHE  40  -3.767   8.059  -0.010
  259    HA   PHE  40           HA       PHE  40  -6.317   8.768  -1.309
  260    HB2  PHE  40           HB2      PHE  40  -5.721   8.231   1.613
  261    HB3  PHE  40           HB1      PHE  40  -7.288   8.704   0.971
  262    HD1  PHE  40           HD1      PHE  40  -4.781   6.006   1.076
  263    HD2  PHE  40           HD2      PHE  40  -8.738   7.120  -0.020
  264    HE1  PHE  40           HE1      PHE  40  -5.356   3.634   0.759
  265    HE2  PHE  40           HE2      PHE  40  -9.319   4.752  -0.343
  266    HZ   PHE  40           HZ       PHE  40  -7.627   3.004   0.047
  267    HA   PRO  41           HA       PRO  41  -4.779  12.873  -0.048
  268    HB2  PRO  41           HB2      PRO  41  -4.849  14.081  -2.419
  269    HB3  PRO  41           HB1      PRO  41  -3.553  12.947  -2.023
  270    HG2  PRO  41           HG2      PRO  41  -5.892  12.591  -3.814
  271    HG3  PRO  41           HG1      PRO  41  -4.284  11.853  -3.900
  272    HD2  PRO  41           HD2      PRO  41  -6.671  10.719  -2.808
  273    HD3  PRO  41           HD1      PRO  41  -5.042  10.016  -2.813
  274    H    ALA  42           HN       ALA  42  -7.660  11.579  -0.885
  275    HA   ALA  42           HA       ALA  42  -9.103  13.976  -1.621
  276    HB1  ALA  42           HB1      ALA  42 -11.030  12.480  -1.835
  277    HB2  ALA  42           HB2      ALA  42 -10.072  11.158  -1.168
  278    HB3  ALA  42           HB3      ALA  42  -9.628  11.874  -2.716
  279    H    GLY  43           HN       GLY  43  -8.083  12.826   1.285
  280    HA2  GLY  43           HA2      GLY  43  -8.651  13.961   3.303
  281    HA3  GLY  43           HA1      GLY  43 -10.255  14.252   2.650
  282    H    THR  44           HN       THR  44  -8.445  11.226   2.799
  283    HA   THR  44           HA       THR  44 -10.718  10.004   4.171
  284    HB   THR  44           HB       THR  44  -8.294   8.556   3.100
  285    HG1  THR  44           HG1      THR  44 -10.363   9.803   1.730
  286   HG21  THR  44          HG21      THR  44  -9.829   7.303   4.567
  287   HG22  THR  44          HG22      THR  44  -9.848   6.684   2.916
  288   HG23  THR  44          HG23      THR  44 -11.167   7.702   3.491
  289    H    SER  45           HN       SER  45 -10.511   8.987   6.167
  290    HA   SER  45           HA       SER  45  -8.303   9.957   7.782
  291    HB2  SER  45           HB2      SER  45 -10.751   8.376   8.605
  292    HB3  SER  45           HB1      SER  45  -9.639   9.226   9.679
  293    HG   SER  45           HG       SER  45 -10.338  11.062   8.056
  294    H    ARG  46           HN       ARG  46  -6.574   8.787   8.242
  295    HA   ARG  46           HA       ARG  46  -6.256   6.131   7.290
  296    HB2  ARG  46           HB2      ARG  46  -4.405   7.771   7.440
  297    HB3  ARG  46           HB1      ARG  46  -4.503   7.697   9.194
  298    HG2  ARG  46           HG2      ARG  46  -3.905   5.331   9.130
  299    HG3  ARG  46           HG1      ARG  46  -3.811   5.405   7.371
  300    HD2  ARG  46           HD2      ARG  46  -1.591   5.568   8.221
  301    HD3  ARG  46           HD1      ARG  46  -2.050   7.156   7.612
  302    HE   ARG  46           HE       ARG  46  -2.654   7.094  10.330
  303   HH11  ARG  46          HH11      ARG  46   0.180   6.935   8.284
  304   HH12  ARG  46          HH12      ARG  46   1.235   7.638   9.465
  305   HH21  ARG  46          HH21      ARG  46  -1.262   8.026  11.892
  306   HH22  ARG  46          HH22      ARG  46   0.414   8.262  11.510
  307    HA   PRO  47           HA       PRO  47  -7.987   4.250  11.004
  308    HB2  PRO  47           HB2      PRO  47  -8.023   1.720  10.038
  309    HB3  PRO  47           HB1      PRO  47  -9.260   2.919   9.642
  310    HG2  PRO  47           HG2      PRO  47  -6.929   1.995   8.030
  311    HG3  PRO  47           HG1      PRO  47  -8.570   2.399   7.501
  312    HD2  PRO  47           HD2      PRO  47  -6.411   4.070   7.236
  313    HD3  PRO  47           HD1      PRO  47  -8.093   4.630   7.342
  314    H    GLY  48           HN       GLY  48  -7.035   3.270  12.716
  315    HA2  GLY  48           HA2      GLY  48  -4.219   2.537  12.430
  316    HA3  GLY  48           HA1      GLY  48  -5.059   2.854  13.940
  317    H    THR  49           HN       THR  49  -7.232   1.029  12.572
  318    HA   THR  49           HA       THR  49  -6.190  -1.412  13.767
  319    HB   THR  49           HB       THR  49  -8.601  -2.194  13.429
  320    HG1  THR  49           HG1      THR  49 -10.048  -0.269  13.300
  321   HG21  THR  49          HG21      THR  49  -7.721  -1.500  15.604
  322   HG22  THR  49          HG22      THR  49  -9.391  -0.972  15.402
  323   HG23  THR  49          HG23      THR  49  -8.072   0.184  15.214
  324    H    GLY  50           HN       GLY  50  -8.300  -0.830  11.000
  325    HA2  GLY  50           HA2      GLY  50  -6.894  -2.994   9.581
  326    HA3  GLY  50           HA1      GLY  50  -8.552  -2.496   9.275
  327    H    LEU  51           HN       LEU  51  -5.193  -1.394   9.046
  328    HA   LEU  51           HA       LEU  51  -5.769   0.706   7.208
  329    HB2  LEU  51           HB2      LEU  51  -3.686   0.346   8.719
  330    HB3  LEU  51           HB1      LEU  51  -3.112  -0.686   7.430
  331    HG   LEU  51           HG       LEU  51  -2.166   1.605   7.364
  332   HD11  LEU  51          HD11      LEU  51  -2.520   2.024   4.995
  333   HD12  LEU  51          HD12      LEU  51  -3.904   0.931   5.003
  334   HD13  LEU  51          HD13      LEU  51  -2.284   0.305   5.312
  335   HD21  LEU  51          HD21      LEU  51  -3.543   3.476   6.707
  336   HD22  LEU  51          HD22      LEU  51  -4.131   2.787   8.219
  337   HD23  LEU  51          HD23      LEU  51  -4.977   2.452   6.709
  338    H    ARG  52           HN       ARG  52  -6.216   0.542   5.108
  339    HA   ARG  52           HA       ARG  52  -5.742  -2.056   3.805
  340    HB2  ARG  52           HB2      ARG  52  -7.870   0.008   3.208
  341    HB3  ARG  52           HB1      ARG  52  -7.656  -1.513   2.357
  342    HG2  ARG  52           HG2      ARG  52  -8.171  -2.726   4.422
  343    HG3  ARG  52           HG1      ARG  52  -8.432  -1.183   5.247
  344    HD2  ARG  52           HD2      ARG  52 -10.165  -0.652   3.532
  345    HD3  ARG  52           HD1      ARG  52  -9.975  -2.286   2.905
  346    HE   ARG  52           HE       ARG  52 -10.634  -2.039   5.726
  347   HH11  ARG  52          HH11      ARG  52 -11.721  -2.689   2.461
  348   HH12  ARG  52          HH12      ARG  52 -13.239  -3.361   2.963
  349   HH21  ARG  52          HH21      ARG  52 -12.633  -2.924   6.388
  350   HH22  ARG  52          HH22      ARG  52 -13.756  -3.493   5.195
  351    H    CYS  53           HN       CYS  53  -4.885  -2.106   1.784
  352    HA   CYS  53           HA       CYS  53  -3.669   0.289   0.722
  353    HB2  CYS  53           HB2      CYS  53  -2.697  -1.154  -0.944
  354    HB3  CYS  53           HB1      CYS  53  -2.576  -1.979   0.608
  355    H    ARG  54           HN       ARG  54  -4.018   0.160  -1.988
  356    HA   ARG  54           HA       ARG  54  -6.651   1.208  -2.261
  357    HB2  ARG  54           HB2      ARG  54  -4.688   1.942  -3.632
  358    HB3  ARG  54           HB1      ARG  54  -4.763   0.403  -4.476
  359    HG2  ARG  54           HG2      ARG  54  -7.078   0.959  -5.180
  360    HG3  ARG  54           HG1      ARG  54  -6.874   2.549  -4.443
  361    HD2  ARG  54           HD2      ARG  54  -6.447   2.703  -6.810
  362    HD3  ARG  54           HD1      ARG  54  -4.942   2.946  -5.926
  363    HE   ARG  54           HE       ARG  54  -5.654   0.362  -7.154
  364   HH11  ARG  54          HH11      ARG  54  -3.355   2.946  -6.545
  365   HH12  ARG  54          HH12      ARG  54  -2.058   2.151  -7.377
  366   HH21  ARG  54          HH21      ARG  54  -3.941  -0.673  -8.249
  367   HH22  ARG  54          HH22      ARG  54  -2.392   0.103  -8.346
  368    H    SER  55           HN       SER  55  -5.080  -1.794  -3.250
  369    HA   SER  55           HA       SER  55  -7.168  -2.869  -4.757
  370    HB2  SER  55           HB2      SER  55  -4.909  -3.786  -4.818
  371    HB3  SER  55           HB1      SER  55  -5.043  -4.288  -3.135
  372    HG   SER  55           HG       SER  55  -7.057  -5.216  -4.806
  373    H    CYS  56           HN       CYS  56  -6.430  -3.308  -1.294
  374    HA   CYS  56           HA       CYS  56  -8.622  -5.076  -0.872
  375    HB2  CYS  56           HB2      CYS  56  -6.920  -3.540   1.089
  376    HB3  CYS  56           HB1      CYS  56  -8.127  -4.733   1.554
  377    H    SER  57           HN       SER  57  -8.407  -1.679  -1.113
  378    HA   SER  57           HA       SER  57 -10.897  -1.238   0.326
  379    HB2  SER  57           HB2      SER  57  -9.197   0.712  -1.252
  380    HB3  SER  57           HB1      SER  57 -10.554   1.131  -0.207
  381    HG   SER  57           HG       SER  57  -7.965   0.344   0.450
  382    H    GLY  58           HN       GLY  58  -9.973  -2.256  -2.710
  383    HA2  GLY  58           HA2      GLY  58 -12.405  -1.147  -3.962
  384    HA3  GLY  58           HA1      GLY  58 -10.952  -1.590  -4.847
  385    H    ASP  59           HN       ASP  59 -10.299  -3.992  -4.407
  386    HA   ASP  59           HA       ASP  59 -12.685  -5.549  -5.043
  387    HB2  ASP  59           HB2      ASP  59 -11.136  -7.281  -5.847
  388    HB3  ASP  59           HB1      ASP  59 -10.838  -5.737  -6.628
  389    H    VAL  60           HN       VAL  60 -13.602  -6.814  -3.631
  390    HA   VAL  60           HA       VAL  60 -12.037  -8.177  -1.616
  391    HB   VAL  60           HB       VAL  60 -12.577  -6.072  -0.486
  392   HG11  VAL  60          HG11      VAL  60 -15.459  -6.795  -0.991
  393   HG12  VAL  60          HG12      VAL  60 -14.576  -5.451  -1.715
  394   HG13  VAL  60          HG13      VAL  60 -14.894  -5.465   0.019
  395   HG21  VAL  60          HG21      VAL  60 -12.459  -8.089   0.861
  396   HG22  VAL  60          HG22      VAL  60 -14.167  -8.409   0.567
  397   HG23  VAL  60          HG23      VAL  60 -13.684  -6.995   1.502
  398    H    THR  61           HN       THR  61 -12.882 -10.128  -1.106
  399    HA   THR  61           HA       THR  61 -15.124 -11.064  -2.640
  400    HB   THR  61           HB       THR  61 -13.519 -12.506  -0.519
  401    HG1  THR  61           HG1      THR  61 -12.678 -11.625  -2.810
  402   HG21  THR  61          HG21      THR  61 -15.674 -13.572  -1.000
  403   HG22  THR  61          HG22      THR  61 -14.333 -14.542  -1.609
  404   HG23  THR  61          HG23      THR  61 -15.293 -13.568  -2.722
  405    HA   PRO  62           HA       PRO  62 -17.999 -10.016   0.645
  406    HB2  PRO  62           HB2      PRO  62 -20.239 -10.822  -0.649
  407    HB3  PRO  62           HB1      PRO  62 -19.428  -9.292  -1.002
  408    HG2  PRO  62           HG2      PRO  62 -19.292 -11.894  -2.468
  409    HG3  PRO  62           HG1      PRO  62 -19.402 -10.247  -3.116
  410    HD2  PRO  62           HD2      PRO  62 -17.070 -11.642  -2.993
  411    HD3  PRO  62           HD1      PRO  62 -17.145  -9.873  -2.886
  412    H    ALA  63           HN       ALA  63 -19.293 -11.145   2.121
  413    HA   ALA  63           HA       ALA  63 -18.693 -13.988   2.285
  414    HB1  ALA  63           HB1      ALA  63 -19.542 -13.816   4.574
  415    HB2  ALA  63           HB2      ALA  63 -20.023 -12.146   4.276
  416    HB3  ALA  63           HB3      ALA  63 -18.316 -12.589   4.259
  417    HA   PRO  64           HA       PRO  64 -22.647 -15.140   0.595
  418    HB2  PRO  64           HB2      PRO  64 -22.726 -17.655   1.752
  419    HB3  PRO  64           HB1      PRO  64 -21.923 -17.267   0.229
  420    HG2  PRO  64           HG2      PRO  64 -20.763 -17.567   2.960
  421    HG3  PRO  64           HG1      PRO  64 -20.097 -18.066   1.395
  422    HD2  PRO  64           HD2      PRO  64 -19.221 -15.872   2.673
  423    HD3  PRO  64           HD1      PRO  64 -19.332 -15.938   0.901
  424    H    VAL  65           HN       VAL  65 -24.365 -14.172   1.467
  425    HA   VAL  65           HA       VAL  65 -25.220 -14.970   4.158
  426    HB   VAL  65           HB       VAL  65 -24.029 -12.818   4.345
  427   HG11  VAL  65          HG11      VAL  65 -24.413 -11.957   2.113
  428   HG12  VAL  65          HG12      VAL  65 -24.955 -10.796   3.324
  429   HG13  VAL  65          HG13      VAL  65 -26.134 -11.779   2.458
  430   HG21  VAL  65          HG21      VAL  65 -25.818 -13.249   5.907
  431   HG22  VAL  65          HG22      VAL  65 -27.009 -12.626   4.765
  432   HG23  VAL  65          HG23      VAL  65 -25.813 -11.541   5.473
  433    H    GLU  66           HN       GLU  66 -27.475 -14.858   4.506
  434    HA   GLU  66           HA       GLU  66 -29.019 -14.880   2.015
  435    HB2  GLU  66           HB2      GLU  66 -29.719 -16.009   4.731
  436    HB3  GLU  66           HB1      GLU  66 -30.678 -16.180   3.268
  437    HG2  GLU  66           HG2      GLU  66 -28.866 -17.432   2.219
  438    HG3  GLU  66           HG1      GLU  66 -27.899 -17.260   3.681
  Start of MODEL   29
    1    H1   GLY   1           HT1      GLY   1  19.806 -28.872  -5.269
    2    H2   GLY   1           HT2      GLY   1  21.040 -27.768  -5.605
    3    H3   GLY   1           HT3      GLY   1  20.327 -28.645  -6.858
    4    HA2  GLY   1           HA1      GLY   1  18.215 -27.539  -6.473
    5    HA3  GLY   1           HA2      GLY   1  18.962 -26.620  -5.176
    6    H    ALA   2           HN       ALA   2  21.325 -26.970  -7.413
    7    HA   ALA   2           HA       ALA   2  22.342 -25.577  -8.880
    8    HB1  ALA   2           HB1      ALA   2  20.995 -24.681 -10.698
    9    HB2  ALA   2           HB2      ALA   2  19.522 -25.009  -9.785
   10    HB3  ALA   2           HB3      ALA   2  20.534 -26.344 -10.335
   11    H    MET   3           HN       MET   3  22.077 -24.488  -6.376
   12    HA   MET   3           HA       MET   3  22.058 -21.662  -7.025
   13    HB2  MET   3           HB2      MET   3  20.644 -21.105  -5.050
   14    HB3  MET   3           HB1      MET   3  19.779 -21.932  -6.335
   15    HG2  MET   3           HG2      MET   3  20.011 -24.045  -5.071
   16    HG3  MET   3           HG1      MET   3  20.760 -23.138  -3.758
   17    HE1  MET   3           HE1      MET   3  17.805 -20.760  -2.689
   18    HE2  MET   3           HE2      MET   3  19.056 -20.416  -3.881
   19    HE3  MET   3           HE3      MET   3  19.475 -21.225  -2.372
   20    H    GLU   4           HN       GLU   4  23.984 -21.037  -6.413
   21    HA   GLU   4           HA       GLU   4  25.334 -22.233  -4.143
   22    HB2  GLU   4           HB2      GLU   4  26.169 -20.024  -6.031
   23    HB3  GLU   4           HB1      GLU   4  27.193 -20.708  -4.777
   24    HG2  GLU   4           HG2      GLU   4  26.060 -22.201  -7.129
   25    HG3  GLU   4           HG1      GLU   4  27.717 -21.618  -6.972
   26    H    GLY   5           HN       GLY   5  24.577 -18.909  -5.136
   27    HA2  GLY   5           HA2      GLY   5  23.886 -18.289  -2.342
   28    HA3  GLY   5           HA1      GLY   5  25.025 -17.262  -3.206
   29    H    GLN   6           HN       GLN   6  21.835 -18.723  -3.761
   30    HA   GLN   6           HA       GLN   6  21.033 -16.271  -5.164
   31    HB2  GLN   6           HB2      GLN   6  20.949 -18.451  -6.407
   32    HB3  GLN   6           HB1      GLN   6  19.741 -19.005  -5.261
   33    HG2  GLN   6           HG2      GLN   6  18.274 -17.147  -5.968
   34    HG3  GLN   6           HG1      GLN   6  19.476 -16.701  -7.178
   35   HE21  GLN   6          HE21      GLN   6  18.767 -20.012  -6.328
   36   HE22  GLN   6          HE22      GLN   6  18.015 -20.441  -7.820
   37    H    GLN   7           HN       GLN   7  20.938 -15.610  -2.741
   38    HA   GLN   7           HA       GLN   7  18.158 -16.003  -1.851
   39    HB2  GLN   7           HB2      GLN   7  20.591 -15.746  -0.076
   40    HB3  GLN   7           HB1      GLN   7  18.927 -15.815   0.483
   41    HG2  GLN   7           HG2      GLN   7  18.729 -18.071  -0.486
   42    HG3  GLN   7           HG1      GLN   7  20.428 -17.993  -0.951
   43   HE21  GLN   7          HE21      GLN   7  19.134 -16.665   2.020
   44   HE22  GLN   7          HE22      GLN   7  19.919 -17.784   3.082
   45    H    ASN   8           HN       ASN   8  18.651 -13.991  -3.517
   46    HA   ASN   8           HA       ASN   8  19.363 -11.559  -2.194
   47    HB2  ASN   8           HB2      ASN   8  17.925 -12.094  -4.802
   48    HB3  ASN   8           HB1      ASN   8  18.350 -10.484  -4.242
   49   HD21  ASN   8          HD21      ASN   8  20.505  -9.861  -4.199
   50   HD22  ASN   8          HD22      ASN   8  21.728 -10.720  -5.070
   51    H    LEU   9           HN       LEU   9  18.160 -10.835  -0.550
   52    HA   LEU   9           HA       LEU   9  15.345 -11.435  -0.390
   53    HB2  LEU   9           HB2      LEU   9  17.054  -9.722   1.412
   54    HB3  LEU   9           HB1      LEU   9  15.417 -10.244   1.751
   55    HG   LEU   9           HG       LEU   9  17.845 -12.022   1.524
   56   HD11  LEU   9          HD11      LEU   9  17.462 -12.425   3.900
   57   HD12  LEU   9          HD12      LEU   9  16.120 -11.282   3.881
   58   HD13  LEU   9          HD13      LEU   9  17.761 -10.717   3.579
   59   HD21  LEU   9          HD21      LEU   9  15.870 -13.149   0.658
   60   HD22  LEU   9          HD22      LEU   9  14.974 -12.728   2.116
   61   HD23  LEU   9          HD23      LEU   9  16.348 -13.829   2.211
   62    H    ALA  10           HN       ALA  10  14.738 -10.337  -2.333
   63    HA   ALA  10           HA       ALA  10  14.891  -7.508  -2.586
   64    HB1  ALA  10           HB1      ALA  10  13.002  -9.472  -3.881
   65    HB2  ALA  10           HB2      ALA  10  14.573  -8.982  -4.512
   66    HB3  ALA  10           HB3      ALA  10  13.265  -7.805  -4.389
   67    HA   PRO  11           HA       PRO  11  11.700  -6.588   0.428
   68    HB2  PRO  11           HB2      PRO  11  11.800  -3.912  -0.798
   69    HB3  PRO  11           HB1      PRO  11  12.065  -4.385   0.883
   70    HG2  PRO  11           HG2      PRO  11  14.093  -3.616  -0.693
   71    HG3  PRO  11           HG1      PRO  11  14.293  -4.881   0.533
   72    HD2  PRO  11           HD2      PRO  11  13.962  -5.146  -2.431
   73    HD3  PRO  11           HD1      PRO  11  15.010  -6.058  -1.325
   74    H    GLY  12           HN       GLY  12  11.543  -5.259  -2.827
   75    HA2  GLY  12           HA2      GLY  12   9.911  -5.509  -4.442
   76    HA3  GLY  12           HA1      GLY  12   9.031  -6.546  -3.333
   77    H    ALA  13           HN       ALA  13   8.379  -5.040  -1.263
   78    HA   ALA  13           HA       ALA  13   6.342  -3.365  -2.421
   79    HB1  ALA  13           HB1      ALA  13   5.433  -3.247  -0.176
   80    HB2  ALA  13           HB2      ALA  13   6.893  -3.989   0.475
   81    HB3  ALA  13           HB3      ALA  13   5.834  -4.913  -0.588
   82    H    ARG  14           HN       ARG  14   6.519  -1.286  -2.774
   83    HA   ARG  14           HA       ARG  14   7.702   0.502  -0.834
   84    HB2  ARG  14           HB2      ARG  14   9.675  -0.133  -2.189
   85    HB3  ARG  14           HB1      ARG  14   8.825   0.350  -3.651
   86    HG2  ARG  14           HG2      ARG  14   8.692   2.660  -2.726
   87    HG3  ARG  14           HG1      ARG  14   9.714   2.127  -1.389
   88    HD2  ARG  14           HD2      ARG  14  10.462   1.998  -4.307
   89    HD3  ARG  14           HD1      ARG  14  10.980   3.253  -3.183
   90    HE   ARG  14           HE       ARG  14  11.729   0.852  -2.043
   91   HH11  ARG  14          HH11      ARG  14  12.398   2.578  -5.014
   92   HH12  ARG  14          HH12      ARG  14  14.006   1.949  -5.166
   93   HH21  ARG  14          HH21      ARG  14  13.849   0.018  -2.244
   94   HH22  ARG  14          HH22      ARG  14  14.828   0.487  -3.598
   95    H    CYS  15           HN       CYS  15   6.870   2.590  -1.061
   96    HA   CYS  15           HA       CYS  15   4.453   2.826  -2.548
   97    HB2  CYS  15           HB2      CYS  15   4.770   3.924  -0.379
   98    HB3  CYS  15           HB1      CYS  15   6.082   4.887  -1.043
   99    H    GLY  16           HN       GLY  16   4.595   2.891  -4.707
  100    HA2  GLY  16           HA2      GLY  16   6.861   4.173  -6.004
  101    HA3  GLY  16           HA1      GLY  16   5.619   3.203  -6.783
  102    H    VAL  17           HN       VAL  17   3.892   5.168  -4.932
  103    HA   VAL  17           HA       VAL  17   3.081   6.879  -7.040
  104    HB   VAL  17           HB       VAL  17   2.560   7.252  -4.087
  105   HG11  VAL  17          HG11      VAL  17   1.029   8.199  -6.508
  106   HG12  VAL  17          HG12      VAL  17   2.005   9.204  -5.438
  107   HG13  VAL  17          HG13      VAL  17   0.544   8.429  -4.827
  108   HG21  VAL  17          HG21      VAL  17   0.496   5.986  -4.438
  109   HG22  VAL  17          HG22      VAL  17   1.919   5.002  -4.781
  110   HG23  VAL  17          HG23      VAL  17   0.971   5.675  -6.107
  111    H    CYS  18           HN       CYS  18   5.393   7.124  -4.462
  112    HA   CYS  18           HA       CYS  18   6.140   9.793  -5.439
  113    HB2  CYS  18           HB2      CYS  18   7.069  10.258  -3.213
  114    HB3  CYS  18           HB1      CYS  18   5.354   9.871  -3.112
  115    H    GLY  19           HN       GLY  19   7.271   6.647  -4.304
  116    HA2  GLY  19           HA2      GLY  19   9.079   5.598  -5.566
  117    HA3  GLY  19           HA1      GLY  19   9.843   7.179  -5.655
  118    H    ASP  20           HN       ASP  20   8.611   7.153  -2.686
  119    HA   ASP  20           HA       ASP  20  11.124   6.164  -1.523
  120    HB2  ASP  20           HB2      ASP  20  10.798   8.547  -1.207
  121    HB3  ASP  20           HB1      ASP  20   9.187   8.277  -0.553
  122    H    GLY  21           HN       GLY  21  11.084   4.882   0.328
  123    HA2  GLY  21           HA2      GLY  21   8.438   3.745   1.016
  124    HA3  GLY  21           HA1      GLY  21   9.910   2.789   0.929
  125    H    THR  22           HN       THR  22  10.255   5.939   2.237
  126    HA   THR  22           HA       THR  22  11.095   4.808   4.756
  127    HB   THR  22           HB       THR  22  10.922   7.742   4.061
  128    HG1  THR  22           HG1      THR  22  12.213   7.068   2.459
  129   HG21  THR  22          HG21      THR  22  12.778   6.205   5.884
  130   HG22  THR  22          HG22      THR  22  11.399   7.168   6.411
  131   HG23  THR  22          HG23      THR  22  12.775   7.950   5.631
  132    H    ASP  23           HN       ASP  23  10.033   4.891   6.677
  133    HA   ASP  23           HA       ASP  23   8.202   4.847   8.033
  134    HB2  ASP  23           HB2      ASP  23   8.315   7.658   7.031
  135    HB3  ASP  23           HB1      ASP  23   6.914   7.161   7.970
  136    H    VAL  24           HN       VAL  24   7.582   3.333   6.127
  137    HA   VAL  24           HA       VAL  24   5.350   4.378   4.571
  138    HB   VAL  24           HB       VAL  24   7.320   3.153   3.523
  139   HG11  VAL  24          HG11      VAL  24   7.503   1.334   5.124
  140   HG12  VAL  24          HG12      VAL  24   7.246   0.722   3.489
  141   HG13  VAL  24          HG13      VAL  24   5.913   0.743   4.644
  142   HG21  VAL  24          HG21      VAL  24   4.580   2.067   2.938
  143   HG22  VAL  24          HG22      VAL  24   5.958   2.116   1.835
  144   HG23  VAL  24          HG23      VAL  24   5.204   3.616   2.372
  145    H    LEU  25           HN       LEU  25   3.321   3.407   4.540
  146    HA   LEU  25           HA       LEU  25   2.644   1.921   6.936
  147    HB2  LEU  25           HB2      LEU  25   0.962   3.083   4.713
  148    HB3  LEU  25           HB1      LEU  25   0.295   2.137   6.031
  149    HG   LEU  25           HG       LEU  25   1.749   4.767   6.324
  150   HD11  LEU  25          HD11      LEU  25  -1.172   4.086   6.603
  151   HD12  LEU  25          HD12      LEU  25  -0.445   4.998   5.280
  152   HD13  LEU  25          HD13      LEU  25  -0.438   5.660   6.915
  153   HD21  LEU  25          HD21      LEU  25   0.373   3.013   8.356
  154   HD22  LEU  25          HD22      LEU  25   0.944   4.653   8.656
  155   HD23  LEU  25          HD23      LEU  25   2.098   3.377   8.272
  156    H    ARG  26           HN       ARG  26   1.798  -0.111   6.964
  157    HA   ARG  26           HA       ARG  26   2.270  -1.702   4.540
  158    HB2  ARG  26           HB2      ARG  26   2.239  -2.504   7.456
  159    HB3  ARG  26           HB1      ARG  26   2.456  -3.620   6.120
  160    HG2  ARG  26           HG2      ARG  26   4.297  -1.323   6.747
  161    HG3  ARG  26           HG1      ARG  26   4.568  -2.998   7.231
  162    HD2  ARG  26           HD2      ARG  26   4.339  -1.978   4.400
  163    HD3  ARG  26           HD1      ARG  26   5.829  -2.448   5.218
  164    HE   ARG  26           HE       ARG  26   3.742  -4.468   5.025
  165   HH11  ARG  26          HH11      ARG  26   6.744  -3.185   3.766
  166   HH12  ARG  26          HH12      ARG  26   7.180  -4.653   2.951
  167   HH21  ARG  26          HH21      ARG  26   4.305  -6.403   3.955
  168   HH22  ARG  26          HH22      ARG  26   5.793  -6.494   3.070
  169    H    CYS  27           HN       CYS  27   0.692  -3.089   3.802
  170    HA   CYS  27           HA       CYS  27  -2.006  -2.497   4.567
  171    HB2  CYS  27           HB2      CYS  27  -1.207  -3.127   2.218
  172    HB3  CYS  27           HB1      CYS  27  -1.132  -4.798   2.794
  173    H    THR  28           HN       THR  28  -3.359  -3.667   5.845
  174    HA   THR  28           HA       THR  28  -2.149  -5.795   7.418
  175    HB   THR  28           HB       THR  28  -4.241  -5.647   8.762
  176    HG1  THR  28           HG1      THR  28  -5.860  -4.438   8.101
  177   HG21  THR  28          HG21      THR  28  -2.843  -3.012   8.291
  178   HG22  THR  28          HG22      THR  28  -2.281  -4.302   9.354
  179   HG23  THR  28          HG23      THR  28  -3.776  -3.444   9.722
  180    H    HIS  29           HN       HIS  29  -4.256  -5.425   4.760
  181    HA   HIS  29           HA       HIS  29  -5.534  -8.015   5.160
  182    HB2  HIS  29           HB2      HIS  29  -5.926  -5.850   3.091
  183    HB3  HIS  29           HB1      HIS  29  -6.727  -7.414   3.000
  184    HD1  HIS  29           HD1      HIS  29  -8.967  -7.487   4.049
  185    HD2  HIS  29           HD2      HIS  29  -6.588  -4.489   5.682
  186    HE1  HIS  29           HE1      HIS  29 -10.444  -6.254   5.668
  187    HE2  HIS  29           HE2      HIS  29  -8.941  -4.553   6.760
  188    H    CYS  30           HN       CYS  30  -2.958  -6.579   3.376
  189    HA   CYS  30           HA       CYS  30  -2.159  -9.197   2.465
  190    HB2  CYS  30           HB2      CYS  30  -2.081  -8.775   0.159
  191    HB3  CYS  30           HB1      CYS  30  -3.624  -8.078   0.637
  192    H    ALA  31           HN       ALA  31  -0.048  -8.390   0.826
  193    HA   ALA  31           HA       ALA  31   1.603  -6.904   2.730
  194    HB1  ALA  31           HB1      ALA  31   2.368  -9.174   2.198
  195    HB2  ALA  31           HB2      ALA  31   3.527  -7.952   1.677
  196    HB3  ALA  31           HB3      ALA  31   2.474  -8.731   0.495
  197    H    ALA  32           HN       ALA  32   1.882  -4.829   2.247
  198    HA   ALA  32           HA       ALA  32   2.761  -3.998  -0.348
  199    HB1  ALA  32           HB1      ALA  32   0.914  -2.452  -0.836
  200    HB2  ALA  32           HB2      ALA  32   0.029  -3.075   0.555
  201    HB3  ALA  32           HB3      ALA  32   0.365  -4.129  -0.818
  202    H    ALA  33           HN       ALA  33   3.773  -2.052  -0.279
  203    HA   ALA  33           HA       ALA  33   3.767  -0.630   2.302
  204    HB1  ALA  33           HB1      ALA  33   6.008   0.134   1.754
  205    HB2  ALA  33           HB2      ALA  33   5.933  -0.696   0.201
  206    HB3  ALA  33           HB3      ALA  33   5.936  -1.626   1.700
  207    H    PHE  34           HN       PHE  34   2.729   1.243   2.260
  208    HA   PHE  34           HA       PHE  34   2.833   2.917  -0.122
  209    HB2  PHE  34           HB2      PHE  34   0.388   3.142  -0.227
  210    HB3  PHE  34           HB1      PHE  34   0.886   1.478  -0.507
  211    HD1  PHE  34           HD2      PHE  34   0.638  -0.193   1.343
  212    HD2  PHE  34           HD1      PHE  34  -1.064   3.702   1.529
  213    HE1  PHE  34           HE2      PHE  34  -0.882  -0.949   3.120
  214    HE2  PHE  34           HE1      PHE  34  -2.590   2.954   3.305
  215    HZ   PHE  34           HZ       PHE  34  -2.499   0.624   4.104
  216    H    HIS  35           HN       HIS  35   2.189   5.091   0.268
  217    HA   HIS  35           HA       HIS  35   2.096   5.830   3.112
  218    HB2  HIS  35           HB2      HIS  35   2.667   7.502   0.653
  219    HB3  HIS  35           HB1      HIS  35   2.572   8.141   2.283
  220    HD2  HIS  35           HD2      HIS  35   4.440   5.747   3.664
  221    HE1  HIS  35           HE1      HIS  35   7.324   7.281   0.967
  222    HE2  HIS  35           HE2      HIS  35   6.973   6.103   3.193
  223    H    TRP  36           HN       TRP  36   0.302   6.673   3.970
  224    HA   TRP  36           HA       TRP  36  -2.174   6.454   2.709
  225    HB2  TRP  36           HB2      TRP  36  -1.822   6.515   5.173
  226    HB3  TRP  36           HB1      TRP  36  -1.492   8.239   5.056
  227    HD1  TRP  36           HD1      TRP  36  -3.545   9.836   5.110
  228    HE1  TRP  36           HE1      TRP  36  -6.095   9.504   5.220
  229    HE3  TRP  36           HE3      TRP  36  -3.729   4.797   4.303
  230    HZ2  TRP  36           HZ2      TRP  36  -7.938   7.378   4.985
  231    HZ3  TRP  36           HZ3      TRP  36  -5.923   3.686   4.271
  232    HH2  TRP  36           HH2      TRP  36  -7.984   4.954   4.599
  233    H    ARG  37           HN       ARG  37  -0.034   9.241   3.071
  234    HA   ARG  37           HA       ARG  37  -1.913  11.120   2.032
  235    HB2  ARG  37           HB2      ARG  37   1.086  11.315   2.337
  236    HB3  ARG  37           HB1      ARG  37   0.028  12.655   1.922
  237    HG2  ARG  37           HG2      ARG  37  -1.132  12.378   4.078
  238    HG3  ARG  37           HG1      ARG  37  -0.004  11.086   4.494
  239    HD2  ARG  37           HD2      ARG  37   0.660  13.981   3.977
  240    HD3  ARG  37           HD1      ARG  37   0.718  13.144   5.524
  241    HE   ARG  37           HE       ARG  37   2.601  11.882   4.699
  242   HH11  ARG  37          HH11      ARG  37   1.646  14.610   2.730
  243   HH12  ARG  37          HH12      ARG  37   3.205  14.795   1.999
  244   HH21  ARG  37          HH21      ARG  37   4.662  12.107   3.716
  245   HH22  ARG  37          HH22      ARG  37   4.912  13.366   2.547
  246    H    CYS  38           HN       CYS  38   0.577   9.102   0.608
  247    HA   CYS  38           HA       CYS  38   0.570  10.405  -1.931
  248    HB2  CYS  38           HB2      CYS  38   1.514   7.659  -1.097
  249    HB3  CYS  38           HB1      CYS  38   1.707   8.305  -2.719
  250    H    HIS  39           HN       HIS  39  -1.462   8.086  -0.405
  251    HA   HIS  39           HA       HIS  39  -2.661   7.285  -2.954
  252    HB2  HIS  39           HB2      HIS  39  -2.915   6.247  -0.140
  253    HB3  HIS  39           HB1      HIS  39  -4.087   5.814  -1.374
  254    HD1  HIS  39           HD1      HIS  39  -3.521   3.390  -1.626
  255    HD2  HIS  39           HD2      HIS  39  -0.196   5.857  -2.009
  256    HE1  HIS  39           HE1      HIS  39  -1.630   1.874  -2.309
  257    HE2  HIS  39           HE2      HIS  39   0.311   3.423  -2.739
  258    H    PHE  40           HN       PHE  40  -3.633   8.614   0.194
  259    HA   PHE  40           HA       PHE  40  -6.138   9.530  -1.052
  260    HB2  PHE  40           HB2      PHE  40  -5.580   8.861   1.849
  261    HB3  PHE  40           HB1      PHE  40  -7.121   9.413   1.206
  262    HD1  PHE  40           HD2      PHE  40  -8.471   7.946  -0.210
  263    HD2  PHE  40           HD1      PHE  40  -4.852   6.600   1.576
  264    HE1  PHE  40           HE2      PHE  40  -9.125   5.616  -0.653
  265    HE2  PHE  40           HE1      PHE  40  -5.496   4.266   1.135
  266    HZ   PHE  40           HZ       PHE  40  -7.622   3.766   0.022
  267    HA   PRO  41           HA       PRO  41  -4.940  13.752  -0.196
  268    HB2  PRO  41           HB2      PRO  41  -7.848  14.137   0.244
  269    HB3  PRO  41           HB1      PRO  41  -6.757  14.978  -0.864
  270    HG2  PRO  41           HG2      PRO  41  -8.521  13.205  -1.773
  271    HG3  PRO  41           HG1      PRO  41  -6.895  13.317  -2.469
  272    HD2  PRO  41           HD2      PRO  41  -7.994  11.318  -0.537
  273    HD3  PRO  41           HD1      PRO  41  -6.907  11.072  -1.919
  274    H    ALA  42           HN       ALA  42  -4.961  15.226   1.539
  275    HA   ALA  42           HA       ALA  42  -4.607  13.950   4.016
  276    HB1  ALA  42           HB1      ALA  42  -4.793  16.905   3.458
  277    HB2  ALA  42           HB2      ALA  42  -3.339  15.919   3.312
  278    HB3  ALA  42           HB3      ALA  42  -4.089  16.154   4.891
  279    H    GLY  43           HN       GLY  43  -7.444  15.222   2.624
  280    HA2  GLY  43           HA2      GLY  43  -8.777  15.729   5.150
  281    HA3  GLY  43           HA1      GLY  43  -9.495  15.830   3.550
  282    H    THR  44           HN       THR  44  -7.883  12.957   3.693
  283    HA   THR  44           HA       THR  44 -10.335  11.472   4.251
  284    HB   THR  44           HB       THR  44  -7.691  10.298   3.387
  285    HG1  THR  44           HG1      THR  44  -8.097  11.782   1.807
  286   HG21  THR  44          HG21      THR  44  -9.447   8.738   4.129
  287   HG22  THR  44          HG22      THR  44  -9.103   8.560   2.409
  288   HG23  THR  44          HG23      THR  44 -10.549   9.421   2.934
  289    H    SER  45           HN       SER  45 -10.572  10.108   5.997
  290    HA   SER  45           HA       SER  45  -8.681  10.565   8.156
  291    HB2  SER  45           HB2      SER  45 -11.362   9.160   8.176
  292    HB3  SER  45           HB1      SER  45 -10.426   9.633   9.594
  293    HG   SER  45           HG       SER  45 -10.602  11.831   8.343
  294    H    ARG  46           HN       ARG  46  -7.304   9.119   8.944
  295    HA   ARG  46           HA       ARG  46  -6.952   6.630   7.533
  296    HB2  ARG  46           HB2      ARG  46  -5.073   8.148   8.263
  297    HB3  ARG  46           HB1      ARG  46  -5.405   7.656   9.917
  298    HG2  ARG  46           HG2      ARG  46  -4.936   5.321   9.290
  299    HG3  ARG  46           HG1      ARG  46  -4.533   5.864   7.660
  300    HD2  ARG  46           HD2      ARG  46  -3.130   6.594  10.224
  301    HD3  ARG  46           HD1      ARG  46  -2.503   5.591   8.919
  302    HE   ARG  46           HE       ARG  46  -3.205   8.196   7.999
  303   HH11  ARG  46          HH11      ARG  46  -0.723   6.412   9.706
  304   HH12  ARG  46          HH12      ARG  46   0.534   7.539   9.317
  305   HH21  ARG  46          HH21      ARG  46  -1.567   9.694   7.500
  306   HH22  ARG  46          HH22      ARG  46   0.053   9.416   8.060
  307    HA   PRO  47           HA       PRO  47  -9.530   4.477  10.472
  308    HB2  PRO  47           HB2      PRO  47  -9.326   2.030   9.332
  309    HB3  PRO  47           HB1      PRO  47 -10.339   3.314   8.661
  310    HG2  PRO  47           HG2      PRO  47  -7.594   2.445   7.842
  311    HG3  PRO  47           HG1      PRO  47  -8.987   2.857   6.825
  312    HD2  PRO  47           HD2      PRO  47  -6.954   4.592   7.293
  313    HD3  PRO  47           HD1      PRO  47  -8.627   5.122   7.031
  314    H    GLY  48           HN       GLY  48  -9.206   3.264  12.270
  315    HA2  GLY  48           HA2      GLY  48  -6.466   2.376  12.808
  316    HA3  GLY  48           HA1      GLY  48  -7.739   2.587  14.001
  317    H    THR  49           HN       THR  49  -9.368   1.116  11.722
  318    HA   THR  49           HA       THR  49  -8.997  -1.504  12.928
  319    HB   THR  49           HB       THR  49 -11.114  -1.951  11.445
  320    HG1  THR  49           HG1      THR  49 -12.090  -0.197  10.673
  321   HG21  THR  49          HG21      THR  49 -11.123  -1.914  13.885
  322   HG22  THR  49          HG22      THR  49 -12.539  -1.076  13.251
  323   HG23  THR  49          HG23      THR  49 -11.172  -0.152  13.872
  324    H    GLY  50           HN       GLY  50  -6.881  -0.924  11.325
  325    HA2  GLY  50           HA2      GLY  50  -5.709  -2.475   9.959
  326    HA3  GLY  50           HA1      GLY  50  -7.237  -2.950   9.235
  327    H    LEU  51           HN       LEU  51  -4.435  -1.486   8.578
  328    HA   LEU  51           HA       LEU  51  -5.420   0.648   6.898
  329    HB2  LEU  51           HB2      LEU  51  -2.888  -0.178   7.987
  330    HB3  LEU  51           HB1      LEU  51  -2.740   0.056   6.257
  331    HG   LEU  51           HG       LEU  51  -2.170   2.066   7.640
  332   HD11  LEU  51          HD11      LEU  51  -3.421   3.646   6.235
  333   HD12  LEU  51          HD12      LEU  51  -4.467   2.327   5.708
  334   HD13  LEU  51          HD13      LEU  51  -2.750   2.306   5.308
  335   HD21  LEU  51          HD21      LEU  51  -5.144   2.192   8.123
  336   HD22  LEU  51          HD22      LEU  51  -3.928   3.355   8.654
  337   HD23  LEU  51          HD23      LEU  51  -3.952   1.730   9.339
  338    H    ARG  52           HN       ARG  52  -5.943   0.490   4.821
  339    HA   ARG  52           HA       ARG  52  -5.443  -2.074   3.468
  340    HB2  ARG  52           HB2      ARG  52  -7.580   0.002   2.958
  341    HB3  ARG  52           HB1      ARG  52  -7.358  -1.462   2.014
  342    HG2  ARG  52           HG2      ARG  52  -7.786  -2.776   4.086
  343    HG3  ARG  52           HG1      ARG  52  -8.184  -1.258   4.897
  344    HD2  ARG  52           HD2      ARG  52  -9.929  -0.846   3.209
  345    HD3  ARG  52           HD1      ARG  52  -9.554  -2.395   2.463
  346    HE   ARG  52           HE       ARG  52 -10.462  -2.237   5.258
  347   HH11  ARG  52          HH11      ARG  52 -10.821  -3.491   1.989
  348   HH12  ARG  52          HH12      ARG  52 -12.128  -4.551   2.418
  349   HH21  ARG  52          HH21      ARG  52 -12.190  -3.626   5.792
  350   HH22  ARG  52          HH22      ARG  52 -12.903  -4.630   4.567
  351    H    CYS  53           HN       CYS  53  -4.220  -2.104   1.699
  352    HA   CYS  53           HA       CYS  53  -3.082   0.257   0.574
  353    HB2  CYS  53           HB2      CYS  53  -1.990  -1.204  -0.969
  354    HB3  CYS  53           HB1      CYS  53  -2.040  -2.062   0.566
  355    H    ARG  54           HN       ARG  54  -3.258   0.291  -2.061
  356    HA   ARG  54           HA       ARG  54  -5.744   1.456  -2.540
  357    HB2  ARG  54           HB2      ARG  54  -3.702   1.956  -3.835
  358    HB3  ARG  54           HB1      ARG  54  -3.803   0.371  -4.589
  359    HG2  ARG  54           HG2      ARG  54  -5.902   0.970  -5.639
  360    HG3  ARG  54           HG1      ARG  54  -5.882   2.537  -4.830
  361    HD2  ARG  54           HD2      ARG  54  -3.827   3.124  -6.012
  362    HD3  ARG  54           HD1      ARG  54  -3.831   1.553  -6.811
  363    HE   ARG  54           HE       ARG  54  -6.270   2.911  -7.286
  364   HH11  ARG  54          HH11      ARG  54  -2.894   2.974  -8.191
  365   HH12  ARG  54          HH12      ARG  54  -3.190   3.637  -9.765
  366   HH21  ARG  54          HH21      ARG  54  -6.676   3.787  -9.354
  367   HH22  ARG  54          HH22      ARG  54  -5.347   4.093 -10.432
  368    H    SER  55           HN       SER  55  -4.601  -1.799  -3.372
  369    HA   SER  55           HA       SER  55  -6.895  -2.500  -4.878
  370    HB2  SER  55           HB2      SER  55  -4.880  -4.281  -3.498
  371    HB3  SER  55           HB1      SER  55  -6.032  -4.800  -4.728
  372    HG   SER  55           HG       SER  55  -5.016  -3.323  -6.172
  373    H    CYS  56           HN       CYS  56  -5.959  -3.260  -1.516
  374    HA   CYS  56           HA       CYS  56  -8.292  -4.785  -0.996
  375    HB2  CYS  56           HB2      CYS  56  -6.385  -3.467   0.939
  376    HB3  CYS  56           HB1      CYS  56  -7.624  -4.635   1.382
  377    H    SER  57           HN       SER  57  -7.771  -1.396  -1.104
  378    HA   SER  57           HA       SER  57 -10.192  -0.909   0.467
  379    HB2  SER  57           HB2      SER  57  -9.567   1.509   0.208
  380    HB3  SER  57           HB1      SER  57  -8.373   0.541   1.067
  381    HG   SER  57           HG       SER  57  -7.032   0.643  -0.627
  382    H    GLY  58           HN       GLY  58  -9.682  -1.879  -2.506
  383    HA2  GLY  58           HA2      GLY  58 -11.318   0.064  -3.924
  384    HA3  GLY  58           HA1      GLY  58 -10.611  -1.398  -4.599
  385    H    ASP  59           HN       ASP  59 -11.688  -2.982  -2.312
  386    HA   ASP  59           HA       ASP  59 -14.359  -3.346  -3.455
  387    HB2  ASP  59           HB2      ASP  59 -12.639  -5.208  -1.808
  388    HB3  ASP  59           HB1      ASP  59 -14.273  -5.587  -2.342
  389    H    VAL  60           HN       VAL  60 -13.735  -1.277  -1.468
  390    HA   VAL  60           HA       VAL  60 -15.094  -2.202   0.927
  391    HB   VAL  60           HB       VAL  60 -14.696   0.053   1.795
  392   HG11  VAL  60          HG11      VAL  60 -12.239  -0.036   1.857
  393   HG12  VAL  60          HG12      VAL  60 -12.268  -1.221   0.551
  394   HG13  VAL  60          HG13      VAL  60 -12.978  -1.614   2.118
  395   HG21  VAL  60          HG21      VAL  60 -14.909   1.329  -0.262
  396   HG22  VAL  60          HG22      VAL  60 -13.429   0.600  -0.884
  397   HG23  VAL  60          HG23      VAL  60 -13.361   1.669   0.516
  398    H    THR  61           HN       THR  61 -16.973  -0.989   1.749
  399    HA   THR  61           HA       THR  61 -18.685  -0.114  -0.477
  400    HB   THR  61           HB       THR  61 -20.597  -0.676   1.043
  401    HG1  THR  61           HG1      THR  61 -19.267  -0.587   2.997
  402   HG21  THR  61          HG21      THR  61 -20.419  -3.110   0.769
  403   HG22  THR  61          HG22      THR  61 -18.695  -2.945   0.435
  404   HG23  THR  61          HG23      THR  61 -19.877  -2.257  -0.677
  405    HA   PRO  62           HA       PRO  62 -18.437   3.831   1.786
  406    HB2  PRO  62           HB2      PRO  62 -19.381   4.940  -0.746
  407    HB3  PRO  62           HB1      PRO  62 -17.879   5.272   0.118
  408    HG2  PRO  62           HG2      PRO  62 -17.942   3.920  -2.226
  409    HG3  PRO  62           HG1      PRO  62 -16.726   3.611  -0.973
  410    HD2  PRO  62           HD2      PRO  62 -19.218   2.074  -1.617
  411    HD3  PRO  62           HD1      PRO  62 -17.597   1.472  -1.209
  412    H    ALA  63           HN       ALA  63 -20.113   4.708   2.861
  413    HA   ALA  63           HA       ALA  63 -22.764   3.716   2.372
  414    HB1  ALA  63           HB1      ALA  63 -21.956   4.041   4.648
  415    HB2  ALA  63           HB2      ALA  63 -23.386   5.029   4.343
  416    HB3  ALA  63           HB3      ALA  63 -21.787   5.772   4.352
  417    HA   PRO  64           HA       PRO  64 -23.635   7.050  -0.471
  418    HB2  PRO  64           HB2      PRO  64 -26.137   6.258  -1.137
  419    HB3  PRO  64           HB1      PRO  64 -24.686   5.479  -1.773
  420    HG2  PRO  64           HG2      PRO  64 -26.486   4.608   0.450
  421    HG3  PRO  64           HG1      PRO  64 -25.728   3.637  -0.826
  422    HD2  PRO  64           HD2      PRO  64 -24.763   3.783   1.718
  423    HD3  PRO  64           HD1      PRO  64 -23.736   3.485   0.302
  424    H    VAL  65           HN       VAL  65 -24.203   9.032   0.092
  425    HA   VAL  65           HA       VAL  65 -26.117   9.465   2.240
  426    HB   VAL  65           HB       VAL  65 -24.532  11.524   0.690
  427   HG11  VAL  65          HG11      VAL  65 -25.976  11.702   3.332
  428   HG12  VAL  65          HG12      VAL  65 -26.479  12.447   1.815
  429   HG13  VAL  65          HG13      VAL  65 -24.997  12.978   2.608
  430   HG21  VAL  65          HG21      VAL  65 -23.026   9.971   1.811
  431   HG22  VAL  65          HG22      VAL  65 -23.889  10.216   3.330
  432   HG23  VAL  65          HG23      VAL  65 -22.997  11.549   2.598
  433    H    GLU  66           HN       GLU  66 -27.974   8.747   1.111
  434    HA   GLU  66           HA       GLU  66 -28.813  10.262  -1.231
  435    HB2  GLU  66           HB2      GLU  66 -30.226   8.002   0.196
  436    HB3  GLU  66           HB1      GLU  66 -30.647   8.670  -1.373
  437    HG2  GLU  66           HG2      GLU  66 -28.120   7.183  -0.695
  438    HG3  GLU  66           HG1      GLU  66 -29.491   6.553  -1.606
  Start of MODEL   30
    1    H1   GLY   1           HT1      GLY   1  -1.381  -1.548 -21.963
    2    H2   GLY   1           HT2      GLY   1  -1.491  -3.149 -21.433
    3    H3   GLY   1           HT3      GLY   1  -0.168  -2.653 -22.361
    4    HA2  GLY   1           HA1      GLY   1  -0.809  -1.681 -19.639
    5    HA3  GLY   1           HA2      GLY   1   0.420  -2.877 -20.024
    6    H    ALA   2           HN       ALA   2   0.396  -0.017 -18.904
    7    HA   ALA   2           HA       ALA   2   2.421   1.067 -20.744
    8    HB1  ALA   2           HB1      ALA   2   0.431   2.473 -20.667
    9    HB2  ALA   2           HB2      ALA   2   1.817   3.299 -19.956
   10    HB3  ALA   2           HB3      ALA   2   0.578   2.598 -18.915
   11    H    MET   3           HN       MET   3   4.399   0.953 -19.960
   12    HA   MET   3           HA       MET   3   4.845   0.679 -17.091
   13    HB2  MET   3           HB2      MET   3   6.658   0.429 -19.488
   14    HB3  MET   3           HB1      MET   3   7.255   0.366 -17.836
   15    HG2  MET   3           HG2      MET   3   5.206  -1.501 -18.998
   16    HG3  MET   3           HG1      MET   3   6.927  -1.852 -18.844
   17    HE1  MET   3           HE1      MET   3   6.430  -4.074 -17.488
   18    HE2  MET   3           HE2      MET   3   4.709  -3.764 -17.703
   19    HE3  MET   3           HE3      MET   3   5.343  -4.143 -16.102
   20    H    GLU   4           HN       GLU   4   3.958   3.219 -18.271
   21    HA   GLU   4           HA       GLU   4   6.293   4.938 -18.017
   22    HB2  GLU   4           HB2      GLU   4   3.434   5.664 -18.673
   23    HB3  GLU   4           HB1      GLU   4   4.830   6.727 -18.791
   24    HG2  GLU   4           HG2      GLU   4   5.780   5.263 -20.516
   25    HG3  GLU   4           HG1      GLU   4   4.345   4.242 -20.418
   26    H    GLY   5           HN       GLY   5   3.122   4.457 -16.511
   27    HA2  GLY   5           HA2      GLY   5   4.182   5.114 -13.931
   28    HA3  GLY   5           HA1      GLY   5   3.142   6.381 -14.565
   29    H    GLN   6           HN       GLN   6   2.968   2.829 -14.687
   30    HA   GLN   6           HA       GLN   6   0.462   2.945 -13.184
   31    HB2  GLN   6           HB2      GLN   6  -0.171   3.079 -15.560
   32    HB3  GLN   6           HB1      GLN   6   0.712   1.594 -15.878
   33    HG2  GLN   6           HG2      GLN   6  -0.805   0.401 -14.345
   34    HG3  GLN   6           HG1      GLN   6  -1.720   1.893 -14.132
   35   HE21  GLN   6          HE21      GLN   6  -3.596   0.979 -14.978
   36   HE22  GLN   6          HE22      GLN   6  -3.777   0.655 -16.668
   37    H    GLN   7           HN       GLN   7   2.295   0.534 -15.072
   38    HA   GLN   7           HA       GLN   7   1.922  -1.379 -12.909
   39    HB2  GLN   7           HB2      GLN   7   1.465  -1.995 -15.273
   40    HB3  GLN   7           HB1      GLN   7   3.164  -1.752 -15.644
   41    HG2  GLN   7           HG2      GLN   7   2.628  -4.105 -15.393
   42    HG3  GLN   7           HG1      GLN   7   3.769  -3.571 -14.164
   43   HE21  GLN   7          HE21      GLN   7   0.319  -2.932 -14.081
   44   HE22  GLN   7          HE22      GLN   7  -0.022  -3.936 -12.716
   45    H    ASN   8           HN       ASN   8   3.788   0.962 -12.803
   46    HA   ASN   8           HA       ASN   8   6.418  -0.263 -12.711
   47    HB2  ASN   8           HB2      ASN   8   5.564   2.548 -11.983
   48    HB3  ASN   8           HB1      ASN   8   7.222   1.983 -12.160
   49   HD21  ASN   8          HD21      ASN   8   8.059   1.644 -14.196
   50   HD22  ASN   8          HD22      ASN   8   7.274   2.205 -15.634
   51    H    LEU   9           HN       LEU   9   5.817  -1.807 -11.081
   52    HA   LEU   9           HA       LEU   9   5.077  -0.954  -8.451
   53    HB2  LEU   9           HB2      LEU   9   6.162  -3.610  -9.395
   54    HB3  LEU   9           HB1      LEU   9   5.423  -3.303  -7.836
   55    HG   LEU   9           HG       LEU   9   4.021  -3.133 -10.505
   56   HD11  LEU   9          HD11      LEU   9   4.544  -5.423  -9.880
   57   HD12  LEU   9          HD12      LEU   9   2.814  -5.118  -9.722
   58   HD13  LEU   9          HD13      LEU   9   3.836  -5.166  -8.286
   59   HD21  LEU   9          HD21      LEU   9   3.093  -1.543  -8.918
   60   HD22  LEU   9          HD22      LEU   9   2.966  -2.810  -7.697
   61   HD23  LEU   9          HD23      LEU   9   1.981  -2.892  -9.156
   62    H    ALA  10           HN       ALA  10   6.340  -0.880  -6.610
   63    HA   ALA  10           HA       ALA  10   9.109  -0.200  -7.113
   64    HB1  ALA  10           HB1      ALA  10   9.120   0.648  -4.843
   65    HB2  ALA  10           HB2      ALA  10   7.535  -0.065  -4.547
   66    HB3  ALA  10           HB3      ALA  10   7.707   1.249  -5.710
   67    HA   PRO  11           HA       PRO  11  10.549  -4.250  -5.826
   68    HB2  PRO  11           HB2      PRO  11  13.171  -2.911  -5.765
   69    HB3  PRO  11           HB1      PRO  11  12.647  -4.301  -6.717
   70    HG2  PRO  11           HG2      PRO  11  13.077  -1.911  -7.846
   71    HG3  PRO  11           HG1      PRO  11  11.787  -2.990  -8.408
   72    HD2  PRO  11           HD2      PRO  11  11.602  -0.562  -6.660
   73    HD3  PRO  11           HD1      PRO  11  10.533  -1.093  -7.978
   74    H    GLY  12           HN       GLY  12  10.117  -4.724  -3.756
   75    HA2  GLY  12           HA2      GLY  12  10.908  -5.047  -1.551
   76    HA3  GLY  12           HA1      GLY  12  11.859  -3.577  -1.705
   77    H    ALA  13           HN       ALA  13  10.783  -3.430   0.524
   78    HA   ALA  13           HA       ALA  13   8.045  -2.568   0.554
   79    HB1  ALA  13           HB1      ALA  13   9.045  -3.704   2.483
   80    HB2  ALA  13           HB2      ALA  13   8.418  -2.114   2.916
   81    HB3  ALA  13           HB3      ALA  13  10.153  -2.349   2.703
   82    H    ARG  14           HN       ARG  14   8.305  -0.951  -1.107
   83    HA   ARG  14           HA       ARG  14   9.113   1.638   0.017
   84    HB2  ARG  14           HB2      ARG  14  10.907   0.895  -1.488
   85    HB3  ARG  14           HB1      ARG  14   9.735   0.634  -2.771
   86    HG2  ARG  14           HG2      ARG  14   9.208   3.075  -2.681
   87    HG3  ARG  14           HG1      ARG  14  10.558   3.261  -1.558
   88    HD2  ARG  14           HD2      ARG  14  10.697   2.227  -4.388
   89    HD3  ARG  14           HD1      ARG  14  11.272   3.791  -3.812
   90    HE   ARG  14           HE       ARG  14  12.591   1.913  -2.294
   91   HH11  ARG  14          HH11      ARG  14  12.320   2.677  -5.693
   92   HH12  ARG  14          HH12      ARG  14  13.907   2.104  -6.087
   93   HH21  ARG  14          HH21      ARG  14  14.691   1.154  -2.797
   94   HH22  ARG  14          HH22      ARG  14  15.261   1.236  -4.433
   95    H    CYS  15           HN       CYS  15   7.709   3.279  -0.436
   96    HA   CYS  15           HA       CYS  15   5.187   2.632  -1.642
   97    HB2  CYS  15           HB2      CYS  15   5.224   4.127   0.247
   98    HB3  CYS  15           HB1      CYS  15   6.375   5.188  -0.548
   99    H    GLY  16           HN       GLY  16   5.141   2.371  -3.780
  100    HA2  GLY  16           HA2      GLY  16   7.085   3.657  -5.482
  101    HA3  GLY  16           HA1      GLY  16   5.876   2.483  -5.975
  102    H    VAL  17           HN       VAL  17   4.233   4.694  -4.261
  103    HA   VAL  17           HA       VAL  17   3.118   5.914  -6.600
  104    HB   VAL  17           HB       VAL  17   2.604   6.646  -3.718
  105   HG11  VAL  17          HG11      VAL  17   0.937   6.997  -6.208
  106   HG12  VAL  17          HG12      VAL  17   1.763   8.275  -5.315
  107   HG13  VAL  17          HG13      VAL  17   0.424   7.399  -4.569
  108   HG21  VAL  17          HG21      VAL  17   2.271   4.253  -4.033
  109   HG22  VAL  17          HG22      VAL  17   1.219   4.571  -5.413
  110   HG23  VAL  17          HG23      VAL  17   0.730   5.077  -3.797
  111    H    CYS  18           HN       CYS  18   5.449   6.792  -4.166
  112    HA   CYS  18           HA       CYS  18   5.741   9.404  -5.482
  113    HB2  CYS  18           HB2      CYS  18   6.704  10.244  -3.359
  114    HB3  CYS  18           HB1      CYS  18   5.034   9.718  -3.182
  115    H    GLY  19           HN       GLY  19   7.559   6.885  -3.723
  116    HA2  GLY  19           HA2      GLY  19   9.407   5.995  -5.273
  117    HA3  GLY  19           HA1      GLY  19   9.948   7.666  -5.255
  118    H    ASP  20           HN       ASP  20   8.829   7.520  -2.302
  119    HA   ASP  20           HA       ASP  20  11.419   6.637  -1.237
  120    HB2  ASP  20           HB2      ASP  20   9.448   8.705  -0.349
  121    HB3  ASP  20           HB1      ASP  20  10.535   7.981   0.832
  122    H    GLY  21           HN       GLY  21  11.556   5.431   0.669
  123    HA2  GLY  21           HA2      GLY  21   9.123   3.858   1.244
  124    HA3  GLY  21           HA1      GLY  21  10.759   3.221   1.339
  125    H    THR  22           HN       THR  22  10.347   6.408   2.478
  126    HA   THR  22           HA       THR  22  11.057   5.631   5.143
  127    HB   THR  22           HB       THR  22  10.277   8.363   4.102
  128    HG1  THR  22           HG1      THR  22  12.419   6.831   3.565
  129   HG21  THR  22          HG21      THR  22  11.555   9.210   6.002
  130   HG22  THR  22          HG22      THR  22  11.896   7.562   6.526
  131   HG23  THR  22          HG23      THR  22  10.242   8.172   6.556
  132    H    ASP  23           HN       ASP  23   9.638   4.908   6.578
  133    HA   ASP  23           HA       ASP  23   7.751   4.570   7.787
  134    HB2  ASP  23           HB2      ASP  23   8.151   6.900   8.455
  135    HB3  ASP  23           HB1      ASP  23   7.220   7.463   7.075
  136    H    VAL  24           HN       VAL  24   7.305   3.205   5.778
  137    HA   VAL  24           HA       VAL  24   4.995   4.169   4.282
  138    HB   VAL  24           HB       VAL  24   5.219   2.059   2.968
  139   HG11  VAL  24          HG11      VAL  24   7.676   3.798   3.105
  140   HG12  VAL  24          HG12      VAL  24   6.210   4.135   2.184
  141   HG13  VAL  24          HG13      VAL  24   7.226   2.758   1.755
  142   HG21  VAL  24          HG21      VAL  24   7.751   1.712   4.571
  143   HG22  VAL  24          HG22      VAL  24   7.273   0.748   3.175
  144   HG23  VAL  24          HG23      VAL  24   6.323   0.682   4.660
  145    H    LEU  25           HN       LEU  25   3.001   3.469   4.541
  146    HA   LEU  25           HA       LEU  25   2.355   1.798   6.786
  147    HB2  LEU  25           HB2      LEU  25   0.687   3.155   4.665
  148    HB3  LEU  25           HB1      LEU  25  -0.009   2.142   5.920
  149    HG   LEU  25           HG       LEU  25   1.596   4.651   6.418
  150   HD11  LEU  25          HD11      LEU  25  -1.377   4.200   6.611
  151   HD12  LEU  25          HD12      LEU  25  -0.561   5.094   5.327
  152   HD13  LEU  25          HD13      LEU  25  -0.512   5.690   6.987
  153   HD21  LEU  25          HD21      LEU  25   0.727   4.430   8.713
  154   HD22  LEU  25          HD22      LEU  25   1.772   3.086   8.257
  155   HD23  LEU  25          HD23      LEU  25   0.021   2.874   8.277
  156    H    ARG  26           HN       ARG  26   1.306  -0.187   6.694
  157    HA   ARG  26           HA       ARG  26   1.913  -1.705   4.244
  158    HB2  ARG  26           HB2      ARG  26   1.953  -2.554   7.147
  159    HB3  ARG  26           HB1      ARG  26   2.151  -3.659   5.795
  160    HG2  ARG  26           HG2      ARG  26   3.958  -1.301   6.227
  161    HG3  ARG  26           HG1      ARG  26   4.264  -2.885   6.943
  162    HD2  ARG  26           HD2      ARG  26   3.940  -2.345   3.992
  163    HD3  ARG  26           HD1      ARG  26   5.484  -2.538   4.822
  164    HE   ARG  26           HE       ARG  26   3.963  -4.783   5.409
  165   HH11  ARG  26          HH11      ARG  26   5.355  -3.294   2.566
  166   HH12  ARG  26          HH12      ARG  26   5.585  -4.795   1.730
  167   HH21  ARG  26          HH21      ARG  26   4.258  -6.762   4.315
  168   HH22  ARG  26          HH22      ARG  26   4.968  -6.771   2.732
  169    H    CYS  27           HN       CYS  27   0.362  -3.038   3.409
  170    HA   CYS  27           HA       CYS  27  -2.329  -2.608   4.214
  171    HB2  CYS  27           HB2      CYS  27  -1.486  -3.233   1.861
  172    HB3  CYS  27           HB1      CYS  27  -1.431  -4.901   2.445
  173    H    THR  28           HN       THR  28  -3.446  -3.606   5.756
  174    HA   THR  28           HA       THR  28  -2.157  -5.642   7.310
  175    HB   THR  28           HB       THR  28  -3.454  -3.846   8.369
  176    HG1  THR  28           HG1      THR  28  -3.198  -5.845   9.479
  177   HG21  THR  28          HG21      THR  28  -5.209  -3.643   6.721
  178   HG22  THR  28          HG22      THR  28  -5.901  -3.951   8.315
  179   HG23  THR  28          HG23      THR  28  -5.799  -5.252   7.126
  180    H    HIS  29           HN       HIS  29  -3.948  -5.769   4.532
  181    HA   HIS  29           HA       HIS  29  -5.003  -8.437   5.186
  182    HB2  HIS  29           HB2      HIS  29  -5.941  -6.389   3.192
  183    HB3  HIS  29           HB1      HIS  29  -6.425  -8.076   3.086
  184    HD1  HIS  29           HD1      HIS  29  -8.081  -8.952   4.866
  185    HD2  HIS  29           HD2      HIS  29  -7.107  -4.936   5.283
  186    HE1  HIS  29           HE1      HIS  29  -9.779  -8.006   6.458
  187    HE2  HIS  29           HE2      HIS  29  -9.291  -5.535   6.524
  188    H    CYS  30           HN       CYS  30  -2.773  -6.721   3.186
  189    HA   CYS  30           HA       CYS  30  -1.874  -9.230   2.073
  190    HB2  CYS  30           HB2      CYS  30  -2.175  -8.777  -0.186
  191    HB3  CYS  30           HB1      CYS  30  -3.653  -8.122   0.502
  192    H    ALA  31           HN       ALA  31  -0.019  -8.311   0.287
  193    HA   ALA  31           HA       ALA  31   1.802  -6.925   2.104
  194    HB1  ALA  31           HB1      ALA  31   2.514  -9.128   1.289
  195    HB2  ALA  31           HB2      ALA  31   3.605  -7.848   0.755
  196    HB3  ALA  31           HB3      ALA  31   2.431  -8.533  -0.370
  197    H    ALA  32           HN       ALA  32   2.058  -4.834   1.792
  198    HA   ALA  32           HA       ALA  32   2.665  -3.737  -0.769
  199    HB1  ALA  32           HB1      ALA  32   0.781  -2.206  -0.951
  200    HB2  ALA  32           HB2      ALA  32   0.053  -2.908   0.491
  201    HB3  ALA  32           HB3      ALA  32   0.219  -3.877  -0.971
  202    H    ALA  33           HN       ALA  33   3.666  -1.778  -0.596
  203    HA   ALA  33           HA       ALA  33   3.773  -0.556   2.083
  204    HB1  ALA  33           HB1      ALA  33   6.015  -0.778   0.074
  205    HB2  ALA  33           HB2      ALA  33   5.884  -1.674   1.589
  206    HB3  ALA  33           HB3      ALA  33   6.097   0.077   1.614
  207    H    PHE  34           HN       PHE  34   2.885   1.397   2.063
  208    HA   PHE  34           HA       PHE  34   3.256   3.198  -0.181
  209    HB2  PHE  34           HB2      PHE  34   0.804   3.499  -0.504
  210    HB3  PHE  34           HB1      PHE  34   1.363   1.895  -0.968
  211    HD1  PHE  34           HD2      PHE  34   0.767  -0.060   0.347
  212    HD2  PHE  34           HD1      PHE  34  -0.639   3.815   1.401
  213    HE1  PHE  34           HE2      PHE  34  -0.907  -1.076   1.833
  214    HE2  PHE  34           HE1      PHE  34  -2.315   2.807   2.887
  215    HZ   PHE  34           HZ       PHE  34  -2.453   0.358   3.104
  216    H    HIS  35           HN       HIS  35   2.322   5.349   0.284
  217    HA   HIS  35           HA       HIS  35   2.159   5.829   3.174
  218    HB2  HIS  35           HB2      HIS  35   2.553   7.773   0.890
  219    HB3  HIS  35           HB1      HIS  35   2.399   8.241   2.579
  220    HD2  HIS  35           HD2      HIS  35   4.488   6.191   3.933
  221    HE1  HIS  35           HE1      HIS  35   7.208   7.820   1.131
  222    HE2  HIS  35           HE2      HIS  35   6.971   6.760   3.430
  223    H    TRP  36           HN       TRP  36   0.398   6.859   4.098
  224    HA   TRP  36           HA       TRP  36  -2.130   6.426   3.075
  225    HB2  TRP  36           HB2      TRP  36  -1.788   6.948   5.422
  226    HB3  TRP  36           HB1      TRP  36  -1.229   8.567   5.016
  227    HD1  TRP  36           HD1      TRP  36  -3.014  10.403   5.143
  228    HE1  TRP  36           HE1      TRP  36  -5.587  10.479   5.201
  229    HE3  TRP  36           HE3      TRP  36  -3.977   5.440   4.436
  230    HZ2  TRP  36           HZ2      TRP  36  -7.736   8.665   4.970
  231    HZ3  TRP  36           HZ3      TRP  36  -6.320   4.691   4.367
  232    HH2  TRP  36           HH2      TRP  36  -8.157   6.271   4.626
  233    H    ARG  37           HN       ARG  37  -0.274   9.463   2.998
  234    HA   ARG  37           HA       ARG  37  -2.310  10.914   1.646
  235    HB2  ARG  37           HB2      ARG  37   0.616  11.526   2.058
  236    HB3  ARG  37           HB1      ARG  37  -0.561  12.667   1.420
  237    HG2  ARG  37           HG2      ARG  37  -1.755  12.715   3.467
  238    HG3  ARG  37           HG1      ARG  37  -0.841  11.345   4.103
  239    HD2  ARG  37           HD2      ARG  37   1.203  12.722   4.023
  240    HD3  ARG  37           HD1      ARG  37   0.231  14.092   3.484
  241    HE   ARG  37           HE       ARG  37  -1.016  13.713   5.680
  242   HH11  ARG  37          HH11      ARG  37   2.390  13.034   5.246
  243   HH12  ARG  37          HH12      ARG  37   2.795  13.339   6.903
  244   HH21  ARG  37          HH21      ARG  37  -0.493  14.116   7.869
  245   HH22  ARG  37          HH22      ARG  37   1.147  13.933   8.406
  246    H    CYS  38           HN       CYS  38   0.183   8.837   0.534
  247    HA   CYS  38           HA       CYS  38   0.275   9.903  -2.123
  248    HB2  CYS  38           HB2      CYS  38   1.322   7.343  -0.913
  249    HB3  CYS  38           HB1      CYS  38   1.492   7.731  -2.624
  250    H    HIS  39           HN       HIS  39  -1.781   7.771  -0.399
  251    HA   HIS  39           HA       HIS  39  -3.054   6.886  -2.900
  252    HB2  HIS  39           HB2      HIS  39  -3.153   5.856  -0.079
  253    HB3  HIS  39           HB1      HIS  39  -4.427   5.453  -1.223
  254    HD1  HIS  39           HD1      HIS  39  -3.389   2.986  -0.613
  255    HD2  HIS  39           HD2      HIS  39  -1.136   5.466  -3.066
  256    HE1  HIS  39           HE1      HIS  39  -1.766   1.476  -1.788
  257    HE2  HIS  39           HE2      HIS  39  -0.599   2.963  -3.450
  258    H    PHE  40           HN       PHE  40  -3.843   8.221   0.276
  259    HA   PHE  40           HA       PHE  40  -6.331   9.334  -0.844
  260    HB2  PHE  40           HB2      PHE  40  -5.671   8.669   2.041
  261    HB3  PHE  40           HB1      PHE  40  -7.204   9.297   1.452
  262    HD1  PHE  40           HD1      PHE  40  -4.941   6.369   1.321
  263    HD2  PHE  40           HD2      PHE  40  -8.872   7.855   0.663
  264    HE1  PHE  40           HE1      PHE  40  -5.755   4.068   1.020
  265    HE2  PHE  40           HE2      PHE  40  -9.692   5.556   0.360
  266    HZ   PHE  40           HZ       PHE  40  -8.134   3.659   0.538
  267    HA   PRO  41           HA       PRO  41  -4.316  13.316  -0.406
  268    HB2  PRO  41           HB2      PRO  41  -7.169  14.162  -0.179
  269    HB3  PRO  41           HB1      PRO  41  -5.884  14.806  -1.209
  270    HG2  PRO  41           HG2      PRO  41  -7.773  13.248  -2.235
  271    HG3  PRO  41           HG1      PRO  41  -6.085  13.087  -2.758
  272    HD2  PRO  41           HD2      PRO  41  -7.675  11.357  -0.921
  273    HD3  PRO  41           HD1      PRO  41  -6.441  10.904  -2.114
  274    H    ALA  42           HN       ALA  42  -3.970  14.792   1.213
  275    HA   ALA  42           HA       ALA  42  -3.995  13.759   3.794
  276    HB1  ALA  42           HB1      ALA  42  -3.585  16.627   2.976
  277    HB2  ALA  42           HB2      ALA  42  -2.349  15.370   2.989
  278    HB3  ALA  42           HB3      ALA  42  -3.087  15.897   4.500
  279    H    GLY  43           HN       GLY  43  -6.454  15.568   2.200
  280    HA2  GLY  43           HA2      GLY  43  -7.759  16.553   4.550
  281    HA3  GLY  43           HA1      GLY  43  -8.459  16.430   2.943
  282    H    THR  44           HN       THR  44  -7.304  13.452   3.517
  283    HA   THR  44           HA       THR  44  -9.887  12.469   4.497
  284    HB   THR  44           HB       THR  44  -7.647  10.790   3.364
  285    HG1  THR  44           HG1      THR  44  -8.087  12.256   1.754
  286   HG21  THR  44          HG21      THR  44  -9.493   9.626   4.518
  287   HG22  THR  44          HG22      THR  44  -9.451   9.253   2.796
  288   HG23  THR  44          HG23      THR  44 -10.643  10.390   3.424
  289    H    SER  45           HN       SER  45 -10.035  11.139   6.314
  290    HA   SER  45           HA       SER  45  -7.855  11.477   8.200
  291    HB2  SER  45           HB2      SER  45 -10.621  10.308   8.589
  292    HB3  SER  45           HB1      SER  45  -9.473  10.691   9.870
  293    HG   SER  45           HG       SER  45  -9.628  12.890   8.567
  294    H    ARG  46           HN       ARG  46  -6.409   9.991   8.636
  295    HA   ARG  46           HA       ARG  46  -6.590   7.351   7.507
  296    HB2  ARG  46           HB2      ARG  46  -4.444   8.520   7.537
  297    HB3  ARG  46           HB1      ARG  46  -4.501   8.625   9.292
  298    HG2  ARG  46           HG2      ARG  46  -4.350   6.211   9.466
  299    HG3  ARG  46           HG1      ARG  46  -4.366   6.067   7.710
  300    HD2  ARG  46           HD2      ARG  46  -2.109   5.855   8.470
  301    HD3  ARG  46           HD1      ARG  46  -2.275   7.394   7.632
  302    HE   ARG  46           HE       ARG  46  -2.230   8.495   9.777
  303   HH11  ARG  46          HH11      ARG  46  -1.465   5.075   9.886
  304   HH12  ARG  46          HH12      ARG  46  -0.451   5.218  11.285
  305   HH21  ARG  46          HH21      ARG  46  -0.880   8.679  11.627
  306   HH22  ARG  46          HH22      ARG  46  -0.122   7.252  12.275
  307    HA   PRO  47           HA       PRO  47  -8.433   5.506  11.150
  308    HB2  PRO  47           HB2      PRO  47  -8.002   2.913  10.412
  309    HB3  PRO  47           HB1      PRO  47  -9.327   3.893   9.777
  310    HG2  PRO  47           HG2      PRO  47  -6.674   3.263   8.543
  311    HG3  PRO  47           HG1      PRO  47  -8.279   3.311   7.788
  312    HD2  PRO  47           HD2      PRO  47  -6.507   5.332   7.538
  313    HD3  PRO  47           HD1      PRO  47  -8.259   5.610   7.598
  314    H    GLY  48           HN       GLY  48  -7.703   4.353  12.986
  315    HA2  GLY  48           HA2      GLY  48  -4.835   4.606  13.377
  316    HA3  GLY  48           HA1      GLY  48  -6.038   4.288  14.617
  317    H    THR  49           HN       THR  49  -6.948   2.143  12.486
  318    HA   THR  49           HA       THR  49  -5.301   0.033  13.637
  319    HB   THR  49           HB       THR  49  -7.017  -1.464  12.473
  320    HG1  THR  49           HG1      THR  49  -8.712   0.775  12.429
  321   HG21  THR  49          HG21      THR  49  -7.079  -1.012  14.870
  322   HG22  THR  49          HG22      THR  49  -8.711  -1.070  14.209
  323   HG23  THR  49          HG23      THR  49  -7.964   0.484  14.578
  324    H    GLY  50           HN       GLY  50  -5.674  -1.877  11.546
  325    HA2  GLY  50           HA2      GLY  50  -3.376  -1.376  10.010
  326    HA3  GLY  50           HA1      GLY  50  -4.535  -2.665   9.727
  327    H    LEU  51           HN       LEU  51  -3.050  -0.823   7.906
  328    HA   LEU  51           HA       LEU  51  -5.174   0.757   6.700
  329    HB2  LEU  51           HB2      LEU  51  -2.450   1.105   6.949
  330    HB3  LEU  51           HB1      LEU  51  -2.616   0.585   5.286
  331    HG   LEU  51           HG       LEU  51  -2.593   3.003   5.407
  332   HD11  LEU  51          HD11      LEU  51  -4.035   1.884   3.721
  333   HD12  LEU  51          HD12      LEU  51  -4.556   3.510   4.154
  334   HD13  LEU  51          HD13      LEU  51  -5.402   2.111   4.811
  335   HD21  LEU  51          HD21      LEU  51  -4.365   4.238   6.559
  336   HD22  LEU  51          HD22      LEU  51  -3.392   3.286   7.679
  337   HD23  LEU  51          HD23      LEU  51  -4.994   2.724   7.207
  338    H    ARG  52           HN       ARG  52  -6.061   0.362   4.704
  339    HA   ARG  52           HA       ARG  52  -5.412  -2.214   3.448
  340    HB2  ARG  52           HB2      ARG  52  -7.848  -0.438   3.200
  341    HB3  ARG  52           HB1      ARG  52  -7.600  -1.916   2.282
  342    HG2  ARG  52           HG2      ARG  52  -7.709  -3.250   4.245
  343    HG3  ARG  52           HG1      ARG  52  -7.677  -1.823   5.286
  344    HD2  ARG  52           HD2      ARG  52  -9.867  -2.556   3.344
  345    HD3  ARG  52           HD1      ARG  52  -9.938  -2.732   5.097
  346    HE   ARG  52           HE       ARG  52  -9.380  -0.110   4.772
  347   HH11  ARG  52          HH11      ARG  52 -11.835  -2.204   3.422
  348   HH12  ARG  52          HH12      ARG  52 -13.009  -0.938   3.265
  349   HH21  ARG  52          HH21      ARG  52 -10.925   1.561   4.578
  350   HH22  ARG  52          HH22      ARG  52 -12.486   1.209   3.909
  351    H    CYS  53           HN       CYS  53  -4.485  -2.246   1.474
  352    HA   CYS  53           HA       CYS  53  -3.721   0.182   0.186
  353    HB2  CYS  53           HB2      CYS  53  -2.631  -1.181  -1.428
  354    HB3  CYS  53           HB1      CYS  53  -2.470  -2.046   0.095
  355    H    ARG  54           HN       ARG  54  -4.312   0.487  -2.269
  356    HA   ARG  54           HA       ARG  54  -7.007   1.196  -2.231
  357    HB2  ARG  54           HB2      ARG  54  -6.777   1.754  -4.599
  358    HB3  ARG  54           HB1      ARG  54  -5.406   2.331  -3.667
  359    HG2  ARG  54           HG2      ARG  54  -4.074   0.441  -4.462
  360    HG3  ARG  54           HG1      ARG  54  -5.452  -0.128  -5.406
  361    HD2  ARG  54           HD2      ARG  54  -5.438   1.947  -6.689
  362    HD3  ARG  54           HD1      ARG  54  -4.080   2.538  -5.734
  363    HE   ARG  54           HE       ARG  54  -3.336   0.093  -6.845
  364   HH11  ARG  54          HH11      ARG  54  -4.181   3.314  -7.937
  365   HH12  ARG  54          HH12      ARG  54  -3.158   3.237  -9.339
  366   HH21  ARG  54          HH21      ARG  54  -2.001  -0.005  -8.693
  367   HH22  ARG  54          HH22      ARG  54  -1.927   1.355  -9.767
  368    H    SER  55           HN       SER  55  -5.473  -1.690  -3.520
  369    HA   SER  55           HA       SER  55  -7.696  -2.686  -4.935
  370    HB2  SER  55           HB2      SER  55  -5.494  -4.293  -3.631
  371    HB3  SER  55           HB1      SER  55  -6.476  -4.760  -5.019
  372    HG   SER  55           HG       SER  55  -5.067  -3.789  -6.218
  373    H    CYS  56           HN       CYS  56  -6.498  -3.436  -1.650
  374    HA   CYS  56           HA       CYS  56  -8.700  -5.150  -1.042
  375    HB2  CYS  56           HB2      CYS  56  -6.720  -3.817   0.814
  376    HB3  CYS  56           HB1      CYS  56  -7.835  -5.096   1.271
  377    H    SER  57           HN       SER  57  -8.285  -1.764  -1.042
  378    HA   SER  57           HA       SER  57 -10.242  -1.168   0.977
  379    HB2  SER  57           HB2      SER  57  -8.406   0.390   0.519
  380    HB3  SER  57           HB1      SER  57  -8.962   0.585  -1.141
  381    HG   SER  57           HG       SER  57 -10.141   2.140  -0.398
  382    H    GLY  58           HN       GLY  58 -10.387  -2.146  -2.263
  383    HA2  GLY  58           HA2      GLY  58 -13.248  -1.645  -2.308
  384    HA3  GLY  58           HA1      GLY  58 -12.315  -0.849  -3.567
  385    H    ASP  59           HN       ASP  59 -13.720  -3.775  -2.497
  386    HA   ASP  59           HA       ASP  59 -12.340  -5.373  -4.490
  387    HB2  ASP  59           HB2      ASP  59 -14.297  -5.997  -2.308
  388    HB3  ASP  59           HB1      ASP  59 -14.015  -7.157  -3.601
  389    H    VAL  60           HN       VAL  60 -12.981  -5.277  -6.501
  390    HA   VAL  60           HA       VAL  60 -15.765  -4.737  -7.162
  391    HB   VAL  60           HB       VAL  60 -13.531  -5.308  -9.113
  392   HG11  VAL  60          HG11      VAL  60 -14.898  -3.976 -10.647
  393   HG12  VAL  60          HG12      VAL  60 -16.107  -3.758  -9.382
  394   HG13  VAL  60          HG13      VAL  60 -15.787  -5.368 -10.029
  395   HG21  VAL  60          HG21      VAL  60 -14.298  -2.633  -7.947
  396   HG22  VAL  60          HG22      VAL  60 -13.160  -2.891  -9.268
  397   HG23  VAL  60          HG23      VAL  60 -12.792  -3.500  -7.655
  398    H    THR  61           HN       THR  61 -16.081  -6.855  -5.914
  399    HA   THR  61           HA       THR  61 -15.478  -9.266  -7.408
  400    HB   THR  61           HB       THR  61 -17.042  -8.980  -4.835
  401    HG1  THR  61           HG1      THR  61 -15.107  -9.230  -3.779
  402   HG21  THR  61          HG21      THR  61 -16.415 -11.331  -4.494
  403   HG22  THR  61          HG22      THR  61 -15.611 -11.342  -6.065
  404   HG23  THR  61          HG23      THR  61 -17.360 -11.125  -5.972
  405    HA   PRO  62           HA       PRO  62 -19.481  -8.882  -9.416
  406    HB2  PRO  62           HB2      PRO  62 -19.090 -10.817 -11.238
  407    HB3  PRO  62           HB1      PRO  62 -18.286  -9.248 -11.365
  408    HG2  PRO  62           HG2      PRO  62 -17.211 -11.849 -10.353
  409    HG3  PRO  62           HG1      PRO  62 -16.438 -10.653 -11.409
  410    HD2  PRO  62           HD2      PRO  62 -15.957 -10.842  -8.723
  411    HD3  PRO  62           HD1      PRO  62 -15.794  -9.338  -9.649
  412    H    ALA  63           HN       ALA  63 -21.366 -10.188  -9.607
  413    HA   ALA  63           HA       ALA  63 -21.618 -12.198  -7.573
  414    HB1  ALA  63           HB1      ALA  63 -23.441 -10.630  -8.029
  415    HB2  ALA  63           HB2      ALA  63 -23.962 -12.299  -8.260
  416    HB3  ALA  63           HB3      ALA  63 -23.603 -11.287  -9.658
  417    HA   PRO  64           HA       PRO  64 -20.421 -15.476 -10.364
  418    HB2  PRO  64           HB2      PRO  64 -20.659 -17.509  -8.592
  419    HB3  PRO  64           HB1      PRO  64 -19.303 -16.379  -8.566
  420    HG2  PRO  64           HG2      PRO  64 -21.761 -16.428  -6.864
  421    HG3  PRO  64           HG1      PRO  64 -20.082 -16.098  -6.401
  422    HD2  PRO  64           HD2      PRO  64 -21.942 -14.143  -6.804
  423    HD3  PRO  64           HD1      PRO  64 -20.203 -13.905  -7.062
  424    H    VAL  65           HN       VAL  65 -22.500 -14.962 -11.486
  425    HA   VAL  65           HA       VAL  65 -24.614 -16.923 -10.882
  426    HB   VAL  65           HB       VAL  65 -26.106 -15.522 -12.253
  427   HG11  VAL  65          HG11      VAL  65 -26.019 -15.130  -9.861
  428   HG12  VAL  65          HG12      VAL  65 -26.256 -13.607 -10.718
  429   HG13  VAL  65          HG13      VAL  65 -24.668 -14.016 -10.071
  430   HG21  VAL  65          HG21      VAL  65 -24.467 -14.567 -13.779
  431   HG22  VAL  65          HG22      VAL  65 -23.738 -13.660 -12.453
  432   HG23  VAL  65          HG23      VAL  65 -25.380 -13.287 -12.978
  433    H    GLU  66           HN       GLU  66 -21.988 -17.056 -12.532
  434    HA   GLU  66           HA       GLU  66 -23.221 -18.145 -14.972
  435    HB2  GLU  66           HB2      GLU  66 -20.539 -16.770 -14.725
  436    HB3  GLU  66           HB1      GLU  66 -21.188 -17.486 -16.193
  437    HG2  GLU  66           HG2      GLU  66 -22.977 -15.876 -16.244
  438    HG3  GLU  66           HG1      GLU  66 -22.460 -15.208 -14.697
  Start of MODEL   31
    1    H1   GLY   1           HT1      GLY   1  20.982   1.817 -24.472
    2    H2   GLY   1           HT2      GLY   1  19.539   1.509 -23.650
    3    H3   GLY   1           HT3      GLY   1  20.128   0.390 -24.768
    4    HA2  GLY   1           HA1      GLY   1  22.045  -0.044 -23.385
    5    HA3  GLY   1           HA2      GLY   1  21.448   1.131 -22.222
    6    H    ALA   2           HN       ALA   2  21.130  -0.210 -20.518
    7    HA   ALA   2           HA       ALA   2  18.968  -2.171 -20.827
    8    HB1  ALA   2           HB1      ALA   2  21.491  -2.620 -19.234
    9    HB2  ALA   2           HB2      ALA   2  21.083  -3.401 -20.761
   10    HB3  ALA   2           HB3      ALA   2  20.113  -3.716 -19.322
   11    H    MET   3           HN       MET   3  17.353  -1.685 -19.520
   12    HA   MET   3           HA       MET   3  17.492   0.358 -17.584
   13    HB2  MET   3           HB2      MET   3  15.408  -1.761 -18.101
   14    HB3  MET   3           HB1      MET   3  15.205  -0.480 -16.918
   15    HG2  MET   3           HG2      MET   3  15.401   1.191 -18.677
   16    HG3  MET   3           HG1      MET   3  15.632  -0.085 -19.870
   17    HE1  MET   3           HE1      MET   3  13.440   2.212 -20.130
   18    HE2  MET   3           HE2      MET   3  12.054   1.281 -20.700
   19    HE3  MET   3           HE3      MET   3  13.667   0.940 -21.330
   20    H    GLU   4           HN       GLU   4  18.296   0.301 -15.638
   21    HA   GLU   4           HA       GLU   4  18.566  -2.289 -14.276
   22    HB2  GLU   4           HB2      GLU   4  20.375  -1.028 -12.960
   23    HB3  GLU   4           HB1      GLU   4  20.738  -1.480 -14.619
   24    HG2  GLU   4           HG2      GLU   4  20.236   0.783 -15.360
   25    HG3  GLU   4           HG1      GLU   4  19.822   1.240 -13.707
   26    H    GLY   5           HN       GLY   5  16.824  -2.467 -13.008
   27    HA2  GLY   5           HA2      GLY   5  15.364  -2.053 -11.284
   28    HA3  GLY   5           HA1      GLY   5  16.534  -0.883 -10.690
   29    H    GLN   6           HN       GLN   6  14.887  -0.848 -13.796
   30    HA   GLN   6           HA       GLN   6  13.550   1.651 -12.978
   31    HB2  GLN   6           HB2      GLN   6  14.725   0.939 -15.671
   32    HB3  GLN   6           HB1      GLN   6  13.807   2.398 -15.330
   33    HG2  GLN   6           HG2      GLN   6  15.498   3.157 -13.792
   34    HG3  GLN   6           HG1      GLN   6  16.391   1.649 -13.984
   35   HE21  GLN   6          HE21      GLN   6  15.444   4.632 -15.508
   36   HE22  GLN   6          HE22      GLN   6  16.626   4.594 -16.767
   37    H    GLN   7           HN       GLN   7  13.246  -1.476 -14.253
   38    HA   GLN   7           HA       GLN   7  10.406  -0.990 -14.813
   39    HB2  GLN   7           HB2      GLN   7  11.559  -1.171 -16.966
   40    HB3  GLN   7           HB1      GLN   7  12.292  -2.685 -16.464
   41    HG2  GLN   7           HG2      GLN   7  10.456  -3.109 -17.959
   42    HG3  GLN   7           HG1      GLN   7  10.073  -3.715 -16.348
   43   HE21  GLN   7          HE21      GLN   7   7.887  -3.655 -16.618
   44   HE22  GLN   7          HE22      GLN   7   6.984  -2.183 -16.761
   45    H    ASN   8           HN       ASN   8   9.032  -2.544 -14.064
   46    HA   ASN   8           HA       ASN   8   8.257  -4.286 -12.849
   47    HB2  ASN   8           HB2      ASN   8  10.789  -5.511 -13.921
   48    HB3  ASN   8           HB1      ASN   8   9.740  -6.399 -12.825
   49   HD21  ASN   8          HD21      ASN   8   9.288  -7.933 -14.392
   50   HD22  ASN   8          HD22      ASN   8   8.242  -7.610 -15.729
   51    H    LEU   9           HN       LEU   9   8.865  -2.487 -11.246
   52    HA   LEU   9           HA       LEU   9  11.077  -2.971  -9.499
   53    HB2  LEU   9           HB2      LEU   9   8.680  -1.156  -9.286
   54    HB3  LEU   9           HB1      LEU   9   9.922  -1.240  -8.055
   55    HG   LEU   9           HG       LEU   9  10.427   0.664  -9.346
   56   HD11  LEU   9          HD11      LEU   9  12.581   0.176 -10.314
   57   HD12  LEU   9          HD12      LEU   9  12.179  -1.536 -10.416
   58   HD13  LEU   9          HD13      LEU   9  12.357  -0.765  -8.840
   59   HD21  LEU   9          HD21      LEU   9  10.607   0.682 -11.771
   60   HD22  LEU   9          HD22      LEU   9   8.993   0.183 -11.264
   61   HD23  LEU   9          HD23      LEU   9  10.152  -1.020 -11.830
   62    H    ALA  10           HN       ALA  10  11.093  -3.816  -7.454
   63    HA   ALA  10           HA       ALA  10   9.193  -5.878  -6.937
   64    HB1  ALA  10           HB1      ALA  10  10.534  -6.347  -4.963
   65    HB2  ALA  10           HB2      ALA  10  11.404  -4.827  -5.175
   66    HB3  ALA  10           HB3      ALA  10  11.568  -6.112  -6.372
   67    HA   PRO  11           HA       PRO  11   6.354  -3.367  -4.569
   68    HB2  PRO  11           HB2      PRO  11   4.756  -5.379  -3.714
   69    HB3  PRO  11           HB1      PRO  11   4.711  -4.767  -5.371
   70    HG2  PRO  11           HG2      PRO  11   6.069  -7.203  -4.288
   71    HG3  PRO  11           HG1      PRO  11   5.139  -7.011  -5.786
   72    HD2  PRO  11           HD2      PRO  11   7.855  -7.001  -5.718
   73    HD3  PRO  11           HD1      PRO  11   6.914  -6.095  -6.918
   74    H    GLY  12           HN       GLY  12   8.567  -3.355  -3.205
   75    HA2  GLY  12           HA2      GLY  12   8.144  -4.787  -0.676
   76    HA3  GLY  12           HA1      GLY  12   9.649  -4.041  -1.192
   77    H    ALA  13           HN       ALA  13   9.942  -2.827   0.632
   78    HA   ALA  13           HA       ALA  13   7.861  -1.086   1.606
   79    HB1  ALA  13           HB1      ALA  13   9.494  -0.393   3.272
   80    HB2  ALA  13           HB2      ALA  13  10.757  -1.278   2.418
   81    HB3  ALA  13           HB3      ALA  13   9.418  -2.152   3.162
   82    H    ARG  14           HN       ARG  14   7.610   0.025  -0.475
   83    HA   ARG  14           HA       ARG  14   9.122   2.472  -0.486
   84    HB2  ARG  14           HB2      ARG  14  10.530   0.921  -1.827
   85    HB3  ARG  14           HB1      ARG  14   9.184   0.712  -2.938
   86    HG2  ARG  14           HG2      ARG  14   9.296   2.982  -3.628
   87    HG3  ARG  14           HG1      ARG  14  10.442   3.375  -2.343
   88    HD2  ARG  14           HD2      ARG  14  10.929   1.548  -4.688
   89    HD3  ARG  14           HD1      ARG  14  11.598   3.162  -4.462
   90    HE   ARG  14           HE       ARG  14  12.288   0.783  -2.863
   91   HH11  ARG  14          HH11      ARG  14  13.021   4.026  -3.972
   92   HH12  ARG  14          HH12      ARG  14  14.639   4.001  -3.353
   93   HH21  ARG  14          HH21      ARG  14  14.414   0.768  -2.030
   94   HH22  ARG  14          HH22      ARG  14  15.423   2.164  -2.237
   95    H    CYS  15           HN       CYS  15   7.826   4.105  -1.032
   96    HA   CYS  15           HA       CYS  15   5.136   3.585  -1.913
   97    HB2  CYS  15           HB2      CYS  15   5.463   5.346  -0.313
   98    HB3  CYS  15           HB1      CYS  15   6.673   6.121  -1.325
   99    H    GLY  16           HN       GLY  16   4.659   3.234  -3.986
  100    HA2  GLY  16           HA2      GLY  16   6.486   3.691  -6.099
  101    HA3  GLY  16           HA1      GLY  16   4.802   3.224  -6.276
  102    H    VAL  17           HN       VAL  17   4.214   5.764  -4.608
  103    HA   VAL  17           HA       VAL  17   3.861   7.490  -6.893
  104    HB   VAL  17           HB       VAL  17   3.179   7.961  -3.983
  105   HG11  VAL  17          HG11      VAL  17   3.365  10.048  -5.223
  106   HG12  VAL  17          HG12      VAL  17   1.682   9.709  -4.818
  107   HG13  VAL  17          HG13      VAL  17   2.269   9.426  -6.458
  108   HG21  VAL  17          HG21      VAL  17   2.004   6.035  -4.914
  109   HG22  VAL  17          HG22      VAL  17   1.440   7.019  -6.263
  110   HG23  VAL  17          HG23      VAL  17   0.895   7.374  -4.623
  111    H    CYS  18           HN       CYS  18   5.976   7.292  -4.116
  112    HA   CYS  18           HA       CYS  18   7.064   9.953  -4.708
  113    HB2  CYS  18           HB2      CYS  18   7.331   8.186  -2.278
  114    HB3  CYS  18           HB1      CYS  18   8.222   9.687  -2.494
  115    H    GLY  19           HN       GLY  19   8.010   6.569  -4.395
  116    HA2  GLY  19           HA2      GLY  19   9.861   5.637  -5.572
  117    HA3  GLY  19           HA1      GLY  19  10.596   7.235  -5.625
  118    H    ASP  20           HN       ASP  20   9.748   7.531  -2.724
  119    HA   ASP  20           HA       ASP  20  12.104   6.268  -1.566
  120    HB2  ASP  20           HB2      ASP  20  10.219   8.389  -0.518
  121    HB3  ASP  20           HB1      ASP  20  11.521   7.694   0.441
  122    H    GLY  21           HN       GLY  21  12.007   5.019   0.353
  123    HA2  GLY  21           HA2      GLY  21   9.351   3.808   0.818
  124    HA3  GLY  21           HA1      GLY  21  10.865   2.920   0.937
  125    H    THR  22           HN       THR  22  10.763   6.133   2.131
  126    HA   THR  22           HA       THR  22  11.316   5.223   4.800
  127    HB   THR  22           HB       THR  22  10.887   8.079   3.950
  128    HG1  THR  22           HG1      THR  22  13.013   8.113   3.264
  129   HG21  THR  22          HG21      THR  22  12.533   8.526   5.716
  130   HG22  THR  22          HG22      THR  22  12.635   6.797   6.054
  131   HG23  THR  22          HG23      THR  22  11.129   7.665   6.347
  132    H    ASP  23           HN       ASP  23   9.893   4.965   6.383
  133    HA   ASP  23           HA       ASP  23   7.994   4.991   7.618
  134    HB2  ASP  23           HB2      ASP  23   8.697   7.374   7.837
  135    HB3  ASP  23           HB1      ASP  23   7.628   7.765   6.499
  136    H    VAL  24           HN       VAL  24   7.341   3.386   5.940
  137    HA   VAL  24           HA       VAL  24   5.107   4.341   4.284
  138    HB   VAL  24           HB       VAL  24   5.410   2.140   3.062
  139   HG11  VAL  24          HG11      VAL  24   7.705   4.096   2.988
  140   HG12  VAL  24          HG12      VAL  24   6.167   4.275   2.142
  141   HG13  VAL  24          HG13      VAL  24   7.265   2.963   1.710
  142   HG21  VAL  24          HG21      VAL  24   7.628   1.080   3.249
  143   HG22  VAL  24          HG22      VAL  24   6.699   0.955   4.742
  144   HG23  VAL  24          HG23      VAL  24   8.000   2.137   4.611
  145    H    LEU  25           HN       LEU  25   3.152   3.290   4.302
  146    HA   LEU  25           HA       LEU  25   2.645   1.661   6.676
  147    HB2  LEU  25           HB2      LEU  25   0.834   3.212   4.832
  148    HB3  LEU  25           HB1      LEU  25   0.230   2.148   6.092
  149    HG   LEU  25           HG       LEU  25   2.037   4.504   6.633
  150   HD11  LEU  25          HD11      LEU  25  -0.966   4.315   6.769
  151   HD12  LEU  25          HD12      LEU  25  -0.019   5.323   5.675
  152   HD13  LEU  25          HD13      LEU  25   0.000   5.645   7.408
  153   HD21  LEU  25          HD21      LEU  25   1.267   4.215   8.930
  154   HD22  LEU  25          HD22      LEU  25   2.053   2.752   8.338
  155   HD23  LEU  25          HD23      LEU  25   0.295   2.828   8.436
  156    H    ARG  26           HN       ARG  26   1.675  -0.336   6.569
  157    HA   ARG  26           HA       ARG  26   1.649  -1.595   3.906
  158    HB2  ARG  26           HB2      ARG  26   2.186  -2.728   6.646
  159    HB3  ARG  26           HB1      ARG  26   1.766  -3.757   5.289
  160    HG2  ARG  26           HG2      ARG  26   4.089  -3.838   5.411
  161    HG3  ARG  26           HG1      ARG  26   3.753  -2.719   4.091
  162    HD2  ARG  26           HD2      ARG  26   4.241  -0.834   5.469
  163    HD3  ARG  26           HD1      ARG  26   4.317  -1.842   6.915
  164    HE   ARG  26           HE       ARG  26   6.209  -2.576   4.874
  165   HH11  ARG  26          HH11      ARG  26   5.641  -0.508   7.644
  166   HH12  ARG  26          HH12      ARG  26   7.323  -0.344   8.028
  167   HH21  ARG  26          HH21      ARG  26   8.416  -2.367   5.375
  168   HH22  ARG  26          HH22      ARG  26   8.908  -1.385   6.720
  169    H    CYS  27           HN       CYS  27  -0.061  -3.042   3.400
  170    HA   CYS  27           HA       CYS  27  -2.589  -2.424   4.562
  171    HB2  CYS  27           HB2      CYS  27  -2.286  -3.174   2.175
  172    HB3  CYS  27           HB1      CYS  27  -1.933  -4.805   2.772
  173    H    THR  28           HN       THR  28  -3.815  -3.619   6.022
  174    HA   THR  28           HA       THR  28  -2.321  -5.481   7.663
  175    HB   THR  28           HB       THR  28  -4.466  -5.547   9.009
  176    HG1  THR  28           HG1      THR  28  -6.164  -4.557   8.230
  177   HG21  THR  28          HG21      THR  28  -4.134  -3.313   9.952
  178   HG22  THR  28          HG22      THR  28  -3.220  -2.839   8.521
  179   HG23  THR  28          HG23      THR  28  -2.589  -4.084   9.598
  180    H    HIS  29           HN       HIS  29  -4.126  -5.722   4.904
  181    HA   HIS  29           HA       HIS  29  -4.822  -8.527   5.484
  182    HB2  HIS  29           HB2      HIS  29  -6.171  -6.516   3.689
  183    HB3  HIS  29           HB1      HIS  29  -6.473  -8.244   3.556
  184    HD1  HIS  29           HD1      HIS  29  -8.106  -9.260   5.176
  185    HD2  HIS  29           HD2      HIS  29  -7.063  -5.365   6.179
  186    HE1  HIS  29           HE1      HIS  29  -9.658  -8.603   7.041
  187    HE2  HIS  29           HE2      HIS  29  -9.092  -6.202   7.546
  188    H    CYS  30           HN       CYS  30  -2.768  -6.527   3.787
  189    HA   CYS  30           HA       CYS  30  -1.919  -8.728   2.070
  190    HB2  CYS  30           HB2      CYS  30  -2.152  -5.976   0.878
  191    HB3  CYS  30           HB1      CYS  30  -1.948  -7.517   0.053
  192    H    ALA  31           HN       ALA  31   0.172  -8.062   0.948
  193    HA   ALA  31           HA       ALA  31   1.786  -6.452   2.782
  194    HB1  ALA  31           HB1      ALA  31   3.733  -7.576   1.777
  195    HB2  ALA  31           HB2      ALA  31   2.644  -8.501   0.742
  196    HB3  ALA  31           HB3      ALA  31   2.598  -8.720   2.490
  197    H    ALA  32           HN       ALA  32   1.993  -4.446   2.146
  198    HA   ALA  32           HA       ALA  32   3.076  -3.727  -0.375
  199    HB1  ALA  32           HB1      ALA  32   0.187  -2.978   0.101
  200    HB2  ALA  32           HB2      ALA  32   0.779  -4.085  -1.139
  201    HB3  ALA  32           HB3      ALA  32   1.203  -2.374  -1.207
  202    H    ALA  33           HN       ALA  33   4.145  -1.860  -0.112
  203    HA   ALA  33           HA       ALA  33   3.595  -0.359   2.355
  204    HB1  ALA  33           HB1      ALA  33   6.162  -0.568   0.795
  205    HB2  ALA  33           HB2      ALA  33   5.788  -1.433   2.287
  206    HB3  ALA  33           HB3      ALA  33   5.931   0.326   2.298
  207    H    PHE  34           HN       PHE  34   2.803   1.591   2.146
  208    HA   PHE  34           HA       PHE  34   3.572   3.325  -0.040
  209    HB2  PHE  34           HB2      PHE  34   1.190   3.742  -0.696
  210    HB3  PHE  34           HB1      PHE  34   1.768   2.135  -1.116
  211    HD1  PHE  34           HD1      PHE  34  -0.480   4.058   1.037
  212    HD2  PHE  34           HD2      PHE  34   0.898   0.170  -0.013
  213    HE1  PHE  34           HE1      PHE  34  -2.391   3.062   2.222
  214    HE2  PHE  34           HE2      PHE  34  -1.011  -0.829   1.172
  215    HZ   PHE  34           HZ       PHE  34  -2.659   0.617   2.293
  216    H    HIS  35           HN       HIS  35   2.793   5.522   0.292
  217    HA   HIS  35           HA       HIS  35   2.293   6.126   3.095
  218    HB2  HIS  35           HB2      HIS  35   2.572   8.031   0.753
  219    HB3  HIS  35           HB1      HIS  35   2.552   8.472   2.453
  220    HD2  HIS  35           HD2      HIS  35   4.832   6.201   3.383
  221    HE1  HIS  35           HE1      HIS  35   7.233   8.419   0.687
  222    HE2  HIS  35           HE2      HIS  35   7.239   6.968   2.781
  223    H    TRP  36           HN       TRP  36   0.375   6.759   3.871
  224    HA   TRP  36           HA       TRP  36  -1.969   6.016   2.529
  225    HB2  TRP  36           HB2      TRP  36  -1.650   6.065   5.000
  226    HB3  TRP  36           HB1      TRP  36  -1.707   7.820   4.942
  227    HD1  TRP  36           HD1      TRP  36  -4.027   8.893   5.184
  228    HE1  TRP  36           HE1      TRP  36  -6.441   8.017   5.243
  229    HE3  TRP  36           HE3      TRP  36  -3.161   4.036   3.860
  230    HZ2  TRP  36           HZ2      TRP  36  -7.805   5.593   4.775
  231    HZ3  TRP  36           HZ3      TRP  36  -5.077   2.503   3.687
  232    HH2  TRP  36           HH2      TRP  36  -7.349   3.266   4.136
  233    H    ARG  37           HN       ARG  37  -0.355   9.111   2.880
  234    HA   ARG  37           HA       ARG  37  -2.536  10.659   1.835
  235    HB2  ARG  37           HB2      ARG  37   0.386  11.394   2.056
  236    HB3  ARG  37           HB1      ARG  37  -0.949  12.509   1.799
  237    HG2  ARG  37           HG2      ARG  37  -1.836  12.011   3.988
  238    HG3  ARG  37           HG1      ARG  37  -0.575  10.802   4.249
  239    HD2  ARG  37           HD2      ARG  37   1.100  12.651   3.917
  240    HD3  ARG  37           HD1      ARG  37  -0.250  13.779   3.965
  241    HE   ARG  37           HE       ARG  37  -0.608  13.212   6.237
  242   HH11  ARG  37          HH11      ARG  37   2.242  11.722   4.843
  243   HH12  ARG  37          HH12      ARG  37   2.983  11.413   6.381
  244   HH21  ARG  37          HH21      ARG  37   0.367  12.791   8.266
  245   HH22  ARG  37          HH22      ARG  37   1.920  12.018   8.321
  246    H    CYS  38           HN       CYS  38  -0.197   8.665   0.435
  247    HA   CYS  38           HA       CYS  38  -0.227  10.074  -2.112
  248    HB2  CYS  38           HB2      CYS  38   1.231   7.551  -1.301
  249    HB3  CYS  38           HB1      CYS  38   1.475   8.463  -2.794
  250    H    HIS  39           HN       HIS  39  -1.717   7.414  -0.524
  251    HA   HIS  39           HA       HIS  39  -2.874   6.441  -3.026
  252    HB2  HIS  39           HB2      HIS  39  -2.670   5.372  -0.256
  253    HB3  HIS  39           HB1      HIS  39  -4.074   4.897  -1.202
  254    HD1  HIS  39           HD1      HIS  39  -3.320   2.466  -1.366
  255    HD2  HIS  39           HD2      HIS  39  -0.593   5.157  -2.970
  256    HE1  HIS  39           HE1      HIS  39  -1.661   1.057  -2.617
  257    HE2  HIS  39           HE2      HIS  39  -0.158   2.734  -3.774
  258    H    PHE  40           HN       PHE  40  -3.680   8.255  -0.161
  259    HA   PHE  40           HA       PHE  40  -6.359   8.775  -1.267
  260    HB2  PHE  40           HB2      PHE  40  -5.644   8.295   1.636
  261    HB3  PHE  40           HB1      PHE  40  -7.202   8.898   1.085
  262    HD1  PHE  40           HD2      PHE  40  -8.715   7.446  -0.165
  263    HD2  PHE  40           HD1      PHE  40  -5.055   6.000   1.444
  264    HE1  PHE  40           HE2      PHE  40  -9.510   5.139  -0.441
  265    HE2  PHE  40           HE1      PHE  40  -5.844   3.688   1.169
  266    HZ   PHE  40           HZ       PHE  40  -8.072   3.256   0.238
  267    HA   PRO  41           HA       PRO  41  -5.413  13.091  -0.528
  268    HB2  PRO  41           HB2      PRO  41  -8.156  13.436   0.506
  269    HB3  PRO  41           HB1      PRO  41  -7.383  14.191  -0.891
  270    HG2  PRO  41           HG2      PRO  41  -9.277  12.324  -1.190
  271    HG3  PRO  41           HG1      PRO  41  -7.895  12.428  -2.297
  272    HD2  PRO  41           HD2      PRO  41  -8.351  10.555  -0.005
  273    HD3  PRO  41           HD1      PRO  41  -7.694  10.218  -1.619
  274    H    ALA  42           HN       ALA  42  -5.182  14.612   1.195
  275    HA   ALA  42           HA       ALA  42  -4.380  13.344   3.599
  276    HB1  ALA  42           HB1      ALA  42  -3.188  15.254   2.656
  277    HB2  ALA  42           HB2      ALA  42  -3.691  15.565   4.318
  278    HB3  ALA  42           HB3      ALA  42  -4.582  16.285   2.977
  279    H    GLY  43           HN       GLY  43  -7.387  14.557   2.632
  280    HA2  GLY  43           HA2      GLY  43  -8.319  15.181   5.302
  281    HA3  GLY  43           HA1      GLY  43  -9.295  15.120   3.841
  282    H    THR  44           HN       THR  44  -7.790  12.362   3.539
  283    HA   THR  44           HA       THR  44  -9.955  10.862   4.760
  284    HB   THR  44           HB       THR  44  -7.711   9.871   2.990
  285    HG1  THR  44           HG1      THR  44  -9.645   9.890   1.462
  286   HG21  THR  44          HG21      THR  44  -8.803   8.105   4.305
  287   HG22  THR  44          HG22      THR  44  -9.191   7.958   2.591
  288   HG23  THR  44          HG23      THR  44 -10.376   8.635   3.709
  289    H    SER  45           HN       SER  45  -9.771   9.943   6.682
  290    HA   SER  45           HA       SER  45  -7.166   9.770   7.950
  291    HB2  SER  45           HB2      SER  45  -8.638   9.063   9.940
  292    HB3  SER  45           HB1      SER  45  -8.805  10.717   9.357
  293    HG   SER  45           HG       SER  45 -10.574   8.561   9.163
  294    H    ARG  46           HN       ARG  46  -6.147   7.912   8.517
  295    HA   ARG  46           HA       ARG  46  -6.863   5.548   7.098
  296    HB2  ARG  46           HB2      ARG  46  -4.866   4.571   8.117
  297    HB3  ARG  46           HB1      ARG  46  -4.525   6.146   7.435
  298    HG2  ARG  46           HG2      ARG  46  -4.637   7.134   9.674
  299    HG3  ARG  46           HG1      ARG  46  -4.940   5.536  10.352
  300    HD2  ARG  46           HD2      ARG  46  -2.779   4.764   9.584
  301    HD3  ARG  46           HD1      ARG  46  -2.487   6.303   8.774
  302    HE   ARG  46           HE       ARG  46  -2.906   7.031  11.343
  303   HH11  ARG  46          HH11      ARG  46  -0.766   4.686   9.864
  304   HH12  ARG  46          HH12      ARG  46   0.458   4.846  11.079
  305   HH21  ARG  46          HH21      ARG  46  -1.303   7.243  12.939
  306   HH22  ARG  46          HH22      ARG  46   0.156   6.309  12.833
  307    HA   PRO  47           HA       PRO  47  -9.730   4.056  10.055
  308    HB2  PRO  47           HB2      PRO  47 -10.059   1.551   9.065
  309    HB3  PRO  47           HB1      PRO  47 -10.735   2.990   8.294
  310    HG2  PRO  47           HG2      PRO  47  -8.254   1.464   7.611
  311    HG3  PRO  47           HG1      PRO  47  -9.485   2.145   6.530
  312    HD2  PRO  47           HD2      PRO  47  -7.106   3.360   6.989
  313    HD3  PRO  47           HD1      PRO  47  -8.597   4.263   6.645
  314    H    GLY  48           HN       GLY  48  -9.723   3.062  11.963
  315    HA2  GLY  48           HA2      GLY  48  -7.320   1.696  12.831
  316    HA3  GLY  48           HA1      GLY  48  -8.702   2.123  13.831
  317    H    THR  49           HN       THR  49  -9.977   0.721  11.192
  318    HA   THR  49           HA       THR  49 -10.311  -1.845  12.503
  319    HB   THR  49           HB       THR  49 -11.805  -2.245  10.440
  320    HG1  THR  49           HG1      THR  49 -12.400  -0.339   9.342
  321   HG21  THR  49          HG21      THR  49 -12.479  -0.003  12.351
  322   HG22  THR  49          HG22      THR  49 -12.710  -1.724  12.653
  323   HG23  THR  49          HG23      THR  49 -13.640  -0.917  11.391
  324    H    GLY  50           HN       GLY  50  -8.022  -0.549  10.604
  325    HA2  GLY  50           HA2      GLY  50  -6.285  -2.335  10.095
  326    HA3  GLY  50           HA1      GLY  50  -7.551  -3.031   9.095
  327    H    LEU  51           HN       LEU  51  -4.804  -1.547   8.763
  328    HA   LEU  51           HA       LEU  51  -5.353   0.659   7.061
  329    HB2  LEU  51           HB2      LEU  51  -3.160  -0.161   8.323
  330    HB3  LEU  51           HB1      LEU  51  -2.863  -0.973   6.803
  331    HG   LEU  51           HG       LEU  51  -1.682   1.164   6.941
  332   HD11  LEU  51          HD11      LEU  51  -2.363   0.349   4.751
  333   HD12  LEU  51          HD12      LEU  51  -2.399   2.111   4.818
  334   HD13  LEU  51          HD13      LEU  51  -3.904   1.196   4.911
  335   HD21  LEU  51          HD21      LEU  51  -4.423   2.407   7.089
  336   HD22  LEU  51          HD22      LEU  51  -2.894   3.270   6.941
  337   HD23  LEU  51          HD23      LEU  51  -3.246   2.343   8.399
  338    H    ARG  52           HN       ARG  52  -6.031   0.621   4.997
  339    HA   ARG  52           HA       ARG  52  -6.091  -2.003   3.681
  340    HB2  ARG  52           HB2      ARG  52  -7.989   0.333   3.502
  341    HB3  ARG  52           HB1      ARG  52  -8.052  -1.049   2.415
  342    HG2  ARG  52           HG2      ARG  52  -8.417  -2.532   4.318
  343    HG3  ARG  52           HG1      ARG  52  -8.363  -1.144   5.405
  344    HD2  ARG  52           HD2      ARG  52 -10.317  -0.197   4.334
  345    HD3  ARG  52           HD1      ARG  52 -10.346  -1.519   3.166
  346    HE   ARG  52           HE       ARG  52 -10.501  -2.818   5.518
  347   HH11  ARG  52          HH11      ARG  52 -12.275  -0.111   4.202
  348   HH12  ARG  52          HH12      ARG  52 -13.731  -0.467   5.073
  349   HH21  ARG  52          HH21      ARG  52 -12.420  -3.309   6.667
  350   HH22  ARG  52          HH22      ARG  52 -13.816  -2.299   6.476
  351    H    CYS  53           HN       CYS  53  -5.116  -2.276   1.838
  352    HA   CYS  53           HA       CYS  53  -3.688  -0.183   0.523
  353    HB2  CYS  53           HB2      CYS  53  -3.001  -1.889  -1.040
  354    HB3  CYS  53           HB1      CYS  53  -2.927  -2.559   0.588
  355    H    ARG  54           HN       ARG  54  -4.017  -0.443  -2.144
  356    HA   ARG  54           HA       ARG  54  -6.375   1.070  -2.520
  357    HB2  ARG  54           HB2      ARG  54  -5.801   1.142  -4.872
  358    HB3  ARG  54           HB1      ARG  54  -4.368   1.410  -3.895
  359    HG2  ARG  54           HG2      ARG  54  -3.648  -0.871  -4.287
  360    HG3  ARG  54           HG1      ARG  54  -5.111  -1.187  -5.222
  361    HD2  ARG  54           HD2      ARG  54  -2.898   0.748  -5.888
  362    HD3  ARG  54           HD1      ARG  54  -3.293  -0.749  -6.733
  363    HE   ARG  54           HE       ARG  54  -5.568   0.841  -6.790
  364   HH11  ARG  54          HH11      ARG  54  -2.294   0.918  -8.026
  365   HH12  ARG  54          HH12      ARG  54  -2.692   1.934  -9.377
  366   HH21  ARG  54          HH21      ARG  54  -6.097   2.180  -8.566
  367   HH22  ARG  54          HH22      ARG  54  -4.857   2.641  -9.690
  368    H    SER  55           HN       SER  55  -5.604  -2.315  -3.175
  369    HA   SER  55           HA       SER  55  -8.002  -2.860  -4.592
  370    HB2  SER  55           HB2      SER  55  -6.001  -4.292  -4.758
  371    HB3  SER  55           HB1      SER  55  -6.199  -4.760  -3.072
  372    HG   SER  55           HG       SER  55  -7.171  -6.025  -5.053
  373    H    CYS  56           HN       CYS  56  -7.067  -3.158  -1.186
  374    HA   CYS  56           HA       CYS  56  -9.535  -4.261  -0.322
  375    HB2  CYS  56           HB2      CYS  56  -7.323  -2.837   1.146
  376    HB3  CYS  56           HB1      CYS  56  -8.774  -3.408   1.963
  377    H    SER  57           HN       SER  57  -8.511  -1.024  -1.043
  378    HA   SER  57           HA       SER  57 -10.882   0.098   0.226
  379    HB2  SER  57           HB2      SER  57  -9.963   2.282  -0.484
  380    HB3  SER  57           HB1      SER  57  -8.809   1.350   0.470
  381    HG   SER  57           HG       SER  57  -8.563   0.805  -2.178
  382    H    GLY  58           HN       GLY  58 -10.303  -1.495  -2.529
  383    HA2  GLY  58           HA2      GLY  58 -11.689   0.186  -4.416
  384    HA3  GLY  58           HA1      GLY  58 -11.169  -1.472  -4.674
  385    H    ASP  59           HN       ASP  59 -13.429   0.259  -2.563
  386    HA   ASP  59           HA       ASP  59 -15.286  -1.973  -2.707
  387    HB2  ASP  59           HB2      ASP  59 -14.860  -0.928  -0.524
  388    HB3  ASP  59           HB1      ASP  59 -15.424   0.618  -1.146
  389    H    VAL  60           HN       VAL  60 -17.102  -1.990  -3.876
  390    HA   VAL  60           HA       VAL  60 -17.642   0.321  -5.562
  391    HB   VAL  60           HB       VAL  60 -19.229  -1.283  -6.725
  392   HG11  VAL  60          HG11      VAL  60 -17.413  -2.443  -7.900
  393   HG12  VAL  60          HG12      VAL  60 -16.302  -1.997  -6.605
  394   HG13  VAL  60          HG13      VAL  60 -17.028  -0.747  -7.614
  395   HG21  VAL  60          HG21      VAL  60 -19.486  -2.893  -4.890
  396   HG22  VAL  60          HG22      VAL  60 -17.780  -3.317  -5.029
  397   HG23  VAL  60          HG23      VAL  60 -18.887  -3.671  -6.355
  398    H    THR  61           HN       THR  61 -18.369   1.389  -3.523
  399    HA   THR  61           HA       THR  61 -20.610   0.657  -2.057
  400    HB   THR  61           HB       THR  61 -19.802   3.497  -2.713
  401    HG1  THR  61           HG1      THR  61 -18.546   1.507  -1.204
  402   HG21  THR  61          HG21      THR  61 -21.134   2.303  -0.277
  403   HG22  THR  61          HG22      THR  61 -21.941   3.259  -1.521
  404   HG23  THR  61          HG23      THR  61 -20.707   3.998  -0.499
  405    HA   PRO  62           HA       PRO  62 -23.717   1.114  -5.251
  406    HB2  PRO  62           HB2      PRO  62 -25.824   0.339  -3.740
  407    HB3  PRO  62           HB1      PRO  62 -24.641  -0.808  -4.380
  408    HG2  PRO  62           HG2      PRO  62 -24.840   0.377  -1.641
  409    HG3  PRO  62           HG1      PRO  62 -24.493  -1.297  -2.113
  410    HD2  PRO  62           HD2      PRO  62 -22.562   0.463  -1.374
  411    HD3  PRO  62           HD1      PRO  62 -22.280  -0.849  -2.536
  412    H    ALA  63           HN       ALA  63 -25.176   2.666  -5.824
  413    HA   ALA  63           HA       ALA  63 -25.372   5.002  -4.152
  414    HB1  ALA  63           HB1      ALA  63 -25.097   5.234  -6.567
  415    HB2  ALA  63           HB2      ALA  63 -26.601   5.981  -6.030
  416    HB3  ALA  63           HB3      ALA  63 -26.633   4.409  -6.828
  417    HA   PRO  64           HA       PRO  64 -29.161   3.689  -2.220
  418    HB2  PRO  64           HB2      PRO  64 -29.746   6.023  -0.970
  419    HB3  PRO  64           HB1      PRO  64 -28.485   4.921  -0.405
  420    HG2  PRO  64           HG2      PRO  64 -28.228   7.436  -2.001
  421    HG3  PRO  64           HG1      PRO  64 -27.222   6.847  -0.666
  422    HD2  PRO  64           HD2      PRO  64 -26.516   6.624  -3.287
  423    HD3  PRO  64           HD1      PRO  64 -25.991   5.482  -2.035
  424    H    VAL  65           HN       VAL  65 -30.122   3.560  -4.415
  425    HA   VAL  65           HA       VAL  65 -31.699   5.872  -5.236
  426    HB   VAL  65           HB       VAL  65 -31.524   3.133  -6.512
  427   HG11  VAL  65          HG11      VAL  65 -32.627   5.737  -7.567
  428   HG12  VAL  65          HG12      VAL  65 -33.571   4.330  -7.082
  429   HG13  VAL  65          HG13      VAL  65 -32.494   4.231  -8.475
  430   HG21  VAL  65          HG21      VAL  65 -30.081   5.688  -7.223
  431   HG22  VAL  65          HG22      VAL  65 -30.048   4.197  -8.163
  432   HG23  VAL  65          HG23      VAL  65 -29.352   4.233  -6.543
  433    H    GLU  66           HN       GLU  66 -33.519   6.165  -4.127
  434    HA   GLU  66           HA       GLU  66 -34.941   3.859  -3.053
  435    HB2  GLU  66           HB2      GLU  66 -34.336   6.040  -1.768
  436    HB3  GLU  66           HB1      GLU  66 -35.721   6.725  -2.609
  437    HG2  GLU  66           HG2      GLU  66 -36.332   5.955  -0.393
  438    HG3  GLU  66           HG1      GLU  66 -37.164   5.022  -1.638
  Start of MODEL   32
    1    H1   GLY   1           HT1      GLY   1  24.235   6.235  10.274
    2    H2   GLY   1           HT2      GLY   1  22.616   6.533  10.644
    3    H3   GLY   1           HT3      GLY   1  23.787   7.699  10.989
    4    HA2  GLY   1           HA1      GLY   1  22.552   8.336   9.040
    5    HA3  GLY   1           HA2      GLY   1  24.229   7.995   8.639
    6    H    ALA   2           HN       ALA   2  23.267   7.783   6.457
    7    HA   ALA   2           HA       ALA   2  21.623   5.450   5.968
    8    HB1  ALA   2           HB1      ALA   2  21.711   6.157   3.616
    9    HB2  ALA   2           HB2      ALA   2  22.853   7.429   4.052
   10    HB3  ALA   2           HB3      ALA   2  21.207   7.467   4.684
   11    H    MET   3           HN       MET   3  24.957   6.205   6.092
   12    HA   MET   3           HA       MET   3  25.911   4.267   4.239
   13    HB2  MET   3           HB2      MET   3  27.245   5.693   6.533
   14    HB3  MET   3           HB1      MET   3  28.090   4.552   5.499
   15    HG2  MET   3           HG2      MET   3  27.546   5.958   3.551
   16    HG3  MET   3           HG1      MET   3  26.794   7.124   4.636
   17    HE1  MET   3           HE1      MET   3  28.809   6.942   7.163
   18    HE2  MET   3           HE2      MET   3  28.103   8.426   6.523
   19    HE3  MET   3           HE3      MET   3  29.844   8.317   6.778
   20    H    GLU   4           HN       GLU   4  24.699   4.074   7.433
   21    HA   GLU   4           HA       GLU   4  25.910   1.640   8.223
   22    HB2  GLU   4           HB2      GLU   4  24.664   3.244   9.721
   23    HB3  GLU   4           HB1      GLU   4  23.170   2.651   9.009
   24    HG2  GLU   4           HG2      GLU   4  23.582   1.577  11.132
   25    HG3  GLU   4           HG1      GLU   4  23.684   0.399   9.823
   26    H    GLY   5           HN       GLY   5  23.453   2.434   5.970
   27    HA2  GLY   5           HA2      GLY   5  23.004   0.668   4.306
   28    HA3  GLY   5           HA1      GLY   5  22.788  -0.425   5.666
   29    H    GLN   6           HN       GLN   6  21.231   1.570   3.482
   30    HA   GLN   6           HA       GLN   6  18.765   1.434   5.071
   31    HB2  GLN   6           HB2      GLN   6  19.707   3.745   5.138
   32    HB3  GLN   6           HB1      GLN   6  19.563   3.813   3.388
   33    HG2  GLN   6           HG2      GLN   6  17.136   3.495   3.591
   34    HG3  GLN   6           HG1      GLN   6  17.301   3.486   5.345
   35   HE21  GLN   6          HE21      GLN   6  19.119   5.568   3.187
   36   HE22  GLN   6          HE22      GLN   6  18.385   7.046   3.697
   37    H    GLN   7           HN       GLN   7  20.278   1.589   1.889
   38    HA   GLN   7           HA       GLN   7  17.851   1.513   0.429
   39    HB2  GLN   7           HB2      GLN   7  19.240   1.011  -1.528
   40    HB3  GLN   7           HB1      GLN   7  19.873   2.364  -0.605
   41    HG2  GLN   7           HG2      GLN   7  21.595   0.990   0.335
   42    HG3  GLN   7           HG1      GLN   7  20.902  -0.456  -0.402
   43   HE21  GLN   7          HE21      GLN   7  22.688   2.471  -0.960
   44   HE22  GLN   7          HE22      GLN   7  23.242   2.070  -2.548
   45    H    ASN   8           HN       ASN   8  19.786  -0.902   1.895
   46    HA   ASN   8           HA       ASN   8  18.459  -3.071   0.479
   47    HB2  ASN   8           HB2      ASN   8  20.608  -3.041   2.599
   48    HB3  ASN   8           HB1      ASN   8  19.869  -4.524   2.014
   49   HD21  ASN   8          HD21      ASN   8  21.869  -5.249   1.268
   50   HD22  ASN   8          HD22      ASN   8  22.591  -4.619  -0.169
   51    H    LEU   9           HN       LEU   9  17.553  -1.060   2.817
   52    HA   LEU   9           HA       LEU   9  16.169  -3.115   4.395
   53    HB2  LEU   9           HB2      LEU   9  17.585  -1.411   5.585
   54    HB3  LEU   9           HB1      LEU   9  16.482  -0.176   5.014
   55    HG   LEU   9           HG       LEU   9  14.650  -1.237   6.285
   56   HD11  LEU   9          HD11      LEU   9  15.199  -2.968   7.947
   57   HD12  LEU   9          HD12      LEU   9  16.820  -3.086   7.264
   58   HD13  LEU   9          HD13      LEU   9  15.419  -3.530   6.290
   59   HD21  LEU   9          HD21      LEU   9  15.453  -0.617   8.518
   60   HD22  LEU   9          HD22      LEU   9  15.920   0.568   7.298
   61   HD23  LEU   9          HD23      LEU   9  17.108  -0.586   7.907
   62    H    ALA  10           HN       ALA  10  15.407  -2.480   1.753
   63    HA   ALA  10           HA       ALA  10  13.130  -0.727   1.822
   64    HB1  ALA  10           HB1      ALA  10  14.009  -2.688  -0.294
   65    HB2  ALA  10           HB2      ALA  10  14.439  -0.979  -0.225
   66    HB3  ALA  10           HB3      ALA  10  12.761  -1.457  -0.483
   67    HA   PRO  11           HA       PRO  11  10.488  -3.828   3.589
   68    HB2  PRO  11           HB2      PRO  11   8.194  -2.405   3.517
   69    HB3  PRO  11           HB1      PRO  11   9.492  -2.063   4.667
   70    HG2  PRO  11           HG2      PRO  11   8.847  -0.699   2.080
   71    HG3  PRO  11           HG1      PRO  11   9.283   0.016   3.643
   72    HD2  PRO  11           HD2      PRO  11  11.062  -0.280   1.622
   73    HD3  PRO  11           HD1      PRO  11  11.529  -0.358   3.332
   74    H    GLY  12           HN       GLY  12  11.053  -4.470   0.969
   75    HA2  GLY  12           HA2      GLY  12  10.149  -5.843  -0.654
   76    HA3  GLY  12           HA1      GLY  12   8.595  -5.704   0.152
   77    H    ALA  13           HN       ALA  13   7.702  -3.351  -0.028
   78    HA   ALA  13           HA       ALA  13   7.915  -2.552  -2.851
   79    HB1  ALA  13           HB1      ALA  13   5.518  -2.455  -1.025
   80    HB2  ALA  13           HB2      ALA  13   5.756  -3.535  -2.397
   81    HB3  ALA  13           HB3      ALA  13   5.569  -1.802  -2.662
   82    H    ARG  14           HN       ARG  14   7.175  -0.223  -3.169
   83    HA   ARG  14           HA       ARG  14   7.935   1.493  -0.909
   84    HB2  ARG  14           HB2      ARG  14   8.950   1.853  -3.740
   85    HB3  ARG  14           HB1      ARG  14   9.288   2.908  -2.377
   86    HG2  ARG  14           HG2      ARG  14  10.537   1.128  -1.287
   87    HG3  ARG  14           HG1      ARG  14  10.167   0.039  -2.626
   88    HD2  ARG  14           HD2      ARG  14  11.787   2.576  -2.743
   89    HD3  ARG  14           HD1      ARG  14  12.386   0.926  -2.920
   90    HE   ARG  14           HE       ARG  14  10.675   0.990  -4.924
   91   HH11  ARG  14          HH11      ARG  14  12.961   3.436  -3.906
   92   HH12  ARG  14          HH12      ARG  14  13.138   4.114  -5.490
   93   HH21  ARG  14          HH21      ARG  14  10.914   1.875  -7.024
   94   HH22  ARG  14          HH22      ARG  14  11.972   3.231  -7.260
   95    H    CYS  15           HN       CYS  15   7.125   3.691  -1.142
   96    HA   CYS  15           HA       CYS  15   4.551   3.828  -2.345
   97    HB2  CYS  15           HB2      CYS  15   5.014   5.168  -0.376
   98    HB3  CYS  15           HB1      CYS  15   6.344   5.981  -1.193
   99    H    GLY  16           HN       GLY  16   4.393   3.750  -4.511
  100    HA2  GLY  16           HA2      GLY  16   6.443   4.533  -6.293
  101    HA3  GLY  16           HA1      GLY  16   4.781   4.175  -6.737
  102    H    VAL  17           HN       VAL  17   3.939   6.308  -4.763
  103    HA   VAL  17           HA       VAL  17   3.772   8.467  -6.603
  104    HB   VAL  17           HB       VAL  17   3.157   8.453  -3.644
  105   HG11  VAL  17          HG11      VAL  17   2.235  10.313  -5.831
  106   HG12  VAL  17          HG12      VAL  17   3.358  10.707  -4.528
  107   HG13  VAL  17          HG13      VAL  17   1.673  10.336  -4.160
  108   HG21  VAL  17          HG21      VAL  17   0.837   8.031  -4.328
  109   HG22  VAL  17          HG22      VAL  17   1.916   6.716  -4.799
  110   HG23  VAL  17          HG23      VAL  17   1.369   7.884  -6.001
  111    H    CYS  18           HN       CYS  18   5.836   7.711  -3.875
  112    HA   CYS  18           HA       CYS  18   7.104  10.347  -4.078
  113    HB2  CYS  18           HB2      CYS  18   7.223   8.254  -1.904
  114    HB3  CYS  18           HB1      CYS  18   8.186   9.727  -1.902
  115    H    GLY  19           HN       GLY  19   7.714   6.928  -4.429
  116    HA2  GLY  19           HA2      GLY  19   9.480   5.922  -5.584
  117    HA3  GLY  19           HA1      GLY  19  10.311   7.474  -5.627
  118    H    ASP  20           HN       ASP  20   8.989   6.390  -2.644
  119    HA   ASP  20           HA       ASP  20  11.618   5.560  -1.667
  120    HB2  ASP  20           HB2      ASP  20  11.571   7.949  -1.260
  121    HB3  ASP  20           HB1      ASP  20   9.970   7.832  -0.535
  122    H    GLY  21           HN       GLY  21  11.542   4.441   0.365
  123    HA2  GLY  21           HA2      GLY  21   8.843   3.491   1.100
  124    HA3  GLY  21           HA1      GLY  21  10.193   2.380   0.915
  125    H    THR  22           HN       THR  22  10.818   5.491   2.260
  126    HA   THR  22           HA       THR  22  11.626   4.297   4.760
  127    HB   THR  22           HB       THR  22  11.582   7.230   4.035
  128    HG1  THR  22           HG1      THR  22  12.870   6.325   2.487
  129   HG21  THR  22          HG21      THR  22  11.909   6.735   6.416
  130   HG22  THR  22          HG22      THR  22  13.376   7.395   5.694
  131   HG23  THR  22          HG23      THR  22  13.252   5.665   6.009
  132    H    ASP  23           HN       ASP  23  10.435   4.209   6.569
  133    HA   ASP  23           HA       ASP  23   8.623   4.316   7.940
  134    HB2  ASP  23           HB2      ASP  23   8.700   7.176   6.978
  135    HB3  ASP  23           HB1      ASP  23   7.594   6.614   8.225
  136    H    VAL  24           HN       VAL  24   7.820   2.904   6.108
  137    HA   VAL  24           HA       VAL  24   5.726   4.188   4.520
  138    HB   VAL  24           HB       VAL  24   7.628   2.779   3.509
  139   HG11  VAL  24          HG11      VAL  24   7.529   0.900   5.017
  140   HG12  VAL  24          HG12      VAL  24   7.204   0.377   3.365
  141   HG13  VAL  24          HG13      VAL  24   5.875   0.551   4.512
  142   HG21  VAL  24          HG21      VAL  24   6.176   1.919   1.751
  143   HG22  VAL  24          HG22      VAL  24   5.722   3.552   2.237
  144   HG23  VAL  24          HG23      VAL  24   4.774   2.172   2.789
  145    H    LEU  25           HN       LEU  25   3.629   3.261   4.394
  146    HA   LEU  25           HA       LEU  25   2.862   1.876   6.839
  147    HB2  LEU  25           HB2      LEU  25   1.147   3.071   4.656
  148    HB3  LEU  25           HB1      LEU  25   0.556   2.396   6.162
  149    HG   LEU  25           HG       LEU  25   2.262   4.869   5.862
  150   HD11  LEU  25          HD11      LEU  25  -0.605   4.511   6.712
  151   HD12  LEU  25          HD12      LEU  25  -0.050   5.192   5.184
  152   HD13  LEU  25          HD13      LEU  25   0.286   6.032   6.698
  153   HD21  LEU  25          HD21      LEU  25   1.948   5.151   8.273
  154   HD22  LEU  25          HD22      LEU  25   2.838   3.675   7.904
  155   HD23  LEU  25          HD23      LEU  25   1.133   3.589   8.349
  156    H    ARG  26           HN       ARG  26   1.786  -0.066   6.868
  157    HA   ARG  26           HA       ARG  26   2.170  -1.710   4.457
  158    HB2  ARG  26           HB2      ARG  26   2.089  -2.484   7.381
  159    HB3  ARG  26           HB1      ARG  26   2.200  -3.631   6.057
  160    HG2  ARG  26           HG2      ARG  26   4.234  -1.486   6.616
  161    HG3  ARG  26           HG1      ARG  26   4.360  -3.154   7.172
  162    HD2  ARG  26           HD2      ARG  26   4.224  -2.235   4.302
  163    HD3  ARG  26           HD1      ARG  26   5.662  -2.812   5.142
  164    HE   ARG  26           HE       ARG  26   3.412  -4.647   5.042
  165   HH11  ARG  26          HH11      ARG  26   6.483  -3.676   3.689
  166   HH12  ARG  26          HH12      ARG  26   6.730  -5.166   2.843
  167   HH21  ARG  26          HH21      ARG  26   3.725  -6.613   3.930
  168   HH22  ARG  26          HH22      ARG  26   5.153  -6.834   2.970
  169    H    CYS  27           HN       CYS  27   0.538  -3.234   3.905
  170    HA   CYS  27           HA       CYS  27  -2.127  -2.408   4.698
  171    HB2  CYS  27           HB2      CYS  27  -1.510  -3.018   2.306
  172    HB3  CYS  27           HB1      CYS  27  -1.415  -4.701   2.838
  173    H    THR  28           HN       THR  28  -3.307  -3.375   6.231
  174    HA   THR  28           HA       THR  28  -2.127  -5.551   7.706
  175    HB   THR  28           HB       THR  28  -4.102  -5.322   9.177
  176    HG1  THR  28           HG1      THR  28  -5.818  -4.380   8.405
  177   HG21  THR  28          HG21      THR  28  -3.585  -3.083  10.004
  178   HG22  THR  28          HG22      THR  28  -2.792  -2.690   8.479
  179   HG23  THR  28          HG23      THR  28  -2.108  -3.924   9.537
  180    H    HIS  29           HN       HIS  29  -3.974  -5.405   4.977
  181    HA   HIS  29           HA       HIS  29  -5.381  -7.919   5.558
  182    HB2  HIS  29           HB2      HIS  29  -5.879  -5.767   3.509
  183    HB3  HIS  29           HB1      HIS  29  -6.653  -7.343   3.423
  184    HD1  HIS  29           HD1      HIS  29  -8.733  -7.650   4.773
  185    HD2  HIS  29           HD2      HIS  29  -6.577  -4.287   5.921
  186    HE1  HIS  29           HE1      HIS  29 -10.190  -6.444   6.427
  187    HE2  HIS  29           HE2      HIS  29  -8.780  -4.526   7.250
  188    H    CYS  30           HN       CYS  30  -2.927  -6.489   3.565
  189    HA   CYS  30           HA       CYS  30  -2.252  -9.105   2.533
  190    HB2  CYS  30           HB2      CYS  30  -2.454  -8.634   0.240
  191    HB3  CYS  30           HB1      CYS  30  -3.932  -7.973   0.928
  192    H    ALA  31           HN       ALA  31  -0.435  -8.151   0.566
  193    HA   ALA  31           HA       ALA  31   1.569  -6.924   2.310
  194    HB1  ALA  31           HB1      ALA  31   2.137  -9.151   1.462
  195    HB2  ALA  31           HB2      ALA  31   3.249  -7.921   0.861
  196    HB3  ALA  31           HB3      ALA  31   1.981  -8.554  -0.189
  197    H    ALA  32           HN       ALA  32   1.909  -4.836   1.974
  198    HA   ALA  32           HA       ALA  32   2.442  -3.791  -0.630
  199    HB1  ALA  32           HB1      ALA  32  -0.063  -2.814   0.746
  200    HB2  ALA  32           HB2      ALA  32  -0.013  -3.789  -0.723
  201    HB3  ALA  32           HB3      ALA  32   0.640  -2.152  -0.728
  202    H    ALA  33           HN       ALA  33   3.311  -1.677  -0.545
  203    HA   ALA  33           HA       ALA  33   3.688  -0.522   2.128
  204    HB1  ALA  33           HB1      ALA  33   5.935  -0.974   0.161
  205    HB2  ALA  33           HB2      ALA  33   5.657  -1.916   1.626
  206    HB3  ALA  33           HB3      ALA  33   6.057  -0.203   1.744
  207    H    PHE  34           HN       PHE  34   2.868   1.445   2.004
  208    HA   PHE  34           HA       PHE  34   3.659   3.268  -0.094
  209    HB2  PHE  34           HB2      PHE  34   1.388   3.771  -0.849
  210    HB3  PHE  34           HB1      PHE  34   1.749   2.072  -1.131
  211    HD1  PHE  34           HD2      PHE  34   0.857   0.367   0.510
  212    HD2  PHE  34           HD1      PHE  34  -0.465   4.412   0.432
  213    HE1  PHE  34           HE2      PHE  34  -1.169  -0.274   1.749
  214    HE2  PHE  34           HE1      PHE  34  -2.491   3.776   1.670
  215    HZ   PHE  34           HZ       PHE  34  -2.839   1.447   2.346
  216    H    HIS  35           HN       HIS  35   2.387   5.437   0.301
  217    HA   HIS  35           HA       HIS  35   2.030   5.781   3.204
  218    HB2  HIS  35           HB2      HIS  35   2.487   7.992   1.191
  219    HB3  HIS  35           HB1      HIS  35   2.517   8.120   2.942
  220    HD2  HIS  35           HD2      HIS  35   4.669   5.647   3.473
  221    HE1  HIS  35           HE1      HIS  35   7.153   8.064   1.031
  222    HE2  HIS  35           HE2      HIS  35   7.109   6.334   2.893
  223    H    TRP  36           HN       TRP  36   0.059   6.526   3.942
  224    HA   TRP  36           HA       TRP  36  -2.162   5.832   2.433
  225    HB2  TRP  36           HB2      TRP  36  -2.192   5.925   4.868
  226    HB3  TRP  36           HB1      TRP  36  -2.039   7.678   4.821
  227    HD1  TRP  36           HD1      TRP  36  -4.218   9.049   4.637
  228    HE1  TRP  36           HE1      TRP  36  -6.708   8.465   4.407
  229    HE3  TRP  36           HE3      TRP  36  -3.791   4.039   3.715
  230    HZ2  TRP  36           HZ2      TRP  36  -8.289   6.181   3.888
  231    HZ3  TRP  36           HZ3      TRP  36  -5.844   2.729   3.364
  232    HH2  TRP  36           HH2      TRP  36  -8.044   3.779   3.449
  233    H    ARG  37           HN       ARG  37  -1.010   9.126   3.175
  234    HA   ARG  37           HA       ARG  37  -3.090  10.478   1.850
  235    HB2  ARG  37           HB2      ARG  37  -0.261  11.469   2.197
  236    HB3  ARG  37           HB1      ARG  37  -1.692  12.450   1.934
  237    HG2  ARG  37           HG2      ARG  37  -2.566  11.697   4.115
  238    HG3  ARG  37           HG1      ARG  37  -1.062  10.810   4.377
  239    HD2  ARG  37           HD2      ARG  37  -1.445  13.785   4.121
  240    HD3  ARG  37           HD1      ARG  37  -0.833  12.884   5.505
  241    HE   ARG  37           HE       ARG  37   0.699  12.765   3.022
  242   HH11  ARG  37          HH11      ARG  37   0.397  14.013   6.283
  243   HH12  ARG  37          HH12      ARG  37   2.046  14.548   6.362
  244   HH21  ARG  37          HH21      ARG  37   2.854  13.464   3.118
  245   HH22  ARG  37          HH22      ARG  37   3.449  14.233   4.556
  246    H    CYS  38           HN       CYS  38  -0.221   8.969   0.648
  247    HA   CYS  38           HA       CYS  38  -0.179  10.362  -1.859
  248    HB2  CYS  38           HB2      CYS  38   1.170   7.762  -1.123
  249    HB3  CYS  38           HB1      CYS  38   1.605   8.849  -2.438
  250    H    HIS  39           HN       HIS  39  -1.775   7.593  -0.568
  251    HA   HIS  39           HA       HIS  39  -2.517   6.609  -3.224
  252    HB2  HIS  39           HB2      HIS  39  -2.330   5.452  -0.556
  253    HB3  HIS  39           HB1      HIS  39  -3.850   5.060  -1.350
  254    HD1  HIS  39           HD1      HIS  39  -3.564   2.751  -2.152
  255    HD2  HIS  39           HD2      HIS  39  -0.235   5.091  -2.968
  256    HE1  HIS  39           HE1      HIS  39  -2.006   1.267  -3.448
  257    HE2  HIS  39           HE2      HIS  39  -0.122   2.788  -4.147
  258    H    PHE  40           HN       PHE  40  -3.848   8.145  -0.384
  259    HA   PHE  40           HA       PHE  40  -6.398   8.494  -1.815
  260    HB2  PHE  40           HB2      PHE  40  -5.980   7.983   1.140
  261    HB3  PHE  40           HB1      PHE  40  -7.520   8.432   0.414
  262    HD1  PHE  40           HD1      PHE  40  -4.998   5.788   0.715
  263    HD2  PHE  40           HD2      PHE  40  -8.834   6.833  -0.800
  264    HE1  PHE  40           HE1      PHE  40  -5.475   3.412   0.293
  265    HE2  PHE  40           HE2      PHE  40  -9.319   4.458  -1.223
  266    HZ   PHE  40           HZ       PHE  40  -7.658   2.750  -0.673
  267    HA   PRO  41           HA       PRO  41  -4.663  12.592  -0.576
  268    HB2  PRO  41           HB2      PRO  41  -4.509  13.724  -2.988
  269    HB3  PRO  41           HB1      PRO  41  -3.298  12.555  -2.448
  270    HG2  PRO  41           HG2      PRO  41  -5.584  12.187  -4.330
  271    HG3  PRO  41           HG1      PRO  41  -3.951  11.501  -4.397
  272    HD2  PRO  41           HD2      PRO  41  -6.227  10.194  -3.449
  273    HD3  PRO  41           HD1      PRO  41  -4.550   9.709  -3.135
  274    H    ALA  42           HN       ALA  42  -7.547  11.475  -1.283
  275    HA   ALA  42           HA       ALA  42  -8.894  13.876  -2.162
  276    HB1  ALA  42           HB1      ALA  42 -10.035  11.236  -1.260
  277    HB2  ALA  42           HB2      ALA  42  -9.657  11.681  -2.924
  278    HB3  ALA  42           HB3      ALA  42 -10.924  12.539  -2.049
  279    H    GLY  43           HN       GLY  43  -7.555  13.178   0.669
  280    HA2  GLY  43           HA2      GLY  43  -7.878  14.367   2.676
  281    HA3  GLY  43           HA1      GLY  43  -9.527  14.722   2.173
  282    H    THR  44           HN       THR  44  -8.761  11.522   1.632
  283    HA   THR  44           HA       THR  44 -10.620  10.556   3.524
  284    HB   THR  44           HB       THR  44  -8.519   8.981   2.025
  285    HG1  THR  44           HG1      THR  44 -11.127   9.854   1.257
  286   HG21  THR  44          HG21      THR  44 -10.082   7.123   2.218
  287   HG22  THR  44          HG22      THR  44 -11.222   8.149   3.087
  288   HG23  THR  44          HG23      THR  44  -9.672   7.740   3.819
  289    H    SER  45           HN       SER  45 -10.353   9.851   5.558
  290    HA   SER  45           HA       SER  45  -7.743  10.186   6.785
  291    HB2  SER  45           HB2      SER  45 -10.385   9.437   8.065
  292    HB3  SER  45           HB1      SER  45  -8.940  10.030   8.888
  293    HG   SER  45           HG       SER  45  -9.804  11.923   8.593
  294    H    ARG  46           HN       ARG  46  -6.495   8.561   7.572
  295    HA   ARG  46           HA       ARG  46  -6.951   5.963   6.498
  296    HB2  ARG  46           HB2      ARG  46  -4.816   5.381   7.476
  297    HB3  ARG  46           HB1      ARG  46  -4.701   6.943   6.691
  298    HG2  ARG  46           HG2      ARG  46  -4.813   8.068   8.824
  299    HG3  ARG  46           HG1      ARG  46  -5.043   6.527   9.651
  300    HD2  ARG  46           HD2      ARG  46  -2.844   5.787   8.912
  301    HD3  ARG  46           HD1      ARG  46  -2.615   7.303   8.041
  302    HE   ARG  46           HE       ARG  46  -2.943   8.308  10.402
  303   HH11  ARG  46          HH11      ARG  46  -1.282   5.307   9.684
  304   HH12  ARG  46          HH12      ARG  46  -0.226   5.426  11.052
  305   HH21  ARG  46          HH21      ARG  46  -1.560   8.455  12.191
  306   HH22  ARG  46          HH22      ARG  46  -0.379   7.213  12.472
  307    HA   PRO  47           HA       PRO  47  -9.186   4.262   9.917
  308    HB2  PRO  47           HB2      PRO  47  -8.988   1.645   9.227
  309    HB3  PRO  47           HB1      PRO  47 -10.074   2.772   8.408
  310    HG2  PRO  47           HG2      PRO  47  -7.382   1.784   7.567
  311    HG3  PRO  47           HG1      PRO  47  -8.840   2.032   6.588
  312    HD2  PRO  47           HD2      PRO  47  -6.771   3.795   6.647
  313    HD3  PRO  47           HD1      PRO  47  -8.453   4.285   6.362
  314    H    GLY  48           HN       GLY  48  -8.545   3.830  11.927
  315    HA2  GLY  48           HA2      GLY  48  -5.851   2.893  12.451
  316    HA3  GLY  48           HA1      GLY  48  -7.055   3.348  13.653
  317    H    THR  49           HN       THR  49  -8.887   1.528  11.935
  318    HA   THR  49           HA       THR  49  -8.342  -0.889  13.454
  319    HB   THR  49           HB       THR  49 -10.606  -1.572  12.453
  320    HG1  THR  49           HG1      THR  49 -11.472  -0.207  11.101
  321   HG21  THR  49          HG21      THR  49 -10.430   0.832  14.273
  322   HG22  THR  49          HG22      THR  49 -10.350  -0.859  14.768
  323   HG23  THR  49          HG23      THR  49 -11.842  -0.210  14.090
  324    H    GLY  50           HN       GLY  50  -6.449  -0.531  11.527
  325    HA2  GLY  50           HA2      GLY  50  -5.488  -2.327  10.253
  326    HA3  GLY  50           HA1      GLY  50  -7.101  -2.730   9.687
  327    H    LEU  51           HN       LEU  51  -4.251  -1.048   9.050
  328    HA   LEU  51           HA       LEU  51  -5.201   0.924   7.250
  329    HB2  LEU  51           HB2      LEU  51  -2.889   0.629   8.427
  330    HB3  LEU  51           HB1      LEU  51  -2.500  -0.381   7.053
  331    HG   LEU  51           HG       LEU  51  -1.655   1.944   6.862
  332   HD11  LEU  51          HD11      LEU  51  -2.022   0.641   4.853
  333   HD12  LEU  51          HD12      LEU  51  -2.399   2.341   4.574
  334   HD13  LEU  51          HD13      LEU  51  -3.702   1.173   4.796
  335   HD21  LEU  51          HD21      LEU  51  -4.562   2.695   6.638
  336   HD22  LEU  51          HD22      LEU  51  -3.178   3.769   6.439
  337   HD23  LEU  51          HD23      LEU  51  -3.518   3.052   8.013
  338    H    ARG  52           HN       ARG  52  -5.946   0.703   5.243
  339    HA   ARG  52           HA       ARG  52  -5.656  -1.910   3.916
  340    HB2  ARG  52           HB2      ARG  52  -7.817   0.189   3.602
  341    HB3  ARG  52           HB1      ARG  52  -7.748  -1.333   2.727
  342    HG2  ARG  52           HG2      ARG  52  -8.135  -2.586   4.703
  343    HG3  ARG  52           HG1      ARG  52  -7.923  -1.159   5.724
  344    HD2  ARG  52           HD2      ARG  52  -9.910  -0.151   4.608
  345    HD3  ARG  52           HD1      ARG  52 -10.153  -1.677   3.759
  346    HE   ARG  52           HE       ARG  52 -10.129  -2.500   6.285
  347   HH11  ARG  52          HH11      ARG  52 -11.807   0.184   4.785
  348   HH12  ARG  52          HH12      ARG  52 -13.099   0.179   5.942
  349   HH21  ARG  52          HH21      ARG  52 -11.830  -2.514   7.795
  350   HH22  ARG  52          HH22      ARG  52 -13.120  -1.362   7.650
  351    H    CYS  53           HN       CYS  53  -4.724  -1.991   1.944
  352    HA   CYS  53           HA       CYS  53  -3.676   0.389   0.735
  353    HB2  CYS  53           HB2      CYS  53  -2.685  -1.051  -0.895
  354    HB3  CYS  53           HB1      CYS  53  -2.567  -1.887   0.652
  355    H    ARG  54           HN       ARG  54  -4.054   0.318  -1.898
  356    HA   ARG  54           HA       ARG  54  -6.658   1.367  -2.199
  357    HB2  ARG  54           HB2      ARG  54  -4.897   2.176  -3.616
  358    HB3  ARG  54           HB1      ARG  54  -4.572   0.564  -4.228
  359    HG2  ARG  54           HG2      ARG  54  -6.745   0.544  -5.345
  360    HG3  ARG  54           HG1      ARG  54  -7.074   2.165  -4.726
  361    HD2  ARG  54           HD2      ARG  54  -4.705   1.481  -6.457
  362    HD3  ARG  54           HD1      ARG  54  -6.240   2.072  -7.092
  363    HE   ARG  54           HE       ARG  54  -5.812   4.064  -5.577
  364   HH11  ARG  54          HH11      ARG  54  -3.208   2.189  -6.978
  365   HH12  ARG  54          HH12      ARG  54  -2.114   3.530  -7.058
  366   HH21  ARG  54          HH21      ARG  54  -4.378   5.840  -5.699
  367   HH22  ARG  54          HH22      ARG  54  -2.780   5.608  -6.340
  368    H    SER  55           HN       SER  55  -5.209  -1.702  -3.221
  369    HA   SER  55           HA       SER  55  -7.431  -2.672  -4.630
  370    HB2  SER  55           HB2      SER  55  -5.220  -3.637  -4.917
  371    HB3  SER  55           HB1      SER  55  -5.205  -4.172  -3.240
  372    HG   SER  55           HG       SER  55  -6.175  -5.430  -5.380
  373    H    CYS  56           HN       CYS  56  -6.466  -3.157  -1.231
  374    HA   CYS  56           HA       CYS  56  -8.686  -4.852  -0.651
  375    HB2  CYS  56           HB2      CYS  56  -6.813  -3.353   1.182
  376    HB3  CYS  56           HB1      CYS  56  -8.041  -4.479   1.745
  377    H    SER  57           HN       SER  57  -8.276  -1.405  -0.745
  378    HA   SER  57           HA       SER  57 -10.611  -0.862   0.861
  379    HB2  SER  57           HB2      SER  57  -9.004   0.951  -0.956
  380    HB3  SER  57           HB1      SER  57 -10.281   1.483   0.138
  381    HG   SER  57           HG       SER  57  -7.704   0.541   0.713
  382    H    GLY  58           HN       GLY  58 -10.006  -1.775  -2.342
  383    HA2  GLY  58           HA2      GLY  58 -12.737  -0.960  -3.115
  384    HA3  GLY  58           HA1      GLY  58 -11.413  -1.161  -4.256
  385    H    ASP  59           HN       ASP  59 -11.809  -3.364  -1.612
  386    HA   ASP  59           HA       ASP  59 -12.219  -5.519  -3.521
  387    HB2  ASP  59           HB2      ASP  59 -10.484  -5.780  -1.781
  388    HB3  ASP  59           HB1      ASP  59 -11.724  -5.653  -0.538
  389    H    VAL  60           HN       VAL  60 -14.268  -5.745  -4.107
  390    HA   VAL  60           HA       VAL  60 -16.341  -5.792  -2.033
  391    HB   VAL  60           HB       VAL  60 -16.668  -5.938  -5.039
  392   HG11  VAL  60          HG11      VAL  60 -19.027  -5.481  -4.583
  393   HG12  VAL  60          HG12      VAL  60 -18.701  -5.514  -2.851
  394   HG13  VAL  60          HG13      VAL  60 -18.503  -6.979  -3.813
  395   HG21  VAL  60          HG21      VAL  60 -17.050  -3.597  -3.176
  396   HG22  VAL  60          HG22      VAL  60 -17.422  -3.615  -4.900
  397   HG23  VAL  60          HG23      VAL  60 -15.752  -3.780  -4.356
  398    H    THR  61           HN       THR  61 -16.349  -7.718  -1.070
  399    HA   THR  61           HA       THR  61 -15.538 -10.115  -2.422
  400    HB   THR  61           HB       THR  61 -16.852  -9.919   0.289
  401    HG1  THR  61           HG1      THR  61 -14.299  -9.138  -0.571
  402   HG21  THR  61          HG21      THR  61 -16.590 -12.181  -0.604
  403   HG22  THR  61          HG22      THR  61 -15.507 -11.919   0.763
  404   HG23  THR  61          HG23      THR  61 -14.873 -11.882  -0.882
  405    HA   PRO  62           HA       PRO  62 -19.799 -10.953  -3.657
  406    HB2  PRO  62           HB2      PRO  62 -19.225 -12.854  -5.475
  407    HB3  PRO  62           HB1      PRO  62 -18.997 -11.135  -5.818
  408    HG2  PRO  62           HG2      PRO  62 -16.980 -13.209  -5.091
  409    HG3  PRO  62           HG1      PRO  62 -16.847 -11.868  -6.242
  410    HD2  PRO  62           HD2      PRO  62 -15.823 -11.853  -3.673
  411    HD3  PRO  62           HD1      PRO  62 -16.193 -10.402  -4.623
  412    H    ALA  63           HN       ALA  63 -21.213 -12.511  -2.949
  413    HA   ALA  63           HA       ALA  63 -20.047 -14.641  -1.325
  414    HB1  ALA  63           HB1      ALA  63 -22.907 -13.699  -1.472
  415    HB2  ALA  63           HB2      ALA  63 -21.718 -13.180  -0.277
  416    HB3  ALA  63           HB3      ALA  63 -22.245 -14.862  -0.323
  417    HA   PRO  64           HA       PRO  64 -21.125 -17.401  -4.707
  418    HB2  PRO  64           HB2      PRO  64 -19.855 -19.481  -3.126
  419    HB3  PRO  64           HB1      PRO  64 -19.335 -18.791  -4.662
  420    HG2  PRO  64           HG2      PRO  64 -18.003 -18.401  -2.318
  421    HG3  PRO  64           HG1      PRO  64 -17.985 -17.242  -3.659
  422    HD2  PRO  64           HD2      PRO  64 -19.569 -17.184  -1.123
  423    HD3  PRO  64           HD1      PRO  64 -18.778 -15.853  -1.995
  424    H    VAL  65           HN       VAL  65 -23.128 -18.173  -4.798
  425    HA   VAL  65           HA       VAL  65 -24.353 -19.277  -2.385
  426    HB   VAL  65           HB       VAL  65 -26.482 -19.166  -3.654
  427   HG11  VAL  65          HG11      VAL  65 -25.801 -17.322  -2.213
  428   HG12  VAL  65          HG12      VAL  65 -26.687 -16.731  -3.619
  429   HG13  VAL  65          HG13      VAL  65 -24.930 -16.583  -3.556
  430   HG21  VAL  65          HG21      VAL  65 -25.606 -19.413  -5.910
  431   HG22  VAL  65          HG22      VAL  65 -24.783 -17.859  -5.776
  432   HG23  VAL  65          HG23      VAL  65 -26.544 -17.926  -5.774
  433    H    GLU  66           HN       GLU  66 -26.060 -21.081  -3.039
  434    HA   GLU  66           HA       GLU  66 -24.410 -23.237  -4.071
  435    HB2  GLU  66           HB2      GLU  66 -27.178 -23.371  -2.858
  436    HB3  GLU  66           HB1      GLU  66 -26.096 -24.724  -3.150
  437    HG2  GLU  66           HG2      GLU  66 -25.674 -22.481  -1.189
  438    HG3  GLU  66           HG1      GLU  66 -26.106 -24.147  -0.809
  Start of MODEL   33
    1    H1   GLY   1           HT1      GLY   1  14.574  -9.465 -13.278
    2    H2   GLY   1           HT2      GLY   1  13.594  -8.287 -12.566
    3    H3   GLY   1           HT3      GLY   1  15.229  -7.971 -12.845
    4    HA2  GLY   1           HA1      GLY   1  13.186  -8.430 -14.943
    5    HA3  GLY   1           HA2      GLY   1  13.829  -6.861 -14.479
    6    H    ALA   2           HN       ALA   2  14.221  -7.106 -16.968
    7    HA   ALA   2           HA       ALA   2  16.268  -8.791 -17.901
    8    HB1  ALA   2           HB1      ALA   2  16.335  -7.343 -19.860
    9    HB2  ALA   2           HB2      ALA   2  15.392  -6.126 -19.003
   10    HB3  ALA   2           HB3      ALA   2  14.671  -7.687 -19.387
   11    H    MET   3           HN       MET   3  16.373  -5.402 -16.814
   12    HA   MET   3           HA       MET   3  19.271  -5.757 -16.397
   13    HB2  MET   3           HB2      MET   3  17.825  -3.198 -17.116
   14    HB3  MET   3           HB1      MET   3  19.540  -3.336 -16.764
   15    HG2  MET   3           HG2      MET   3  19.805  -4.804 -18.709
   16    HG3  MET   3           HG1      MET   3  18.092  -4.608 -19.072
   17    HE1  MET   3           HE1      MET   3  21.226  -1.229 -19.293
   18    HE2  MET   3           HE2      MET   3  21.610  -2.915 -18.947
   19    HE3  MET   3           HE3      MET   3  20.713  -1.956 -17.771
   20    H    GLU   4           HN       GLU   4  19.682  -5.898 -14.289
   21    HA   GLU   4           HA       GLU   4  17.770  -4.836 -12.383
   22    HB2  GLU   4           HB2      GLU   4  18.804  -7.102 -12.115
   23    HB3  GLU   4           HB1      GLU   4  20.348  -6.308 -11.832
   24    HG2  GLU   4           HG2      GLU   4  19.438  -5.198  -9.871
   25    HG3  GLU   4           HG1      GLU   4  17.870  -5.949 -10.162
   26    H    GLY   5           HN       GLY   5  17.898  -2.753 -11.947
   27    HA2  GLY   5           HA2      GLY   5  20.208  -1.632 -10.725
   28    HA3  GLY   5           HA1      GLY   5  20.033  -1.046 -12.375
   29    H    GLN   6           HN       GLN   6  17.413  -0.725 -12.714
   30    HA   GLN   6           HA       GLN   6  16.826   1.669 -11.365
   31    HB2  GLN   6           HB2      GLN   6  15.105  -0.191 -13.002
   32    HB3  GLN   6           HB1      GLN   6  14.479   1.294 -12.309
   33    HG2  GLN   6           HG2      GLN   6  15.051   1.634 -14.619
   34    HG3  GLN   6           HG1      GLN   6  16.129   2.575 -13.592
   35   HE21  GLN   6          HE21      GLN   6  18.296   2.120 -13.576
   36   HE22  GLN   6          HE22      GLN   6  19.039   1.001 -14.669
   37    H    GLN   7           HN       GLN   7  15.391  -1.563 -11.046
   38    HA   GLN   7           HA       GLN   7  14.046  -0.760  -8.594
   39    HB2  GLN   7           HB2      GLN   7  14.057  -3.434 -10.005
   40    HB3  GLN   7           HB1      GLN   7  13.027  -2.988  -8.656
   41    HG2  GLN   7           HG2      GLN   7  12.014  -1.232 -10.088
   42    HG3  GLN   7           HG1      GLN   7  12.968  -1.846 -11.437
   43   HE21  GLN   7          HE21      GLN   7  12.694  -4.623 -10.468
   44   HE22  GLN   7          HE22      GLN   7  11.087  -5.099 -10.890
   45    H    ASN   8           HN       ASN   8  16.652  -0.520  -8.105
   46    HA   ASN   8           HA       ASN   8  17.871  -2.928  -7.169
   47    HB2  ASN   8           HB2      ASN   8  19.533  -1.447  -6.086
   48    HB3  ASN   8           HB1      ASN   8  19.288  -1.052  -7.783
   49   HD21  ASN   8          HD21      ASN   8  18.406   0.897  -8.342
   50   HD22  ASN   8          HD22      ASN   8  18.157   2.175  -7.202
   51    H    LEU   9           HN       LEU   9  15.741  -0.549  -5.806
   52    HA   LEU   9           HA       LEU   9  15.711  -2.084  -3.299
   53    HB2  LEU   9           HB2      LEU   9  14.730   0.708  -3.893
   54    HB3  LEU   9           HB1      LEU   9  14.462  -0.125  -2.373
   55    HG   LEU   9           HG       LEU   9  17.139   0.672  -3.517
   56   HD11  LEU   9          HD11      LEU   9  15.621   1.673  -1.115
   57   HD12  LEU   9          HD12      LEU   9  15.844   2.539  -2.633
   58   HD13  LEU   9          HD13      LEU   9  17.234   2.183  -1.611
   59   HD21  LEU   9          HD21      LEU   9  16.440  -0.770  -0.963
   60   HD22  LEU   9          HD22      LEU   9  18.026  -0.101  -1.341
   61   HD23  LEU   9          HD23      LEU   9  17.365  -1.410  -2.321
   62    H    ALA  10           HN       ALA  10  14.317  -3.669  -3.519
   63    HA   ALA  10           HA       ALA  10  12.088  -3.730  -5.219
   64    HB1  ALA  10           HB1      ALA  10  12.681  -5.383  -2.763
   65    HB2  ALA  10           HB2      ALA  10  13.198  -5.742  -4.411
   66    HB3  ALA  10           HB3      ALA  10  11.484  -5.774  -3.998
   67    HA   PRO  11           HA       PRO  11   8.987  -1.549  -2.963
   68    HB2  PRO  11           HB2      PRO  11   6.750  -2.793  -3.842
   69    HB3  PRO  11           HB1      PRO  11   7.711  -1.720  -4.866
   70    HG2  PRO  11           HG2      PRO  11   7.715  -4.710  -4.729
   71    HG3  PRO  11           HG1      PRO  11   7.723  -3.659  -6.156
   72    HD2  PRO  11           HD2      PRO  11   9.963  -4.837  -5.204
   73    HD3  PRO  11           HD1      PRO  11   9.985  -3.248  -5.993
   74    H    GLY  12           HN       GLY  12  10.239  -3.583  -1.378
   75    HA2  GLY  12           HA2      GLY  12   8.153  -5.043  -0.011
   76    HA3  GLY  12           HA1      GLY  12   9.828  -4.879   0.506
   77    H    ALA  13           HN       ALA  13  10.280  -2.336   0.873
   78    HA   ALA  13           HA       ALA  13   7.996  -1.144   2.284
   79    HB1  ALA  13           HB1      ALA  13   9.497  -2.096   3.973
   80    HB2  ALA  13           HB2      ALA  13   9.479  -0.335   4.051
   81    HB3  ALA  13           HB3      ALA  13  10.839  -1.169   3.301
   82    H    ARG  14           HN       ARG  14   7.842  -0.108   0.171
   83    HA   ARG  14           HA       ARG  14   9.346   2.350   0.035
   84    HB2  ARG  14           HB2      ARG  14  10.783   0.661  -1.116
   85    HB3  ARG  14           HB1      ARG  14   9.473   0.377  -2.250
   86    HG2  ARG  14           HG2      ARG  14   9.627   2.679  -3.022
   87    HG3  ARG  14           HG1      ARG  14  10.920   2.988  -1.860
   88    HD2  ARG  14           HD2      ARG  14  12.280   1.248  -2.950
   89    HD3  ARG  14           HD1      ARG  14  10.998   1.009  -4.135
   90    HE   ARG  14           HE       ARG  14  12.038   3.712  -3.914
   91   HH11  ARG  14          HH11      ARG  14  12.213   0.630  -5.563
   92   HH12  ARG  14          HH12      ARG  14  12.924   1.298  -6.997
   93   HH21  ARG  14          HH21      ARG  14  12.977   4.597  -5.793
   94   HH22  ARG  14          HH22      ARG  14  13.353   3.557  -7.134
   95    H    CYS  15           HN       CYS  15   7.942   3.890  -0.517
   96    HA   CYS  15           HA       CYS  15   5.296   3.282  -1.375
   97    HB2  CYS  15           HB2      CYS  15   5.733   5.217   0.032
   98    HB3  CYS  15           HB1      CYS  15   6.799   5.903  -1.183
   99    H    GLY  16           HN       GLY  16   4.889   2.571  -3.358
  100    HA2  GLY  16           HA2      GLY  16   6.620   2.875  -5.564
  101    HA3  GLY  16           HA1      GLY  16   4.959   2.305  -5.635
  102    H    VAL  17           HN       VAL  17   4.220   4.973  -4.295
  103    HA   VAL  17           HA       VAL  17   3.744   6.387  -6.754
  104    HB   VAL  17           HB       VAL  17   3.129   7.247  -3.921
  105   HG11  VAL  17          HG11      VAL  17   1.480   8.737  -4.979
  106   HG12  VAL  17          HG12      VAL  17   2.078   8.250  -6.564
  107   HG13  VAL  17          HG13      VAL  17   3.134   9.124  -5.454
  108   HG21  VAL  17          HG21      VAL  17   2.027   5.149  -4.451
  109   HG22  VAL  17          HG22      VAL  17   1.394   5.836  -5.946
  110   HG23  VAL  17          HG23      VAL  17   0.849   6.460  -4.389
  111    H    CYS  18           HN       CYS  18   5.871   6.774  -3.968
  112    HA   CYS  18           HA       CYS  18   6.799   9.347  -5.015
  113    HB2  CYS  18           HB2      CYS  18   7.307   7.977  -2.376
  114    HB3  CYS  18           HB1      CYS  18   8.033   9.508  -2.848
  115    H    GLY  19           HN       GLY  19   7.902   6.073  -4.444
  116    HA2  GLY  19           HA2      GLY  19   9.753   5.089  -5.528
  117    HA3  GLY  19           HA1      GLY  19  10.386   6.696  -5.861
  118    H    ASP  20           HN       ASP  20   9.407   6.813  -2.763
  119    HA   ASP  20           HA       ASP  20  12.017   5.933  -1.731
  120    HB2  ASP  20           HB2      ASP  20  10.382   8.365  -1.026
  121    HB3  ASP  20           HB1      ASP  20  11.625   7.737   0.053
  122    H    GLY  21           HN       GLY  21  12.057   5.088   0.416
  123    HA2  GLY  21           HA2      GLY  21   9.441   3.912   1.126
  124    HA3  GLY  21           HA1      GLY  21  10.968   3.056   1.270
  125    H    THR  22           HN       THR  22  10.793   6.390   2.214
  126    HA   THR  22           HA       THR  22  11.442   5.685   4.923
  127    HB   THR  22           HB       THR  22  10.839   8.418   3.776
  128    HG1  THR  22           HG1      THR  22  12.971   6.746   3.460
  129   HG21  THR  22          HG21      THR  22  10.716   8.320   6.223
  130   HG22  THR  22          HG22      THR  22  12.123   9.242   5.695
  131   HG23  THR  22          HG23      THR  22  12.319   7.589   6.276
  132    H    ASP  23           HN       ASP  23   9.974   5.106   6.347
  133    HA   ASP  23           HA       ASP  23   8.064   4.906   7.541
  134    HB2  ASP  23           HB2      ASP  23   8.651   7.207   8.168
  135    HB3  ASP  23           HB1      ASP  23   7.726   7.820   6.801
  136    H    VAL  24           HN       VAL  24   7.453   3.538   5.581
  137    HA   VAL  24           HA       VAL  24   5.120   4.631   4.187
  138    HB   VAL  24           HB       VAL  24   5.149   2.563   2.857
  139   HG11  VAL  24          HG11      VAL  24   6.416   4.483   2.079
  140   HG12  VAL  24          HG12      VAL  24   7.225   2.978   1.638
  141   HG13  VAL  24          HG13      VAL  24   7.826   3.940   2.989
  142   HG21  VAL  24          HG21      VAL  24   7.606   1.849   4.453
  143   HG22  VAL  24          HG22      VAL  24   6.993   0.974   3.053
  144   HG23  VAL  24          HG23      VAL  24   6.045   1.036   4.537
  145    H    LEU  25           HN       LEU  25   3.093   3.574   4.237
  146    HA   LEU  25           HA       LEU  25   2.544   2.140   6.704
  147    HB2  LEU  25           HB2      LEU  25   0.810   3.328   4.551
  148    HB3  LEU  25           HB1      LEU  25   0.146   2.256   5.773
  149    HG   LEU  25           HG       LEU  25   1.471   4.928   6.258
  150   HD11  LEU  25          HD11      LEU  25  -0.779   5.068   5.318
  151   HD12  LEU  25          HD12      LEU  25  -0.745   5.612   6.996
  152   HD13  LEU  25          HD13      LEU  25  -1.380   4.015   6.598
  153   HD21  LEU  25          HD21      LEU  25   0.318   2.928   8.199
  154   HD22  LEU  25          HD22      LEU  25   0.765   4.585   8.603
  155   HD23  LEU  25          HD23      LEU  25   2.002   3.442   8.084
  156    H    ARG  26           HN       ARG  26   1.200   0.188   6.628
  157    HA   ARG  26           HA       ARG  26   1.924  -1.513   4.335
  158    HB2  ARG  26           HB2      ARG  26   1.926  -2.239   7.271
  159    HB3  ARG  26           HB1      ARG  26   2.215  -3.367   5.955
  160    HG2  ARG  26           HG2      ARG  26   3.919  -0.948   6.495
  161    HG3  ARG  26           HG1      ARG  26   4.269  -2.566   7.107
  162    HD2  ARG  26           HD2      ARG  26   3.971  -1.846   4.195
  163    HD3  ARG  26           HD1      ARG  26   5.508  -2.014   5.039
  164    HE   ARG  26           HE       ARG  26   4.315  -4.387   5.511
  165   HH11  ARG  26          HH11      ARG  26   4.786  -2.563   2.576
  166   HH12  ARG  26          HH12      ARG  26   4.995  -3.961   1.576
  167   HH21  ARG  26          HH21      ARG  26   4.541  -6.247   4.194
  168   HH22  ARG  26          HH22      ARG  26   4.858  -6.065   2.498
  169    H    CYS  27           HN       CYS  27   0.415  -2.995   3.664
  170    HA   CYS  27           HA       CYS  27  -2.303  -2.530   4.534
  171    HB2  CYS  27           HB2      CYS  27  -1.582  -2.905   2.105
  172    HB3  CYS  27           HB1      CYS  27  -1.390  -4.612   2.523
  173    H    THR  28           HN       THR  28  -3.501  -3.858   5.814
  174    HA   THR  28           HA       THR  28  -2.064  -5.936   7.228
  175    HB   THR  28           HB       THR  28  -4.135  -6.088   8.602
  176    HG1  THR  28           HG1      THR  28  -5.901  -5.237   7.838
  177   HG21  THR  28          HG21      THR  28  -3.034  -3.302   8.221
  178   HG22  THR  28          HG22      THR  28  -2.342  -4.560   9.245
  179   HG23  THR  28          HG23      THR  28  -3.918  -3.872   9.636
  180    H    HIS  29           HN       HIS  29  -4.078  -5.790   4.517
  181    HA   HIS  29           HA       HIS  29  -4.972  -8.560   4.892
  182    HB2  HIS  29           HB2      HIS  29  -5.949  -6.389   3.045
  183    HB3  HIS  29           HB1      HIS  29  -6.449  -8.069   2.887
  184    HD1  HIS  29           HD1      HIS  29  -8.139  -8.968   4.588
  185    HD2  HIS  29           HD2      HIS  29  -6.972  -5.045   5.316
  186    HE1  HIS  29           HE1      HIS  29  -9.725  -8.102   6.329
  187    HE2  HIS  29           HE2      HIS  29  -8.923  -5.774   6.849
  188    H    CYS  30           HN       CYS  30  -2.789  -6.627   3.073
  189    HA   CYS  30           HA       CYS  30  -1.788  -9.013   1.784
  190    HB2  CYS  30           HB2      CYS  30  -2.014  -8.346  -0.448
  191    HB3  CYS  30           HB1      CYS  30  -3.561  -7.881   0.251
  192    H    ALA  31           HN       ALA  31   0.009  -7.781   0.060
  193    HA   ALA  31           HA       ALA  31   1.720  -6.357   1.956
  194    HB1  ALA  31           HB1      ALA  31   2.487  -7.848  -0.549
  195    HB2  ALA  31           HB2      ALA  31   2.651  -8.449   1.101
  196    HB3  ALA  31           HB3      ALA  31   3.601  -7.061   0.569
  197    H    ALA  32           HN       ALA  32   1.763  -4.233   1.693
  198    HA   ALA  32           HA       ALA  32   2.175  -3.090  -0.931
  199    HB1  ALA  32           HB1      ALA  32  -0.265  -2.290   0.658
  200    HB2  ALA  32           HB2      ALA  32  -0.283  -3.243  -0.825
  201    HB3  ALA  32           HB3      ALA  32   0.278  -1.571  -0.857
  202    H    ALA  33           HN       ALA  33   3.386  -1.292  -0.799
  203    HA   ALA  33           HA       ALA  33   3.759  -0.095   1.867
  204    HB1  ALA  33           HB1      ALA  33   6.094   0.328   1.264
  205    HB2  ALA  33           HB2      ALA  33   5.842  -0.490  -0.278
  206    HB3  ALA  33           HB3      ALA  33   5.718  -1.395   1.231
  207    H    PHE  34           HN       PHE  34   3.012   1.899   1.922
  208    HA   PHE  34           HA       PHE  34   3.593   3.803  -0.154
  209    HB2  PHE  34           HB2      PHE  34   1.237   4.326  -0.668
  210    HB3  PHE  34           HB1      PHE  34   1.652   2.687  -1.148
  211    HD1  PHE  34           HD2      PHE  34   0.774   0.764   0.100
  212    HD2  PHE  34           HD1      PHE  34  -0.371   4.751   1.055
  213    HE1  PHE  34           HE2      PHE  34  -1.128  -0.098   1.399
  214    HE2  PHE  34           HE1      PHE  34  -2.274   3.895   2.357
  215    HZ   PHE  34           HZ       PHE  34  -2.664   1.462   2.513
  216    H    HIS  35           HN       HIS  35   3.229   5.945   0.533
  217    HA   HIS  35           HA       HIS  35   2.723   6.302   3.360
  218    HB2  HIS  35           HB2      HIS  35   2.958   8.502   1.295
  219    HB3  HIS  35           HB1      HIS  35   3.194   8.631   3.030
  220    HD2  HIS  35           HD2      HIS  35   5.495   6.613   3.668
  221    HE1  HIS  35           HE1      HIS  35   7.512   8.290   0.345
  222    HE2  HIS  35           HE2      HIS  35   7.794   7.168   2.609
  223    H    TRP  36           HN       TRP  36   0.823   7.066   4.238
  224    HA   TRP  36           HA       TRP  36  -1.576   6.404   3.147
  225    HB2  TRP  36           HB2      TRP  36  -1.196   7.060   5.513
  226    HB3  TRP  36           HB1      TRP  36  -1.150   8.746   5.012
  227    HD1  TRP  36           HD1      TRP  36  -3.357   9.944   5.417
  228    HE1  TRP  36           HE1      TRP  36  -5.839   9.281   5.521
  229    HE3  TRP  36           HE3      TRP  36  -2.924   4.977   4.292
  230    HZ2  TRP  36           HZ2      TRP  36  -7.409   6.976   5.148
  231    HZ3  TRP  36           HZ3      TRP  36  -4.970   3.616   4.179
  232    HH2  TRP  36           HH2      TRP  36  -7.163   4.597   4.600
  233    H    ARG  37           HN       ARG  37  -0.165   9.652   3.039
  234    HA   ARG  37           HA       ARG  37  -2.266  11.015   1.837
  235    HB2  ARG  37           HB2      ARG  37   0.696  11.536   1.567
  236    HB3  ARG  37           HB1      ARG  37  -0.581  12.698   1.237
  237    HG2  ARG  37           HG2      ARG  37  -1.151  12.884   3.500
  238    HG3  ARG  37           HG1      ARG  37  -0.275  11.412   3.927
  239    HD2  ARG  37           HD2      ARG  37   0.969  13.989   2.971
  240    HD3  ARG  37           HD1      ARG  37   0.927  13.425   4.640
  241    HE   ARG  37           HE       ARG  37   2.583  12.388   2.474
  242   HH11  ARG  37          HH11      ARG  37   1.456  12.027   5.771
  243   HH12  ARG  37          HH12      ARG  37   2.805  11.053   6.265
  244   HH21  ARG  37          HH21      ARG  37   4.356  11.084   3.121
  245   HH22  ARG  37          HH22      ARG  37   4.443  10.500   4.752
  246    H    CYS  38           HN       CYS  38   0.248   9.084   0.381
  247    HA   CYS  38           HA       CYS  38  -0.001  10.131  -2.251
  248    HB2  CYS  38           HB2      CYS  38   1.173   7.451  -1.544
  249    HB3  CYS  38           HB1      CYS  38   1.696   8.599  -2.784
  250    H    HIS  39           HN       HIS  39  -1.668   7.730  -0.452
  251    HA   HIS  39           HA       HIS  39  -3.022   6.751  -2.872
  252    HB2  HIS  39           HB2      HIS  39  -2.450   5.598  -0.215
  253    HB3  HIS  39           HB1      HIS  39  -4.052   5.249  -0.850
  254    HD1  HIS  39           HD1      HIS  39  -4.186   3.252  -2.280
  255    HD2  HIS  39           HD2      HIS  39  -0.346   4.839  -2.207
  256    HE1  HIS  39           HE1      HIS  39  -2.745   1.608  -3.534
  257    HE2  HIS  39           HE2      HIS  39  -0.421   2.558  -3.425
  258    H    PHE  40           HN       PHE  40  -3.658   7.993   0.384
  259    HA   PHE  40           HA       PHE  40  -6.362   8.760  -0.493
  260    HB2  PHE  40           HB2      PHE  40  -5.473   7.810   2.239
  261    HB3  PHE  40           HB1      PHE  40  -7.086   8.387   1.848
  262    HD1  PHE  40           HD2      PHE  40  -8.596   7.044   0.487
  263    HD2  PHE  40           HD1      PHE  40  -4.730   5.626   1.560
  264    HE1  PHE  40           HE2      PHE  40  -9.257   4.764  -0.159
  265    HE2  PHE  40           HE1      PHE  40  -5.383   3.346   0.912
  266    HZ   PHE  40           HZ       PHE  40  -7.657   2.906   0.077
  267    HA   PRO  41           HA       PRO  41  -4.534  12.743   0.494
  268    HB2  PRO  41           HB2      PRO  41  -7.025  13.906  -0.455
  269    HB3  PRO  41           HB1      PRO  41  -5.411  14.013  -1.155
  270    HG2  PRO  41           HG2      PRO  41  -7.433  12.617  -2.310
  271    HG3  PRO  41           HG1      PRO  41  -5.724  12.182  -2.494
  272    HD2  PRO  41           HD2      PRO  41  -7.807  10.977  -0.717
  273    HD3  PRO  41           HD1      PRO  41  -6.524  10.185  -1.655
  274    H    ALA  42           HN       ALA  42  -5.738  14.923   1.360
  275    HA   ALA  42           HA       ALA  42  -6.211  14.439   4.060
  276    HB1  ALA  42           HB1      ALA  42  -5.435  16.581   3.188
  277    HB2  ALA  42           HB2      ALA  42  -6.853  16.782   4.215
  278    HB3  ALA  42           HB3      ALA  42  -7.017  16.862   2.462
  279    H    GLY  43           HN       GLY  43  -8.447  14.519   1.392
  280    HA2  GLY  43           HA2      GLY  43 -10.834  14.893   2.870
  281    HA3  GLY  43           HA1      GLY  43 -10.716  14.209   1.258
  282    H    THR  44           HN       THR  44  -8.719  12.274   2.785
  283    HA   THR  44           HA       THR  44 -10.818  10.549   3.918
  284    HB   THR  44           HB       THR  44  -8.400   9.621   2.362
  285    HG1  THR  44           HG1      THR  44 -10.351  10.689   1.264
  286   HG21  THR  44          HG21      THR  44 -10.781   8.092   3.425
  287   HG22  THR  44          HG22      THR  44  -9.146   8.033   4.082
  288   HG23  THR  44          HG23      THR  44  -9.467   7.418   2.462
  289    H    SER  45           HN       SER  45 -10.494  10.276   6.018
  290    HA   SER  45           HA       SER  45  -7.881  10.792   7.174
  291    HB2  SER  45           HB2      SER  45 -10.529  10.144   8.496
  292    HB3  SER  45           HB1      SER  45  -9.068  10.692   9.320
  293    HG   SER  45           HG       SER  45  -9.280  12.546   7.715
  294    H    ARG  46           HN       ARG  46  -6.918   9.309   8.708
  295    HA   ARG  46           HA       ARG  46  -6.706   6.720   7.551
  296    HB2  ARG  46           HB2      ARG  46  -5.586   7.572  10.217
  297    HB3  ARG  46           HB1      ARG  46  -4.995   6.312   9.149
  298    HG2  ARG  46           HG2      ARG  46  -4.314   7.978   7.520
  299    HG3  ARG  46           HG1      ARG  46  -4.922   9.259   8.572
  300    HD2  ARG  46           HD2      ARG  46  -3.353   8.460  10.332
  301    HD3  ARG  46           HD1      ARG  46  -2.682   7.332   9.157
  302    HE   ARG  46           HE       ARG  46  -2.559   9.857   8.009
  303   HH11  ARG  46          HH11      ARG  46  -1.245   8.195  10.787
  304   HH12  ARG  46          HH12      ARG  46   0.205   9.146  10.840
  305   HH21  ARG  46          HH21      ARG  46  -0.642  11.123   8.073
  306   HH22  ARG  46          HH22      ARG  46   0.541  10.822   9.301
  307    HA   PRO  47           HA       PRO  47  -9.882   4.742   9.974
  308    HB2  PRO  47           HB2      PRO  47  -9.314   2.190   9.261
  309    HB3  PRO  47           HB1      PRO  47 -10.134   3.321   8.178
  310    HG2  PRO  47           HG2      PRO  47  -7.256   2.507   8.241
  311    HG3  PRO  47           HG1      PRO  47  -8.327   2.737   6.847
  312    HD2  PRO  47           HD2      PRO  47  -6.515   4.597   7.637
  313    HD3  PRO  47           HD1      PRO  47  -8.047   5.014   6.841
  314    H    GLY  48           HN       GLY  48 -10.015   3.714  11.943
  315    HA2  GLY  48           HA2      GLY  48  -7.526   3.327  13.387
  316    HA3  GLY  48           HA1      GLY  48  -9.149   3.235  14.058
  317    H    THR  49           HN       THR  49  -9.291   1.462  11.363
  318    HA   THR  49           HA       THR  49  -8.938  -1.044  12.802
  319    HB   THR  49           HB       THR  49 -10.060  -1.972  10.694
  320    HG1  THR  49           HG1      THR  49 -10.609  -0.581   9.172
  321   HG21  THR  49          HG21      THR  49 -11.578   0.064  12.329
  322   HG22  THR  49          HG22      THR  49 -11.246  -1.595  12.819
  323   HG23  THR  49          HG23      THR  49 -12.279  -1.280  11.425
  324    H    GLY  50           HN       GLY  50  -8.431  -2.827  10.808
  325    HA2  GLY  50           HA2      GLY  50  -5.682  -2.644  10.321
  326    HA3  GLY  50           HA1      GLY  50  -6.790  -3.720   9.479
  327    H    LEU  51           HN       LEU  51  -4.523  -1.592   8.868
  328    HA   LEU  51           HA       LEU  51  -5.711   0.318   7.159
  329    HB2  LEU  51           HB2      LEU  51  -3.323   0.129   8.300
  330    HB3  LEU  51           HB1      LEU  51  -2.899  -0.606   6.770
  331    HG   LEU  51           HG       LEU  51  -2.307   1.757   6.817
  332   HD11  LEU  51          HD11      LEU  51  -3.364   2.471   4.761
  333   HD12  LEU  51          HD12      LEU  51  -4.615   1.244   4.955
  334   HD13  LEU  51          HD13      LEU  51  -2.940   0.761   4.677
  335   HD21  LEU  51          HD21      LEU  51  -5.254   2.272   7.177
  336   HD22  LEU  51          HD22      LEU  51  -4.005   3.491   6.929
  337   HD23  LEU  51          HD23      LEU  51  -4.006   2.516   8.399
  338    H    ARG  52           HN       ARG  52  -6.557   0.026   5.223
  339    HA   ARG  52           HA       ARG  52  -5.811  -2.364   3.681
  340    HB2  ARG  52           HB2      ARG  52  -8.263  -0.610   3.489
  341    HB3  ARG  52           HB1      ARG  52  -7.923  -1.981   2.447
  342    HG2  ARG  52           HG2      ARG  52  -8.018  -3.473   4.381
  343    HG3  ARG  52           HG1      ARG  52  -8.385  -2.090   5.420
  344    HD2  ARG  52           HD2      ARG  52 -10.404  -1.653   4.126
  345    HD3  ARG  52           HD1      ARG  52 -10.032  -3.015   3.073
  346    HE   ARG  52           HE       ARG  52 -10.379  -3.532   5.931
  347   HH11  ARG  52          HH11      ARG  52 -11.570  -3.778   2.650
  348   HH12  ARG  52          HH12      ARG  52 -12.815  -4.916   3.045
  349   HH21  ARG  52          HH21      ARG  52 -12.034  -5.042   6.463
  350   HH22  ARG  52          HH22      ARG  52 -13.077  -5.636   5.210
  351    H    CYS  53           HN       CYS  53  -4.835  -2.141   1.774
  352    HA   CYS  53           HA       CYS  53  -4.186   0.431   0.711
  353    HB2  CYS  53           HB2      CYS  53  -3.025  -0.753  -1.004
  354    HB3  CYS  53           HB1      CYS  53  -2.791  -1.686   0.471
  355    H    ARG  54           HN       ARG  54  -4.685   0.715  -1.789
  356    HA   ARG  54           HA       ARG  54  -7.370   1.376  -1.979
  357    HB2  ARG  54           HB2      ARG  54  -5.638   2.390  -3.373
  358    HB3  ARG  54           HB1      ARG  54  -5.394   0.868  -4.209
  359    HG2  ARG  54           HG2      ARG  54  -7.623   0.985  -5.142
  360    HG3  ARG  54           HG1      ARG  54  -7.937   2.474  -4.249
  361    HD2  ARG  54           HD2      ARG  54  -7.344   2.898  -6.598
  362    HD3  ARG  54           HD1      ARG  54  -6.194   3.615  -5.474
  363    HE   ARG  54           HE       ARG  54  -5.424   1.001  -6.393
  364   HH11  ARG  54          HH11      ARG  54  -5.350   4.424  -7.118
  365   HH12  ARG  54          HH12      ARG  54  -3.936   4.315  -8.117
  366   HH21  ARG  54          HH21      ARG  54  -3.568   0.849  -7.717
  367   HH22  ARG  54          HH22      ARG  54  -2.922   2.279  -8.456
  368    H    SER  55           HN       SER  55  -5.691  -1.505  -3.128
  369    HA   SER  55           HA       SER  55  -7.878  -2.538  -4.600
  370    HB2  SER  55           HB2      SER  55  -5.552  -3.206  -5.028
  371    HB3  SER  55           HB1      SER  55  -5.486  -3.983  -3.450
  372    HG   SER  55           HG       SER  55  -7.584  -4.748  -5.102
  373    H    CYS  56           HN       CYS  56  -6.686  -3.191  -1.305
  374    HA   CYS  56           HA       CYS  56  -8.633  -5.229  -0.838
  375    HB2  CYS  56           HB2      CYS  56  -6.849  -3.735   1.083
  376    HB3  CYS  56           HB1      CYS  56  -7.883  -5.086   1.536
  377    H    SER  57           HN       SER  57  -8.731  -1.790  -0.654
  378    HA   SER  57           HA       SER  57 -11.088  -1.802   1.038
  379    HB2  SER  57           HB2      SER  57 -11.099   0.686   0.448
  380    HB3  SER  57           HB1      SER  57  -9.710   0.098   1.361
  381    HG   SER  57           HG       SER  57  -9.765   0.401  -1.463
  382    H    GLY  58           HN       GLY  58 -10.431  -2.431  -2.161
  383    HA2  GLY  58           HA2      GLY  58 -13.236  -1.885  -2.892
  384    HA3  GLY  58           HA1      GLY  58 -11.924  -1.524  -4.005
  385    H    ASP  59           HN       ASP  59 -11.082  -3.123  -5.247
  386    HA   ASP  59           HA       ASP  59 -12.022  -5.863  -4.725
  387    HB2  ASP  59           HB2      ASP  59 -12.429  -6.275  -7.012
  388    HB3  ASP  59           HB1      ASP  59 -13.140  -4.695  -6.718
  389    H    VAL  60           HN       VAL  60 -10.544  -7.504  -5.074
  390    HA   VAL  60           HA       VAL  60  -7.769  -6.580  -5.406
  391    HB   VAL  60           HB       VAL  60  -8.779  -9.062  -4.001
  392   HG11  VAL  60          HG11      VAL  60  -5.993  -7.924  -4.173
  393   HG12  VAL  60          HG12      VAL  60  -6.565  -9.389  -4.971
  394   HG13  VAL  60          HG13      VAL  60  -6.481  -9.319  -3.211
  395   HG21  VAL  60          HG21      VAL  60  -8.057  -7.932  -1.940
  396   HG22  VAL  60          HG22      VAL  60  -9.349  -7.056  -2.761
  397   HG23  VAL  60          HG23      VAL  60  -7.684  -6.486  -2.879
  398    H    THR  61           HN       THR  61  -6.517  -7.423  -6.975
  399    HA   THR  61           HA       THR  61  -7.635  -9.626  -8.571
  400    HB   THR  61           HB       THR  61  -5.952  -8.601 -10.340
  401    HG1  THR  61           HG1      THR  61  -6.784  -6.226  -9.041
  402   HG21  THR  61          HG21      THR  61  -7.806  -7.276 -11.264
  403   HG22  THR  61          HG22      THR  61  -8.657  -7.409  -9.726
  404   HG23  THR  61          HG23      THR  61  -8.349  -8.852 -10.691
  405    HA   PRO  62           HA       PRO  62  -4.138 -11.859  -6.960
  406    HB2  PRO  62           HB2      PRO  62  -4.411 -14.039  -8.591
  407    HB3  PRO  62           HB1      PRO  62  -5.377 -13.776  -7.136
  408    HG2  PRO  62           HG2      PRO  62  -6.074 -13.240  -9.995
  409    HG3  PRO  62           HG1      PRO  62  -7.073 -13.948  -8.713
  410    HD2  PRO  62           HD2      PRO  62  -7.338 -11.381  -9.464
  411    HD3  PRO  62           HD1      PRO  62  -7.551 -11.889  -7.775
  412    H    ALA  63           HN       ALA  63  -2.035 -12.054  -7.515
  413    HA   ALA  63           HA       ALA  63  -1.070 -10.879  -9.906
  414    HB1  ALA  63           HB1      ALA  63   0.373 -12.610  -7.898
  415    HB2  ALA  63           HB2      ALA  63   0.214 -10.855  -7.828
  416    HB3  ALA  63           HB3      ALA  63   1.134 -11.606  -9.130
  417    HA   PRO  64           HA       PRO  64  -1.555 -14.406 -12.529
  418    HB2  PRO  64           HB2      PRO  64  -0.187 -13.533 -14.680
  419    HB3  PRO  64           HB1      PRO  64  -1.747 -12.845 -14.213
  420    HG2  PRO  64           HG2      PRO  64   1.010 -11.792 -13.714
  421    HG3  PRO  64           HG1      PRO  64  -0.445 -10.920 -14.232
  422    HD2  PRO  64           HD2      PRO  64   0.447 -10.944 -11.656
  423    HD3  PRO  64           HD1      PRO  64  -1.263 -10.763 -12.095
  424    H    VAL  65           HN       VAL  65   0.163 -15.150 -10.656
  425    HA   VAL  65           HA       VAL  65   2.758 -15.745 -11.836
  426    HB   VAL  65           HB       VAL  65   1.729 -16.613  -9.130
  427   HG11  VAL  65          HG11      VAL  65   3.680 -17.835  -9.883
  428   HG12  VAL  65          HG12      VAL  65   4.126 -16.738  -8.576
  429   HG13  VAL  65          HG13      VAL  65   4.517 -16.325 -10.245
  430   HG21  VAL  65          HG21      VAL  65   3.259 -14.112  -9.836
  431   HG22  VAL  65          HG22      VAL  65   2.883 -14.663  -8.204
  432   HG23  VAL  65          HG23      VAL  65   1.583 -14.185  -9.296
  433    H    GLU  66           HN       GLU  66   1.881 -17.061 -13.524
  434    HA   GLU  66           HA       GLU  66   1.158 -19.768 -12.621
  435    HB2  GLU  66           HB2      GLU  66   0.393 -18.358 -15.183
  436    HB3  GLU  66           HB1      GLU  66   0.037 -20.037 -14.815
  437    HG2  GLU  66           HG2      GLU  66  -1.341 -19.330 -12.929
  438    HG3  GLU  66           HG1      GLU  66  -0.989 -17.644 -13.311
  Start of MODEL   34
    1    H1   GLY   1           HT1      GLY   1  23.085  14.421  -3.410
    2    H2   GLY   1           HT2      GLY   1  22.914  13.488  -4.809
    3    H3   GLY   1           HT3      GLY   1  23.764  12.874  -3.485
    4    HA2  GLY   1           HA1      GLY   1  21.743  12.862  -2.158
    5    HA3  GLY   1           HA2      GLY   1  20.865  13.493  -3.543
    6    H    ALA   2           HN       ALA   2  20.332  11.030  -2.146
    7    HA   ALA   2           HA       ALA   2  20.760   9.165  -4.377
    8    HB1  ALA   2           HB1      ALA   2  22.319   8.642  -2.527
    9    HB2  ALA   2           HB2      ALA   2  21.173   7.344  -2.862
   10    HB3  ALA   2           HB3      ALA   2  20.929   8.397  -1.469
   11    H    MET   3           HN       MET   3  18.711   9.376  -5.156
   12    HA   MET   3           HA       MET   3  16.427   9.070  -3.410
   13    HB2  MET   3           HB2      MET   3  16.575   9.171  -6.433
   14    HB3  MET   3           HB1      MET   3  15.102   9.238  -5.478
   15    HG2  MET   3           HG2      MET   3  15.821  11.343  -4.492
   16    HG3  MET   3           HG1      MET   3  17.319  11.270  -5.418
   17    HE1  MET   3           HE1      MET   3  15.515  13.817  -5.461
   18    HE2  MET   3           HE2      MET   3  15.424  14.191  -7.181
   19    HE3  MET   3           HE3      MET   3  16.952  13.670  -6.471
   20    H    GLU   4           HN       GLU   4  17.504   7.338  -6.327
   21    HA   GLU   4           HA       GLU   4  17.408   4.795  -5.056
   22    HB2  GLU   4           HB2      GLU   4  15.013   5.096  -5.290
   23    HB3  GLU   4           HB1      GLU   4  15.198   5.492  -6.992
   24    HG2  GLU   4           HG2      GLU   4  15.751   3.285  -7.557
   25    HG3  GLU   4           HG1      GLU   4  16.037   2.842  -5.875
   26    H    GLY   5           HN       GLY   5  16.816   6.098  -8.319
   27    HA2  GLY   5           HA2      GLY   5  19.156   5.974  -9.540
   28    HA3  GLY   5           HA1      GLY   5  18.816   4.257  -9.379
   29    H    GLN   6           HN       GLN   6  18.728   3.978 -11.620
   30    HA   GLN   6           HA       GLN   6  16.729   5.442 -13.139
   31    HB2  GLN   6           HB2      GLN   6  18.710   3.297 -13.917
   32    HB3  GLN   6           HB1      GLN   6  17.579   4.038 -15.042
   33    HG2  GLN   6           HG2      GLN   6  18.599   6.183 -14.750
   34    HG3  GLN   6           HG1      GLN   6  19.629   5.568 -13.460
   35   HE21  GLN   6          HE21      GLN   6  19.035   5.593 -16.886
   36   HE22  GLN   6          HE22      GLN   6  20.577   4.969 -17.356
   37    H    GLN   7           HN       GLN   7  16.873   2.680 -11.251
   38    HA   GLN   7           HA       GLN   7  14.983   1.051 -12.624
   39    HB2  GLN   7           HB2      GLN   7  16.556   0.149 -10.952
   40    HB3  GLN   7           HB1      GLN   7  15.756   1.086  -9.699
   41    HG2  GLN   7           HG2      GLN   7  15.019  -1.188  -9.583
   42    HG3  GLN   7           HG1      GLN   7  13.681  -0.174 -10.123
   43   HE21  GLN   7          HE21      GLN   7  15.948  -2.633 -10.991
   44   HE22  GLN   7          HE22      GLN   7  15.194  -3.099 -12.477
   45    H    ASN   8           HN       ASN   8  13.114   2.110 -13.121
   46    HA   ASN   8           HA       ASN   8  11.789   3.769 -11.160
   47    HB2  ASN   8           HB2      ASN   8  11.089   3.006 -13.994
   48    HB3  ASN   8           HB1      ASN   8  10.030   3.981 -12.984
   49   HD21  ASN   8          HD21      ASN   8  11.332   4.704 -15.464
   50   HD22  ASN   8          HD22      ASN   8  12.333   6.069 -15.118
   51    H    LEU   9           HN       LEU   9  11.948   0.538 -11.598
   52    HA   LEU   9           HA       LEU   9   9.189  -0.105 -11.020
   53    HB2  LEU   9           HB2      LEU   9  10.575  -1.621 -12.367
   54    HB3  LEU   9           HB1      LEU   9  11.675  -1.825 -11.019
   55    HG   LEU   9           HG       LEU   9   9.816  -2.860  -9.720
   56   HD11  LEU   9          HD11      LEU   9   8.365  -2.711 -12.357
   57   HD12  LEU   9          HD12      LEU   9   7.928  -1.868 -10.872
   58   HD13  LEU   9          HD13      LEU   9   7.833  -3.626 -10.948
   59   HD21  LEU   9          HD21      LEU   9  11.454  -4.240 -10.869
   60   HD22  LEU   9          HD22      LEU   9  10.496  -4.170 -12.348
   61   HD23  LEU   9          HD23      LEU   9   9.860  -4.992 -10.924
   62    H    ALA  10           HN       ALA  10   8.332  -0.374  -9.038
   63    HA   ALA  10           HA       ALA  10   9.777   0.478  -6.745
   64    HB1  ALA  10           HB1      ALA  10   7.366   0.837  -6.982
   65    HB2  ALA  10           HB2      ALA  10   7.746  -0.043  -5.502
   66    HB3  ALA  10           HB3      ALA  10   7.100  -0.904  -6.899
   67    HA   PRO  11           HA       PRO  11  11.645  -3.477  -5.871
   68    HB2  PRO  11           HB2      PRO  11  12.963  -2.732  -3.640
   69    HB3  PRO  11           HB1      PRO  11  13.479  -2.236  -5.256
   70    HG2  PRO  11           HG2      PRO  11  11.919  -0.707  -3.211
   71    HG3  PRO  11           HG1      PRO  11  13.248  -0.156  -4.248
   72    HD2  PRO  11           HD2      PRO  11  10.623   0.335  -4.789
   73    HD3  PRO  11           HD1      PRO  11  11.863   0.188  -6.046
   74    H    GLY  12           HN       GLY  12   8.949  -3.424  -5.195
   75    HA2  GLY  12           HA2      GLY  12   7.528  -4.663  -3.877
   76    HA3  GLY  12           HA1      GLY  12   8.931  -5.227  -2.985
   77    H    ALA  13           HN       ALA  13   9.742  -3.927  -1.261
   78    HA   ALA  13           HA       ALA  13   7.580  -2.654   0.188
   79    HB1  ALA  13           HB1      ALA  13   9.086  -2.711   2.099
   80    HB2  ALA  13           HB2      ALA  13  10.406  -3.248   1.059
   81    HB3  ALA  13           HB3      ALA  13   9.008  -4.291   1.320
   82    H    ARG  14           HN       ARG  14   7.534  -0.841  -1.367
   83    HA   ARG  14           HA       ARG  14   8.804   1.436  -0.234
   84    HB2  ARG  14           HB2      ARG  14  10.673   0.547  -1.601
   85    HB3  ARG  14           HB1      ARG  14   9.655   0.655  -3.028
   86    HG2  ARG  14           HG2      ARG  14   9.592   3.038  -2.889
   87    HG3  ARG  14           HG1      ARG  14  10.406   3.014  -1.322
   88    HD2  ARG  14           HD2      ARG  14  12.376   1.996  -2.403
   89    HD3  ARG  14           HD1      ARG  14  11.564   2.125  -3.959
   90    HE   ARG  14           HE       ARG  14  11.505   4.630  -3.343
   91   HH11  ARG  14          HH11      ARG  14  14.098   2.394  -2.616
   92   HH12  ARG  14          HH12      ARG  14  15.325   3.620  -2.619
   93   HH21  ARG  14          HH21      ARG  14  13.098   6.238  -3.340
   94   HH22  ARG  14          HH22      ARG  14  14.762   5.819  -3.044
   95    H    CYS  15           HN       CYS  15   7.597   3.209  -0.630
   96    HA   CYS  15           HA       CYS  15   5.164   2.918  -2.114
   97    HB2  CYS  15           HB2      CYS  15   5.206   4.168  -0.027
   98    HB3  CYS  15           HB1      CYS  15   6.410   5.268  -0.677
   99    H    GLY  16           HN       GLY  16   5.322   2.898  -4.269
  100    HA2  GLY  16           HA2      GLY  16   7.375   4.407  -5.640
  101    HA3  GLY  16           HA1      GLY  16   6.202   3.326  -6.376
  102    H    VAL  17           HN       VAL  17   4.330   5.143  -4.518
  103    HA   VAL  17           HA       VAL  17   3.338   6.682  -6.693
  104    HB   VAL  17           HB       VAL  17   2.656   7.019  -3.771
  105   HG11  VAL  17          HG11      VAL  17   0.517   7.856  -4.627
  106   HG12  VAL  17          HG12      VAL  17   1.110   7.670  -6.278
  107   HG13  VAL  17          HG13      VAL  17   1.871   8.833  -5.194
  108   HG21  VAL  17          HG21      VAL  17   2.388   4.688  -4.409
  109   HG22  VAL  17          HG22      VAL  17   1.427   5.168  -5.809
  110   HG23  VAL  17          HG23      VAL  17   0.814   5.453  -4.179
  111    H    CYS  18           HN       CYS  18   5.460   7.369  -3.981
  112    HA   CYS  18           HA       CYS  18   5.774  10.101  -5.029
  113    HB2  CYS  18           HB2      CYS  18   6.686  10.715  -2.816
  114    HB3  CYS  18           HB1      CYS  18   5.032  10.126  -2.710
  115    H    GLY  19           HN       GLY  19   7.463   7.221  -3.883
  116    HA2  GLY  19           HA2      GLY  19   9.375   6.582  -5.341
  117    HA3  GLY  19           HA1      GLY  19   9.893   8.255  -5.200
  118    H    ASP  20           HN       ASP  20   8.740   7.807  -2.278
  119    HA   ASP  20           HA       ASP  20  11.312   6.828  -1.241
  120    HB2  ASP  20           HB2      ASP  20   9.301   8.775  -0.138
  121    HB3  ASP  20           HB1      ASP  20  10.487   8.000   0.905
  122    H    GLY  21           HN       GLY  21  11.408   5.172   0.169
  123    HA2  GLY  21           HA2      GLY  21   8.857   3.868   0.897
  124    HA3  GLY  21           HA1      GLY  21  10.416   3.055   0.786
  125    H    THR  22           HN       THR  22  10.963   5.982   2.120
  126    HA   THR  22           HA       THR  22  11.503   4.947   4.706
  127    HB   THR  22           HB       THR  22  11.389   7.847   3.859
  128    HG1  THR  22           HG1      THR  22  13.626   7.534   3.358
  129   HG21  THR  22          HG21      THR  22  11.564   7.465   6.281
  130   HG22  THR  22          HG22      THR  22  13.043   8.170   5.627
  131   HG23  THR  22          HG23      THR  22  12.983   6.450   6.012
  132    H    ASP  23           HN       ASP  23  10.316   5.004   6.520
  133    HA   ASP  23           HA       ASP  23   8.469   5.059   7.836
  134    HB2  ASP  23           HB2      ASP  23   8.280   7.783   6.551
  135    HB3  ASP  23           HB1      ASP  23   7.168   7.252   7.809
  136    H    VAL  24           HN       VAL  24   8.093   3.482   5.799
  137    HA   VAL  24           HA       VAL  24   5.762   4.265   4.255
  138    HB   VAL  24           HB       VAL  24   7.805   3.026   3.328
  139   HG11  VAL  24          HG11      VAL  24   7.745   0.593   3.437
  140   HG12  VAL  24          HG12      VAL  24   6.428   0.685   4.605
  141   HG13  VAL  24          HG13      VAL  24   8.019   1.321   5.018
  142   HG21  VAL  24          HG21      VAL  24   5.075   1.921   2.765
  143   HG22  VAL  24          HG22      VAL  24   6.482   1.821   1.706
  144   HG23  VAL  24          HG23      VAL  24   5.766   3.389   2.073
  145    H    LEU  25           HN       LEU  25   3.816   3.048   4.218
  146    HA   LEU  25           HA       LEU  25   3.252   1.702   6.761
  147    HB2  LEU  25           HB2      LEU  25   1.371   2.837   4.686
  148    HB3  LEU  25           HB1      LEU  25   0.877   2.077   6.187
  149    HG   LEU  25           HG       LEU  25   2.455   4.637   5.943
  150   HD11  LEU  25          HD11      LEU  25   0.125   4.887   5.277
  151   HD12  LEU  25          HD12      LEU  25   0.434   5.693   6.815
  152   HD13  LEU  25          HD13      LEU  25  -0.395   4.137   6.786
  153   HD21  LEU  25          HD21      LEU  25   2.084   4.803   8.375
  154   HD22  LEU  25          HD22      LEU  25   3.102   3.433   7.933
  155   HD23  LEU  25          HD23      LEU  25   1.410   3.173   8.362
  156    H    ARG  26           HN       ARG  26   1.791  -0.165   6.681
  157    HA   ARG  26           HA       ARG  26   2.171  -1.777   4.243
  158    HB2  ARG  26           HB2      ARG  26   3.489  -2.234   6.588
  159    HB3  ARG  26           HB1      ARG  26   2.039  -3.194   6.833
  160    HG2  ARG  26           HG2      ARG  26   3.655  -4.641   5.915
  161    HG3  ARG  26           HG1      ARG  26   2.521  -4.279   4.611
  162    HD2  ARG  26           HD2      ARG  26   4.918  -4.206   3.932
  163    HD3  ARG  26           HD1      ARG  26   4.039  -2.707   3.636
  164    HE   ARG  26           HE       ARG  26   5.073  -1.972   5.842
  165   HH11  ARG  26          HH11      ARG  26   6.656  -4.232   3.676
  166   HH12  ARG  26          HH12      ARG  26   8.252  -3.772   4.176
  167   HH21  ARG  26          HH21      ARG  26   7.163  -1.392   6.507
  168   HH22  ARG  26          HH22      ARG  26   8.539  -2.185   5.801
  169    H    CYS  27           HN       CYS  27   0.344  -2.815   3.542
  170    HA   CYS  27           HA       CYS  27  -2.146  -2.242   4.762
  171    HB2  CYS  27           HB2      CYS  27  -1.971  -2.731   2.338
  172    HB3  CYS  27           HB1      CYS  27  -1.553  -4.415   2.711
  173    H    THR  28           HN       THR  28  -3.480  -3.478   6.032
  174    HA   THR  28           HA       THR  28  -2.196  -5.598   7.541
  175    HB   THR  28           HB       THR  28  -4.299  -5.523   8.905
  176    HG1  THR  28           HG1      THR  28  -5.930  -4.276   8.300
  177   HG21  THR  28          HG21      THR  28  -3.856  -3.316   9.892
  178   HG22  THR  28          HG22      THR  28  -2.898  -2.881   8.478
  179   HG23  THR  28          HG23      THR  28  -2.361  -4.181   9.542
  180    H    HIS  29           HN       HIS  29  -4.472  -5.259   4.984
  181    HA   HIS  29           HA       HIS  29  -5.518  -7.963   5.359
  182    HB2  HIS  29           HB2      HIS  29  -6.301  -5.715   3.507
  183    HB3  HIS  29           HB1      HIS  29  -6.954  -7.341   3.345
  184    HD1  HIS  29           HD1      HIS  29  -9.006  -7.819   4.654
  185    HD2  HIS  29           HD2      HIS  29  -6.941  -4.534   6.146
  186    HE1  HIS  29           HE1      HIS  29 -10.487  -6.839   6.428
  187    HE2  HIS  29           HE2      HIS  29  -9.290  -4.768   7.206
  188    H    CYS  30           HN       CYS  30  -3.370  -6.149   3.319
  189    HA   CYS  30           HA       CYS  30  -2.687  -8.616   1.894
  190    HB2  CYS  30           HB2      CYS  30  -2.539  -6.211   0.208
  191    HB3  CYS  30           HB1      CYS  30  -3.115  -7.824  -0.187
  192    H    ALA  31           HN       ALA  31  -0.665  -7.872   0.381
  193    HA   ALA  31           HA       ALA  31   1.241  -6.719   2.281
  194    HB1  ALA  31           HB1      ALA  31   1.748  -8.527  -0.079
  195    HB2  ALA  31           HB2      ALA  31   1.710  -9.022   1.614
  196    HB3  ALA  31           HB3      ALA  31   2.969  -7.926   1.043
  197    H    ALA  32           HN       ALA  32   1.795  -4.693   1.895
  198    HA   ALA  32           HA       ALA  32   2.660  -3.774  -0.643
  199    HB1  ALA  32           HB1      ALA  32   0.935  -2.091  -1.058
  200    HB2  ALA  32           HB2      ALA  32   0.011  -2.691   0.321
  201    HB3  ALA  32           HB3      ALA  32   0.252  -3.718  -1.094
  202    H    ALA  33           HN       ALA  33   4.117  -2.258  -0.270
  203    HA   ALA  33           HA       ALA  33   4.031  -0.732   2.246
  204    HB1  ALA  33           HB1      ALA  33   6.366  -0.261   1.865
  205    HB2  ALA  33           HB2      ALA  33   6.299  -1.047   0.289
  206    HB3  ALA  33           HB3      ALA  33   6.091  -2.000   1.759
  207    H    PHE  34           HN       PHE  34   3.082   1.158   2.082
  208    HA   PHE  34           HA       PHE  34   3.655   2.947  -0.116
  209    HB2  PHE  34           HB2      PHE  34   1.310   3.225  -0.775
  210    HB3  PHE  34           HB1      PHE  34   1.824   1.559  -1.022
  211    HD1  PHE  34           HD2      PHE  34   1.167  -0.169   0.702
  212    HD2  PHE  34           HD1      PHE  34  -0.527   3.732   0.583
  213    HE1  PHE  34           HE2      PHE  34  -0.721  -0.951   2.067
  214    HE2  PHE  34           HE1      PHE  34  -2.418   2.956   1.949
  215    HZ   PHE  34           HZ       PHE  34  -2.517   0.611   2.689
  216    H    HIS  35           HN       HIS  35   2.365   5.043   0.235
  217    HA   HIS  35           HA       HIS  35   1.996   5.501   3.120
  218    HB2  HIS  35           HB2      HIS  35   2.549   7.525   0.934
  219    HB3  HIS  35           HB1      HIS  35   2.323   7.901   2.637
  220    HD2  HIS  35           HD2      HIS  35   4.373   5.659   3.880
  221    HE1  HIS  35           HE1      HIS  35   7.191   7.601   1.386
  222    HE2  HIS  35           HE2      HIS  35   6.877   6.262   3.522
  223    H    TRP  36           HN       TRP  36   0.088   6.191   3.848
  224    HA   TRP  36           HA       TRP  36  -2.253   5.816   2.345
  225    HB2  TRP  36           HB2      TRP  36  -2.183   5.586   4.779
  226    HB3  TRP  36           HB1      TRP  36  -1.810   7.293   4.949
  227    HD1  TRP  36           HD1      TRP  36  -3.808   9.001   4.841
  228    HE1  TRP  36           HE1      TRP  36  -6.364   8.722   4.860
  229    HE3  TRP  36           HE3      TRP  36  -4.075   3.980   3.918
  230    HZ2  TRP  36           HZ2      TRP  36  -8.246   6.638   4.524
  231    HZ3  TRP  36           HZ3      TRP  36  -6.290   2.921   3.784
  232    HH2  TRP  36           HH2      TRP  36  -8.332   4.224   4.083
  233    H    ARG  37           HN       ARG  37  -0.375   8.679   3.131
  234    HA   ARG  37           HA       ARG  37  -2.221  10.576   2.092
  235    HB2  ARG  37           HB2      ARG  37   0.748  10.740   2.605
  236    HB3  ARG  37           HB1      ARG  37  -0.235  12.110   2.109
  237    HG2  ARG  37           HG2      ARG  37  -1.520  12.001   4.126
  238    HG3  ARG  37           HG1      ARG  37  -0.724  10.499   4.601
  239    HD2  ARG  37           HD2      ARG  37   0.188  12.421   5.809
  240    HD3  ARG  37           HD1      ARG  37   1.402  11.663   4.783
  241    HE   ARG  37           HE       ARG  37   0.085  13.830   3.472
  242   HH11  ARG  37          HH11      ARG  37   2.597  13.023   5.764
  243   HH12  ARG  37          HH12      ARG  37   3.503  14.475   5.480
  244   HH21  ARG  37          HH21      ARG  37   1.283  15.751   3.083
  245   HH22  ARG  37          HH22      ARG  37   2.756  16.026   3.956
  246    H    CYS  38           HN       CYS  38   0.218   8.570   0.650
  247    HA   CYS  38           HA       CYS  38   0.253  10.057  -1.827
  248    HB2  CYS  38           HB2      CYS  38   1.472   7.393  -1.084
  249    HB3  CYS  38           HB1      CYS  38   1.705   8.204  -2.627
  250    H    HIS  39           HN       HIS  39  -1.467   7.399  -0.449
  251    HA   HIS  39           HA       HIS  39  -2.440   6.493  -3.034
  252    HB2  HIS  39           HB2      HIS  39  -2.431   5.424  -0.292
  253    HB3  HIS  39           HB1      HIS  39  -3.883   5.069  -1.222
  254    HD1  HIS  39           HD1      HIS  39  -3.741   2.971  -2.478
  255    HD2  HIS  39           HD2      HIS  39  -0.004   4.715  -1.992
  256    HE1  HIS  39           HE1      HIS  39  -2.102   1.342  -3.470
  257    HE2  HIS  39           HE2      HIS  39   0.111   2.532  -3.375
  258    H    PHE  40           HN       PHE  40  -3.642   8.103  -0.141
  259    HA   PHE  40           HA       PHE  40  -6.074   8.790  -1.649
  260    HB2  PHE  40           HB2      PHE  40  -5.856   8.299   1.331
  261    HB3  PHE  40           HB1      PHE  40  -7.318   8.766   0.470
  262    HD1  PHE  40           HD2      PHE  40  -8.512   7.163  -0.908
  263    HD2  PHE  40           HD1      PHE  40  -4.992   6.050   1.204
  264    HE1  PHE  40           HE2      PHE  40  -9.047   4.790  -1.274
  265    HE2  PHE  40           HE1      PHE  40  -5.521   3.675   0.840
  266    HZ   PHE  40           HZ       PHE  40  -7.549   3.043  -0.401
  267    HA   PRO  41           HA       PRO  41  -3.662  12.546  -0.316
  268    HB2  PRO  41           HB2      PRO  41  -3.981  13.528  -3.028
  269    HB3  PRO  41           HB1      PRO  41  -2.497  13.136  -2.160
  270    HG2  PRO  41           HG2      PRO  41  -3.416  11.681  -4.268
  271    HG3  PRO  41           HG1      PRO  41  -2.446  10.986  -2.956
  272    HD2  PRO  41           HD2      PRO  41  -5.413  10.891  -3.376
  273    HD3  PRO  41           HD1      PRO  41  -4.309   9.603  -2.843
  274    H    ALA  42           HN       ALA  42  -6.778  11.934  -1.080
  275    HA   ALA  42           HA       ALA  42  -7.697  14.647  -1.453
  276    HB1  ALA  42           HB1      ALA  42  -9.260  12.125  -0.919
  277    HB2  ALA  42           HB2      ALA  42  -8.887  12.797  -2.507
  278    HB3  ALA  42           HB3      ALA  42  -9.938  13.681  -1.399
  279    H    GLY  43           HN       GLY  43  -6.439  13.200   1.137
  280    HA2  GLY  43           HA2      GLY  43  -6.399  14.007   3.322
  281    HA3  GLY  43           HA1      GLY  43  -7.823  14.976   2.963
  282    H    THR  44           HN       THR  44  -7.608  11.553   2.319
  283    HA   THR  44           HA       THR  44  -9.957  10.957   3.787
  284    HB   THR  44           HB       THR  44  -7.850   8.976   2.897
  285    HG1  THR  44           HG1      THR  44  -9.895  10.292   1.406
  286   HG21  THR  44          HG21      THR  44  -9.705   8.112   4.293
  287   HG22  THR  44          HG22      THR  44  -9.723   7.457   2.656
  288   HG23  THR  44          HG23      THR  44 -10.855   8.732   3.106
  289    H    SER  45           HN       SER  45 -10.153   9.754   5.746
  290    HA   SER  45           HA       SER  45  -8.042  10.427   7.609
  291    HB2  SER  45           HB2      SER  45 -10.712   9.107   8.150
  292    HB3  SER  45           HB1      SER  45  -9.650   9.867   9.334
  293    HG   SER  45           HG       SER  45  -9.963  11.839   8.024
  294    H    ARG  46           HN       ARG  46  -6.502   9.077   8.175
  295    HA   ARG  46           HA       ARG  46  -6.372   6.398   7.300
  296    HB2  ARG  46           HB2      ARG  46  -4.331   7.597   7.634
  297    HB3  ARG  46           HB1      ARG  46  -4.747   7.970   9.301
  298    HG2  ARG  46           HG2      ARG  46  -4.540   5.607   9.882
  299    HG3  ARG  46           HG1      ARG  46  -4.134   5.230   8.210
  300    HD2  ARG  46           HD2      ARG  46  -2.108   6.498   8.349
  301    HD3  ARG  46           HD1      ARG  46  -2.547   7.117   9.941
  302    HE   ARG  46           HE       ARG  46  -2.531   4.379  10.194
  303   HH11  ARG  46          HH11      ARG  46  -0.186   6.813   9.273
  304   HH12  ARG  46          HH12      ARG  46   1.159   5.937   9.924
  305   HH21  ARG  46          HH21      ARG  46  -0.771   3.230  11.040
  306   HH22  ARG  46          HH22      ARG  46   0.827   3.898  10.929
  307    HA   PRO  47           HA       PRO  47  -8.757   4.629  10.669
  308    HB2  PRO  47           HB2      PRO  47  -8.649   2.076   9.769
  309    HB3  PRO  47           HB1      PRO  47  -9.753   3.281   9.097
  310    HG2  PRO  47           HG2      PRO  47  -7.149   2.289   8.028
  311    HG3  PRO  47           HG1      PRO  47  -8.643   2.683   7.159
  312    HD2  PRO  47           HD2      PRO  47  -6.470   4.340   7.290
  313    HD3  PRO  47           HD1      PRO  47  -8.133   4.911   7.052
  314    H    GLY  48           HN       GLY  48  -8.180   3.616  12.553
  315    HA2  GLY  48           HA2      GLY  48  -5.339   2.913  12.795
  316    HA3  GLY  48           HA1      GLY  48  -6.398   3.372  14.119
  317    H    THR  49           HN       THR  49  -8.347   1.417  12.550
  318    HA   THR  49           HA       THR  49  -7.564  -0.887  14.166
  319    HB   THR  49           HB       THR  49  -9.888  -1.715  13.464
  320    HG1  THR  49           HG1      THR  49 -11.195   0.355  13.001
  321   HG21  THR  49          HG21      THR  49  -9.651   0.814  15.097
  322   HG22  THR  49          HG22      THR  49  -9.403  -0.829  15.690
  323   HG23  THR  49          HG23      THR  49 -11.002  -0.318  15.146
  324    H    GLY  50           HN       GLY  50  -6.664   0.030  11.276
  325    HA2  GLY  50           HA2      GLY  50  -5.699  -2.222  10.224
  326    HA3  GLY  50           HA1      GLY  50  -7.385  -2.327   9.743
  327    H    LEU  51           HN       LEU  51  -4.416  -1.389   8.742
  328    HA   LEU  51           HA       LEU  51  -5.299   0.898   7.174
  329    HB2  LEU  51           HB2      LEU  51  -2.978   0.494   8.377
  330    HB3  LEU  51           HB1      LEU  51  -2.604  -0.379   6.907
  331    HG   LEU  51           HG       LEU  51  -1.754   1.931   6.881
  332   HD11  LEU  51          HD11      LEU  51  -3.953   1.488   4.876
  333   HD12  LEU  51          HD12      LEU  51  -2.323   0.821   4.776
  334   HD13  LEU  51          HD13      LEU  51  -2.568   2.566   4.698
  335   HD21  LEU  51          HD21      LEU  51  -4.658   2.733   6.940
  336   HD22  LEU  51          HD22      LEU  51  -3.278   3.810   6.723
  337   HD23  LEU  51          HD23      LEU  51  -3.499   2.957   8.250
  338    H    ARG  52           HN       ARG  52  -6.077   0.676   5.169
  339    HA   ARG  52           HA       ARG  52  -5.627  -1.888   3.807
  340    HB2  ARG  52           HB2      ARG  52  -8.001  -0.105   3.976
  341    HB3  ARG  52           HB1      ARG  52  -7.737  -0.969   2.468
  342    HG2  ARG  52           HG2      ARG  52  -7.667  -3.088   3.714
  343    HG3  ARG  52           HG1      ARG  52  -8.023  -2.198   5.204
  344    HD2  ARG  52           HD2      ARG  52  -9.769  -2.368   2.751
  345    HD3  ARG  52           HD1      ARG  52 -10.031  -3.208   4.276
  346    HE   ARG  52           HE       ARG  52  -9.905  -0.323   4.471
  347   HH11  ARG  52          HH11      ARG  52 -11.924  -3.154   4.104
  348   HH12  ARG  52          HH12      ARG  52 -13.371  -2.346   4.613
  349   HH21  ARG  52          HH21      ARG  52 -11.802   0.748   5.138
  350   HH22  ARG  52          HH22      ARG  52 -13.304  -0.118   5.201
  351    H    CYS  53           HN       CYS  53  -5.273  -1.924   1.608
  352    HA   CYS  53           HA       CYS  53  -4.051   0.511   0.564
  353    HB2  CYS  53           HB2      CYS  53  -2.715  -0.900  -0.889
  354    HB3  CYS  53           HB1      CYS  53  -2.542  -1.431   0.776
  355    H    ARG  54           HN       ARG  54  -4.062   0.162  -2.108
  356    HA   ARG  54           HA       ARG  54  -6.605   1.139  -2.705
  357    HB2  ARG  54           HB2      ARG  54  -5.912   1.081  -5.066
  358    HB3  ARG  54           HB1      ARG  54  -4.677   1.768  -4.023
  359    HG2  ARG  54           HG2      ARG  54  -3.440  -0.329  -4.086
  360    HG3  ARG  54           HG1      ARG  54  -4.686  -1.037  -5.116
  361    HD2  ARG  54           HD2      ARG  54  -4.223   0.631  -6.836
  362    HD3  ARG  54           HD1      ARG  54  -3.001   1.369  -5.801
  363    HE   ARG  54           HE       ARG  54  -2.312  -1.303  -6.093
  364   HH11  ARG  54          HH11      ARG  54  -2.636   1.540  -8.114
  365   HH12  ARG  54          HH12      ARG  54  -1.454   1.008  -9.268
  366   HH21  ARG  54          HH21      ARG  54  -0.752  -2.001  -7.606
  367   HH22  ARG  54          HH22      ARG  54  -0.379  -1.007  -8.976
  368    H    SER  55           HN       SER  55  -5.305  -2.119  -3.152
  369    HA   SER  55           HA       SER  55  -7.337  -3.079  -4.831
  370    HB2  SER  55           HB2      SER  55  -5.753  -4.724  -2.854
  371    HB3  SER  55           HB1      SER  55  -6.446  -5.253  -4.388
  372    HG   SER  55           HG       SER  55  -4.916  -4.140  -5.485
  373    H    CYS  56           HN       CYS  56  -6.920  -3.521  -1.321
  374    HA   CYS  56           HA       CYS  56  -9.373  -4.940  -1.027
  375    HB2  CYS  56           HB2      CYS  56  -8.869  -4.619   1.444
  376    HB3  CYS  56           HB1      CYS  56  -7.632  -5.454   0.514
  377    H    SER  57           HN       SER  57  -8.504  -1.591  -0.937
  378    HA   SER  57           HA       SER  57 -11.023  -0.906   0.397
  379    HB2  SER  57           HB2      SER  57  -8.923   0.068   1.308
  380    HB3  SER  57           HB1      SER  57  -8.654   0.875  -0.236
  381    HG   SER  57           HG       SER  57 -10.895   1.747   0.202
  382    H    GLY  58           HN       GLY  58 -10.558  -1.748  -2.502
  383    HA2  GLY  58           HA2      GLY  58 -12.338   0.231  -3.627
  384    HA3  GLY  58           HA1      GLY  58 -10.743   0.200  -4.360
  385    H    ASP  59           HN       ASP  59 -13.105  -2.257  -3.291
  386    HA   ASP  59           HA       ASP  59 -12.605  -3.729  -5.754
  387    HB2  ASP  59           HB2      ASP  59 -14.245  -4.371  -3.304
  388    HB3  ASP  59           HB1      ASP  59 -14.265  -5.372  -4.751
  389    H    VAL  60           HN       VAL  60 -13.469  -2.054  -7.102
  390    HA   VAL  60           HA       VAL  60 -16.351  -1.635  -6.984
  391    HB   VAL  60           HB       VAL  60 -14.353  -0.506  -8.956
  392   HG11  VAL  60          HG11      VAL  60 -16.098   1.147  -9.427
  393   HG12  VAL  60          HG12      VAL  60 -17.182   0.318  -8.311
  394   HG13  VAL  60          HG13      VAL  60 -16.645  -0.491  -9.781
  395   HG21  VAL  60          HG21      VAL  60 -14.471   1.555  -7.624
  396   HG22  VAL  60          HG22      VAL  60 -13.801   0.209  -6.701
  397   HG23  VAL  60          HG23      VAL  60 -15.468   0.719  -6.434
  398    H    THR  61           HN       THR  61 -17.657  -3.021  -7.989
  399    HA   THR  61           HA       THR  61 -16.658  -4.889  -9.917
  400    HB   THR  61           HB       THR  61 -18.430  -5.563  -8.367
  401    HG1  THR  61           HG1      THR  61 -19.770  -5.605 -10.830
  402   HG21  THR  61          HG21      THR  61 -19.627  -3.448  -8.151
  403   HG22  THR  61          HG22      THR  61 -20.727  -4.740  -8.632
  404   HG23  THR  61          HG23      THR  61 -20.167  -3.570  -9.826
  405    HA   PRO  62           HA       PRO  62 -17.148  -2.313 -13.491
  406    HB2  PRO  62           HB2      PRO  62 -17.252  -4.339 -15.348
  407    HB3  PRO  62           HB1      PRO  62 -15.758  -3.699 -14.657
  408    HG2  PRO  62           HG2      PRO  62 -17.286  -6.159 -13.925
  409    HG3  PRO  62           HG1      PRO  62 -15.533  -5.917 -14.035
  410    HD2  PRO  62           HD2      PRO  62 -16.830  -5.958 -11.675
  411    HD3  PRO  62           HD1      PRO  62 -15.412  -4.926 -11.954
  412    H    ALA  63           HN       ALA  63 -18.864  -1.471 -14.505
  413    HA   ALA  63           HA       ALA  63 -21.467  -2.302 -13.838
  414    HB1  ALA  63           HB1      ALA  63 -22.217  -0.547 -15.351
  415    HB2  ALA  63           HB2      ALA  63 -20.596  -0.423 -16.033
  416    HB3  ALA  63           HB3      ALA  63 -20.881   0.022 -14.350
  417    HA   PRO  64           HA       PRO  64 -22.044  -5.559 -16.797
  418    HB2  PRO  64           HB2      PRO  64 -24.789  -5.627 -16.665
  419    HB3  PRO  64           HB1      PRO  64 -23.720  -6.406 -15.496
  420    HG2  PRO  64           HG2      PRO  64 -25.143  -3.784 -15.313
  421    HG3  PRO  64           HG1      PRO  64 -24.901  -5.018 -14.063
  422    HD2  PRO  64           HD2      PRO  64 -23.424  -2.771 -14.151
  423    HD3  PRO  64           HD1      PRO  64 -22.742  -4.319 -13.615
  424    H    VAL  65           HN       VAL  65 -21.527  -4.829 -18.782
  425    HA   VAL  65           HA       VAL  65 -23.528  -3.194 -20.192
  426    HB   VAL  65           HB       VAL  65 -21.518  -1.894 -19.854
  427   HG11  VAL  65          HG11      VAL  65 -20.039  -4.156 -21.188
  428   HG12  VAL  65          HG12      VAL  65 -19.910  -3.667 -19.499
  429   HG13  VAL  65          HG13      VAL  65 -19.348  -2.587 -20.775
  430   HG21  VAL  65          HG21      VAL  65 -20.917  -1.391 -22.187
  431   HG22  VAL  65          HG22      VAL  65 -22.657  -1.554 -21.957
  432   HG23  VAL  65          HG23      VAL  65 -21.740  -2.865 -22.699
  433    H    GLU  66           HN       GLU  66 -24.328  -3.981 -22.046
  434    HA   GLU  66           HA       GLU  66 -23.260  -6.528 -23.024
  435    HB2  GLU  66           HB2      GLU  66 -25.926  -5.174 -23.476
  436    HB3  GLU  66           HB1      GLU  66 -25.442  -6.678 -24.244
  437    HG2  GLU  66           HG2      GLU  66 -25.622  -6.289 -21.268
  438    HG3  GLU  66           HG1      GLU  66 -26.915  -6.955 -22.263
  Start of MODEL   35
    1    H1   GLY   1           HT1      GLY   1  25.506 -24.514   4.393
    2    H2   GLY   1           HT2      GLY   1  27.132 -24.966   4.473
    3    H3   GLY   1           HT3      GLY   1  26.019 -25.960   3.683
    4    HA2  GLY   1           HA1      GLY   1  27.321 -24.774   2.066
    5    HA3  GLY   1           HA2      GLY   1  25.642 -24.253   2.014
    6    H    ALA   2           HN       ALA   2  27.652 -22.688   0.980
    7    HA   ALA   2           HA       ALA   2  28.640 -20.788   2.864
    8    HB1  ALA   2           HB1      ALA   2  29.779 -21.289   0.743
    9    HB2  ALA   2           HB2      ALA   2  29.439 -19.571   0.929
   10    HB3  ALA   2           HB3      ALA   2  28.438 -20.557  -0.134
   11    H    MET   3           HN       MET   3  25.798 -21.032   0.859
   12    HA   MET   3           HA       MET   3  24.916 -18.396   1.813
   13    HB2  MET   3           HB2      MET   3  23.988 -20.121  -0.479
   14    HB3  MET   3           HB1      MET   3  23.052 -18.750   0.102
   15    HG2  MET   3           HG2      MET   3  25.872 -18.625  -0.940
   16    HG3  MET   3           HG1      MET   3  24.421 -18.179  -1.837
   17    HE1  MET   3           HE1      MET   3  26.158 -14.727  -1.120
   18    HE2  MET   3           HE2      MET   3  25.542 -15.813  -2.366
   19    HE3  MET   3           HE3      MET   3  26.967 -16.262  -1.431
   20    H    GLU   4           HN       GLU   4  24.643 -19.371   3.923
   21    HA   GLU   4           HA       GLU   4  22.644 -21.420   4.267
   22    HB2  GLU   4           HB2      GLU   4  24.685 -21.241   5.690
   23    HB3  GLU   4           HB1      GLU   4  24.051 -19.740   6.350
   24    HG2  GLU   4           HG2      GLU   4  22.155 -20.923   7.283
   25    HG3  GLU   4           HG1      GLU   4  22.726 -22.433   6.572
   26    H    GLY   5           HN       GLY   5  22.795 -17.967   4.296
   27    HA2  GLY   5           HA2      GLY   5  20.496 -17.421   5.850
   28    HA3  GLY   5           HA1      GLY   5  21.213 -16.346   4.656
   29    H    GLN   6           HN       GLN   6  18.388 -17.395   5.387
   30    HA   GLN   6           HA       GLN   6  17.484 -18.753   3.040
   31    HB2  GLN   6           HB2      GLN   6  16.362 -19.054   5.179
   32    HB3  GLN   6           HB1      GLN   6  15.970 -17.343   5.242
   33    HG2  GLN   6           HG2      GLN   6  14.426 -17.538   3.459
   34    HG3  GLN   6           HG1      GLN   6  14.980 -19.167   3.073
   35   HE21  GLN   6          HE21      GLN   6  12.307 -18.136   3.793
   36   HE22  GLN   6          HE22      GLN   6  11.804 -19.084   5.152
   37    H    GLN   7           HN       GLN   7  17.015 -15.459   4.289
   38    HA   GLN   7           HA       GLN   7  16.595 -13.476   3.302
   39    HB2  GLN   7           HB2      GLN   7  18.125 -14.843   1.104
   40    HB3  GLN   7           HB1      GLN   7  17.604 -13.165   0.990
   41    HG2  GLN   7           HG2      GLN   7  19.351 -14.293   3.166
   42    HG3  GLN   7           HG1      GLN   7  19.920 -13.390   1.763
   43   HE21  GLN   7          HE21      GLN   7  20.028 -12.845   4.686
   44   HE22  GLN   7          HE22      GLN   7  19.341 -11.271   4.873
   45    H    ASN   8           HN       ASN   8  14.439 -13.317   3.218
   46    HA   ASN   8           HA       ASN   8  12.897 -14.549   1.134
   47    HB2  ASN   8           HB2      ASN   8  10.980 -13.462   2.130
   48    HB3  ASN   8           HB1      ASN   8  11.974 -14.145   3.405
   49   HD21  ASN   8          HD21      ASN   8  10.718 -11.278   1.979
   50   HD22  ASN   8          HD22      ASN   8  11.256 -10.179   3.203
   51    H    LEU   9           HN       LEU   9  12.299 -13.720  -0.773
   52    HA   LEU   9           HA       LEU   9  13.580 -11.246  -1.586
   53    HB2  LEU   9           HB2      LEU   9  12.045 -13.289  -3.196
   54    HB3  LEU   9           HB1      LEU   9  12.919 -11.924  -3.862
   55    HG   LEU   9           HG       LEU   9  14.171 -14.222  -2.353
   56   HD11  LEU   9          HD11      LEU   9  13.330 -14.904  -4.536
   57   HD12  LEU   9          HD12      LEU   9  15.093 -14.861  -4.523
   58   HD13  LEU   9          HD13      LEU   9  14.185 -13.560  -5.295
   59   HD21  LEU   9          HD21      LEU   9  15.403 -12.143  -2.059
   60   HD22  LEU   9          HD22      LEU   9  15.422 -11.893  -3.804
   61   HD23  LEU   9          HD23      LEU   9  16.293 -13.255  -3.099
   62    H    ALA  10           HN       ALA  10  12.154  -9.935  -0.268
   63    HA   ALA  10           HA       ALA  10   9.383  -9.700  -1.083
   64    HB1  ALA  10           HB1      ALA  10   9.977  -9.489   1.282
   65    HB2  ALA  10           HB2      ALA  10   9.243  -8.005   0.675
   66    HB3  ALA  10           HB3      ALA  10  10.989  -8.094   0.904
   67    HA   PRO  11           HA       PRO  11   9.973  -6.483  -4.100
   68    HB2  PRO  11           HB2      PRO  11   7.455  -5.316  -3.097
   69    HB3  PRO  11           HB1      PRO  11   7.855  -5.894  -4.716
   70    HG2  PRO  11           HG2      PRO  11   6.204  -7.265  -3.118
   71    HG3  PRO  11           HG1      PRO  11   7.337  -8.088  -4.206
   72    HD2  PRO  11           HD2      PRO  11   7.528  -7.640  -1.255
   73    HD3  PRO  11           HD1      PRO  11   7.969  -9.069  -2.211
   74    H    GLY  12           HN       GLY  12   9.516  -5.878  -0.769
   75    HA2  GLY  12           HA2      GLY  12  11.066  -4.411   0.330
   76    HA3  GLY  12           HA1      GLY  12  10.999  -3.362  -1.078
   77    H    ALA  13           HN       ALA  13  10.726  -2.206   1.295
   78    HA   ALA  13           HA       ALA  13   7.844  -1.671   1.528
   79    HB1  ALA  13           HB1      ALA  13  10.013  -1.055   3.539
   80    HB2  ALA  13           HB2      ALA  13   8.944  -2.454   3.602
   81    HB3  ALA  13           HB3      ALA  13   8.277  -0.832   3.760
   82    H    ARG  14           HN       ARG  14   8.070  -0.397  -0.427
   83    HA   ARG  14           HA       ARG  14   9.113   2.291   0.092
   84    HB2  ARG  14           HB2      ARG  14  10.836   1.064  -1.145
   85    HB3  ARG  14           HB1      ARG  14   9.660   0.629  -2.375
   86    HG2  ARG  14           HG2      ARG  14   9.426   2.965  -2.999
   87    HG3  ARG  14           HG1      ARG  14  10.574   3.425  -1.739
   88    HD2  ARG  14           HD2      ARG  14  11.669   3.326  -3.914
   89    HD3  ARG  14           HD1      ARG  14  12.307   2.092  -2.828
   90    HE   ARG  14           HE       ARG  14  10.179   1.126  -4.484
   91   HH11  ARG  14          HH11      ARG  14  13.620   1.749  -4.357
   92   HH12  ARG  14          HH12      ARG  14  14.004   0.597  -5.595
   93   HH21  ARG  14          HH21      ARG  14  10.675  -0.402  -6.103
   94   HH22  ARG  14          HH22      ARG  14  12.325  -0.629  -6.589
   95    H    CYS  15           HN       CYS  15   7.726   3.849  -0.498
   96    HA   CYS  15           HA       CYS  15   5.167   3.230  -1.588
   97    HB2  CYS  15           HB2      CYS  15   5.397   5.069  -0.033
   98    HB3  CYS  15           HB1      CYS  15   6.587   5.852  -1.062
   99    H    GLY  16           HN       GLY  16   4.881   2.697  -3.660
  100    HA2  GLY  16           HA2      GLY  16   6.746   3.178  -5.715
  101    HA3  GLY  16           HA1      GLY  16   5.089   2.642  -5.944
  102    H    VAL  17           HN       VAL  17   4.272   5.178  -4.441
  103    HA   VAL  17           HA       VAL  17   3.918   6.818  -6.764
  104    HB   VAL  17           HB       VAL  17   3.287   7.459  -3.875
  105   HG11  VAL  17          HG11      VAL  17   2.207   8.650  -6.427
  106   HG12  VAL  17          HG12      VAL  17   3.332   9.433  -5.316
  107   HG13  VAL  17          HG13      VAL  17   1.688   9.061  -4.792
  108   HG21  VAL  17          HG21      VAL  17   2.171   5.415  -4.555
  109   HG22  VAL  17          HG22      VAL  17   1.550   6.209  -6.001
  110   HG23  VAL  17          HG23      VAL  17   1.002   6.727  -4.406
  111    H    CYS  18           HN       CYS  18   6.092   6.761  -4.043
  112    HA   CYS  18           HA       CYS  18   7.131   9.414  -4.780
  113    HB2  CYS  18           HB2      CYS  18   7.293   7.890  -2.178
  114    HB3  CYS  18           HB1      CYS  18   8.120   9.415  -2.482
  115    H    GLY  19           HN       GLY  19   7.904   6.082  -4.700
  116    HA2  GLY  19           HA2      GLY  19   9.812   4.952  -5.318
  117    HA3  GLY  19           HA1      GLY  19  10.529   6.496  -5.762
  118    H    ASP  20           HN       ASP  20   9.196   6.191  -2.635
  119    HA   ASP  20           HA       ASP  20  11.796   5.708  -1.389
  120    HB2  ASP  20           HB2      ASP  20  11.630   8.146  -1.657
  121    HB3  ASP  20           HB1      ASP  20  10.062   8.137  -0.855
  122    H    GLY  21           HN       GLY  21  11.635   4.931   0.768
  123    HA2  GLY  21           HA2      GLY  21   8.886   4.114   1.492
  124    HA3  GLY  21           HA1      GLY  21  10.286   3.074   1.691
  125    H    THR  22           HN       THR  22  10.400   6.497   2.476
  126    HA   THR  22           HA       THR  22  11.074   5.909   5.202
  127    HB   THR  22           HB       THR  22  10.353   8.609   4.046
  128    HG1  THR  22           HG1      THR  22  12.013   7.864   2.783
  129   HG21  THR  22          HG21      THR  22  11.813   9.461   5.820
  130   HG22  THR  22          HG22      THR  22  12.092   7.814   6.384
  131   HG23  THR  22          HG23      THR  22  10.480   8.522   6.491
  132    H    ASP  23           HN       ASP  23   9.704   5.553   6.813
  133    HA   ASP  23           HA       ASP  23   7.770   5.264   7.973
  134    HB2  ASP  23           HB2      ASP  23   7.257   8.021   6.849
  135    HB3  ASP  23           HB1      ASP  23   6.218   7.253   8.043
  136    H    VAL  24           HN       VAL  24   7.629   3.740   5.892
  137    HA   VAL  24           HA       VAL  24   5.408   4.483   4.173
  138    HB   VAL  24           HB       VAL  24   7.545   3.444   3.310
  139   HG11  VAL  24          HG11      VAL  24   7.746   1.018   3.379
  140   HG12  VAL  24          HG12      VAL  24   6.369   0.938   4.478
  141   HG13  VAL  24          HG13      VAL  24   7.858   1.733   4.988
  142   HG21  VAL  24          HG21      VAL  24   5.524   3.599   1.973
  143   HG22  VAL  24          HG22      VAL  24   4.981   2.046   2.613
  144   HG23  VAL  24          HG23      VAL  24   6.433   2.134   1.613
  145    H    LEU  25           HN       LEU  25   3.448   3.482   4.114
  146    HA   LEU  25           HA       LEU  25   2.724   1.989   6.490
  147    HB2  LEU  25           HB2      LEU  25   1.076   3.111   4.222
  148    HB3  LEU  25           HB1      LEU  25   0.398   2.222   5.576
  149    HG   LEU  25           HG       LEU  25   1.802   4.889   5.676
  150   HD11  LEU  25          HD11      LEU  25  -0.460   5.000   4.833
  151   HD12  LEU  25          HD12      LEU  25  -0.388   5.669   6.464
  152   HD13  LEU  25          HD13      LEU  25  -1.042   4.052   6.202
  153   HD21  LEU  25          HD21      LEU  25   1.256   4.881   8.068
  154   HD22  LEU  25          HD22      LEU  25   2.393   3.602   7.647
  155   HD23  LEU  25          HD23      LEU  25   0.696   3.215   7.926
  156    H    ARG  26           HN       ARG  26   1.754  -0.013   6.493
  157    HA   ARG  26           HA       ARG  26   2.223  -1.642   4.081
  158    HB2  ARG  26           HB2      ARG  26   2.211  -2.483   6.991
  159    HB3  ARG  26           HB1      ARG  26   2.478  -3.552   5.622
  160    HG2  ARG  26           HG2      ARG  26   4.253  -1.232   6.358
  161    HG3  ARG  26           HG1      ARG  26   4.552  -2.913   6.799
  162    HD2  ARG  26           HD2      ARG  26   4.334  -1.850   3.984
  163    HD3  ARG  26           HD1      ARG  26   5.839  -2.224   4.821
  164    HE   ARG  26           HE       ARG  26   4.295  -4.519   4.911
  165   HH11  ARG  26          HH11      ARG  26   5.786  -2.517   2.471
  166   HH12  ARG  26          HH12      ARG  26   5.954  -3.805   1.324
  167   HH21  ARG  26          HH21      ARG  26   4.529  -6.231   3.407
  168   HH22  ARG  26          HH22      ARG  26   5.248  -5.910   1.858
  169    H    CYS  27           HN       CYS  27   0.629  -3.188   3.529
  170    HA   CYS  27           HA       CYS  27  -2.041  -2.482   4.415
  171    HB2  CYS  27           HB2      CYS  27  -1.462  -2.947   1.990
  172    HB3  CYS  27           HB1      CYS  27  -1.281  -4.649   2.428
  173    H    THR  28           HN       THR  28  -3.304  -3.673   5.737
  174    HA   THR  28           HA       THR  28  -2.049  -5.796   7.231
  175    HB   THR  28           HB       THR  28  -4.224  -5.813   8.492
  176    HG1  THR  28           HG1      THR  28  -4.892  -3.429   7.140
  177   HG21  THR  28          HG21      THR  28  -3.871  -3.627   9.547
  178   HG22  THR  28          HG22      THR  28  -2.878  -3.125   8.178
  179   HG23  THR  28          HG23      THR  28  -2.336  -4.435   9.228
  180    H    HIS  29           HN       HIS  29  -4.058  -5.572   4.499
  181    HA   HIS  29           HA       HIS  29  -5.133  -8.267   4.883
  182    HB2  HIS  29           HB2      HIS  29  -5.952  -5.930   3.216
  183    HB3  HIS  29           HB1      HIS  29  -6.425  -7.546   2.713
  184    HD1  HIS  29           HD1      HIS  29  -8.607  -8.265   3.592
  185    HD2  HIS  29           HD2      HIS  29  -6.792  -5.481   6.086
  186    HE1  HIS  29           HE1      HIS  29 -10.261  -7.823   5.429
  187    HE2  HIS  29           HE2      HIS  29  -9.071  -6.278   7.015
  188    H    CYS  30           HN       CYS  30  -2.803  -6.532   3.022
  189    HA   CYS  30           HA       CYS  30  -1.990  -9.012   1.783
  190    HB2  CYS  30           HB2      CYS  30  -2.133  -8.360  -0.468
  191    HB3  CYS  30           HB1      CYS  30  -3.663  -7.824   0.213
  192    H    ALA  31           HN       ALA  31  -0.103  -7.918   0.019
  193    HA   ALA  31           HA       ALA  31   1.738  -6.680   1.928
  194    HB1  ALA  31           HB1      ALA  31   3.533  -7.496   0.475
  195    HB2  ALA  31           HB2      ALA  31   2.333  -8.167  -0.629
  196    HB3  ALA  31           HB3      ALA  31   2.486  -8.811   1.005
  197    H    ALA  32           HN       ALA  32   2.000  -4.551   1.713
  198    HA   ALA  32           HA       ALA  32   2.374  -3.364  -0.885
  199    HB1  ALA  32           HB1      ALA  32  -0.087  -3.454  -0.715
  200    HB2  ALA  32           HB2      ALA  32   0.535  -1.805  -0.782
  201    HB3  ALA  32           HB3      ALA  32   0.004  -2.485   0.755
  202    H    ALA  33           HN       ALA  33   3.345  -1.383  -0.803
  203    HA   ALA  33           HA       ALA  33   3.847  -0.191   1.842
  204    HB1  ALA  33           HB1      ALA  33   6.145   0.150   1.324
  205    HB2  ALA  33           HB2      ALA  33   5.920  -0.430  -0.324
  206    HB3  ALA  33           HB3      ALA  33   5.789  -1.552   1.029
  207    H    PHE  34           HN       PHE  34   2.941   1.735   1.801
  208    HA   PHE  34           HA       PHE  34   3.476   3.589  -0.345
  209    HB2  PHE  34           HB2      PHE  34   1.102   4.012  -0.853
  210    HB3  PHE  34           HB1      PHE  34   1.550   2.359  -1.253
  211    HD1  PHE  34           HD2      PHE  34   0.815   0.494   0.204
  212    HD2  PHE  34           HD1      PHE  34  -0.547   4.483   0.792
  213    HE1  PHE  34           HE2      PHE  34  -1.035  -0.345   1.588
  214    HE2  PHE  34           HE1      PHE  34  -2.399   3.650   2.180
  215    HZ   PHE  34           HZ       PHE  34  -2.646   1.233   2.578
  216    H    HIS  35           HN       HIS  35   2.595   5.760   0.196
  217    HA   HIS  35           HA       HIS  35   2.265   6.091   3.085
  218    HB2  HIS  35           HB2      HIS  35   2.538   8.239   0.965
  219    HB3  HIS  35           HB1      HIS  35   2.561   8.485   2.705
  220    HD2  HIS  35           HD2      HIS  35   4.831   6.431   3.632
  221    HE1  HIS  35           HE1      HIS  35   7.194   8.257   0.624
  222    HE2  HIS  35           HE2      HIS  35   7.234   7.040   2.858
  223    H    TRP  36           HN       TRP  36   0.353   6.810   3.964
  224    HA   TRP  36           HA       TRP  36  -2.035   6.147   2.832
  225    HB2  TRP  36           HB2      TRP  36  -1.731   6.727   5.210
  226    HB3  TRP  36           HB1      TRP  36  -1.604   8.426   4.769
  227    HD1  TRP  36           HD1      TRP  36  -3.791   9.727   5.010
  228    HE1  TRP  36           HE1      TRP  36  -6.296   9.145   5.026
  229    HE3  TRP  36           HE3      TRP  36  -3.456   4.717   4.061
  230    HZ2  TRP  36           HZ2      TRP  36  -7.916   6.851   4.677
  231    HZ3  TRP  36           HZ3      TRP  36  -5.529   3.400   3.917
  232    HH2  TRP  36           HH2      TRP  36  -7.713   4.449   4.218
  233    H    ARG  37           HN       ARG  37  -0.620   9.403   2.823
  234    HA   ARG  37           HA       ARG  37  -2.798  10.601   1.445
  235    HB2  ARG  37           HB2      ARG  37   0.027  11.591   1.854
  236    HB3  ARG  37           HB1      ARG  37  -1.333  12.570   1.319
  237    HG2  ARG  37           HG2      ARG  37  -2.442  12.311   3.414
  238    HG3  ARG  37           HG1      ARG  37  -1.252  11.117   3.945
  239    HD2  ARG  37           HD2      ARG  37  -0.638  14.000   3.310
  240    HD3  ARG  37           HD1      ARG  37  -0.891  13.355   4.933
  241    HE   ARG  37           HE       ARG  37   1.132  11.916   3.523
  242   HH11  ARG  37          HH11      ARG  37   0.520  14.855   5.312
  243   HH12  ARG  37          HH12      ARG  37   2.166  15.042   5.815
  244   HH21  ARG  37          HH21      ARG  37   3.306  12.154   4.191
  245   HH22  ARG  37          HH22      ARG  37   3.752  13.503   5.184
  246    H    CYS  38           HN       CYS  38  -0.423   8.575   0.313
  247    HA   CYS  38           HA       CYS  38  -0.217   9.832  -2.299
  248    HB2  CYS  38           HB2      CYS  38   1.059   7.298  -1.246
  249    HB3  CYS  38           HB1      CYS  38   1.433   8.085  -2.782
  250    H    HIS  39           HN       HIS  39  -1.998   7.403  -0.682
  251    HA   HIS  39           HA       HIS  39  -3.103   6.463  -3.238
  252    HB2  HIS  39           HB2      HIS  39  -2.961   5.275  -0.507
  253    HB3  HIS  39           HB1      HIS  39  -4.333   4.852  -1.525
  254    HD1  HIS  39           HD1      HIS  39  -3.929   2.725  -2.662
  255    HD2  HIS  39           HD2      HIS  39  -0.432   4.923  -2.283
  256    HE1  HIS  39           HE1      HIS  39  -2.142   1.312  -3.701
  257    HE2  HIS  39           HE2      HIS  39  -0.083   2.767  -3.670
  258    H    PHE  40           HN       PHE  40  -3.916   8.021  -0.203
  259    HA   PHE  40           HA       PHE  40  -6.580   8.642  -1.303
  260    HB2  PHE  40           HB2      PHE  40  -5.767   8.106   1.563
  261    HB3  PHE  40           HB1      PHE  40  -7.315   8.805   1.111
  262    HD1  PHE  40           HD1      PHE  40  -5.245   5.784   1.046
  263    HD2  PHE  40           HD2      PHE  40  -9.054   7.457   0.148
  264    HE1  PHE  40           HE1      PHE  40  -6.164   3.522   0.753
  265    HE2  PHE  40           HE2      PHE  40  -9.983   5.197  -0.142
  266    HZ   PHE  40           HZ       PHE  40  -8.562   3.231   0.190
  267    HA   PRO  41           HA       PRO  41  -5.445  12.923  -0.875
  268    HB2  PRO  41           HB2      PRO  41  -7.917  13.984  -0.362
  269    HB3  PRO  41           HB1      PRO  41  -7.367  13.519  -1.975
  270    HG2  PRO  41           HG2      PRO  41  -9.099  12.012  -0.059
  271    HG3  PRO  41           HG1      PRO  41  -9.279  12.209  -1.813
  272    HD2  PRO  41           HD2      PRO  41  -8.264   9.965  -0.741
  273    HD3  PRO  41           HD1      PRO  41  -7.668  10.616  -2.282
  274    H    ALA  42           HN       ALA  42  -5.417  14.628   0.687
  275    HA   ALA  42           HA       ALA  42  -4.872  13.643   3.283
  276    HB1  ALA  42           HB1      ALA  42  -3.624  15.486   2.293
  277    HB2  ALA  42           HB2      ALA  42  -4.327  15.951   3.842
  278    HB3  ALA  42           HB3      ALA  42  -5.069  16.496   2.337
  279    H    GLY  43           HN       GLY  43  -7.786  14.543   1.888
  280    HA2  GLY  43           HA2      GLY  43  -9.039  15.518   4.306
  281    HA3  GLY  43           HA1      GLY  43  -9.842  15.157   2.783
  282    H    THR  44           HN       THR  44  -8.107  12.511   3.185
  283    HA   THR  44           HA       THR  44 -10.262  11.088   4.558
  284    HB   THR  44           HB       THR  44  -7.939   9.914   3.013
  285    HG1  THR  44           HG1      THR  44 -10.102   9.652   1.590
  286   HG21  THR  44          HG21      THR  44  -9.314   7.922   2.899
  287   HG22  THR  44          HG22      THR  44 -10.628   8.744   3.738
  288   HG23  THR  44          HG23      THR  44  -9.120   8.402   4.584
  289    H    SER  45           HN       SER  45  -9.970  10.129   6.494
  290    HA   SER  45           HA       SER  45  -7.453  10.604   7.862
  291    HB2  SER  45           HB2      SER  45  -9.597  11.155   8.977
  292    HB3  SER  45           HB1      SER  45 -10.057   9.456   8.905
  293    HG   SER  45           HG       SER  45  -9.130  10.112  10.932
  294    H    ARG  46           HN       ARG  46  -6.135   9.021   8.682
  295    HA   ARG  46           HA       ARG  46  -6.226   6.487   7.313
  296    HB2  ARG  46           HB2      ARG  46  -4.090   7.657   7.626
  297    HB3  ARG  46           HB1      ARG  46  -4.277   7.543   9.372
  298    HG2  ARG  46           HG2      ARG  46  -4.337   5.037   9.074
  299    HG3  ARG  46           HG1      ARG  46  -3.820   5.319   7.413
  300    HD2  ARG  46           HD2      ARG  46  -1.810   6.432   8.208
  301    HD3  ARG  46           HD1      ARG  46  -2.334   6.220   9.878
  302    HE   ARG  46           HE       ARG  46  -1.282   4.169   8.096
  303   HH11  ARG  46          HH11      ARG  46  -2.763   4.952  11.166
  304   HH12  ARG  46          HH12      ARG  46  -2.329   3.445  11.905
  305   HH21  ARG  46          HH21      ARG  46  -0.684   2.181   9.078
  306   HH22  ARG  46          HH22      ARG  46  -1.139   1.880  10.726
  307    HA   PRO  47           HA       PRO  47  -8.436   4.284  10.551
  308    HB2  PRO  47           HB2      PRO  47  -7.096   1.975   9.255
  309    HB3  PRO  47           HB1      PRO  47  -8.809   2.235   9.593
  310    HG2  PRO  47           HG2      PRO  47  -7.846   2.424   7.112
  311    HG3  PRO  47           HG1      PRO  47  -9.133   3.495   7.687
  312    HD2  PRO  47           HD2      PRO  47  -6.230   4.058   7.291
  313    HD3  PRO  47           HD1      PRO  47  -7.636   5.111   7.025
  314    H    GLY  48           HN       GLY  48  -7.804   3.721  12.546
  315    HA2  GLY  48           HA2      GLY  48  -4.991   3.708  13.177
  316    HA3  GLY  48           HA1      GLY  48  -6.321   3.562  14.318
  317    H    THR  49           HN       THR  49  -7.475   1.370  12.664
  318    HA   THR  49           HA       THR  49  -5.484  -0.734  13.027
  319    HB   THR  49           HB       THR  49  -6.789  -0.753  15.091
  320    HG1  THR  49           HG1      THR  49  -6.884  -2.876  15.052
  321   HG21  THR  49          HG21      THR  49  -9.181  -1.139  13.295
  322   HG22  THR  49          HG22      THR  49  -8.838   0.275  14.289
  323   HG23  THR  49          HG23      THR  49  -9.190  -1.275  15.053
  324    H    GLY  50           HN       GLY  50  -5.529  -2.253  11.453
  325    HA2  GLY  50           HA2      GLY  50  -6.300  -3.472   9.647
  326    HA3  GLY  50           HA1      GLY  50  -7.882  -2.744   9.877
  327    H    LEU  51           HN       LEU  51  -4.653  -1.435   9.138
  328    HA   LEU  51           HA       LEU  51  -5.672   0.476   7.305
  329    HB2  LEU  51           HB2      LEU  51  -3.448   0.474   8.623
  330    HB3  LEU  51           HB1      LEU  51  -2.839  -0.545   7.337
  331    HG   LEU  51           HG       LEU  51  -2.250   1.884   7.140
  332   HD11  LEU  51          HD11      LEU  51  -2.167   0.448   5.185
  333   HD12  LEU  51          HD12      LEU  51  -2.731   2.063   4.752
  334   HD13  LEU  51          HD13      LEU  51  -3.883   0.735   4.886
  335   HD21  LEU  51          HD21      LEU  51  -4.366   2.788   7.963
  336   HD22  LEU  51          HD22      LEU  51  -5.176   2.196   6.512
  337   HD23  LEU  51          HD23      LEU  51  -3.936   3.441   6.383
  338    H    ARG  52           HN       ARG  52  -6.291   0.192   5.271
  339    HA   ARG  52           HA       ARG  52  -5.466  -2.279   3.890
  340    HB2  ARG  52           HB2      ARG  52  -8.103  -0.803   3.764
  341    HB3  ARG  52           HB1      ARG  52  -7.676  -2.172   2.748
  342    HG2  ARG  52           HG2      ARG  52  -7.677  -3.661   4.569
  343    HG3  ARG  52           HG1      ARG  52  -7.686  -2.342   5.744
  344    HD2  ARG  52           HD2      ARG  52  -9.919  -2.935   3.806
  345    HD3  ARG  52           HD1      ARG  52  -9.890  -3.457   5.491
  346    HE   ARG  52           HE       ARG  52  -9.582  -0.862   5.824
  347   HH11  ARG  52          HH11      ARG  52 -11.772  -2.562   3.677
  348   HH12  ARG  52          HH12      ARG  52 -12.953  -1.291   3.681
  349   HH21  ARG  52          HH21      ARG  52 -11.122   0.796   5.825
  350   HH22  ARG  52          HH22      ARG  52 -12.578   0.630   4.892
  351    H    CYS  53           HN       CYS  53  -4.657  -2.079   1.881
  352    HA   CYS  53           HA       CYS  53  -4.038   0.505   0.848
  353    HB2  CYS  53           HB2      CYS  53  -2.864  -0.623  -0.877
  354    HB3  CYS  53           HB1      CYS  53  -2.655  -1.620   0.562
  355    H    ARG  54           HN       ARG  54  -4.511   0.887  -1.602
  356    HA   ARG  54           HA       ARG  54  -7.143   1.664  -1.803
  357    HB2  ARG  54           HB2      ARG  54  -5.578   2.723  -3.209
  358    HB3  ARG  54           HB1      ARG  54  -5.025   1.206  -3.887
  359    HG2  ARG  54           HG2      ARG  54  -7.081   0.958  -5.120
  360    HG3  ARG  54           HG1      ARG  54  -7.738   2.411  -4.367
  361    HD2  ARG  54           HD2      ARG  54  -5.251   2.353  -6.071
  362    HD3  ARG  54           HD1      ARG  54  -6.855   2.766  -6.674
  363    HE   ARG  54           HE       ARG  54  -6.536   4.469  -4.608
  364   HH11  ARG  54          HH11      ARG  54  -4.526   3.729  -7.380
  365   HH12  ARG  54          HH12      ARG  54  -3.845   5.322  -7.460
  366   HH21  ARG  54          HH21      ARG  54  -5.662   6.567  -4.735
  367   HH22  ARG  54          HH22      ARG  54  -4.484   6.930  -5.959
  368    H    SER  55           HN       SER  55  -5.663  -1.232  -3.254
  369    HA   SER  55           HA       SER  55  -7.987  -2.110  -4.575
  370    HB2  SER  55           HB2      SER  55  -5.676  -3.787  -3.580
  371    HB3  SER  55           HB1      SER  55  -6.812  -4.216  -4.859
  372    HG   SER  55           HG       SER  55  -5.989  -2.070  -5.781
  373    H    CYS  56           HN       CYS  56  -6.668  -2.947  -1.372
  374    HA   CYS  56           HA       CYS  56  -8.685  -4.893  -0.839
  375    HB2  CYS  56           HB2      CYS  56  -6.752  -3.504   1.018
  376    HB3  CYS  56           HB1      CYS  56  -7.822  -4.812   1.505
  377    H    SER  57           HN       SER  57  -8.399  -1.444  -0.221
  378    HA   SER  57           HA       SER  57 -10.602  -1.424   1.640
  379    HB2  SER  57           HB2      SER  57 -10.334   1.060   1.511
  380    HB3  SER  57           HB1      SER  57  -8.851   0.210   1.941
  381    HG   SER  57           HG       SER  57  -9.240   0.616  -0.769
  382    H    GLY  58           HN       GLY  58 -10.331  -1.467  -1.728
  383    HA2  GLY  58           HA2      GLY  58 -12.899  -0.095  -2.110
  384    HA3  GLY  58           HA1      GLY  58 -11.750  -0.499  -3.378
  385    H    ASP  59           HN       ASP  59 -13.880  -1.256  -4.311
  386    HA   ASP  59           HA       ASP  59 -14.349  -4.049  -3.497
  387    HB2  ASP  59           HB2      ASP  59 -16.286  -2.030  -4.629
  388    HB3  ASP  59           HB1      ASP  59 -16.621  -3.755  -4.596
  389    H    VAL  60           HN       VAL  60 -13.814  -5.525  -4.950
  390    HA   VAL  60           HA       VAL  60 -13.379  -4.653  -7.710
  391    HB   VAL  60           HB       VAL  60 -11.455  -5.771  -6.779
  392   HG11  VAL  60          HG11      VAL  60 -12.506  -7.050  -5.010
  393   HG12  VAL  60          HG12      VAL  60 -11.533  -8.110  -6.028
  394   HG13  VAL  60          HG13      VAL  60 -13.288  -8.090  -6.197
  395   HG21  VAL  60          HG21      VAL  60 -11.905  -6.182  -9.124
  396   HG22  VAL  60          HG22      VAL  60 -12.915  -7.567  -8.709
  397   HG23  VAL  60          HG23      VAL  60 -11.183  -7.610  -8.383
  398    H    THR  61           HN       THR  61 -14.838  -5.092  -9.190
  399    HA   THR  61           HA       THR  61 -16.806  -7.204  -8.632
  400    HB   THR  61           HB       THR  61 -17.091  -4.882 -10.548
  401    HG1  THR  61           HG1      THR  61 -17.593  -5.126  -7.793
  402   HG21  THR  61          HG21      THR  61 -18.523  -6.813 -11.040
  403   HG22  THR  61          HG22      THR  61 -19.470  -5.435 -10.480
  404   HG23  THR  61          HG23      THR  61 -19.137  -6.778  -9.387
  405    HA   PRO  62           HA       PRO  62 -14.605  -9.097 -12.121
  406    HB2  PRO  62           HB2      PRO  62 -15.476 -11.612 -11.639
  407    HB3  PRO  62           HB1      PRO  62 -14.137 -10.883 -10.748
  408    HG2  PRO  62           HG2      PRO  62 -16.991 -11.223  -9.942
  409    HG3  PRO  62           HG1      PRO  62 -15.520 -11.428  -8.973
  410    HD2  PRO  62           HD2      PRO  62 -17.099  -9.200  -8.881
  411    HD3  PRO  62           HD1      PRO  62 -15.363  -9.191  -8.522
  412    H    ALA  63           HN       ALA  63 -15.306  -9.714 -14.134
  413    HA   ALA  63           HA       ALA  63 -18.102  -9.180 -14.691
  414    HB1  ALA  63           HB1      ALA  63 -16.376  -8.151 -16.087
  415    HB2  ALA  63           HB2      ALA  63 -17.431  -9.199 -17.036
  416    HB3  ALA  63           HB3      ALA  63 -15.819  -9.751 -16.579
  417    HA   PRO  64           HA       PRO  64 -18.953 -13.568 -14.665
  418    HB2  PRO  64           HB2      PRO  64 -21.607 -13.384 -15.133
  419    HB3  PRO  64           HB1      PRO  64 -20.891 -13.001 -13.563
  420    HG2  PRO  64           HG2      PRO  64 -21.773 -11.158 -15.746
  421    HG3  PRO  64           HG1      PRO  64 -21.982 -11.001 -13.992
  422    HD2  PRO  64           HD2      PRO  64 -20.043  -9.695 -15.407
  423    HD3  PRO  64           HD1      PRO  64 -19.879 -10.139 -13.697
  424    H    VAL  65           HN       VAL  65 -17.634 -13.523 -16.729
  425    HA   VAL  65           HA       VAL  65 -19.209 -13.532 -19.175
  426    HB   VAL  65           HB       VAL  65 -16.968 -13.993 -20.269
  427   HG11  VAL  65          HG11      VAL  65 -16.184 -11.677 -19.973
  428   HG12  VAL  65          HG12      VAL  65 -17.263 -11.502 -18.590
  429   HG13  VAL  65          HG13      VAL  65 -17.929 -11.763 -20.201
  430   HG21  VAL  65          HG21      VAL  65 -14.964 -13.529 -18.937
  431   HG22  VAL  65          HG22      VAL  65 -15.821 -14.946 -18.336
  432   HG23  VAL  65          HG23      VAL  65 -15.956 -13.408 -17.486
  433    H    GLU  66           HN       GLU  66 -20.364 -15.432 -18.054
  434    HA   GLU  66           HA       GLU  66 -18.967 -17.953 -18.582
  435    HB2  GLU  66           HB2      GLU  66 -19.997 -17.663 -16.346
  436    HB3  GLU  66           HB1      GLU  66 -21.568 -17.487 -17.112
  437    HG2  GLU  66           HG2      GLU  66 -21.426 -19.751 -17.970
  438    HG3  GLU  66           HG1      GLU  66 -19.821 -19.932 -17.266
  Start of MODEL   36
    1    H1   GLY   1           HT1      GLY   1  13.747  -8.144 -29.661
    2    H2   GLY   1           HT2      GLY   1  12.277  -8.891 -29.291
    3    H3   GLY   1           HT3      GLY   1  13.729  -9.717 -29.042
    4    HA2  GLY   1           HA1      GLY   1  14.374  -8.132 -27.343
    5    HA3  GLY   1           HA2      GLY   1  12.859  -7.278 -27.602
    6    H    ALA   2           HN       ALA   2  14.218  -9.009 -25.384
    7    HA   ALA   2           HA       ALA   2  12.050 -10.934 -24.956
    8    HB1  ALA   2           HB1      ALA   2  13.489 -11.951 -23.292
    9    HB2  ALA   2           HB2      ALA   2  14.665 -10.652 -23.484
   10    HB3  ALA   2           HB3      ALA   2  14.357 -11.766 -24.815
   11    H    MET   3           HN       MET   3  12.660  -7.811 -24.245
   12    HA   MET   3           HA       MET   3  11.844  -7.769 -21.489
   13    HB2  MET   3           HB2      MET   3  13.270  -5.995 -22.488
   14    HB3  MET   3           HB1      MET   3  11.923  -5.513 -23.509
   15    HG2  MET   3           HG2      MET   3  10.626  -4.920 -21.533
   16    HG3  MET   3           HG1      MET   3  11.964  -5.419 -20.500
   17    HE1  MET   3           HE1      MET   3  10.570  -2.572 -20.301
   18    HE2  MET   3           HE2      MET   3  11.969  -1.511 -20.148
   19    HE3  MET   3           HE3      MET   3  11.929  -3.045 -19.281
   20    H    GLU   4           HN       GLU   4   9.965  -9.099 -21.723
   21    HA   GLU   4           HA       GLU   4   7.614  -7.605 -22.675
   22    HB2  GLU   4           HB2      GLU   4   6.625  -9.752 -23.396
   23    HB3  GLU   4           HB1      GLU   4   8.085  -9.361 -24.291
   24    HG2  GLU   4           HG2      GLU   4   9.355 -10.964 -23.111
   25    HG3  GLU   4           HG1      GLU   4   8.083 -11.188 -21.911
   26    H    GLY   5           HN       GLY   5   5.589  -9.095 -21.821
   27    HA2  GLY   5           HA2      GLY   5   5.505 -10.589 -19.615
   28    HA3  GLY   5           HA1      GLY   5   5.872  -9.013 -18.928
   29    H    GLN   6           HN       GLN   6   3.957  -8.768 -17.844
   30    HA   GLN   6           HA       GLN   6   1.764  -7.770 -19.381
   31    HB2  GLN   6           HB2      GLN   6   1.301 -10.188 -19.526
   32    HB3  GLN   6           HB1      GLN   6   1.328 -10.298 -17.772
   33    HG2  GLN   6           HG2      GLN   6  -0.942 -10.262 -18.624
   34    HG3  GLN   6           HG1      GLN   6  -0.610  -8.843 -17.633
   35   HE21  GLN   6          HE21      GLN   6  -2.270  -7.674 -18.575
   36   HE22  GLN   6          HE22      GLN   6  -2.168  -7.054 -20.186
   37    H    GLN   7           HN       GLN   7   1.987  -9.326 -16.191
   38    HA   GLN   7           HA       GLN   7   1.462  -6.700 -14.971
   39    HB2  GLN   7           HB2      GLN   7   0.962  -9.486 -13.911
   40    HB3  GLN   7           HB1      GLN   7   0.750  -8.019 -12.968
   41    HG2  GLN   7           HG2      GLN   7  -0.753  -8.714 -15.482
   42    HG3  GLN   7           HG1      GLN   7  -1.365  -8.878 -13.838
   43   HE21  GLN   7          HE21      GLN   7  -1.813  -7.011 -12.641
   44   HE22  GLN   7          HE22      GLN   7  -2.081  -5.488 -13.415
   45    H    ASN   8           HN       ASN   8   3.825  -6.427 -15.448
   46    HA   ASN   8           HA       ASN   8   5.632  -8.037 -13.855
   47    HB2  ASN   8           HB2      ASN   8   6.100  -5.798 -15.828
   48    HB3  ASN   8           HB1      ASN   8   7.396  -6.576 -14.929
   49   HD21  ASN   8          HD21      ASN   8   8.349  -7.282 -16.840
   50   HD22  ASN   8          HD22      ASN   8   7.702  -8.604 -17.749
   51    H    LEU   9           HN       LEU   9   4.314  -7.100 -11.946
   52    HA   LEU   9           HA       LEU   9   5.241  -4.515 -11.045
   53    HB2  LEU   9           HB2      LEU   9   3.641  -6.682  -9.679
   54    HB3  LEU   9           HB1      LEU   9   4.117  -5.199  -8.881
   55    HG   LEU   9           HG       LEU   9   1.888  -4.862  -9.520
   56   HD11  LEU   9          HD11      LEU   9   1.956  -3.066 -11.138
   57   HD12  LEU   9          HD12      LEU   9   3.540  -3.599 -11.696
   58   HD13  LEU   9          HD13      LEU   9   3.348  -2.973 -10.059
   59   HD21  LEU   9          HD21      LEU   9   1.659  -6.754 -11.033
   60   HD22  LEU   9          HD22      LEU   9   2.579  -5.893 -12.265
   61   HD23  LEU   9          HD23      LEU   9   1.007  -5.283 -11.753
   62    H    ALA  10           HN       ALA  10   7.134  -4.186 -10.120
   63    HA   ALA  10           HA       ALA  10   9.011  -6.200  -9.635
   64    HB1  ALA  10           HB1      ALA  10  10.355  -4.461  -8.572
   65    HB2  ALA  10           HB2      ALA  10   8.946  -3.402  -8.508
   66    HB3  ALA  10           HB3      ALA  10   9.625  -3.872 -10.065
   67    HA   PRO  11           HA       PRO  11   7.672  -7.686  -5.611
   68    HB2  PRO  11           HB2      PRO  11  10.370  -8.861  -5.511
   69    HB3  PRO  11           HB1      PRO  11   8.797  -9.658  -5.437
   70    HG2  PRO  11           HG2      PRO  11  10.375  -9.852  -7.599
   71    HG3  PRO  11           HG1      PRO  11   8.607  -9.790  -7.732
   72    HD2  PRO  11           HD2      PRO  11  10.621  -7.621  -8.196
   73    HD3  PRO  11           HD1      PRO  11   9.152  -8.015  -9.115
   74    H    GLY  12           HN       GLY  12   7.932  -5.318  -5.048
   75    HA2  GLY  12           HA2      GLY  12   9.741  -5.173  -2.797
   76    HA3  GLY  12           HA1      GLY  12  10.058  -4.000  -4.068
   77    H    ALA  13           HN       ALA  13   8.710  -4.207  -1.186
   78    HA   ALA  13           HA       ALA  13   6.189  -2.893  -1.719
   79    HB1  ALA  13           HB1      ALA  13   6.380  -4.511   0.114
   80    HB2  ALA  13           HB2      ALA  13   5.898  -2.920   0.701
   81    HB3  ALA  13           HB3      ALA  13   7.561  -3.468   0.907
   82    H    ARG  14           HN       ARG  14   6.688  -0.938  -2.663
   83    HA   ARG  14           HA       ARG  14   7.870   1.066  -0.870
   84    HB2  ARG  14           HB2      ARG  14   8.555   0.741  -3.802
   85    HB3  ARG  14           HB1      ARG  14   9.070   2.076  -2.785
   86    HG2  ARG  14           HG2      ARG  14  10.406   0.586  -1.435
   87    HG3  ARG  14           HG1      ARG  14   9.816  -0.809  -2.343
   88    HD2  ARG  14           HD2      ARG  14  10.820   0.097  -4.380
   89    HD3  ARG  14           HD1      ARG  14  11.408   1.486  -3.473
   90    HE   ARG  14           HE       ARG  14  12.411  -0.756  -2.201
   91   HH11  ARG  14          HH11      ARG  14  12.618   0.694  -5.378
   92   HH12  ARG  14          HH12      ARG  14  14.224   0.114  -5.681
   93   HH21  ARG  14          HH21      ARG  14  14.538  -1.524  -2.592
   94   HH22  ARG  14          HH22      ARG  14  15.322  -1.138  -4.092
   95    H    CYS  15           HN       CYS  15   7.131   3.228  -1.291
   96    HA   CYS  15           HA       CYS  15   4.491   3.383  -2.392
   97    HB2  CYS  15           HB2      CYS  15   5.162   4.790  -0.477
   98    HB3  CYS  15           HB1      CYS  15   6.363   5.592  -1.486
   99    H    GLY  16           HN       GLY  16   4.277   3.195  -4.539
  100    HA2  GLY  16           HA2      GLY  16   6.293   3.676  -6.423
  101    HA3  GLY  16           HA1      GLY  16   4.586   3.498  -6.792
  102    H    VAL  17           HN       VAL  17   3.997   5.844  -5.020
  103    HA   VAL  17           HA       VAL  17   4.103   7.856  -7.029
  104    HB   VAL  17           HB       VAL  17   3.435   8.165  -4.096
  105   HG11  VAL  17          HG11      VAL  17   3.854  10.292  -5.201
  106   HG12  VAL  17          HG12      VAL  17   2.141  10.115  -4.817
  107   HG13  VAL  17          HG13      VAL  17   2.706   9.873  -6.470
  108   HG21  VAL  17          HG21      VAL  17   1.614   7.553  -6.422
  109   HG22  VAL  17          HG22      VAL  17   1.097   7.886  -4.769
  110   HG23  VAL  17          HG23      VAL  17   2.051   6.445  -5.120
  111    H    CYS  18           HN       CYS  18   6.102   7.025  -4.307
  112    HA   CYS  18           HA       CYS  18   7.526   9.587  -4.544
  113    HB2  CYS  18           HB2      CYS  18   7.299   7.717  -2.183
  114    HB3  CYS  18           HB1      CYS  18   8.265   9.188  -2.211
  115    H    GLY  19           HN       GLY  19   7.840   6.228  -5.018
  116    HA2  GLY  19           HA2      GLY  19   9.632   4.877  -5.515
  117    HA3  GLY  19           HA1      GLY  19  10.561   6.345  -5.804
  118    H    ASP  20           HN       ASP  20   8.949   5.673  -2.802
  119    HA   ASP  20           HA       ASP  20  11.487   5.236  -1.429
  120    HB2  ASP  20           HB2      ASP  20  11.411   7.611  -1.419
  121    HB3  ASP  20           HB1      ASP  20   9.683   7.632  -1.096
  122    H    GLY  21           HN       GLY  21  11.268   4.302   0.618
  123    HA2  GLY  21           HA2      GLY  21   8.514   3.573   1.394
  124    HA3  GLY  21           HA1      GLY  21   9.843   2.424   1.461
  125    H    THR  22           HN       THR  22  10.379   5.744   2.310
  126    HA   THR  22           HA       THR  22  11.129   4.978   4.991
  127    HB   THR  22           HB       THR  22  11.022   7.738   3.756
  128    HG1  THR  22           HG1      THR  22  12.534   6.784   2.557
  129   HG21  THR  22          HG21      THR  22  12.518   6.699   6.168
  130   HG22  THR  22          HG22      THR  22  11.108   7.761   6.202
  131   HG23  THR  22          HG23      THR  22  12.628   8.332   5.509
  132    H    ASP  23           HN       ASP  23   9.898   5.145   6.770
  133    HA   ASP  23           HA       ASP  23   8.080   5.469   8.095
  134    HB2  ASP  23           HB2      ASP  23   8.928   7.823   7.908
  135    HB3  ASP  23           HB1      ASP  23   7.809   8.078   6.577
  136    H    VAL  24           HN       VAL  24   7.528   3.746   6.293
  137    HA   VAL  24           HA       VAL  24   5.296   4.641   4.637
  138    HB   VAL  24           HB       VAL  24   7.359   3.426   3.711
  139   HG11  VAL  24          HG11      VAL  24   5.896   1.032   4.780
  140   HG12  VAL  24          HG12      VAL  24   7.444   1.640   5.366
  141   HG13  VAL  24          HG13      VAL  24   7.308   1.012   3.724
  142   HG21  VAL  24          HG21      VAL  24   5.377   3.890   2.415
  143   HG22  VAL  24          HG22      VAL  24   4.614   2.428   3.040
  144   HG23  VAL  24          HG23      VAL  24   6.040   2.309   2.009
  145    H    LEU  25           HN       LEU  25   3.335   3.526   4.570
  146    HA   LEU  25           HA       LEU  25   2.676   2.068   7.002
  147    HB2  LEU  25           HB2      LEU  25   0.991   3.158   4.746
  148    HB3  LEU  25           HB1      LEU  25   0.335   2.205   6.067
  149    HG   LEU  25           HG       LEU  25   1.739   4.859   6.388
  150   HD11  LEU  25          HD11      LEU  25  -1.192   4.172   6.492
  151   HD12  LEU  25          HD12      LEU  25  -0.387   5.070   5.205
  152   HD13  LEU  25          HD13      LEU  25  -0.481   5.750   6.830
  153   HD21  LEU  25          HD21      LEU  25   1.961   3.463   8.357
  154   HD22  LEU  25          HD22      LEU  25   0.232   3.122   8.341
  155   HD23  LEU  25          HD23      LEU  25   0.804   4.757   8.669
  156    H    ARG  26           HN       ARG  26   1.899  -0.015   7.020
  157    HA   ARG  26           HA       ARG  26   2.425  -1.551   4.567
  158    HB2  ARG  26           HB2      ARG  26   3.900  -2.060   6.502
  159    HB3  ARG  26           HB1      ARG  26   2.481  -2.500   7.440
  160    HG2  ARG  26           HG2      ARG  26   3.557  -4.486   6.636
  161    HG3  ARG  26           HG1      ARG  26   2.005  -4.296   5.820
  162    HD2  ARG  26           HD2      ARG  26   3.689  -4.970   4.222
  163    HD3  ARG  26           HD1      ARG  26   3.176  -3.319   3.880
  164    HE   ARG  26           HE       ARG  26   5.267  -2.662   5.147
  165   HH11  ARG  26          HH11      ARG  26   5.040  -5.728   3.455
  166   HH12  ARG  26          HH12      ARG  26   6.727  -5.767   3.053
  167   HH21  ARG  26          HH21      ARG  26   7.485  -2.731   4.623
  168   HH22  ARG  26          HH22      ARG  26   8.113  -4.068   3.716
  169    H    CYS  27           HN       CYS  27   0.781  -2.638   3.668
  170    HA   CYS  27           HA       CYS  27  -1.854  -2.376   4.680
  171    HB2  CYS  27           HB2      CYS  27  -0.953  -2.813   2.218
  172    HB3  CYS  27           HB1      CYS  27  -1.211  -4.509   2.657
  173    H    THR  28           HN       THR  28  -3.057  -3.711   5.933
  174    HA   THR  28           HA       THR  28  -1.669  -5.962   7.162
  175    HB   THR  28           HB       THR  28  -3.582  -5.977   8.744
  176    HG1  THR  28           HG1      THR  28  -5.341  -4.933   8.229
  177   HG21  THR  28          HG21      THR  28  -2.306  -3.269   8.336
  178   HG22  THR  28          HG22      THR  28  -1.620  -4.616   9.248
  179   HG23  THR  28          HG23      THR  28  -3.089  -3.822   9.816
  180    H    HIS  29           HN       HIS  29  -3.920  -5.389   4.712
  181    HA   HIS  29           HA       HIS  29  -5.115  -8.045   4.969
  182    HB2  HIS  29           HB2      HIS  29  -5.844  -5.653   3.288
  183    HB3  HIS  29           HB1      HIS  29  -6.571  -7.237   3.039
  184    HD1  HIS  29           HD1      HIS  29  -8.286  -8.037   4.752
  185    HD2  HIS  29           HD2      HIS  29  -6.641  -4.333   5.659
  186    HE1  HIS  29           HE1      HIS  29  -9.708  -7.103   6.599
  187    HE2  HIS  29           HE2      HIS  29  -8.795  -4.795   7.014
  188    H    CYS  30           HN       CYS  30  -2.716  -6.372   3.218
  189    HA   CYS  30           HA       CYS  30  -2.079  -8.803   1.797
  190    HB2  CYS  30           HB2      CYS  30  -2.166  -7.980  -0.394
  191    HB3  CYS  30           HB1      CYS  30  -3.641  -7.340   0.319
  192    H    ALA  31           HN       ALA  31  -0.064  -7.892   0.220
  193    HA   ALA  31           HA       ALA  31   1.780  -6.732   2.169
  194    HB1  ALA  31           HB1      ALA  31   2.401  -8.272  -0.352
  195    HB2  ALA  31           HB2      ALA  31   2.385  -8.947   1.276
  196    HB3  ALA  31           HB3      ALA  31   3.570  -7.714   0.845
  197    H    ALA  32           HN       ALA  32   2.094  -4.636   1.932
  198    HA   ALA  32           HA       ALA  32   2.906  -3.449  -0.506
  199    HB1  ALA  32           HB1      ALA  32   0.515  -3.628  -1.031
  200    HB2  ALA  32           HB2      ALA  32   1.024  -1.947  -0.880
  201    HB3  ALA  32           HB3      ALA  32   0.130  -2.720   0.429
  202    H    ALA  33           HN       ALA  33   3.972  -1.622  -0.096
  203    HA   ALA  33           HA       ALA  33   3.610  -0.340   2.536
  204    HB1  ALA  33           HB1      ALA  33   5.769  -1.461   2.395
  205    HB2  ALA  33           HB2      ALA  33   5.971   0.289   2.430
  206    HB3  ALA  33           HB3      ALA  33   6.138  -0.587   0.909
  207    H    PHE  34           HN       PHE  34   2.594   1.533   2.260
  208    HA   PHE  34           HA       PHE  34   3.458   3.326   0.128
  209    HB2  PHE  34           HB2      PHE  34   1.206   3.736  -0.677
  210    HB3  PHE  34           HB1      PHE  34   1.554   2.017  -0.807
  211    HD1  PHE  34           HD2      PHE  34   0.636   0.473   0.978
  212    HD2  PHE  34           HD1      PHE  34  -0.649   4.505   0.528
  213    HE1  PHE  34           HE2      PHE  34  -1.400  -0.039   2.256
  214    HE2  PHE  34           HE1      PHE  34  -2.689   3.999   1.806
  215    HZ   PHE  34           HZ       PHE  34  -3.070   1.745   2.673
  216    H    HIS  35           HN       HIS  35   2.857   5.533   0.525
  217    HA   HIS  35           HA       HIS  35   2.280   6.110   3.319
  218    HB2  HIS  35           HB2      HIS  35   2.702   8.123   1.098
  219    HB3  HIS  35           HB1      HIS  35   2.819   8.403   2.831
  220    HD2  HIS  35           HD2      HIS  35   4.968   6.179   3.684
  221    HE1  HIS  35           HE1      HIS  35   7.325   7.791   0.553
  222    HE2  HIS  35           HE2      HIS  35   7.373   6.569   2.784
  223    H    TRP  36           HN       TRP  36   0.307   6.767   4.034
  224    HA   TRP  36           HA       TRP  36  -1.955   6.028   2.676
  225    HB2  TRP  36           HB2      TRP  36  -1.837   6.486   5.110
  226    HB3  TRP  36           HB1      TRP  36  -1.815   8.212   4.764
  227    HD1  TRP  36           HD1      TRP  36  -4.113   9.375   4.600
  228    HE1  TRP  36           HE1      TRP  36  -6.559   8.579   4.534
  229    HE3  TRP  36           HE3      TRP  36  -3.309   4.344   4.182
  230    HZ2  TRP  36           HZ2      TRP  36  -7.961   6.129   4.330
  231    HZ3  TRP  36           HZ3      TRP  36  -5.254   2.843   4.057
  232    HH2  TRP  36           HH2      TRP  36  -7.531   3.720   4.130
  233    H    ARG  37           HN       ARG  37  -0.714   9.342   2.963
  234    HA   ARG  37           HA       ARG  37  -2.888  10.527   1.594
  235    HB2  ARG  37           HB2      ARG  37  -0.132  11.681   2.021
  236    HB3  ARG  37           HB1      ARG  37  -1.613  12.574   1.704
  237    HG2  ARG  37           HG2      ARG  37  -2.527  11.771   3.847
  238    HG3  ARG  37           HG1      ARG  37  -0.993  10.952   4.164
  239    HD2  ARG  37           HD2      ARG  37  -1.387  13.921   3.790
  240    HD3  ARG  37           HD1      ARG  37  -1.094  13.096   5.320
  241    HE   ARG  37           HE       ARG  37   0.986  12.448   3.571
  242   HH11  ARG  37          HH11      ARG  37  -0.257  15.248   5.264
  243   HH12  ARG  37          HH12      ARG  37   1.289  16.026   5.373
  244   HH21  ARG  37          HH21      ARG  37   3.018  13.475   3.700
  245   HH22  ARG  37          HH22      ARG  37   3.148  15.025   4.469
  246    H    CYS  38           HN       CYS  38  -0.178   8.855   0.419
  247    HA   CYS  38           HA       CYS  38   0.014  10.257  -2.089
  248    HB2  CYS  38           HB2      CYS  38   1.151   7.569  -1.309
  249    HB3  CYS  38           HB1      CYS  38   1.632   8.549  -2.691
  250    H    HIS  39           HN       HIS  39  -1.858   7.696  -0.780
  251    HA   HIS  39           HA       HIS  39  -2.854   7.005  -3.463
  252    HB2  HIS  39           HB2      HIS  39  -2.921   5.538  -0.840
  253    HB3  HIS  39           HB1      HIS  39  -4.063   5.144  -2.117
  254    HD1  HIS  39           HD1      HIS  39  -2.496   2.840  -1.565
  255    HD2  HIS  39           HD2      HIS  39  -0.914   5.851  -3.943
  256    HE1  HIS  39           HE1      HIS  39  -0.692   1.744  -2.915
  257    HE2  HIS  39           HE2      HIS  39   0.084   3.530  -4.509
  258    H    PHE  40           HN       PHE  40  -3.852   7.993  -0.230
  259    HA   PHE  40           HA       PHE  40  -6.542   8.554  -1.280
  260    HB2  PHE  40           HB2      PHE  40  -5.636   8.031   1.562
  261    HB3  PHE  40           HB1      PHE  40  -7.283   8.429   1.085
  262    HD1  PHE  40           HD1      PHE  40  -4.676   5.855   1.038
  263    HD2  PHE  40           HD2      PHE  40  -8.696   6.805   0.019
  264    HE1  PHE  40           HE1      PHE  40  -5.146   3.466   0.684
  265    HE2  PHE  40           HE2      PHE  40  -9.175   4.417  -0.337
  266    HZ   PHE  40           HZ       PHE  40  -7.397   2.745  -0.004
  267    HA   PRO  41           HA       PRO  41  -5.729  12.887  -0.724
  268    HB2  PRO  41           HB2      PRO  41  -8.322  13.708  -0.411
  269    HB3  PRO  41           HB1      PRO  41  -7.597  13.340  -1.980
  270    HG2  PRO  41           HG2      PRO  41  -9.343  11.633  -0.252
  271    HG3  PRO  41           HG1      PRO  41  -9.386  11.860  -2.010
  272    HD2  PRO  41           HD2      PRO  41  -8.268   9.690  -0.894
  273    HD3  PRO  41           HD1      PRO  41  -7.606  10.427  -2.365
  274    H    ALA  42           HN       ALA  42  -5.979  14.532   0.874
  275    HA   ALA  42           HA       ALA  42  -5.488  13.523   3.455
  276    HB1  ALA  42           HB1      ALA  42  -4.478  15.577   2.560
  277    HB2  ALA  42           HB2      ALA  42  -5.228  15.821   4.137
  278    HB3  ALA  42           HB3      ALA  42  -6.045  16.376   2.677
  279    H    GLY  43           HN       GLY  43  -8.438  14.292   1.938
  280    HA2  GLY  43           HA2      GLY  43  -9.938  14.917   4.296
  281    HA3  GLY  43           HA1      GLY  43 -10.599  14.426   2.741
  282    H    THR  44           HN       THR  44  -8.998  11.989   2.651
  283    HA   THR  44           HA       THR  44 -10.797  10.264   4.059
  284    HB   THR  44           HB       THR  44  -8.256   9.578   2.567
  285    HG1  THR  44           HG1      THR  44 -10.557  10.572   1.664
  286   HG21  THR  44          HG21      THR  44  -9.096   7.783   4.037
  287   HG22  THR  44          HG22      THR  44  -9.229   7.361   2.331
  288   HG23  THR  44          HG23      THR  44 -10.660   7.869   3.226
  289    H    SER  45           HN       SER  45 -10.485   9.243   5.977
  290    HA   SER  45           HA       SER  45  -8.208  10.147   7.536
  291    HB2  SER  45           HB2      SER  45  -9.529   9.006   9.417
  292    HB3  SER  45           HB1      SER  45 -10.260  10.424   8.667
  293    HG   SER  45           HG       SER  45 -11.901   9.143   8.386
  294    H    ARG  46           HN       ARG  46  -6.587   8.923   8.240
  295    HA   ARG  46           HA       ARG  46  -6.185   6.311   7.142
  296    HB2  ARG  46           HB2      ARG  46  -4.323   7.863   7.435
  297    HB3  ARG  46           HB1      ARG  46  -4.599   7.903   9.170
  298    HG2  ARG  46           HG2      ARG  46  -3.988   5.555   9.338
  299    HG3  ARG  46           HG1      ARG  46  -3.758   5.482   7.589
  300    HD2  ARG  46           HD2      ARG  46  -1.625   5.733   8.743
  301    HD3  ARG  46           HD1      ARG  46  -1.977   7.143   7.747
  302    HE   ARG  46           HE       ARG  46  -2.826   7.453  10.468
  303   HH11  ARG  46          HH11      ARG  46  -0.110   7.723   8.283
  304   HH12  ARG  46          HH12      ARG  46   0.737   8.869   9.270
  305   HH21  ARG  46          HH21      ARG  46  -1.710   8.960  11.779
  306   HH22  ARG  46          HH22      ARG  46  -0.166   9.561  11.263
  307    HA   PRO  47           HA       PRO  47  -8.520   4.503  10.483
  308    HB2  PRO  47           HB2      PRO  47  -8.472   1.949   9.586
  309    HB3  PRO  47           HB1      PRO  47  -9.511   3.191   8.880
  310    HG2  PRO  47           HG2      PRO  47  -6.884   2.141   7.910
  311    HG3  PRO  47           HG1      PRO  47  -8.347   2.528   6.985
  312    HD2  PRO  47           HD2      PRO  47  -6.195   4.188   7.133
  313    HD3  PRO  47           HD1      PRO  47  -7.857   4.771   6.911
  314    H    GLY  48           HN       GLY  48  -7.941   3.756  12.419
  315    HA2  GLY  48           HA2      GLY  48  -5.241   2.693  12.771
  316    HA3  GLY  48           HA1      GLY  48  -6.331   3.216  14.049
  317    H    THR  49           HN       THR  49  -8.170   1.440  12.050
  318    HA   THR  49           HA       THR  49  -7.540  -1.097  13.397
  319    HB   THR  49           HB       THR  49 -10.096  -1.509  12.988
  320    HG1  THR  49           HG1      THR  49 -10.337   1.235  13.491
  321   HG21  THR  49          HG21      THR  49 -10.599  -0.593  15.219
  322   HG22  THR  49          HG22      THR  49  -9.074   0.291  15.183
  323   HG23  THR  49          HG23      THR  49  -9.071  -1.471  15.191
  324    H    GLY  50           HN       GLY  50  -6.243  -1.659  11.557
  325    HA2  GLY  50           HA2      GLY  50  -6.171  -3.213   9.793
  326    HA3  GLY  50           HA1      GLY  50  -7.864  -2.879   9.461
  327    H    LEU  51           HN       LEU  51  -4.578  -1.814   8.971
  328    HA   LEU  51           HA       LEU  51  -5.311   0.394   7.279
  329    HB2  LEU  51           HB2      LEU  51  -3.130  -0.030   8.695
  330    HB3  LEU  51           HB1      LEU  51  -2.605  -0.895   7.268
  331    HG   LEU  51           HG       LEU  51  -1.746   1.411   7.361
  332   HD11  LEU  51          HD11      LEU  51  -2.028   0.349   5.193
  333   HD12  LEU  51          HD12      LEU  51  -2.341   2.082   5.096
  334   HD13  LEU  51          HD13      LEU  51  -3.687   0.942   5.107
  335   HD21  LEU  51          HD21      LEU  51  -3.218   3.305   7.075
  336   HD22  LEU  51          HD22      LEU  51  -3.659   2.415   8.532
  337   HD23  LEU  51          HD23      LEU  51  -4.626   2.245   7.067
  338    H    ARG  52           HN       ARG  52  -5.867   0.236   5.187
  339    HA   ARG  52           HA       ARG  52  -5.025  -2.148   3.711
  340    HB2  ARG  52           HB2      ARG  52  -7.238  -2.525   2.850
  341    HB3  ARG  52           HB1      ARG  52  -7.319  -2.490   4.604
  342    HG2  ARG  52           HG2      ARG  52  -8.065  -0.114   4.430
  343    HG3  ARG  52           HG1      ARG  52  -8.143  -0.360   2.682
  344    HD2  ARG  52           HD2      ARG  52  -9.732  -2.203   3.031
  345    HD3  ARG  52           HD1      ARG  52  -9.690  -1.889   4.766
  346    HE   ARG  52           HE       ARG  52 -10.381   0.504   3.592
  347   HH11  ARG  52          HH11      ARG  52 -11.684  -2.735   3.725
  348   HH12  ARG  52          HH12      ARG  52 -13.326  -2.226   3.515
  349   HH21  ARG  52          HH21      ARG  52 -12.548   1.188   3.298
  350   HH22  ARG  52          HH22      ARG  52 -13.820   0.009   3.274
  351    H    CYS  53           HN       CYS  53  -4.411  -1.802   1.702
  352    HA   CYS  53           HA       CYS  53  -4.098   0.844   0.713
  353    HB2  CYS  53           HB2      CYS  53  -2.968  -0.191  -1.146
  354    HB3  CYS  53           HB1      CYS  53  -2.500  -1.047   0.319
  355    H    ARG  54           HN       ARG  54  -4.740   1.163  -1.810
  356    HA   ARG  54           HA       ARG  54  -7.546   1.455  -1.690
  357    HB2  ARG  54           HB2      ARG  54  -7.409   2.239  -4.032
  358    HB3  ARG  54           HB1      ARG  54  -6.269   3.042  -2.964
  359    HG2  ARG  54           HG2      ARG  54  -4.445   1.829  -3.855
  360    HG3  ARG  54           HG1      ARG  54  -5.516   0.728  -4.723
  361    HD2  ARG  54           HD2      ARG  54  -4.452   2.469  -6.152
  362    HD3  ARG  54           HD1      ARG  54  -6.213   2.461  -6.206
  363    HE   ARG  54           HE       ARG  54  -6.043   4.360  -4.548
  364   HH11  ARG  54          HH11      ARG  54  -3.491   3.693  -6.847
  365   HH12  ARG  54          HH12      ARG  54  -3.002   5.352  -6.979
  366   HH21  ARG  54          HH21      ARG  54  -5.389   6.547  -4.704
  367   HH22  ARG  54          HH22      ARG  54  -4.074   6.969  -5.759
  368    H    SER  55           HN       SER  55  -5.509  -0.972  -3.194
  369    HA   SER  55           HA       SER  55  -7.497  -2.266  -4.695
  370    HB2  SER  55           HB2      SER  55  -5.101  -2.750  -4.957
  371    HB3  SER  55           HB1      SER  55  -5.054  -3.435  -3.335
  372    HG   SER  55           HG       SER  55  -6.112  -5.184  -4.013
  373    H    CYS  56           HN       CYS  56  -6.460  -2.620  -1.349
  374    HA   CYS  56           HA       CYS  56  -8.289  -4.722  -0.734
  375    HB2  CYS  56           HB2      CYS  56  -6.543  -2.946   0.946
  376    HB3  CYS  56           HB1      CYS  56  -7.621  -4.138   1.657
  377    H    SER  57           HN       SER  57  -8.487  -1.218  -0.622
  378    HA   SER  57           HA       SER  57 -10.618  -1.168   1.286
  379    HB2  SER  57           HB2      SER  57 -10.803   1.259   0.557
  380    HB3  SER  57           HB1      SER  57  -9.233   0.765   1.189
  381    HG   SER  57           HG       SER  57  -9.992   1.222  -1.498
  382    H    GLY  58           HN       GLY  58 -10.445  -1.779  -2.033
  383    HA2  GLY  58           HA2      GLY  58 -13.389  -1.714  -2.162
  384    HA3  GLY  58           HA1      GLY  58 -12.400  -1.227  -3.536
  385    H    ASP  59           HN       ASP  59 -13.502  -2.955  -4.717
  386    HA   ASP  59           HA       ASP  59 -12.242  -5.546  -4.127
  387    HB2  ASP  59           HB2      ASP  59 -14.141  -6.700  -5.056
  388    HB3  ASP  59           HB1      ASP  59 -14.727  -5.574  -3.839
  389    H    VAL  60           HN       VAL  60 -11.018  -6.407  -5.667
  390    HA   VAL  60           HA       VAL  60 -10.789  -4.948  -8.190
  391    HB   VAL  60           HB       VAL  60  -8.654  -6.293  -8.422
  392   HG11  VAL  60          HG11      VAL  60  -8.665  -3.957  -7.718
  393   HG12  VAL  60          HG12      VAL  60  -7.409  -4.861  -6.873
  394   HG13  VAL  60          HG13      VAL  60  -8.910  -4.457  -6.044
  395   HG21  VAL  60          HG21      VAL  60  -7.714  -7.272  -6.389
  396   HG22  VAL  60          HG22      VAL  60  -9.211  -8.083  -6.848
  397   HG23  VAL  60          HG23      VAL  60  -9.209  -6.918  -5.523
  398    H    THR  61           HN       THR  61 -13.016  -6.498  -7.997
  399    HA   THR  61           HA       THR  61 -12.647  -9.166  -8.914
  400    HB   THR  61           HB       THR  61 -15.187  -7.571  -9.187
  401    HG1  THR  61           HG1      THR  61 -15.065  -7.296  -7.088
  402   HG21  THR  61          HG21      THR  61 -16.226  -9.759  -8.722
  403   HG22  THR  61          HG22      THR  61 -14.623 -10.489  -8.636
  404   HG23  THR  61          HG23      THR  61 -15.202  -9.809 -10.157
  405    HA   PRO  62           HA       PRO  62 -12.353  -7.927 -13.240
  406    HB2  PRO  62           HB2      PRO  62 -11.291 -10.226 -14.137
  407    HB3  PRO  62           HB1      PRO  62 -10.322  -9.042 -13.252
  408    HG2  PRO  62           HG2      PRO  62 -11.497 -11.612 -12.313
  409    HG3  PRO  62           HG1      PRO  62  -9.952 -10.861 -11.885
  410    HD2  PRO  62           HD2      PRO  62 -12.274 -10.774 -10.352
  411    HD3  PRO  62           HD1      PRO  62 -10.886  -9.686 -10.179
  412    H    ALA  63           HN       ALA  63 -13.802  -8.228 -14.862
  413    HA   ALA  63           HA       ALA  63 -16.065  -9.927 -14.378
  414    HB1  ALA  63           HB1      ALA  63 -15.394  -8.239 -16.788
  415    HB2  ALA  63           HB2      ALA  63 -16.341  -7.719 -15.395
  416    HB3  ALA  63           HB3      ALA  63 -16.953  -8.991 -16.453
  417    HA   PRO  64           HA       PRO  64 -14.183 -13.435 -16.364
  418    HB2  PRO  64           HB2      PRO  64 -16.359 -15.066 -16.306
  419    HB3  PRO  64           HB1      PRO  64 -15.352 -14.747 -14.890
  420    HG2  PRO  64           HG2      PRO  64 -17.971 -13.525 -15.666
  421    HG3  PRO  64           HG1      PRO  64 -17.421 -14.071 -14.071
  422    HD2  PRO  64           HD2      PRO  64 -17.411 -11.467 -14.802
  423    HD3  PRO  64           HD1      PRO  64 -16.203 -12.150 -13.696
  424    H    VAL  65           HN       VAL  65 -13.936 -12.415 -18.400
  425    HA   VAL  65           HA       VAL  65 -16.137 -12.584 -20.288
  426    HB   VAL  65           HB       VAL  65 -14.517 -11.582 -21.905
  427   HG11  VAL  65          HG11      VAL  65 -14.900 -10.113 -19.299
  428   HG12  VAL  65          HG12      VAL  65 -16.036 -10.171 -20.647
  429   HG13  VAL  65          HG13      VAL  65 -14.478  -9.365 -20.841
  430   HG21  VAL  65          HG21      VAL  65 -12.414 -10.658 -21.033
  431   HG22  VAL  65          HG22      VAL  65 -12.442 -12.420 -20.948
  432   HG23  VAL  65          HG23      VAL  65 -12.709 -11.462 -19.490
  433    H    GLU  66           HN       GLU  66 -16.107 -13.817 -22.160
  434    HA   GLU  66           HA       GLU  66 -14.638 -16.308 -21.894
  435    HB2  GLU  66           HB2      GLU  66 -16.809 -15.459 -23.817
  436    HB3  GLU  66           HB1      GLU  66 -16.127 -17.076 -23.720
  437    HG2  GLU  66           HG2      GLU  66 -17.527 -15.707 -21.438
  438    HG3  GLU  66           HG1      GLU  66 -18.319 -16.792 -22.578
  Start of MODEL   37
    1    H1   GLY   1           HT1      GLY   1  20.592   3.635  14.084
    2    H2   GLY   1           HT2      GLY   1  21.982   2.771  13.668
    3    H3   GLY   1           HT3      GLY   1  20.486   2.326  13.024
    4    HA2  GLY   1           HA1      GLY   1  20.336   4.371  11.797
    5    HA3  GLY   1           HA2      GLY   1  21.850   4.904  12.508
    6    H    ALA   2           HN       ALA   2  23.778   3.569  12.042
    7    HA   ALA   2           HA       ALA   2  23.665   2.737   9.232
    8    HB1  ALA   2           HB1      ALA   2  25.179   4.576   9.727
    9    HB2  ALA   2           HB2      ALA   2  26.080   3.154   9.201
   10    HB3  ALA   2           HB3      ALA   2  26.023   3.580  10.912
   11    H    MET   3           HN       MET   3  22.695   0.679  10.258
   12    HA   MET   3           HA       MET   3  24.936  -1.174  10.735
   13    HB2  MET   3           HB2      MET   3  22.204  -1.272  12.022
   14    HB3  MET   3           HB1      MET   3  23.423  -2.529  12.160
   15    HG2  MET   3           HG2      MET   3  24.924  -0.941  13.264
   16    HG3  MET   3           HG1      MET   3  23.682   0.304  13.141
   17    HE1  MET   3           HE1      MET   3  23.671  -0.475  16.965
   18    HE2  MET   3           HE2      MET   3  23.747   0.789  15.737
   19    HE3  MET   3           HE3      MET   3  25.056  -0.384  15.876
   20    H    GLU   4           HN       GLU   4  23.322  -0.339   8.322
   21    HA   GLU   4           HA       GLU   4  21.905  -2.788   7.661
   22    HB2  GLU   4           HB2      GLU   4  22.323  -0.248   6.079
   23    HB3  GLU   4           HB1      GLU   4  21.381  -1.623   5.523
   24    HG2  GLU   4           HG2      GLU   4  20.790   0.075   7.936
   25    HG3  GLU   4           HG1      GLU   4  19.941   0.117   6.392
   26    H    GLY   5           HN       GLY   5  24.077  -3.896   7.962
   27    HA2  GLY   5           HA2      GLY   5  26.026  -3.620   5.880
   28    HA3  GLY   5           HA1      GLY   5  25.938  -4.922   7.056
   29    H    GLN   6           HN       GLN   6  23.141  -5.509   6.313
   30    HA   GLN   6           HA       GLN   6  23.723  -7.107   3.945
   31    HB2  GLN   6           HB2      GLN   6  21.346  -7.150   5.816
   32    HB3  GLN   6           HB1      GLN   6  21.605  -8.263   4.479
   33    HG2  GLN   6           HG2      GLN   6  23.585  -9.140   5.542
   34    HG3  GLN   6           HG1      GLN   6  23.434  -7.968   6.850
   35   HE21  GLN   6          HE21      GLN   6  21.822  -8.241   8.389
   36   HE22  GLN   6          HE22      GLN   6  20.988  -9.742   8.593
   37    H    GLN   7           HN       GLN   7  21.291  -4.822   5.139
   38    HA   GLN   7           HA       GLN   7  19.819  -3.440   4.096
   39    HB2  GLN   7           HB2      GLN   7  21.986  -2.406   3.461
   40    HB3  GLN   7           HB1      GLN   7  21.976  -3.349   1.978
   41    HG2  GLN   7           HG2      GLN   7  19.916  -2.222   1.283
   42    HG3  GLN   7           HG1      GLN   7  19.952  -1.262   2.760
   43   HE21  GLN   7          HE21      GLN   7  20.078   0.664   1.625
   44   HE22  GLN   7          HE22      GLN   7  21.517   1.164   0.807
   45    H    ASN   8           HN       ASN   8  18.387  -5.287   3.791
   46    HA   ASN   8           HA       ASN   8  18.335  -6.403   1.093
   47    HB2  ASN   8           HB2      ASN   8  16.827  -7.175   3.597
   48    HB3  ASN   8           HB1      ASN   8  16.625  -7.963   2.036
   49   HD21  ASN   8          HD21      ASN   8  18.355  -9.158   1.172
   50   HD22  ASN   8          HD22      ASN   8  19.611  -9.777   2.190
   51    H    LEU   9           HN       LEU   9  16.546  -6.298  -0.244
   52    HA   LEU   9           HA       LEU   9  14.559  -4.253   0.488
   53    HB2  LEU   9           HB2      LEU   9  16.191  -3.336  -1.087
   54    HB3  LEU   9           HB1      LEU   9  15.886  -4.661  -2.192
   55    HG   LEU   9           HG       LEU   9  13.566  -3.864  -2.488
   56   HD11  LEU   9          HD11      LEU   9  14.461  -1.552  -0.774
   57   HD12  LEU   9          HD12      LEU   9  13.256  -2.765  -0.342
   58   HD13  LEU   9          HD13      LEU   9  12.943  -1.643  -1.667
   59   HD21  LEU   9          HD21      LEU   9  15.698  -1.797  -3.017
   60   HD22  LEU   9          HD22      LEU   9  14.119  -1.869  -3.800
   61   HD23  LEU   9          HD23      LEU   9  15.289  -3.163  -4.053
   62    H    ALA  10           HN       ALA  10  12.624  -5.137   0.612
   63    HA   ALA  10           HA       ALA  10  11.917  -7.590  -0.668
   64    HB1  ALA  10           HB1      ALA  10  10.940  -6.956   1.471
   65    HB2  ALA  10           HB2      ALA  10   9.682  -7.157   0.252
   66    HB3  ALA  10           HB3      ALA  10  10.199  -5.540   0.727
   67    HA   PRO  11           HA       PRO  11  10.788  -6.412  -4.728
   68    HB2  PRO  11           HB2      PRO  11   8.247  -7.887  -4.201
   69    HB3  PRO  11           HB1      PRO  11   9.376  -8.035  -5.553
   70    HG2  PRO  11           HG2      PRO  11   9.362  -9.850  -3.619
   71    HG3  PRO  11           HG1      PRO  11  10.891  -9.289  -4.319
   72    HD2  PRO  11           HD2      PRO  11   9.650  -8.620  -1.693
   73    HD3  PRO  11           HD1      PRO  11  11.362  -8.813  -2.118
   74    H    GLY  12           HN       GLY  12  10.462  -4.204  -4.499
   75    HA2  GLY  12           HA2      GLY  12   9.213  -2.343  -5.005
   76    HA3  GLY  12           HA1      GLY  12   7.813  -3.389  -5.168
   77    H    ALA  13           HN       ALA  13   9.604  -3.457  -2.190
   78    HA   ALA  13           HA       ALA  13   7.258  -2.505  -0.795
   79    HB1  ALA  13           HB1      ALA  13   9.948  -3.326   0.291
   80    HB2  ALA  13           HB2      ALA  13   8.552  -4.383   0.088
   81    HB3  ALA  13           HB3      ALA  13   8.487  -3.048   1.237
   82    H    ARG  14           HN       ARG  14   7.431  -0.423  -1.913
   83    HA   ARG  14           HA       ARG  14   8.429   1.600  -0.150
   84    HB2  ARG  14           HB2      ARG  14   9.672   1.222  -2.882
   85    HB3  ARG  14           HB1      ARG  14   9.616   2.800  -2.114
   86    HG2  ARG  14           HG2      ARG  14  10.911   1.897  -0.224
   87    HG3  ARG  14           HG1      ARG  14  11.005   0.345  -1.058
   88    HD2  ARG  14           HD2      ARG  14  12.194   1.406  -2.907
   89    HD3  ARG  14           HD1      ARG  14  12.075   2.967  -2.098
   90    HE   ARG  14           HE       ARG  14  13.326   1.080  -0.400
   91   HH11  ARG  14          HH11      ARG  14  13.944   3.020  -3.250
   92   HH12  ARG  14          HH12      ARG  14  15.653   3.092  -2.984
   93   HH21  ARG  14          HH21      ARG  14  15.572   1.169  -0.047
   94   HH22  ARG  14          HH22      ARG  14  16.585   2.040  -1.156
   95    H    CYS  15           HN       CYS  15   7.489   3.685  -0.732
   96    HA   CYS  15           HA       CYS  15   4.933   3.495  -1.921
   97    HB2  CYS  15           HB2      CYS  15   5.378   5.210  -0.271
   98    HB3  CYS  15           HB1      CYS  15   6.651   5.900  -1.270
   99    H    GLY  16           HN       GLY  16   4.639   3.075  -4.018
  100    HA2  GLY  16           HA2      GLY  16   6.626   3.400  -5.993
  101    HA3  GLY  16           HA1      GLY  16   4.937   3.028  -6.292
  102    H    VAL  17           HN       VAL  17   4.447   5.659  -4.699
  103    HA   VAL  17           HA       VAL  17   4.333   7.344  -7.038
  104    HB   VAL  17           HB       VAL  17   3.607   8.017  -4.180
  105   HG11  VAL  17          HG11      VAL  17   2.808   9.300  -6.786
  106   HG12  VAL  17          HG12      VAL  17   3.897   9.979  -5.577
  107   HG13  VAL  17          HG13      VAL  17   2.192   9.741  -5.195
  108   HG21  VAL  17          HG21      VAL  17   1.291   7.500  -4.838
  109   HG22  VAL  17          HG22      VAL  17   2.339   6.084  -4.915
  110   HG23  VAL  17          HG23      VAL  17   1.880   6.922  -6.397
  111    H    CYS  18           HN       CYS  18   6.311   7.009  -4.188
  112    HA   CYS  18           HA       CYS  18   7.648   9.557  -4.786
  113    HB2  CYS  18           HB2      CYS  18   7.552   7.966  -2.219
  114    HB3  CYS  18           HB1      CYS  18   8.489   9.437  -2.448
  115    H    GLY  19           HN       GLY  19   8.115   6.137  -4.586
  116    HA2  GLY  19           HA2      GLY  19   9.940   4.856  -5.211
  117    HA3  GLY  19           HA1      GLY  19  10.829   6.339  -5.543
  118    H    ASP  20           HN       ASP  20   9.224   5.818  -2.516
  119    HA   ASP  20           HA       ASP  20  11.763   5.325  -1.159
  120    HB2  ASP  20           HB2      ASP  20  11.709   7.713  -1.208
  121    HB3  ASP  20           HB1      ASP  20  10.007   7.749  -0.761
  122    H    GLY  21           HN       GLY  21  11.565   4.301   0.813
  123    HA2  GLY  21           HA2      GLY  21   8.817   3.469   1.515
  124    HA3  GLY  21           HA1      GLY  21  10.246   2.472   1.747
  125    H    THR  22           HN       THR  22  10.655   5.772   2.462
  126    HA   THR  22           HA       THR  22  10.994   5.209   5.265
  127    HB   THR  22           HB       THR  22  11.129   7.887   3.863
  128    HG1  THR  22           HG1      THR  22  12.651   6.727   2.822
  129   HG21  THR  22          HG21      THR  22  12.409   6.891   6.411
  130   HG22  THR  22          HG22      THR  22  11.047   8.007   6.309
  131   HG23  THR  22          HG23      THR  22  12.631   8.488   5.701
  132    H    ASP  23           HN       ASP  23   9.540   5.558   6.840
  133    HA   ASP  23           HA       ASP  23   7.572   6.005   7.877
  134    HB2  ASP  23           HB2      ASP  23   7.793   8.438   6.103
  135    HB3  ASP  23           HB1      ASP  23   6.474   8.231   7.252
  136    H    VAL  24           HN       VAL  24   7.444   4.172   5.870
  137    HA   VAL  24           HA       VAL  24   5.203   4.837   4.140
  138    HB   VAL  24           HB       VAL  24   7.367   3.538   3.467
  139   HG11  VAL  24          HG11      VAL  24   5.696   1.289   4.550
  140   HG12  VAL  24          HG12      VAL  24   7.270   1.814   5.149
  141   HG13  VAL  24          HG13      VAL  24   7.129   1.108   3.539
  142   HG21  VAL  24          HG21      VAL  24   6.171   2.423   1.686
  143   HG22  VAL  24          HG22      VAL  24   5.511   4.031   1.983
  144   HG23  VAL  24          HG23      VAL  24   4.659   2.605   2.576
  145    H    LEU  25           HN       LEU  25   3.278   3.629   4.076
  146    HA   LEU  25           HA       LEU  25   2.665   2.262   6.594
  147    HB2  LEU  25           HB2      LEU  25   0.856   3.444   4.484
  148    HB3  LEU  25           HB1      LEU  25   0.288   2.573   5.898
  149    HG   LEU  25           HG       LEU  25   1.833   5.167   5.929
  150   HD11  LEU  25          HD11      LEU  25  -0.474   5.361   5.105
  151   HD12  LEU  25          HD12      LEU  25  -0.240   6.164   6.657
  152   HD13  LEU  25          HD13      LEU  25  -1.049   4.600   6.588
  153   HD21  LEU  25          HD21      LEU  25   0.612   3.576   8.185
  154   HD22  LEU  25          HD22      LEU  25   1.332   5.180   8.327
  155   HD23  LEU  25          HD23      LEU  25   2.337   3.800   7.884
  156    H    ARG  26           HN       ARG  26   1.495   0.287   6.540
  157    HA   ARG  26           HA       ARG  26   2.047  -1.278   4.106
  158    HB2  ARG  26           HB2      ARG  26   3.445  -1.663   6.277
  159    HB3  ARG  26           HB1      ARG  26   1.995  -2.458   6.868
  160    HG2  ARG  26           HG2      ARG  26   3.280  -4.197   6.017
  161    HG3  ARG  26           HG1      ARG  26   2.126  -3.859   4.724
  162    HD2  ARG  26           HD2      ARG  26   4.373  -4.151   3.822
  163    HD3  ARG  26           HD1      ARG  26   3.812  -2.495   3.581
  164    HE   ARG  26           HE       ARG  26   5.180  -2.408   5.943
  165   HH11  ARG  26          HH11      ARG  26   5.972  -3.406   2.677
  166   HH12  ARG  26          HH12      ARG  26   7.662  -3.056   2.853
  167   HH21  ARG  26          HH21      ARG  26   7.391  -1.936   6.168
  168   HH22  ARG  26          HH22      ARG  26   8.469  -2.198   4.831
  169    H    CYS  27           HN       CYS  27   0.428  -2.585   3.370
  170    HA   CYS  27           HA       CYS  27  -2.204  -2.326   4.469
  171    HB2  CYS  27           HB2      CYS  27  -1.539  -2.764   1.999
  172    HB3  CYS  27           HB1      CYS  27  -1.378  -4.459   2.480
  173    H    THR  28           HN       THR  28  -3.355  -3.811   5.695
  174    HA   THR  28           HA       THR  28  -1.735  -5.879   6.982
  175    HB   THR  28           HB       THR  28  -3.624  -6.032   8.592
  176    HG1  THR  28           HG1      THR  28  -5.461  -5.147   8.068
  177   HG21  THR  28          HG21      THR  28  -3.271  -3.846   9.647
  178   HG22  THR  28          HG22      THR  28  -2.567  -3.237   8.150
  179   HG23  THR  28          HG23      THR  28  -1.754  -4.519   9.049
  180    H    HIS  29           HN       HIS  29  -4.254  -5.504   4.685
  181    HA   HIS  29           HA       HIS  29  -5.183  -8.247   4.972
  182    HB2  HIS  29           HB2      HIS  29  -6.050  -5.972   3.193
  183    HB3  HIS  29           HB1      HIS  29  -6.673  -7.607   3.004
  184    HD1  HIS  29           HD1      HIS  29  -8.676  -8.164   4.360
  185    HD2  HIS  29           HD2      HIS  29  -6.643  -4.867   5.866
  186    HE1  HIS  29           HE1      HIS  29 -10.094  -7.300   6.247
  187    HE2  HIS  29           HE2      HIS  29  -8.891  -5.251   7.087
  188    H    CYS  30           HN       CYS  30  -2.965  -6.423   3.113
  189    HA   CYS  30           HA       CYS  30  -2.019  -8.863   1.896
  190    HB2  CYS  30           HB2      CYS  30  -2.140  -8.218  -0.353
  191    HB3  CYS  30           HB1      CYS  30  -3.700  -7.709   0.280
  192    H    ALA  31           HN       ALA  31  -0.008  -7.941   0.380
  193    HA   ALA  31           HA       ALA  31   1.569  -6.397   2.302
  194    HB1  ALA  31           HB1      ALA  31   3.536  -7.361   1.245
  195    HB2  ALA  31           HB2      ALA  31   2.518  -8.164   0.050
  196    HB3  ALA  31           HB3      ALA  31   2.420  -8.631   1.746
  197    H    ALA  32           HN       ALA  32   1.772  -4.326   1.847
  198    HA   ALA  32           HA       ALA  32   2.650  -3.421  -0.721
  199    HB1  ALA  32           HB1      ALA  32   0.777  -1.934  -1.199
  200    HB2  ALA  32           HB2      ALA  32  -0.087  -2.547   0.211
  201    HB3  ALA  32           HB3      ALA  32   0.239  -3.613  -1.155
  202    H    ALA  33           HN       ALA  33   3.789  -1.596  -0.517
  203    HA   ALA  33           HA       ALA  33   3.692  -0.158   2.058
  204    HB1  ALA  33           HB1      ALA  33   5.989  -0.399   0.118
  205    HB2  ALA  33           HB2      ALA  33   5.810  -1.326   1.607
  206    HB3  ALA  33           HB3      ALA  33   6.016   0.423   1.677
  207    H    PHE  34           HN       PHE  34   2.802   1.784   1.946
  208    HA   PHE  34           HA       PHE  34   3.406   3.572  -0.248
  209    HB2  PHE  34           HB2      PHE  34   1.053   3.993  -0.833
  210    HB3  PHE  34           HB1      PHE  34   1.505   2.326  -1.167
  211    HD1  PHE  34           HD2      PHE  34   0.701   0.511   0.304
  212    HD2  PHE  34           HD1      PHE  34  -0.637   4.527   0.748
  213    HE1  PHE  34           HE2      PHE  34  -1.209  -0.275   1.638
  214    HE2  PHE  34           HE1      PHE  34  -2.548   3.745   2.081
  215    HZ   PHE  34           HZ       PHE  34  -2.837   1.341   2.527
  216    H    HIS  35           HN       HIS  35   2.989   5.757   0.268
  217    HA   HIS  35           HA       HIS  35   2.475   6.325   3.059
  218    HB2  HIS  35           HB2      HIS  35   2.779   8.277   0.760
  219    HB3  HIS  35           HB1      HIS  35   2.791   8.677   2.471
  220    HD2  HIS  35           HD2      HIS  35   5.014   6.514   3.475
  221    HE1  HIS  35           HE1      HIS  35   7.442   8.367   0.542
  222    HE2  HIS  35           HE2      HIS  35   7.437   7.100   2.750
  223    H    TRP  36           HN       TRP  36   0.568   7.130   3.890
  224    HA   TRP  36           HA       TRP  36  -1.809   6.394   2.742
  225    HB2  TRP  36           HB2      TRP  36  -1.473   7.048   5.133
  226    HB3  TRP  36           HB1      TRP  36  -1.487   8.734   4.628
  227    HD1  TRP  36           HD1      TRP  36  -3.771   9.850   4.889
  228    HE1  TRP  36           HE1      TRP  36  -6.222   9.071   4.927
  229    HE3  TRP  36           HE3      TRP  36  -3.040   4.872   4.002
  230    HZ2  TRP  36           HZ2      TRP  36  -7.655   6.653   4.612
  231    HZ3  TRP  36           HZ3      TRP  36  -5.002   3.393   3.881
  232    HH2  TRP  36           HH2      TRP  36  -7.262   4.267   4.180
  233    H    ARG  37           HN       ARG  37  -0.425   9.674   2.728
  234    HA   ARG  37           HA       ARG  37  -2.601  10.857   1.353
  235    HB2  ARG  37           HB2      ARG  37   0.243  11.827   1.666
  236    HB3  ARG  37           HB1      ARG  37  -1.109  12.808   1.117
  237    HG2  ARG  37           HG2      ARG  37  -2.216  12.469   3.282
  238    HG3  ARG  37           HG1      ARG  37  -0.824  11.525   3.824
  239    HD2  ARG  37           HD2      ARG  37   0.614  13.427   3.665
  240    HD3  ARG  37           HD1      ARG  37  -0.643  14.378   2.875
  241    HE   ARG  37           HE       ARG  37  -1.685  13.615   5.318
  242   HH11  ARG  37          HH11      ARG  37   1.101  15.446   4.228
  243   HH12  ARG  37          HH12      ARG  37   1.097  16.498   5.606
  244   HH21  ARG  37          HH21      ARG  37  -1.681  14.996   7.118
  245   HH22  ARG  37          HH22      ARG  37  -0.488  16.249   7.247
  246    H    CYS  38           HN       CYS  38  -0.024   8.966   0.218
  247    HA   CYS  38           HA       CYS  38   0.062  10.159  -2.416
  248    HB2  CYS  38           HB2      CYS  38   1.389   7.651  -1.372
  249    HB3  CYS  38           HB1      CYS  38   1.746   8.458  -2.899
  250    H    HIS  39           HN       HIS  39  -1.650   7.691  -0.778
  251    HA   HIS  39           HA       HIS  39  -2.648   6.619  -3.331
  252    HB2  HIS  39           HB2      HIS  39  -2.291   5.442  -0.630
  253    HB3  HIS  39           HB1      HIS  39  -3.693   4.913  -1.548
  254    HD1  HIS  39           HD1      HIS  39  -2.756   2.555  -1.840
  255    HD2  HIS  39           HD2      HIS  39  -0.324   5.513  -3.432
  256    HE1  HIS  39           HE1      HIS  39  -1.052   1.341  -3.215
  257    HE2  HIS  39           HE2      HIS  39   0.269   3.167  -4.348
  258    H    PHE  40           HN       PHE  40  -3.657   7.823  -0.171
  259    HA   PHE  40           HA       PHE  40  -6.379   8.177  -1.235
  260    HB2  PHE  40           HB2      PHE  40  -5.467   7.638   1.601
  261    HB3  PHE  40           HB1      PHE  40  -7.118   8.050   1.157
  262    HD1  PHE  40           HD1      PHE  40  -4.494   5.488   0.909
  263    HD2  PHE  40           HD2      PHE  40  -8.582   6.434   0.201
  264    HE1  PHE  40           HE1      PHE  40  -4.973   3.107   0.507
  265    HE2  PHE  40           HE2      PHE  40  -9.069   4.057  -0.200
  266    HZ   PHE  40           HZ       PHE  40  -7.280   2.387  -0.006
  267    HA   PRO  41           HA       PRO  41  -6.006  12.567  -0.647
  268    HB2  PRO  41           HB2      PRO  41  -8.591  12.983   0.308
  269    HB3  PRO  41           HB1      PRO  41  -8.114  12.976  -1.391
  270    HG2  PRO  41           HG2      PRO  41  -9.351  10.814   0.245
  271    HG3  PRO  41           HG1      PRO  41  -9.623  11.237  -1.456
  272    HD2  PRO  41           HD2      PRO  41  -8.135   9.123  -0.767
  273    HD3  PRO  41           HD1      PRO  41  -7.713  10.132  -2.165
  274    H    ALA  42           HN       ALA  42  -5.596  13.963   0.978
  275    HA   ALA  42           HA       ALA  42  -4.860  12.877   3.463
  276    HB1  ALA  42           HB1      ALA  42  -4.207  15.129   4.071
  277    HB2  ALA  42           HB2      ALA  42  -5.138  15.786   2.724
  278    HB3  ALA  42           HB3      ALA  42  -3.724  14.780   2.411
  279    H    GLY  43           HN       GLY  43  -7.861  14.121   2.399
  280    HA2  GLY  43           HA2      GLY  43  -8.840  14.883   4.994
  281    HA3  GLY  43           HA1      GLY  43  -9.796  14.691   3.531
  282    H    THR  44           HN       THR  44  -8.466  11.922   3.312
  283    HA   THR  44           HA       THR  44 -10.567  10.487   4.637
  284    HB   THR  44           HB       THR  44  -8.108   9.408   3.230
  285    HG1  THR  44           HG1      THR  44 -10.296  10.672   2.276
  286   HG21  THR  44          HG21      THR  44  -9.372   7.358   2.976
  287   HG22  THR  44          HG22      THR  44 -10.768   8.081   3.773
  288   HG23  THR  44          HG23      THR  44  -9.291   7.779   4.687
  289    H    SER  45           HN       SER  45 -10.314   8.944   6.315
  290    HA   SER  45           HA       SER  45  -8.336   9.796   8.256
  291    HB2  SER  45           HB2      SER  45 -10.570   7.786   8.603
  292    HB3  SER  45           HB1      SER  45  -9.705   8.654   9.872
  293    HG   SER  45           HG       SER  45 -10.785  10.461   9.416
  294    H    ARG  46           HN       ARG  46  -6.504   8.761   8.585
  295    HA   ARG  46           HA       ARG  46  -5.852   6.340   7.240
  296    HB2  ARG  46           HB2      ARG  46  -4.186   8.096   7.740
  297    HB3  ARG  46           HB1      ARG  46  -4.373   7.771   9.458
  298    HG2  ARG  46           HG2      ARG  46  -3.646   5.407   8.966
  299    HG3  ARG  46           HG1      ARG  46  -3.205   5.975   7.355
  300    HD2  ARG  46           HD2      ARG  46  -2.133   7.051   9.958
  301    HD3  ARG  46           HD1      ARG  46  -1.286   5.947   8.880
  302    HE   ARG  46           HE       ARG  46  -2.091   8.382   7.591
  303   HH11  ARG  46          HH11      ARG  46   0.350   6.910   9.626
  304   HH12  ARG  46          HH12      ARG  46   1.607   7.995   9.120
  305   HH21  ARG  46          HH21      ARG  46  -0.439   9.813   6.921
  306   HH22  ARG  46          HH22      ARG  46   1.158   9.649   7.581
  307    HA   PRO  47           HA       PRO  47  -7.577   3.617  10.385
  308    HB2  PRO  47           HB2      PRO  47  -6.138   1.546   8.860
  309    HB3  PRO  47           HB1      PRO  47  -7.859   1.674   9.224
  310    HG2  PRO  47           HG2      PRO  47  -6.905   2.100   6.752
  311    HG3  PRO  47           HG1      PRO  47  -8.286   3.008   7.395
  312    HD2  PRO  47           HD2      PRO  47  -5.432   3.857   7.098
  313    HD3  PRO  47           HD1      PRO  47  -6.924   4.783   6.830
  314    H    GLY  48           HN       GLY  48  -6.709   3.136  12.298
  315    HA2  GLY  48           HA2      GLY  48  -3.827   3.045  12.621
  316    HA3  GLY  48           HA1      GLY  48  -5.028   2.977  13.905
  317    H    THR  49           HN       THR  49  -6.583   0.881  13.085
  318    HA   THR  49           HA       THR  49  -4.700  -1.374  13.020
  319    HB   THR  49           HB       THR  49  -5.885  -1.342  15.131
  320    HG1  THR  49           HG1      THR  49  -5.620  -3.417  14.525
  321   HG21  THR  49          HG21      THR  49  -8.341  -1.581  15.210
  322   HG22  THR  49          HG22      THR  49  -8.396  -1.339  13.464
  323   HG23  THR  49          HG23      THR  49  -7.827  -0.045  14.516
  324    H    GLY  50           HN       GLY  50  -4.937  -2.892  11.460
  325    HA2  GLY  50           HA2      GLY  50  -5.720  -3.921   9.563
  326    HA3  GLY  50           HA1      GLY  50  -7.324  -3.367  10.017
  327    H    LEU  51           HN       LEU  51  -4.277  -2.017   8.772
  328    HA   LEU  51           HA       LEU  51  -5.639   0.101   7.390
  329    HB2  LEU  51           HB2      LEU  51  -3.302   0.168   8.391
  330    HB3  LEU  51           HB1      LEU  51  -2.800  -0.716   6.957
  331    HG   LEU  51           HG       LEU  51  -4.419   1.693   6.455
  332   HD11  LEU  51          HD11      LEU  51  -1.603   1.881   7.484
  333   HD12  LEU  51          HD12      LEU  51  -3.061   2.440   8.306
  334   HD13  LEU  51          HD13      LEU  51  -2.552   3.201   6.800
  335   HD21  LEU  51          HD21      LEU  51  -3.502   0.353   4.665
  336   HD22  LEU  51          HD22      LEU  51  -1.870   0.594   5.291
  337   HD23  LEU  51          HD23      LEU  51  -2.785   1.964   4.662
  338    H    ARG  52           HN       ARG  52  -6.291   0.152   5.325
  339    HA   ARG  52           HA       ARG  52  -5.783  -2.265   3.720
  340    HB2  ARG  52           HB2      ARG  52  -8.196  -0.441   3.627
  341    HB3  ARG  52           HB1      ARG  52  -7.968  -1.906   2.687
  342    HG2  ARG  52           HG2      ARG  52  -7.992  -3.229   4.746
  343    HG3  ARG  52           HG1      ARG  52  -8.231  -1.753   5.683
  344    HD2  ARG  52           HD2      ARG  52 -10.101  -2.879   3.602
  345    HD3  ARG  52           HD1      ARG  52 -10.348  -2.896   5.348
  346    HE   ARG  52           HE       ARG  52 -10.063  -0.262   4.806
  347   HH11  ARG  52          HH11      ARG  52 -12.084  -2.770   3.444
  348   HH12  ARG  52          HH12      ARG  52 -13.362  -1.682   3.013
  349   HH21  ARG  52          HH21      ARG  52 -11.746   1.174   4.247
  350   HH22  ARG  52          HH22      ARG  52 -13.170   0.564   3.465
  351    H    CYS  53           HN       CYS  53  -4.867  -2.003   1.786
  352    HA   CYS  53           HA       CYS  53  -4.227   0.601   0.771
  353    HB2  CYS  53           HB2      CYS  53  -3.074  -0.541  -0.985
  354    HB3  CYS  53           HB1      CYS  53  -2.806  -1.482   0.480
  355    H    ARG  54           HN       ARG  54  -4.727   0.744  -1.848
  356    HA   ARG  54           HA       ARG  54  -7.400   1.541  -1.879
  357    HB2  ARG  54           HB2      ARG  54  -7.133   1.904  -4.289
  358    HB3  ARG  54           HB1      ARG  54  -5.774   2.536  -3.376
  359    HG2  ARG  54           HG2      ARG  54  -4.385   0.717  -4.045
  360    HG3  ARG  54           HG1      ARG  54  -5.753  -0.123  -4.780
  361    HD2  ARG  54           HD2      ARG  54  -5.979   1.629  -6.432
  362    HD3  ARG  54           HD1      ARG  54  -4.697   2.558  -5.663
  363    HE   ARG  54           HE       ARG  54  -3.867  -0.065  -6.478
  364   HH11  ARG  54          HH11      ARG  54  -4.387   3.220  -7.563
  365   HH12  ARG  54          HH12      ARG  54  -3.192   3.131  -8.818
  366   HH21  ARG  54          HH21      ARG  54  -2.297  -0.191  -8.138
  367   HH22  ARG  54          HH22      ARG  54  -2.013   1.188  -9.154
  368    H    SER  55           HN       SER  55  -5.931  -1.436  -3.089
  369    HA   SER  55           HA       SER  55  -8.255  -2.388  -4.401
  370    HB2  SER  55           HB2      SER  55  -5.958  -4.022  -3.314
  371    HB3  SER  55           HB1      SER  55  -7.047  -4.457  -4.630
  372    HG   SER  55           HG       SER  55  -6.094  -2.994  -5.931
  373    H    CYS  56           HN       CYS  56  -6.820  -3.125  -1.229
  374    HA   CYS  56           HA       CYS  56  -8.878  -4.947  -0.486
  375    HB2  CYS  56           HB2      CYS  56  -6.855  -3.506   1.240
  376    HB3  CYS  56           HB1      CYS  56  -7.854  -4.856   1.757
  377    H    SER  57           HN       SER  57  -8.658  -1.532  -0.473
  378    HA   SER  57           HA       SER  57 -10.698  -1.206   1.575
  379    HB2  SER  57           HB2      SER  57  -8.754   0.373   1.383
  380    HB3  SER  57           HB1      SER  57  -9.406   0.912  -0.163
  381    HG   SER  57           HG       SER  57 -11.369   1.423   1.063
  382    H    GLY  58           HN       GLY  58 -10.854  -2.279  -1.415
  383    HA2  GLY  58           HA2      GLY  58 -13.116  -0.627  -2.281
  384    HA3  GLY  58           HA1      GLY  58 -12.268  -1.812  -3.266
  385    H    ASP  59           HN       ASP  59 -13.975  -3.049  -3.874
  386    HA   ASP  59           HA       ASP  59 -15.395  -4.453  -1.710
  387    HB2  ASP  59           HB2      ASP  59 -17.375  -4.579  -3.117
  388    HB3  ASP  59           HB1      ASP  59 -16.895  -2.897  -2.934
  389    H    VAL  60           HN       VAL  60 -15.674  -6.662  -1.949
  390    HA   VAL  60           HA       VAL  60 -13.948  -7.878  -3.958
  391    HB   VAL  60           HB       VAL  60 -14.170  -9.941  -2.605
  392   HG11  VAL  60          HG11      VAL  60 -12.801  -9.182  -0.723
  393   HG12  VAL  60          HG12      VAL  60 -13.248  -7.514  -1.082
  394   HG13  VAL  60          HG13      VAL  60 -12.296  -8.441  -2.242
  395   HG21  VAL  60          HG21      VAL  60 -15.120  -9.786  -0.336
  396   HG22  VAL  60          HG22      VAL  60 -16.337  -9.582  -1.596
  397   HG23  VAL  60          HG23      VAL  60 -15.726  -8.177  -0.725
  398    H    THR  61           HN       THR  61 -14.709  -9.054  -5.598
  399    HA   THR  61           HA       THR  61 -17.619  -9.303  -5.789
  400    HB   THR  61           HB       THR  61 -16.388  -8.046  -7.575
  401    HG1  THR  61           HG1      THR  61 -17.394 -10.022  -9.118
  402   HG21  THR  61          HG21      THR  61 -14.378  -9.445  -7.695
  403   HG22  THR  61          HG22      THR  61 -15.156  -9.302  -9.269
  404   HG23  THR  61          HG23      THR  61 -15.343 -10.779  -8.324
  405    HA   PRO  62           HA       PRO  62 -17.196 -13.736  -5.419
  406    HB2  PRO  62           HB2      PRO  62 -19.729 -14.390  -6.103
  407    HB3  PRO  62           HB1      PRO  62 -19.324 -13.698  -4.530
  408    HG2  PRO  62           HG2      PRO  62 -20.479 -12.369  -6.944
  409    HG3  PRO  62           HG1      PRO  62 -20.895 -12.149  -5.235
  410    HD2  PRO  62           HD2      PRO  62 -19.292 -10.433  -6.628
  411    HD3  PRO  62           HD1      PRO  62 -19.171 -10.682  -4.875
  412    H    ALA  63           HN       ALA  63 -16.499 -15.226  -6.837
  413    HA   ALA  63           HA       ALA  63 -16.283 -14.598  -9.589
  414    HB1  ALA  63           HB1      ALA  63 -15.252 -16.796  -9.816
  415    HB2  ALA  63           HB2      ALA  63 -15.808 -17.235  -8.201
  416    HB3  ALA  63           HB3      ALA  63 -14.618 -15.950  -8.404
  417    HA   PRO  64           HA       PRO  64 -20.300 -16.155 -10.790
  418    HB2  PRO  64           HB2      PRO  64 -20.038 -15.686 -13.445
  419    HB3  PRO  64           HB1      PRO  64 -20.369 -14.402 -12.277
  420    HG2  PRO  64           HG2      PRO  64 -17.789 -15.171 -13.571
  421    HG3  PRO  64           HG1      PRO  64 -18.432 -13.558 -13.220
  422    HD2  PRO  64           HD2      PRO  64 -16.545 -14.802 -11.688
  423    HD3  PRO  64           HD1      PRO  64 -17.684 -13.596 -11.058
  424    H    VAL  65           HN       VAL  65 -19.576 -18.318 -10.170
  425    HA   VAL  65           HA       VAL  65 -18.437 -19.917 -12.349
  426    HB   VAL  65           HB       VAL  65 -17.970 -21.619 -10.619
  427   HG11  VAL  65          HG11      VAL  65 -16.262 -19.988 -11.207
  428   HG12  VAL  65          HG12      VAL  65 -16.170 -20.394  -9.492
  429   HG13  VAL  65          HG13      VAL  65 -16.897 -18.869 -10.001
  430   HG21  VAL  65          HG21      VAL  65 -19.762 -21.089  -9.053
  431   HG22  VAL  65          HG22      VAL  65 -19.010 -19.534  -8.699
  432   HG23  VAL  65          HG23      VAL  65 -18.194 -21.030  -8.246
  433    H    GLU  66           HN       GLU  66 -21.410 -19.174 -11.158
  434    HA   GLU  66           HA       GLU  66 -22.482 -21.840 -11.811
  435    HB2  GLU  66           HB2      GLU  66 -22.894 -21.130  -9.471
  436    HB3  GLU  66           HB1      GLU  66 -23.741 -19.710 -10.069
  437    HG2  GLU  66           HG2      GLU  66 -25.425 -21.127 -11.102
  438    HG3  GLU  66           HG1      GLU  66 -24.566 -22.564 -10.550
  Start of MODEL   38
    1    H1   GLY   1           HT1      GLY   1  16.043 -21.447 -19.410
    2    H2   GLY   1           HT2      GLY   1  15.611 -20.282 -18.265
    3    H3   GLY   1           HT3      GLY   1  17.013 -20.082 -19.187
    4    HA2  GLY   1           HA1      GLY   1  15.711 -19.862 -21.198
    5    HA3  GLY   1           HA2      GLY   1  14.248 -20.101 -20.254
    6    H    ALA   2           HN       ALA   2  15.897 -17.807 -21.777
    7    HA   ALA   2           HA       ALA   2  15.931 -15.735 -19.788
    8    HB1  ALA   2           HB1      ALA   2  16.158 -15.505 -22.785
    9    HB2  ALA   2           HB2      ALA   2  17.505 -15.745 -21.673
   10    HB3  ALA   2           HB3      ALA   2  16.560 -14.258 -21.605
   11    H    MET   3           HN       MET   3  14.653 -13.801 -19.867
   12    HA   MET   3           HA       MET   3  12.145 -13.910 -21.338
   13    HB2  MET   3           HB2      MET   3  11.638 -15.109 -19.265
   14    HB3  MET   3           HB1      MET   3  12.281 -13.778 -18.317
   15    HG2  MET   3           HG2      MET   3  10.501 -12.324 -19.148
   16    HG3  MET   3           HG1      MET   3   9.858 -13.662 -20.099
   17    HE1  MET   3           HE1      MET   3   7.210 -13.214 -17.227
   18    HE2  MET   3           HE2      MET   3   7.473 -13.244 -18.970
   19    HE3  MET   3           HE3      MET   3   8.146 -11.935 -17.999
   20    H    GLU   4           HN       GLU   4  11.811 -11.955 -22.164
   21    HA   GLU   4           HA       GLU   4  13.345  -9.693 -21.246
   22    HB2  GLU   4           HB2      GLU   4  11.333 -10.041 -23.466
   23    HB3  GLU   4           HB1      GLU   4  12.122  -8.508 -23.117
   24    HG2  GLU   4           HG2      GLU   4  13.545 -11.060 -23.834
   25    HG3  GLU   4           HG1      GLU   4  13.188  -9.744 -24.952
   26    H    GLY   5           HN       GLY   5  11.926 -10.275 -19.128
   27    HA2  GLY   5           HA2      GLY   5   9.543  -8.543 -19.172
   28    HA3  GLY   5           HA1      GLY   5   9.832  -9.831 -18.009
   29    H    GLN   6           HN       GLN   6   9.705  -6.615 -18.302
   30    HA   GLN   6           HA       GLN   6  11.814  -6.097 -16.330
   31    HB2  GLN   6           HB2      GLN   6  10.082  -4.221 -17.948
   32    HB3  GLN   6           HB1      GLN   6  11.236  -3.694 -16.730
   33    HG2  GLN   6           HG2      GLN   6  13.058  -4.649 -18.014
   34    HG3  GLN   6           HG1      GLN   6  11.917  -5.245 -19.217
   35   HE21  GLN   6          HE21      GLN   6  11.512  -2.153 -17.674
   36   HE22  GLN   6          HE22      GLN   6  11.890  -1.191 -19.060
   37    H    GLN   7           HN       GLN   7   8.710  -7.034 -16.449
   38    HA   GLN   7           HA       GLN   7   7.734  -5.496 -14.184
   39    HB2  GLN   7           HB2      GLN   7   5.669  -6.817 -14.494
   40    HB3  GLN   7           HB1      GLN   7   6.165  -6.007 -15.975
   41    HG2  GLN   7           HG2      GLN   7   7.131  -8.104 -16.787
   42    HG3  GLN   7           HG1      GLN   7   6.614  -8.908 -15.308
   43   HE21  GLN   7          HE21      GLN   7   5.917  -9.441 -18.090
   44   HE22  GLN   7          HE22      GLN   7   4.191  -9.345 -18.170
   45    H    ASN   8           HN       ASN   8   6.372  -7.164 -12.661
   46    HA   ASN   8           HA       ASN   8   6.432  -8.701 -10.998
   47    HB2  ASN   8           HB2      ASN   8   8.525 -10.064 -12.709
   48    HB3  ASN   8           HB1      ASN   8   7.771 -10.768 -11.283
   49   HD21  ASN   8          HD21      ASN   8   7.785 -11.688 -14.038
   50   HD22  ASN   8          HD22      ASN   8   6.125 -11.821 -14.508
   51    H    LEU   9           HN       LEU   9   8.277  -6.362 -11.190
   52    HA   LEU   9           HA       LEU   9  10.333  -7.276  -9.293
   53    HB2  LEU   9           HB2      LEU   9  10.343  -4.845 -11.086
   54    HB3  LEU   9           HB1      LEU   9  11.604  -5.262  -9.945
   55    HG   LEU   9           HG       LEU   9  10.839  -6.868 -12.387
   56   HD11  LEU   9          HD11      LEU   9  11.986  -4.789 -12.937
   57   HD12  LEU   9          HD12      LEU   9  13.024  -6.184 -13.235
   58   HD13  LEU   9          HD13      LEU   9  13.274  -5.191 -11.801
   59   HD21  LEU   9          HD21      LEU   9  11.606  -8.318 -10.604
   60   HD22  LEU   9          HD22      LEU   9  13.017  -7.293 -10.346
   61   HD23  LEU   9          HD23      LEU   9  12.843  -8.190 -11.854
   62    H    ALA  10           HN       ALA  10   9.119  -7.095  -7.446
   63    HA   ALA  10           HA       ALA  10   7.639  -4.744  -6.785
   64    HB1  ALA  10           HB1      ALA  10   7.400  -5.774  -4.580
   65    HB2  ALA  10           HB2      ALA  10   8.589  -6.999  -5.024
   66    HB3  ALA  10           HB3      ALA  10   7.042  -6.925  -5.867
   67    HA   PRO  11           HA       PRO  11  11.189  -2.310  -5.581
   68    HB2  PRO  11           HB2      PRO  11   9.205  -0.623  -4.204
   69    HB3  PRO  11           HB1      PRO  11  10.325  -0.204  -5.500
   70    HG2  PRO  11           HG2      PRO  11   7.695  -0.428  -5.943
   71    HG3  PRO  11           HG1      PRO  11   8.886  -0.932  -7.157
   72    HD2  PRO  11           HD2      PRO  11   7.289  -2.608  -5.257
   73    HD3  PRO  11           HD1      PRO  11   7.684  -2.898  -6.963
   74    H    GLY  12           HN       GLY  12   9.135  -3.992  -3.525
   75    HA2  GLY  12           HA2      GLY  12   9.631  -4.878  -1.432
   76    HA3  GLY  12           HA1      GLY  12  11.023  -3.807  -1.338
   77    H    ALA  13           HN       ALA  13  10.811  -2.582   0.419
   78    HA   ALA  13           HA       ALA  13   8.182  -1.626   1.221
   79    HB1  ALA  13           HB1      ALA  13   9.310  -0.788   3.212
   80    HB2  ALA  13           HB2      ALA  13  10.875  -1.215   2.521
   81    HB3  ALA  13           HB3      ALA  13   9.718  -2.481   2.933
   82    H    ARG  14           HN       ARG  14   8.032  -0.369  -0.813
   83    HA   ARG  14           HA       ARG  14   8.993   2.346  -0.357
   84    HB2  ARG  14           HB2      ARG  14   9.438   0.831  -2.932
   85    HB3  ARG  14           HB1      ARG  14   9.594   2.573  -2.783
   86    HG2  ARG  14           HG2      ARG  14  11.390   2.246  -1.132
   87    HG3  ARG  14           HG1      ARG  14  11.256   0.502  -1.367
   88    HD2  ARG  14           HD2      ARG  14  11.822   0.762  -3.722
   89    HD3  ARG  14           HD1      ARG  14  11.921   2.510  -3.515
   90    HE   ARG  14           HE       ARG  14  13.741   0.590  -2.206
   91   HH11  ARG  14          HH11      ARG  14  13.110   3.708  -3.683
   92   HH12  ARG  14          HH12      ARG  14  14.768   4.212  -3.609
   93   HH21  ARG  14          HH21      ARG  14  15.911   1.264  -2.092
   94   HH22  ARG  14          HH22      ARG  14  16.360   2.826  -2.703
   95    H    CYS  15           HN       CYS  15   7.449   3.773  -0.707
   96    HA   CYS  15           HA       CYS  15   4.844   3.096  -1.559
   97    HB2  CYS  15           HB2      CYS  15   5.161   4.957  -0.088
   98    HB3  CYS  15           HB1      CYS  15   6.310   5.711  -1.180
   99    H    GLY  16           HN       GLY  16   4.241   2.621  -3.577
  100    HA2  GLY  16           HA2      GLY  16   5.946   2.754  -5.787
  101    HA3  GLY  16           HA1      GLY  16   4.216   2.477  -5.866
  102    H    VAL  17           HN       VAL  17   3.814   5.155  -4.529
  103    HA   VAL  17           HA       VAL  17   3.649   6.703  -6.944
  104    HB   VAL  17           HB       VAL  17   3.067   7.543  -4.099
  105   HG11  VAL  17          HG11      VAL  17   1.648   9.256  -5.125
  106   HG12  VAL  17          HG12      VAL  17   2.172   8.728  -6.724
  107   HG13  VAL  17          HG13      VAL  17   3.336   9.435  -5.603
  108   HG21  VAL  17          HG21      VAL  17   1.734   5.601  -4.698
  109   HG22  VAL  17          HG22      VAL  17   1.215   6.392  -6.187
  110   HG23  VAL  17          HG23      VAL  17   0.717   7.041  -4.625
  111    H    CYS  18           HN       CYS  18   5.791   6.502  -4.215
  112    HA   CYS  18           HA       CYS  18   7.048   9.054  -4.952
  113    HB2  CYS  18           HB2      CYS  18   7.079   7.510  -2.361
  114    HB3  CYS  18           HB1      CYS  18   8.050   8.948  -2.656
  115    H    GLY  19           HN       GLY  19   7.670   5.642  -4.576
  116    HA2  GLY  19           HA2      GLY  19   9.529   4.428  -5.290
  117    HA3  GLY  19           HA1      GLY  19  10.355   5.941  -5.644
  118    H    ASP  20           HN       ASP  20   9.212   6.550  -2.764
  119    HA   ASP  20           HA       ASP  20  11.648   5.662  -1.392
  120    HB2  ASP  20           HB2      ASP  20  11.561   8.042  -1.466
  121    HB3  ASP  20           HB1      ASP  20   9.858   8.066  -1.024
  122    H    GLY  21           HN       GLY  21  11.525   4.816   0.701
  123    HA2  GLY  21           HA2      GLY  21   8.816   3.993   1.542
  124    HA3  GLY  21           HA1      GLY  21  10.218   2.942   1.672
  125    H    THR  22           HN       THR  22  10.467   6.351   2.388
  126    HA   THR  22           HA       THR  22  11.274   5.779   5.089
  127    HB   THR  22           HB       THR  22  10.746   8.474   3.822
  128    HG1  THR  22           HG1      THR  22  12.371   7.646   2.616
  129   HG21  THR  22          HG21      THR  22  12.221   9.329   5.568
  130   HG22  THR  22          HG22      THR  22  12.422   7.700   6.212
  131   HG23  THR  22          HG23      THR  22  10.844   8.487   6.281
  132    H    ASP  23           HN       ASP  23   9.933   5.518   6.731
  133    HA   ASP  23           HA       ASP  23   8.012   5.344   7.923
  134    HB2  ASP  23           HB2      ASP  23   8.421   7.710   8.358
  135    HB3  ASP  23           HB1      ASP  23   7.602   8.153   6.869
  136    H    VAL  24           HN       VAL  24   7.604   3.760   6.133
  137    HA   VAL  24           HA       VAL  24   5.450   4.577   4.337
  138    HB   VAL  24           HB       VAL  24   7.538   3.330   3.533
  139   HG11  VAL  24          HG11      VAL  24   6.096   0.989   4.746
  140   HG12  VAL  24          HG12      VAL  24   7.649   1.640   5.266
  141   HG13  VAL  24          HG13      VAL  24   7.492   0.899   3.673
  142   HG21  VAL  24          HG21      VAL  24   6.318   2.131   1.845
  143   HG22  VAL  24          HG22      VAL  24   5.524   3.667   2.193
  144   HG23  VAL  24          HG23      VAL  24   4.860   2.165   2.839
  145    H    LEU  25           HN       LEU  25   3.503   3.403   4.209
  146    HA   LEU  25           HA       LEU  25   2.832   1.934   6.657
  147    HB2  LEU  25           HB2      LEU  25   1.109   3.337   4.614
  148    HB3  LEU  25           HB1      LEU  25   0.463   2.345   5.907
  149    HG   LEU  25           HG       LEU  25   2.141   4.816   6.341
  150   HD11  LEU  25          HD11      LEU  25   0.033   5.888   6.978
  151   HD12  LEU  25          HD12      LEU  25  -0.847   4.444   6.472
  152   HD13  LEU  25          HD13      LEU  25   0.040   5.400   5.283
  153   HD21  LEU  25          HD21      LEU  25   2.267   3.252   8.183
  154   HD22  LEU  25          HD22      LEU  25   0.510   3.108   8.218
  155   HD23  LEU  25          HD23      LEU  25   1.279   4.638   8.642
  156    H    ARG  26           HN       ARG  26   1.897  -0.082   6.545
  157    HA   ARG  26           HA       ARG  26   2.057  -1.390   3.912
  158    HB2  ARG  26           HB2      ARG  26   2.645  -2.456   6.672
  159    HB3  ARG  26           HB1      ARG  26   2.350  -3.517   5.306
  160    HG2  ARG  26           HG2      ARG  26   4.696  -3.339   5.562
  161    HG3  ARG  26           HG1      ARG  26   4.262  -2.401   4.135
  162    HD2  ARG  26           HD2      ARG  26   5.915  -1.253   5.547
  163    HD3  ARG  26           HD1      ARG  26   4.414  -0.344   5.397
  164    HE   ARG  26           HE       ARG  26   3.905  -1.524   7.655
  165   HH11  ARG  26          HH11      ARG  26   7.017  -0.294   6.633
  166   HH12  ARG  26          HH12      ARG  26   7.543   0.069   8.245
  167   HH21  ARG  26          HH21      ARG  26   4.605  -1.080   9.768
  168   HH22  ARG  26          HH22      ARG  26   6.176  -0.385  10.028
  169    H    CYS  27           HN       CYS  27   0.336  -2.501   3.201
  170    HA   CYS  27           HA       CYS  27  -2.213  -2.205   4.327
  171    HB2  CYS  27           HB2      CYS  27  -1.603  -2.832   1.925
  172    HB3  CYS  27           HB1      CYS  27  -1.381  -4.486   2.505
  173    H    THR  28           HN       THR  28  -3.411  -3.469   5.710
  174    HA   THR  28           HA       THR  28  -1.920  -5.451   7.235
  175    HB   THR  28           HB       THR  28  -3.946  -5.452   8.708
  176    HG1  THR  28           HG1      THR  28  -5.694  -4.533   7.971
  177   HG21  THR  28          HG21      THR  28  -2.030  -3.997   9.176
  178   HG22  THR  28          HG22      THR  28  -3.546  -3.223   9.634
  179   HG23  THR  28          HG23      THR  28  -2.726  -2.745   8.148
  180    H    HIS  29           HN       HIS  29  -4.185  -5.349   4.703
  181    HA   HIS  29           HA       HIS  29  -5.185  -8.033   5.271
  182    HB2  HIS  29           HB2      HIS  29  -5.969  -5.995   3.186
  183    HB3  HIS  29           HB1      HIS  29  -6.631  -7.624   3.244
  184    HD1  HIS  29           HD1      HIS  29  -8.279  -8.174   5.171
  185    HD2  HIS  29           HD2      HIS  29  -6.932  -4.241   5.137
  186    HE1  HIS  29           HE1      HIS  29  -9.793  -6.926   6.739
  187    HE2  HIS  29           HE2      HIS  29  -9.061  -4.523   6.581
  188    H    CYS  30           HN       CYS  30  -2.915  -6.389   3.285
  189    HA   CYS  30           HA       CYS  30  -1.991  -8.923   2.267
  190    HB2  CYS  30           HB2      CYS  30  -2.208  -8.500  -0.020
  191    HB3  CYS  30           HB1      CYS  30  -3.738  -7.926   0.626
  192    H    ALA  31           HN       ALA  31  -0.115  -7.969   0.462
  193    HA   ALA  31           HA       ALA  31   1.622  -6.461   2.275
  194    HB1  ALA  31           HB1      ALA  31   2.423  -8.684   1.640
  195    HB2  ALA  31           HB2      ALA  31   3.493  -7.418   1.039
  196    HB3  ALA  31           HB3      ALA  31   2.369  -8.217  -0.060
  197    H    ALA  32           HN       ALA  32   1.862  -4.383   1.829
  198    HA   ALA  32           HA       ALA  32   2.534  -3.436  -0.771
  199    HB1  ALA  32           HB1      ALA  32   0.619  -1.973  -1.146
  200    HB2  ALA  32           HB2      ALA  32  -0.169  -2.614   0.295
  201    HB3  ALA  32           HB3      ALA  32   0.112  -3.661  -1.094
  202    H    ALA  33           HN       ALA  33   3.971  -1.919  -0.377
  203    HA   ALA  33           HA       ALA  33   3.846  -0.356   2.111
  204    HB1  ALA  33           HB1      ALA  33   6.165   0.169   1.691
  205    HB2  ALA  33           HB2      ALA  33   6.088  -0.603   0.110
  206    HB3  ALA  33           HB3      ALA  33   5.927  -1.574   1.573
  207    H    PHE  34           HN       PHE  34   2.937   1.594   2.003
  208    HA   PHE  34           HA       PHE  34   3.602   3.420  -0.130
  209    HB2  PHE  34           HB2      PHE  34   1.239   3.869  -0.751
  210    HB3  PHE  34           HB1      PHE  34   1.758   2.245  -1.190
  211    HD1  PHE  34           HD2      PHE  34   0.938   0.300   0.056
  212    HD2  PHE  34           HD1      PHE  34  -0.462   4.232   0.879
  213    HE1  PHE  34           HE2      PHE  34  -0.975  -0.642   1.281
  214    HE2  PHE  34           HE1      PHE  34  -2.376   3.299   2.105
  215    HZ   PHE  34           HZ       PHE  34  -2.630   0.852   2.311
  216    H    HIS  35           HN       HIS  35   2.657   5.601   0.282
  217    HA   HIS  35           HA       HIS  35   2.310   6.058   3.156
  218    HB2  HIS  35           HB2      HIS  35   2.556   8.130   0.958
  219    HB3  HIS  35           HB1      HIS  35   2.637   8.420   2.687
  220    HD2  HIS  35           HD2      HIS  35   4.953   6.382   3.583
  221    HE1  HIS  35           HE1      HIS  35   7.189   8.144   0.444
  222    HE2  HIS  35           HE2      HIS  35   7.322   6.938   2.679
  223    H    TRP  36           HN       TRP  36   0.430   6.931   4.003
  224    HA   TRP  36           HA       TRP  36  -1.977   6.237   2.756
  225    HB2  TRP  36           HB2      TRP  36  -1.618   6.514   5.221
  226    HB3  TRP  36           HB1      TRP  36  -1.622   8.255   4.979
  227    HD1  TRP  36           HD1      TRP  36  -3.886   9.321   5.489
  228    HE1  TRP  36           HE1      TRP  36  -6.343   8.561   5.451
  229    HE3  TRP  36           HE3      TRP  36  -3.231   4.563   3.745
  230    HZ2  TRP  36           HZ2      TRP  36  -7.810   6.249   4.761
  231    HZ3  TRP  36           HZ3      TRP  36  -5.212   3.143   3.423
  232    HH2  TRP  36           HH2      TRP  36  -7.454   3.968   3.922
  233    H    ARG  37           HN       ARG  37  -0.392   9.388   3.093
  234    HA   ARG  37           HA       ARG  37  -2.470  10.925   1.951
  235    HB2  ARG  37           HB2      ARG  37   0.488  11.492   2.148
  236    HB3  ARG  37           HB1      ARG  37  -0.725  12.675   1.686
  237    HG2  ARG  37           HG2      ARG  37  -1.803  12.382   3.886
  238    HG3  ARG  37           HG1      ARG  37  -0.503  11.279   4.343
  239    HD2  ARG  37           HD2      ARG  37  -0.164  14.164   3.536
  240    HD3  ARG  37           HD1      ARG  37  -0.118  13.552   5.186
  241    HE   ARG  37           HE       ARG  37   1.880  12.261   4.486
  242   HH11  ARG  37          HH11      ARG  37   0.951  15.115   2.671
  243   HH12  ARG  37          HH12      ARG  37   2.564  15.444   2.123
  244   HH21  ARG  37          HH21      ARG  37   4.010  12.710   3.773
  245   HH22  ARG  37          HH22      ARG  37   4.293  14.086   2.753
  246    H    CYS  38           HN       CYS  38  -0.276   8.801   0.509
  247    HA   CYS  38           HA       CYS  38  -0.266  10.149  -2.061
  248    HB2  CYS  38           HB2      CYS  38   0.959   7.500  -1.260
  249    HB3  CYS  38           HB1      CYS  38   1.270   8.388  -2.754
  250    H    HIS  39           HN       HIS  39  -2.043   7.769  -0.388
  251    HA   HIS  39           HA       HIS  39  -3.221   6.765  -2.883
  252    HB2  HIS  39           HB2      HIS  39  -2.957   5.660  -0.134
  253    HB3  HIS  39           HB1      HIS  39  -4.364   5.186  -1.080
  254    HD1  HIS  39           HD1      HIS  39  -3.999   3.095  -2.281
  255    HD2  HIS  39           HD2      HIS  39  -0.478   5.264  -1.906
  256    HE1  HIS  39           HE1      HIS  39  -2.215   1.674  -3.336
  257    HE2  HIS  39           HE2      HIS  39  -0.154   3.116  -3.313
  258    H    PHE  40           HN       PHE  40  -4.019   8.297   0.183
  259    HA   PHE  40           HA       PHE  40  -6.670   8.945  -0.909
  260    HB2  PHE  40           HB2      PHE  40  -5.991   8.026   1.893
  261    HB3  PHE  40           HB1      PHE  40  -7.535   8.752   1.456
  262    HD1  PHE  40           HD2      PHE  40  -9.116   7.559   0.050
  263    HD2  PHE  40           HD1      PHE  40  -5.428   5.785   1.214
  264    HE1  PHE  40           HE2      PHE  40  -9.964   5.354  -0.637
  265    HE2  PHE  40           HE1      PHE  40  -6.266   3.578   0.523
  266    HZ   PHE  40           HZ       PHE  40  -8.539   3.360  -0.401
  267    HA   PRO  41           HA       PRO  41  -5.908  13.170   0.117
  268    HB2  PRO  41           HB2      PRO  41  -8.475  13.261   1.591
  269    HB3  PRO  41           HB1      PRO  41  -7.939  14.222   0.212
  270    HG2  PRO  41           HG2      PRO  41  -9.766  12.310  -0.089
  271    HG3  PRO  41           HG1      PRO  41  -8.519  12.584  -1.322
  272    HD2  PRO  41           HD2      PRO  41  -8.663  10.469   0.791
  273    HD3  PRO  41           HD1      PRO  41  -8.160  10.332  -0.906
  274    H    ALA  42           HN       ALA  42  -5.107  14.420   1.721
  275    HA   ALA  42           HA       ALA  42  -4.245  13.149   4.094
  276    HB1  ALA  42           HB1      ALA  42  -3.266  15.319   4.669
  277    HB2  ALA  42           HB2      ALA  42  -4.161  16.070   3.347
  278    HB3  ALA  42           HB3      ALA  42  -2.917  14.867   3.000
  279    H    GLY  43           HN       GLY  43  -7.041  15.012   3.326
  280    HA2  GLY  43           HA2      GLY  43  -7.708  15.630   6.066
  281    HA3  GLY  43           HA1      GLY  43  -8.739  15.857   4.660
  282    H    THR  44           HN       THR  44  -7.772  12.829   4.258
  283    HA   THR  44           HA       THR  44 -10.149  11.742   5.563
  284    HB   THR  44           HB       THR  44  -8.318  10.451   3.525
  285    HG1  THR  44           HG1      THR  44  -9.869  12.443   3.103
  286   HG21  THR  44          HG21      THR  44 -10.177   8.885   3.190
  287   HG22  THR  44          HG22      THR  44 -11.086   9.689   4.470
  288   HG23  THR  44          HG23      THR  44  -9.594   8.833   4.854
  289    H    SER  45           HN       SER  45 -10.050  10.262   7.177
  290    HA   SER  45           HA       SER  45  -7.455   9.861   8.412
  291    HB2  SER  45           HB2      SER  45  -8.885   8.861  10.261
  292    HB3  SER  45           HB1      SER  45  -9.160  10.568   9.914
  293    HG   SER  45           HG       SER  45 -10.768   8.336   9.285
  294    H    ARG  46           HN       ARG  46  -6.643   7.828   8.990
  295    HA   ARG  46           HA       ARG  46  -7.202   5.772   7.056
  296    HB2  ARG  46           HB2      ARG  46  -5.248   4.692   7.915
  297    HB3  ARG  46           HB1      ARG  46  -4.899   6.408   7.817
  298    HG2  ARG  46           HG2      ARG  46  -5.502   6.530  10.278
  299    HG3  ARG  46           HG1      ARG  46  -5.447   4.765  10.268
  300    HD2  ARG  46           HD2      ARG  46  -3.317   5.648  10.998
  301    HD3  ARG  46           HD1      ARG  46  -3.135   4.871   9.424
  302    HE   ARG  46           HE       ARG  46  -3.652   7.670   9.199
  303   HH11  ARG  46          HH11      ARG  46  -1.131   5.324   9.811
  304   HH12  ARG  46          HH12      ARG  46   0.140   6.364   9.243
  305   HH21  ARG  46          HH21      ARG  46  -1.978   9.042   8.465
  306   HH22  ARG  46          HH22      ARG  46  -0.338   8.470   8.490
  307    HA   PRO  47           HA       PRO  47 -10.046   3.410   9.481
  308    HB2  PRO  47           HB2      PRO  47  -9.416   0.907   8.527
  309    HB3  PRO  47           HB1      PRO  47 -10.455   2.060   7.683
  310    HG2  PRO  47           HG2      PRO  47  -7.559   1.449   7.258
  311    HG3  PRO  47           HG1      PRO  47  -8.830   1.754   6.058
  312    HD2  PRO  47           HD2      PRO  47  -7.031   3.639   6.733
  313    HD3  PRO  47           HD1      PRO  47  -8.713   4.048   6.332
  314    H    GLY  48           HN       GLY  48  -9.968   2.654  11.493
  315    HA2  GLY  48           HA2      GLY  48  -7.390   2.037  12.660
  316    HA3  GLY  48           HA1      GLY  48  -8.907   2.238  13.521
  317    H    THR  49           HN       THR  49  -9.641   0.224  11.084
  318    HA   THR  49           HA       THR  49  -9.368  -2.145  12.749
  319    HB   THR  49           HB       THR  49 -10.691  -3.236  10.899
  320    HG1  THR  49           HG1      THR  49 -11.457  -0.751   9.925
  321   HG21  THR  49          HG21      THR  49 -12.796  -2.103  11.482
  322   HG22  THR  49          HG22      THR  49 -11.876  -0.776  12.189
  323   HG23  THR  49          HG23      THR  49 -11.787  -2.386  12.897
  324    H    GLY  50           HN       GLY  50  -7.604  -0.584  10.380
  325    HA2  GLY  50           HA2      GLY  50  -5.427  -2.021  10.152
  326    HA3  GLY  50           HA1      GLY  50  -6.517  -3.035   9.219
  327    H    LEU  51           HN       LEU  51  -4.111  -1.231   8.647
  328    HA   LEU  51           HA       LEU  51  -4.964   0.861   6.961
  329    HB2  LEU  51           HB2      LEU  51  -2.614   0.142   8.031
  330    HB3  LEU  51           HB1      LEU  51  -2.393  -0.532   6.430
  331    HG   LEU  51           HG       LEU  51  -1.397   1.696   6.635
  332   HD11  LEU  51          HD11      LEU  51  -2.182   0.980   4.456
  333   HD12  LEU  51          HD12      LEU  51  -2.402   2.717   4.662
  334   HD13  LEU  51          HD13      LEU  51  -3.783   1.630   4.802
  335   HD21  LEU  51          HD21      LEU  51  -2.929   2.616   8.304
  336   HD22  LEU  51          HD22      LEU  51  -4.215   2.660   7.099
  337   HD23  LEU  51          HD23      LEU  51  -2.786   3.671   6.899
  338    H    ARG  52           HN       ARG  52  -5.806   0.794   4.975
  339    HA   ARG  52           HA       ARG  52  -5.768  -1.773   3.535
  340    HB2  ARG  52           HB2      ARG  52  -7.732   0.526   3.430
  341    HB3  ARG  52           HB1      ARG  52  -7.795  -0.869   2.365
  342    HG2  ARG  52           HG2      ARG  52  -8.309  -2.331   4.153
  343    HG3  ARG  52           HG1      ARG  52  -7.937  -1.093   5.360
  344    HD2  ARG  52           HD2      ARG  52  -9.820   0.253   4.538
  345    HD3  ARG  52           HD1      ARG  52 -10.197  -1.001   3.359
  346    HE   ARG  52           HE       ARG  52 -10.308  -2.368   5.655
  347   HH11  ARG  52          HH11      ARG  52 -11.701   0.709   4.734
  348   HH12  ARG  52          HH12      ARG  52 -13.079   0.540   5.774
  349   HH21  ARG  52          HH21      ARG  52 -12.124  -2.599   7.018
  350   HH22  ARG  52          HH22      ARG  52 -13.334  -1.357   7.052
  351    H    CYS  53           HN       CYS  53  -4.949  -1.885   1.522
  352    HA   CYS  53           HA       CYS  53  -3.713   0.474   0.375
  353    HB2  CYS  53           HB2      CYS  53  -2.648  -1.008  -1.158
  354    HB3  CYS  53           HB1      CYS  53  -2.624  -1.818   0.405
  355    H    ARG  54           HN       ARG  54  -3.967   0.297  -2.298
  356    HA   ARG  54           HA       ARG  54  -6.560   1.368  -2.658
  357    HB2  ARG  54           HB2      ARG  54  -5.986   1.591  -5.026
  358    HB3  ARG  54           HB1      ARG  54  -4.690   2.168  -3.994
  359    HG2  ARG  54           HG2      ARG  54  -3.429   0.144  -4.399
  360    HG3  ARG  54           HG1      ARG  54  -4.751  -0.508  -5.370
  361    HD2  ARG  54           HD2      ARG  54  -4.495   1.332  -6.959
  362    HD3  ARG  54           HD1      ARG  54  -3.188   2.000  -5.983
  363    HE   ARG  54           HE       ARG  54  -2.684  -0.698  -6.760
  364   HH11  ARG  54          HH11      ARG  54  -2.574   2.611  -7.895
  365   HH12  ARG  54          HH12      ARG  54  -1.312   2.307  -9.043
  366   HH21  ARG  54          HH21      ARG  54  -1.020  -1.101  -8.274
  367   HH22  ARG  54          HH22      ARG  54  -0.419   0.197  -9.255
  368    H    SER  55           HN       SER  55  -5.162  -1.780  -3.475
  369    HA   SER  55           HA       SER  55  -7.382  -2.656  -5.006
  370    HB2  SER  55           HB2      SER  55  -5.172  -3.665  -5.257
  371    HB3  SER  55           HB1      SER  55  -5.237  -4.256  -3.602
  372    HG   SER  55           HG       SER  55  -6.269  -5.924  -4.329
  373    H    CYS  56           HN       CYS  56  -6.420  -3.267  -1.625
  374    HA   CYS  56           HA       CYS  56  -8.656  -4.903  -1.036
  375    HB2  CYS  56           HB2      CYS  56  -6.825  -3.350   0.799
  376    HB3  CYS  56           HB1      CYS  56  -8.038  -4.492   1.363
  377    H    SER  57           HN       SER  57  -8.076  -1.416  -0.674
  378    HA   SER  57           HA       SER  57 -10.566  -0.974   0.688
  379    HB2  SER  57           HB2      SER  57  -8.553   0.503   0.950
  380    HB3  SER  57           HB1      SER  57  -8.814   1.071  -0.697
  381    HG   SER  57           HG       SER  57 -10.653   2.066  -0.085
  382    H    GLY  58           HN       GLY  58  -9.681  -1.500  -2.528
  383    HA2  GLY  58           HA2      GLY  58 -11.616   0.099  -3.856
  384    HA3  GLY  58           HA1      GLY  58 -10.779  -1.291  -4.530
  385    H    ASP  59           HN       ASP  59 -11.969  -2.594  -1.885
  386    HA   ASP  59           HA       ASP  59 -14.306  -3.640  -3.255
  387    HB2  ASP  59           HB2      ASP  59 -12.619  -5.085  -2.009
  388    HB3  ASP  59           HB1      ASP  59 -13.273  -4.411  -0.522
  389    H    VAL  60           HN       VAL  60 -13.566  -1.183  -1.172
  390    HA   VAL  60           HA       VAL  60 -16.143  -1.167   0.200
  391    HB   VAL  60           HB       VAL  60 -13.956   0.906   0.426
  392   HG11  VAL  60          HG11      VAL  60 -14.995   1.373   2.597
  393   HG12  VAL  60          HG12      VAL  60 -16.222   0.151   2.268
  394   HG13  VAL  60          HG13      VAL  60 -16.130   1.601   1.268
  395   HG21  VAL  60          HG21      VAL  60 -12.986  -1.246   0.981
  396   HG22  VAL  60          HG22      VAL  60 -14.327  -1.593   2.074
  397   HG23  VAL  60          HG23      VAL  60 -13.204  -0.284   2.444
  398    H    THR  61           HN       THR  61 -17.123  -0.972  -1.995
  399    HA   THR  61           HA       THR  61 -17.267   1.851  -2.794
  400    HB   THR  61           HB       THR  61 -16.156   0.651  -4.568
  401    HG1  THR  61           HG1      THR  61 -17.524   2.124  -5.443
  402   HG21  THR  61          HG21      THR  61 -16.871  -1.617  -4.036
  403   HG22  THR  61          HG22      THR  61 -17.196  -1.242  -5.727
  404   HG23  THR  61          HG23      THR  61 -18.512  -1.235  -4.554
  405    HA   PRO  62           HA       PRO  62 -21.486   1.561  -1.511
  406    HB2  PRO  62           HB2      PRO  62 -22.454   3.632  -3.056
  407    HB3  PRO  62           HB1      PRO  62 -21.649   3.832  -1.499
  408    HG2  PRO  62           HG2      PRO  62 -20.539   4.117  -4.257
  409    HG3  PRO  62           HG1      PRO  62 -20.227   5.099  -2.815
  410    HD2  PRO  62           HD2      PRO  62 -18.475   3.256  -3.676
  411    HD3  PRO  62           HD1      PRO  62 -18.724   3.566  -1.944
  412    H    ALA  63           HN       ALA  63 -23.185   0.405  -2.161
  413    HA   ALA  63           HA       ALA  63 -23.112  -0.886  -4.700
  414    HB1  ALA  63           HB1      ALA  63 -25.084  -2.080  -3.929
  415    HB2  ALA  63           HB2      ALA  63 -25.253  -0.958  -2.579
  416    HB3  ALA  63           HB3      ALA  63 -23.855  -2.029  -2.666
  417    HA   PRO  64           HA       PRO  64 -25.546   2.164  -6.855
  418    HB2  PRO  64           HB2      PRO  64 -25.734   0.810  -9.198
  419    HB3  PRO  64           HB1      PRO  64 -24.268   1.663  -8.699
  420    HG2  PRO  64           HG2      PRO  64 -24.914  -1.254  -8.536
  421    HG3  PRO  64           HG1      PRO  64 -23.399  -0.467  -9.015
  422    HD2  PRO  64           HD2      PRO  64 -23.798  -1.528  -6.547
  423    HD3  PRO  64           HD1      PRO  64 -22.738  -0.134  -6.839
  424    H    VAL  65           HN       VAL  65 -27.565   2.200  -5.978
  425    HA   VAL  65           HA       VAL  65 -29.435   0.089  -6.845
  426    HB   VAL  65           HB       VAL  65 -30.821   0.653  -4.872
  427   HG11  VAL  65          HG11      VAL  65 -27.987  -0.161  -4.242
  428   HG12  VAL  65          HG12      VAL  65 -29.299  -1.227  -4.743
  429   HG13  VAL  65          HG13      VAL  65 -29.376  -0.406  -3.184
  430   HG21  VAL  65          HG21      VAL  65 -28.470   2.367  -4.069
  431   HG22  VAL  65          HG22      VAL  65 -29.864   1.994  -3.058
  432   HG23  VAL  65          HG23      VAL  65 -30.071   2.947  -4.526
  433    H    GLU  66           HN       GLU  66 -28.507   2.847  -7.872
  434    HA   GLU  66           HA       GLU  66 -31.156   3.808  -8.580
  435    HB2  GLU  66           HB2      GLU  66 -30.281   6.196  -8.114
  436    HB3  GLU  66           HB1      GLU  66 -30.843   5.232  -6.757
  437    HG2  GLU  66           HG2      GLU  66 -28.528   4.647  -6.219
  438    HG3  GLU  66           HG1      GLU  66 -27.973   5.636  -7.568
  Start of MODEL   39
    1    H1   GLY   1           HT1      GLY   1  15.419 -28.751   4.059
    2    H2   GLY   1           HT2      GLY   1  15.344 -27.068   3.910
    3    H3   GLY   1           HT3      GLY   1  16.804 -27.877   3.632
    4    HA2  GLY   1           HA1      GLY   1  15.800 -27.226   1.544
    5    HA3  GLY   1           HA2      GLY   1  15.877 -28.975   1.702
    6    H    ALA   2           HN       ALA   2  14.187 -28.596  -0.057
    7    HA   ALA   2           HA       ALA   2  12.047 -28.755  -0.781
    8    HB1  ALA   2           HB1      ALA   2  10.438 -29.879   0.674
    9    HB2  ALA   2           HB2      ALA   2  11.513 -29.642   2.051
   10    HB3  ALA   2           HB3      ALA   2  12.008 -30.680   0.715
   11    H    MET   3           HN       MET   3  12.891 -26.200   0.051
   12    HA   MET   3           HA       MET   3  10.692 -25.020   1.545
   13    HB2  MET   3           HB2      MET   3  13.037 -24.314   1.961
   14    HB3  MET   3           HB1      MET   3  13.130 -23.723   0.309
   15    HG2  MET   3           HG2      MET   3  11.303 -22.143   0.810
   16    HG3  MET   3           HG1      MET   3  11.329 -22.692   2.485
   17    HE1  MET   3           HE1      MET   3  11.717 -20.236   3.421
   18    HE2  MET   3           HE2      MET   3  11.551 -19.680   1.757
   19    HE3  MET   3           HE3      MET   3  12.908 -19.128   2.739
   20    H    GLU   4           HN       GLU   4   8.967 -24.117   0.603
   21    HA   GLU   4           HA       GLU   4   8.916 -23.830  -2.283
   22    HB2  GLU   4           HB2      GLU   4   6.553 -23.290  -2.012
   23    HB3  GLU   4           HB1      GLU   4   6.949 -24.761  -1.136
   24    HG2  GLU   4           HG2      GLU   4   6.917 -23.605   0.954
   25    HG3  GLU   4           HG1      GLU   4   6.756 -22.047   0.144
   26    H    GLY   5           HN       GLY   5   8.134 -21.794  -3.268
   27    HA2  GLY   5           HA2      GLY   5   9.145 -19.464  -1.758
   28    HA3  GLY   5           HA1      GLY   5   9.404 -19.679  -3.484
   29    H    GLN   6           HN       GLN   6   7.674 -17.999  -1.320
   30    HA   GLN   6           HA       GLN   6   5.349 -17.772  -3.108
   31    HB2  GLN   6           HB2      GLN   6   3.991 -17.119  -1.237
   32    HB3  GLN   6           HB1      GLN   6   4.815 -18.612  -0.822
   33    HG2  GLN   6           HG2      GLN   6   5.733 -15.884   0.063
   34    HG3  GLN   6           HG1      GLN   6   4.676 -16.926   1.010
   35   HE21  GLN   6          HE21      GLN   6   7.296 -15.881   1.652
   36   HE22  GLN   6          HE22      GLN   6   8.306 -17.253   1.962
   37    H    GLN   7           HN       GLN   7   8.009 -16.452  -3.130
   38    HA   GLN   7           HA       GLN   7   8.912 -14.447  -3.648
   39    HB2  GLN   7           HB2      GLN   7   6.918 -14.359  -5.169
   40    HB3  GLN   7           HB1      GLN   7   6.066 -13.462  -3.920
   41    HG2  GLN   7           HG2      GLN   7   7.806 -11.710  -4.053
   42    HG3  GLN   7           HG1      GLN   7   8.549 -12.594  -5.386
   43   HE21  GLN   7          HE21      GLN   7   7.494 -12.673  -7.378
   44   HE22  GLN   7          HE22      GLN   7   6.206 -11.590  -7.777
   45    H    ASN   8           HN       ASN   8   9.383 -14.670  -1.246
   46    HA   ASN   8           HA       ASN   8   7.963 -12.951   0.541
   47    HB2  ASN   8           HB2      ASN   8   9.917 -13.394   2.092
   48    HB3  ASN   8           HB1      ASN   8   9.029 -14.811   1.557
   49   HD21  ASN   8          HD21      ASN   8  10.727 -16.184   1.971
   50   HD22  ASN   8          HD22      ASN   8  12.151 -16.225   0.990
   51    H    LEU   9           HN       LEU   9  10.639 -12.568  -1.619
   52    HA   LEU   9           HA       LEU   9  11.243  -9.921  -0.536
   53    HB2  LEU   9           HB2      LEU   9  13.114 -11.402  -1.163
   54    HB3  LEU   9           HB1      LEU   9  12.524 -11.441  -2.813
   55    HG   LEU   9           HG       LEU   9  12.910  -8.982  -2.960
   56   HD11  LEU   9          HD11      LEU   9  12.780  -8.428  -0.600
   57   HD12  LEU   9          HD12      LEU   9  14.332  -7.924  -1.268
   58   HD13  LEU   9          HD13      LEU   9  14.229  -9.380  -0.278
   59   HD21  LEU   9          HD21      LEU   9  15.295 -10.681  -2.247
   60   HD22  LEU   9          HD22      LEU   9  15.356  -9.146  -3.113
   61   HD23  LEU   9          HD23      LEU   9  14.548 -10.537  -3.837
   62    H    ALA  10           HN       ALA  10   9.503  -8.683  -1.088
   63    HA   ALA  10           HA       ALA  10   8.128  -8.812  -3.536
   64    HB1  ALA  10           HB1      ALA  10   8.279  -6.531  -1.573
   65    HB2  ALA  10           HB2      ALA  10   7.139  -7.876  -1.512
   66    HB3  ALA  10           HB3      ALA  10   7.074  -6.724  -2.845
   67    HA   PRO  11           HA       PRO  11  10.904  -6.504  -6.165
   68    HB2  PRO  11           HB2      PRO  11   8.602  -6.047  -7.909
   69    HB3  PRO  11           HB1      PRO  11  10.061  -6.991  -8.213
   70    HG2  PRO  11           HG2      PRO  11   7.638  -8.133  -7.866
   71    HG3  PRO  11           HG1      PRO  11   9.145  -8.923  -7.373
   72    HD2  PRO  11           HD2      PRO  11   7.136  -7.461  -5.706
   73    HD3  PRO  11           HD1      PRO  11   8.020  -8.960  -5.356
   74    H    GLY  12           HN       GLY  12  10.732  -4.844  -4.353
   75    HA2  GLY  12           HA2      GLY  12  10.927  -2.477  -4.332
   76    HA3  GLY  12           HA1      GLY  12   9.660  -2.392  -5.548
   77    H    ALA  13           HN       ALA  13  10.286  -3.106  -2.142
   78    HA   ALA  13           HA       ALA  13   7.481  -2.664  -1.504
   79    HB1  ALA  13           HB1      ALA  13   8.137  -3.156   0.801
   80    HB2  ALA  13           HB2      ALA  13   9.832  -3.204   0.314
   81    HB3  ALA  13           HB3      ALA  13   8.703  -4.413  -0.299
   82    H    ARG  14           HN       ARG  14   7.602  -0.504  -2.437
   83    HA   ARG  14           HA       ARG  14   8.264   1.496  -0.430
   84    HB2  ARG  14           HB2      ARG  14   9.445   1.456  -3.209
   85    HB3  ARG  14           HB1      ARG  14   9.328   2.926  -2.253
   86    HG2  ARG  14           HG2      ARG  14  10.701   1.835  -0.502
   87    HG3  ARG  14           HG1      ARG  14  10.902   0.453  -1.581
   88    HD2  ARG  14           HD2      ARG  14  12.024   1.806  -3.206
   89    HD3  ARG  14           HD1      ARG  14  11.663   3.275  -2.302
   90    HE   ARG  14           HE       ARG  14  13.228   1.283  -0.894
   91   HH11  ARG  14          HH11      ARG  14  13.259   4.177  -2.872
   92   HH12  ARG  14          HH12      ARG  14  14.844   4.661  -2.359
   93   HH21  ARG  14          HH21      ARG  14  15.306   1.912  -0.213
   94   HH22  ARG  14          HH22      ARG  14  16.011   3.372  -0.835
   95    H    CYS  15           HN       CYS  15   7.357   3.615  -0.998
   96    HA   CYS  15           HA       CYS  15   4.751   3.434  -2.112
   97    HB2  CYS  15           HB2      CYS  15   5.152   5.043  -0.380
   98    HB3  CYS  15           HB1      CYS  15   6.481   5.764  -1.277
   99    H    GLY  16           HN       GLY  16   4.470   3.104  -4.233
  100    HA2  GLY  16           HA2      GLY  16   6.406   3.618  -6.214
  101    HA3  GLY  16           HA1      GLY  16   4.715   3.248  -6.512
  102    H    VAL  17           HN       VAL  17   4.162   5.713  -4.736
  103    HA   VAL  17           HA       VAL  17   3.953   7.590  -6.894
  104    HB   VAL  17           HB       VAL  17   3.410   8.000  -3.948
  105   HG11  VAL  17          HG11      VAL  17   2.473   9.563  -6.352
  106   HG12  VAL  17          HG12      VAL  17   3.654  10.099  -5.158
  107   HG13  VAL  17          HG13      VAL  17   1.975   9.843  -4.684
  108   HG21  VAL  17          HG21      VAL  17   2.079   6.164  -4.814
  109   HG22  VAL  17          HG22      VAL  17   1.541   7.163  -6.164
  110   HG23  VAL  17          HG23      VAL  17   1.055   7.570  -4.518
  111    H    CYS  18           HN       CYS  18   6.133   7.018  -4.248
  112    HA   CYS  18           HA       CYS  18   7.449   9.607  -4.721
  113    HB2  CYS  18           HB2      CYS  18   7.449   7.821  -2.287
  114    HB3  CYS  18           HB1      CYS  18   8.463   9.249  -2.455
  115    H    GLY  19           HN       GLY  19   7.936   6.155  -4.718
  116    HA2  GLY  19           HA2      GLY  19   9.736   4.944  -5.569
  117    HA3  GLY  19           HA1      GLY  19  10.604   6.456  -5.816
  118    H    ASP  20           HN       ASP  20   9.308   6.434  -2.800
  119    HA   ASP  20           HA       ASP  20  11.794   5.481  -1.548
  120    HB2  ASP  20           HB2      ASP  20  11.744   7.939  -1.625
  121    HB3  ASP  20           HB1      ASP  20  10.162   7.942  -0.856
  122    H    GLY  21           HN       GLY  21  11.515   4.702   0.665
  123    HA2  GLY  21           HA2      GLY  21   8.716   4.007   1.284
  124    HA3  GLY  21           HA1      GLY  21   9.965   2.775   1.277
  125    H    THR  22           HN       THR  22  10.654   5.996   2.485
  126    HA   THR  22           HA       THR  22  11.213   4.880   5.082
  127    HB   THR  22           HB       THR  22  12.547   6.782   4.036
  128    HG1  THR  22           HG1      THR  22  11.505   7.364   6.633
  129   HG21  THR  22          HG21      THR  22  10.180   8.408   4.972
  130   HG22  THR  22          HG22      THR  22  10.707   8.203   3.303
  131   HG23  THR  22          HG23      THR  22  11.730   9.064   4.451
  132    H    ASP  23           HN       ASP  23  10.019   4.978   6.886
  133    HA   ASP  23           HA       ASP  23   8.155   5.106   8.187
  134    HB2  ASP  23           HB2      ASP  23   7.925   7.817   6.854
  135    HB3  ASP  23           HB1      ASP  23   7.081   7.329   8.319
  136    H    VAL  24           HN       VAL  24   7.743   3.616   5.983
  137    HA   VAL  24           HA       VAL  24   5.458   4.625   4.509
  138    HB   VAL  24           HB       VAL  24   7.454   3.410   3.459
  139   HG11  VAL  24          HG11      VAL  24   7.281   0.962   3.338
  140   HG12  VAL  24          HG12      VAL  24   6.003   1.014   4.554
  141   HG13  VAL  24          HG13      VAL  24   7.635   1.543   4.964
  142   HG21  VAL  24          HG21      VAL  24   4.683   2.442   2.815
  143   HG22  VAL  24          HG22      VAL  24   6.083   2.382   1.743
  144   HG23  VAL  24          HG23      VAL  24   5.422   3.938   2.244
  145    H    LEU  25           HN       LEU  25   3.463   3.549   4.372
  146    HA   LEU  25           HA       LEU  25   2.808   2.041   6.780
  147    HB2  LEU  25           HB2      LEU  25   1.045   3.303   4.672
  148    HB3  LEU  25           HB1      LEU  25   0.454   2.438   6.080
  149    HG   LEU  25           HG       LEU  25   2.069   4.990   6.138
  150   HD11  LEU  25          HD11      LEU  25  -0.837   4.500   6.753
  151   HD12  LEU  25          HD12      LEU  25  -0.214   5.288   5.304
  152   HD13  LEU  25          HD13      LEU  25   0.016   6.038   6.884
  153   HD21  LEU  25          HD21      LEU  25   0.797   3.400   8.361
  154   HD22  LEU  25          HD22      LEU  25   1.518   4.999   8.535
  155   HD23  LEU  25          HD23      LEU  25   2.524   3.621   8.087
  156    H    ARG  26           HN       ARG  26   1.926   0.032   6.745
  157    HA   ARG  26           HA       ARG  26   2.249  -1.460   4.233
  158    HB2  ARG  26           HB2      ARG  26   2.421  -2.341   7.118
  159    HB3  ARG  26           HB1      ARG  26   2.473  -3.445   5.751
  160    HG2  ARG  26           HG2      ARG  26   4.430  -1.197   6.141
  161    HG3  ARG  26           HG1      ARG  26   4.693  -2.838   6.731
  162    HD2  ARG  26           HD2      ARG  26   4.252  -2.038   3.856
  163    HD3  ARG  26           HD1      ARG  26   5.794  -2.481   4.583
  164    HE   ARG  26           HE       ARG  26   3.836  -4.525   4.924
  165   HH11  ARG  26          HH11      ARG  26   6.133  -3.184   2.646
  166   HH12  ARG  26          HH12      ARG  26   6.271  -4.654   1.734
  167   HH21  ARG  26          HH21      ARG  26   4.046  -6.464   3.747
  168   HH22  ARG  26          HH22      ARG  26   5.113  -6.526   2.381
  169    H    CYS  27           HN       CYS  27   0.629  -2.789   3.513
  170    HA   CYS  27           HA       CYS  27  -2.019  -2.259   4.455
  171    HB2  CYS  27           HB2      CYS  27  -1.295  -2.834   2.045
  172    HB3  CYS  27           HB1      CYS  27  -1.283  -4.519   2.579
  173    H    THR  28           HN       THR  28  -3.415  -3.637   5.531
  174    HA   THR  28           HA       THR  28  -2.094  -5.588   7.234
  175    HB   THR  28           HB       THR  28  -4.375  -5.643   8.363
  176    HG1  THR  28           HG1      THR  28  -4.868  -3.233   6.968
  177   HG21  THR  28          HG21      THR  28  -2.932  -2.999   8.186
  178   HG22  THR  28          HG22      THR  28  -2.506  -4.342   9.246
  179   HG23  THR  28          HG23      THR  28  -4.031  -3.487   9.474
  180    H    HIS  29           HN       HIS  29  -4.514  -5.472   4.699
  181    HA   HIS  29           HA       HIS  29  -5.213  -8.261   5.117
  182    HB2  HIS  29           HB2      HIS  29  -6.281  -6.110   3.311
  183    HB3  HIS  29           HB1      HIS  29  -6.716  -7.799   3.068
  184    HD1  HIS  29           HD1      HIS  29  -8.722  -8.550   4.296
  185    HD2  HIS  29           HD2      HIS  29  -6.977  -5.226   6.079
  186    HE1  HIS  29           HE1      HIS  29 -10.250  -7.918   6.186
  187    HE2  HIS  29           HE2      HIS  29  -9.079  -6.018   7.353
  188    H    CYS  30           HN       CYS  30  -2.974  -6.495   3.302
  189    HA   CYS  30           HA       CYS  30  -2.083  -8.951   2.088
  190    HB2  CYS  30           HB2      CYS  30  -2.194  -8.352  -0.157
  191    HB3  CYS  30           HB1      CYS  30  -3.715  -7.726   0.463
  192    H    ALA  31           HN       ALA  31  -0.086  -8.005   0.494
  193    HA   ALA  31           HA       ALA  31   1.601  -6.588   2.419
  194    HB1  ALA  31           HB1      ALA  31   3.504  -7.590   1.285
  195    HB2  ALA  31           HB2      ALA  31   2.427  -8.324   0.097
  196    HB3  ALA  31           HB3      ALA  31   2.359  -8.837   1.783
  197    H    ALA  32           HN       ALA  32   1.893  -4.506   2.003
  198    HA   ALA  32           HA       ALA  32   2.662  -3.592  -0.597
  199    HB1  ALA  32           HB1      ALA  32   0.226  -3.686  -0.898
  200    HB2  ALA  32           HB2      ALA  32   0.829  -2.030  -0.958
  201    HB3  ALA  32           HB3      ALA  32   0.020  -2.622   0.493
  202    H    ALA  33           HN       ALA  33   3.689  -1.650  -0.524
  203    HA   ALA  33           HA       ALA  33   3.837  -0.301   2.097
  204    HB1  ALA  33           HB1      ALA  33   5.932  -1.433   1.472
  205    HB2  ALA  33           HB2      ALA  33   6.120   0.318   1.547
  206    HB3  ALA  33           HB3      ALA  33   5.987  -0.487  -0.016
  207    H    PHE  34           HN       PHE  34   2.780   1.562   2.031
  208    HA   PHE  34           HA       PHE  34   3.180   3.364  -0.218
  209    HB2  PHE  34           HB2      PHE  34   0.769   3.720  -0.561
  210    HB3  PHE  34           HB1      PHE  34   1.228   2.059  -0.916
  211    HD1  PHE  34           HD2      PHE  34   0.650   0.255   0.693
  212    HD2  PHE  34           HD1      PHE  34  -0.797   4.233   1.140
  213    HE1  PHE  34           HE2      PHE  34  -1.088  -0.554   2.234
  214    HE2  PHE  34           HE1      PHE  34  -2.536   3.430   2.685
  215    HZ   PHE  34           HZ       PHE  34  -2.701   1.034   3.213
  216    H    HIS  35           HN       HIS  35   2.633   5.543   0.268
  217    HA   HIS  35           HA       HIS  35   2.386   6.107   3.119
  218    HB2  HIS  35           HB2      HIS  35   2.740   8.053   0.822
  219    HB3  HIS  35           HB1      HIS  35   2.822   8.444   2.533
  220    HD2  HIS  35           HD2      HIS  35   4.912   5.961   3.319
  221    HE1  HIS  35           HE1      HIS  35   7.414   8.015   0.591
  222    HE2  HIS  35           HE2      HIS  35   7.358   6.524   2.651
  223    H    TRP  36           HN       TRP  36   0.536   6.945   4.025
  224    HA   TRP  36           HA       TRP  36  -1.911   6.388   2.902
  225    HB2  TRP  36           HB2      TRP  36  -1.518   6.869   5.311
  226    HB3  TRP  36           HB1      TRP  36  -1.374   8.579   4.921
  227    HD1  TRP  36           HD1      TRP  36  -3.547   9.928   5.108
  228    HE1  TRP  36           HE1      TRP  36  -6.054   9.380   5.224
  229    HE3  TRP  36           HE3      TRP  36  -3.300   4.884   4.363
  230    HZ2  TRP  36           HZ2      TRP  36  -7.707   7.108   5.028
  231    HZ3  TRP  36           HZ3      TRP  36  -5.391   3.593   4.349
  232    HH2  TRP  36           HH2      TRP  36  -7.552   4.685   4.671
  233    H    ARG  37           HN       ARG  37  -0.339   9.571   3.040
  234    HA   ARG  37           HA       ARG  37  -2.374  11.036   1.788
  235    HB2  ARG  37           HB2      ARG  37   0.581  11.639   1.662
  236    HB3  ARG  37           HB1      ARG  37  -0.741  12.785   1.507
  237    HG2  ARG  37           HG2      ARG  37  -1.347  12.438   3.830
  238    HG3  ARG  37           HG1      ARG  37  -0.075  11.227   3.995
  239    HD2  ARG  37           HD2      ARG  37   1.560  13.018   3.320
  240    HD3  ARG  37           HD1      ARG  37   0.240  14.175   3.478
  241    HE   ARG  37           HE       ARG  37   0.624  12.548   5.814
  242   HH11  ARG  37          HH11      ARG  37   1.613  15.468   4.149
  243   HH12  ARG  37          HH12      ARG  37   2.224  16.226   5.582
  244   HH21  ARG  37          HH21      ARG  37   1.436  13.535   7.698
  245   HH22  ARG  37          HH22      ARG  37   2.113  15.128   7.609
  246    H    CYS  38           HN       CYS  38   0.144   9.056   0.452
  247    HA   CYS  38           HA       CYS  38   0.038  10.238  -2.167
  248    HB2  CYS  38           HB2      CYS  38   1.377   7.681  -1.282
  249    HB3  CYS  38           HB1      CYS  38   1.708   8.591  -2.754
  250    H    HIS  39           HN       HIS  39  -1.606   7.725  -0.508
  251    HA   HIS  39           HA       HIS  39  -2.571   6.612  -3.054
  252    HB2  HIS  39           HB2      HIS  39  -1.986   5.455  -0.430
  253    HB3  HIS  39           HB1      HIS  39  -3.532   4.942  -1.097
  254    HD1  HIS  39           HD1      HIS  39  -3.306   2.832  -2.313
  255    HD2  HIS  39           HD2      HIS  39   0.092   5.184  -2.721
  256    HE1  HIS  39           HE1      HIS  39  -1.703   1.463  -3.684
  257    HE2  HIS  39           HE2      HIS  39   0.244   3.007  -4.117
  258    H    PHE  40           HN       PHE  40  -3.556   8.189  -0.110
  259    HA   PHE  40           HA       PHE  40  -6.331   8.224  -1.091
  260    HB2  PHE  40           HB2      PHE  40  -5.387   7.912   1.770
  261    HB3  PHE  40           HB1      PHE  40  -7.062   8.170   1.294
  262    HD1  PHE  40           HD1      PHE  40  -4.274   5.798   1.319
  263    HD2  PHE  40           HD2      PHE  40  -8.366   6.399   0.320
  264    HE1  PHE  40           HE1      PHE  40  -4.568   3.370   1.071
  265    HE2  PHE  40           HE2      PHE  40  -8.666   3.970   0.073
  266    HZ   PHE  40           HZ       PHE  40  -6.770   2.455   0.440
  267    HA   PRO  41           HA       PRO  41  -6.011  12.652  -0.623
  268    HB2  PRO  41           HB2      PRO  41  -8.684  13.181  -0.438
  269    HB3  PRO  41           HB1      PRO  41  -7.865  12.850  -1.966
  270    HG2  PRO  41           HG2      PRO  41  -9.483  11.015  -0.247
  271    HG3  PRO  41           HG1      PRO  41  -9.482  11.186  -2.012
  272    HD2  PRO  41           HD2      PRO  41  -8.176   9.185  -0.769
  273    HD3  PRO  41           HD1      PRO  41  -7.560   9.929  -2.257
  274    H    ALA  42           HN       ALA  42  -6.370  14.239   0.948
  275    HA   ALA  42           HA       ALA  42  -5.915  13.310   3.556
  276    HB1  ALA  42           HB1      ALA  42  -5.895  15.660   4.205
  277    HB2  ALA  42           HB2      ALA  42  -6.610  16.101   2.655
  278    HB3  ALA  42           HB3      ALA  42  -4.994  15.401   2.712
  279    H    GLY  43           HN       GLY  43  -8.862  14.019   1.940
  280    HA2  GLY  43           HA2      GLY  43 -10.441  14.556   4.260
  281    HA3  GLY  43           HA1      GLY  43 -11.047  14.123   2.670
  282    H    THR  44           HN       THR  44  -9.073  11.708   3.017
  283    HA   THR  44           HA       THR  44 -11.082   9.958   4.180
  284    HB   THR  44           HB       THR  44  -8.387   9.184   3.038
  285    HG1  THR  44           HG1      THR  44 -10.335  10.326   1.733
  286   HG21  THR  44          HG21      THR  44 -10.951   7.612   3.344
  287   HG22  THR  44          HG22      THR  44  -9.550   7.476   4.405
  288   HG23  THR  44          HG23      THR  44  -9.420   7.006   2.711
  289    H    SER  45           HN       SER  45 -10.939   9.045   6.151
  290    HA   SER  45           HA       SER  45  -8.856  10.061   7.902
  291    HB2  SER  45           HB2      SER  45 -11.242  10.178   8.576
  292    HB3  SER  45           HB1      SER  45 -11.323   8.419   8.539
  293    HG   SER  45           HG       SER  45  -9.506   9.873  10.163
  294    H    ARG  46           HN       ARG  46  -7.338   8.835   8.911
  295    HA   ARG  46           HA       ARG  46  -6.628   6.357   7.725
  296    HB2  ARG  46           HB2      ARG  46  -5.009   8.008   8.693
  297    HB3  ARG  46           HB1      ARG  46  -5.566   7.543  10.295
  298    HG2  ARG  46           HG2      ARG  46  -4.814   5.250   9.890
  299    HG3  ARG  46           HG1      ARG  46  -4.252   5.723   8.286
  300    HD2  ARG  46           HD2      ARG  46  -3.236   6.754  10.931
  301    HD3  ARG  46           HD1      ARG  46  -2.393   5.670   9.828
  302    HE   ARG  46           HE       ARG  46  -3.148   8.287   8.793
  303   HH11  ARG  46          HH11      ARG  46  -0.632   6.221  10.089
  304   HH12  ARG  46          HH12      ARG  46   0.660   7.243   9.546
  305   HH21  ARG  46          HH21      ARG  46  -1.455   9.618   8.066
  306   HH22  ARG  46          HH22      ARG  46   0.190   9.172   8.381
  307    HA   PRO  47           HA       PRO  47  -9.493   3.977  10.175
  308    HB2  PRO  47           HB2      PRO  47  -8.790   1.549   9.166
  309    HB3  PRO  47           HB1      PRO  47  -9.825   2.694   8.305
  310    HG2  PRO  47           HG2      PRO  47  -6.890   2.185   7.986
  311    HG3  PRO  47           HG1      PRO  47  -8.131   2.404   6.736
  312    HD2  PRO  47           HD2      PRO  47  -6.463   4.399   7.446
  313    HD3  PRO  47           HD1      PRO  47  -8.149   4.701   6.975
  314    H    GLY  48           HN       GLY  48  -9.363   3.061  12.120
  315    HA2  GLY  48           HA2      GLY  48  -6.730   2.383  13.181
  316    HA3  GLY  48           HA1      GLY  48  -8.207   2.587  14.112
  317    H    THR  49           HN       THR  49  -9.201   0.795  11.648
  318    HA   THR  49           HA       THR  49  -9.034  -1.663  13.175
  319    HB   THR  49           HB       THR  49 -10.553  -2.497  11.281
  320    HG1  THR  49           HG1      THR  49 -11.626  -0.590  10.252
  321   HG21  THR  49          HG21      THR  49 -11.465  -0.183  12.994
  322   HG22  THR  49          HG22      THR  49 -11.398  -1.876  13.487
  323   HG23  THR  49          HG23      THR  49 -12.517  -1.367  12.222
  324    H    GLY  50           HN       GLY  50  -7.285  -0.184  10.724
  325    HA2  GLY  50           HA2      GLY  50  -5.239  -1.717  10.332
  326    HA3  GLY  50           HA1      GLY  50  -6.439  -2.738   9.556
  327    H    LEU  51           HN       LEU  51  -4.020  -1.027   8.699
  328    HA   LEU  51           HA       LEU  51  -5.008   0.858   6.824
  329    HB2  LEU  51           HB2      LEU  51  -2.436  -0.330   7.550
  330    HB3  LEU  51           HB1      LEU  51  -2.569   0.028   5.842
  331    HG   LEU  51           HG       LEU  51  -1.515   1.824   7.266
  332   HD11  LEU  51          HD11      LEU  51  -2.366   2.281   5.043
  333   HD12  LEU  51          HD12      LEU  51  -2.687   3.641   6.120
  334   HD13  LEU  51          HD13      LEU  51  -3.986   2.526   5.694
  335   HD21  LEU  51          HD21      LEU  51  -2.963   3.269   8.553
  336   HD22  LEU  51          HD22      LEU  51  -3.066   1.624   9.179
  337   HD23  LEU  51          HD23      LEU  51  -4.359   2.266   8.166
  338    H    ARG  52           HN       ARG  52  -5.978   0.510   4.943
  339    HA   ARG  52           HA       ARG  52  -5.543  -2.081   3.606
  340    HB2  ARG  52           HB2      ARG  52  -8.048  -0.394   3.685
  341    HB3  ARG  52           HB1      ARG  52  -7.844  -1.822   2.684
  342    HG2  ARG  52           HG2      ARG  52  -7.619  -3.207   4.656
  343    HG3  ARG  52           HG1      ARG  52  -7.733  -1.782   5.693
  344    HD2  ARG  52           HD2      ARG  52  -9.875  -2.716   3.787
  345    HD3  ARG  52           HD1      ARG  52  -9.865  -3.023   5.523
  346    HE   ARG  52           HE       ARG  52  -9.738  -0.408   5.562
  347   HH11  ARG  52          HH11      ARG  52 -11.648  -2.425   3.433
  348   HH12  ARG  52          HH12      ARG  52 -12.920  -1.261   3.267
  349   HH21  ARG  52          HH21      ARG  52 -11.410   1.129   5.339
  350   HH22  ARG  52          HH22      ARG  52 -12.783   0.770   4.343
  351    H    CYS  53           HN       CYS  53  -4.622  -1.937   1.681
  352    HA   CYS  53           HA       CYS  53  -4.048   0.582   0.486
  353    HB2  CYS  53           HB2      CYS  53  -2.808  -0.640  -1.133
  354    HB3  CYS  53           HB1      CYS  53  -2.598  -1.500   0.389
  355    H    ARG  54           HN       ARG  54  -4.342   0.384  -2.174
  356    HA   ARG  54           HA       ARG  54  -6.884   1.417  -2.539
  357    HB2  ARG  54           HB2      ARG  54  -4.971   1.880  -4.011
  358    HB3  ARG  54           HB1      ARG  54  -5.042   0.237  -4.623
  359    HG2  ARG  54           HG2      ARG  54  -6.031   1.801  -6.188
  360    HG3  ARG  54           HG1      ARG  54  -7.241   0.672  -5.575
  361    HD2  ARG  54           HD2      ARG  54  -8.056   2.355  -4.027
  362    HD3  ARG  54           HD1      ARG  54  -6.809   3.479  -4.562
  363    HE   ARG  54           HE       ARG  54  -7.997   3.106  -6.851
  364   HH11  ARG  54          HH11      ARG  54  -9.527   3.354  -3.711
  365   HH12  ARG  54          HH12      ARG  54 -10.983   4.054  -4.337
  366   HH21  ARG  54          HH21      ARG  54  -9.916   4.038  -7.677
  367   HH22  ARG  54          HH22      ARG  54 -11.207   4.449  -6.592
  368    H    SER  55           HN       SER  55  -5.694  -1.816  -3.449
  369    HA   SER  55           HA       SER  55  -8.150  -2.651  -4.593
  370    HB2  SER  55           HB2      SER  55  -5.918  -4.381  -3.512
  371    HB3  SER  55           HB1      SER  55  -7.146  -4.856  -4.682
  372    HG   SER  55           HG       SER  55  -6.032  -2.713  -5.675
  373    H    CYS  56           HN       CYS  56  -6.723  -3.047  -1.376
  374    HA   CYS  56           HA       CYS  56  -8.685  -4.918  -0.509
  375    HB2  CYS  56           HB2      CYS  56  -6.675  -3.292   1.048
  376    HB3  CYS  56           HB1      CYS  56  -7.694  -4.541   1.751
  377    H    SER  57           HN       SER  57  -8.512  -1.417  -0.441
  378    HA   SER  57           HA       SER  57 -10.976  -1.377   1.173
  379    HB2  SER  57           HB2      SER  57 -10.463   1.052   1.490
  380    HB3  SER  57           HB1      SER  57  -9.220  -0.020   2.134
  381    HG   SER  57           HG       SER  57  -7.846   0.839   0.807
  382    H    GLY  58           HN       GLY  58 -10.403  -1.757  -1.874
  383    HA2  GLY  58           HA2      GLY  58 -12.174   0.410  -2.804
  384    HA3  GLY  58           HA1      GLY  58 -10.898  -0.290  -3.785
  385    H    ASP  59           HN       ASP  59 -12.870  -0.378  -5.215
  386    HA   ASP  59           HA       ASP  59 -14.509  -2.755  -4.699
  387    HB2  ASP  59           HB2      ASP  59 -14.813  -0.552  -6.759
  388    HB3  ASP  59           HB1      ASP  59 -15.889  -1.936  -6.601
  389    H    VAL  60           HN       VAL  60 -13.266  -4.474  -5.298
  390    HA   VAL  60           HA       VAL  60 -12.581  -4.652  -8.117
  391    HB   VAL  60           HB       VAL  60 -10.545  -3.743  -7.076
  392   HG11  VAL  60          HG11      VAL  60 -10.561  -6.259  -5.416
  393   HG12  VAL  60          HG12      VAL  60 -10.826  -4.619  -4.826
  394   HG13  VAL  60          HG13      VAL  60  -9.254  -5.076  -5.483
  395   HG21  VAL  60          HG21      VAL  60 -10.309  -5.197  -9.004
  396   HG22  VAL  60          HG22      VAL  60 -10.272  -6.615  -7.957
  397   HG23  VAL  60          HG23      VAL  60  -8.963  -5.435  -7.890
  398    H    THR  61           HN       THR  61 -12.735  -6.683  -8.918
  399    HA   THR  61           HA       THR  61 -13.277  -8.844  -7.003
  400    HB   THR  61           HB       THR  61 -14.173 -10.025  -9.108
  401    HG1  THR  61           HG1      THR  61 -14.255  -7.322 -10.031
  402   HG21  THR  61          HG21      THR  61 -15.602  -7.594  -8.029
  403   HG22  THR  61          HG22      THR  61 -15.633  -9.216  -7.336
  404   HG23  THR  61          HG23      THR  61 -16.361  -8.917  -8.914
  405    HA   PRO  62           HA       PRO  62  -9.170 -10.074  -8.468
  406    HB2  PRO  62           HB2      PRO  62  -9.065 -11.750  -6.105
  407    HB3  PRO  62           HB1      PRO  62  -8.106 -10.319  -6.484
  408    HG2  PRO  62           HG2      PRO  62  -9.975 -10.395  -4.498
  409    HG3  PRO  62           HG1      PRO  62  -9.525  -8.915  -5.365
  410    HD2  PRO  62           HD2      PRO  62 -11.903 -10.692  -5.756
  411    HD3  PRO  62           HD1      PRO  62 -11.802  -8.919  -5.783
  412    H    ALA  63           HN       ALA  63  -8.497 -11.874  -9.531
  413    HA   ALA  63           HA       ALA  63 -10.281 -14.213  -9.452
  414    HB1  ALA  63           HB1      ALA  63 -10.158 -13.082 -11.636
  415    HB2  ALA  63           HB2      ALA  63  -9.530 -14.728 -11.700
  416    HB3  ALA  63           HB3      ALA  63  -8.417 -13.361 -11.666
  417    HA   PRO  64           HA       PRO  64  -6.801 -16.223  -7.543
  418    HB2  PRO  64           HB2      PRO  64  -7.851 -18.694  -7.353
  419    HB3  PRO  64           HB1      PRO  64  -8.406 -17.357  -6.338
  420    HG2  PRO  64           HG2      PRO  64  -9.641 -18.492  -8.817
  421    HG3  PRO  64           HG1      PRO  64 -10.423 -17.994  -7.306
  422    HD2  PRO  64           HD2      PRO  64 -10.363 -16.444  -9.552
  423    HD3  PRO  64           HD1      PRO  64 -10.452 -15.782  -7.908
  424    H    VAL  65           HN       VAL  65  -6.765 -15.891 -10.454
  425    HA   VAL  65           HA       VAL  65  -5.891 -18.497 -11.445
  426    HB   VAL  65           HB       VAL  65  -6.043 -15.882 -12.954
  427   HG11  VAL  65          HG11      VAL  65  -6.049 -17.321 -14.940
  428   HG12  VAL  65          HG12      VAL  65  -5.876 -18.738 -13.907
  429   HG13  VAL  65          HG13      VAL  65  -4.586 -17.539 -13.979
  430   HG21  VAL  65          HG21      VAL  65  -8.091 -18.090 -12.775
  431   HG22  VAL  65          HG22      VAL  65  -8.173 -16.699 -13.854
  432   HG23  VAL  65          HG23      VAL  65  -8.249 -16.465 -12.109
  433    H    GLU  66           HN       GLU  66  -3.971 -18.760 -10.319
  434    HA   GLU  66           HA       GLU  66  -1.845 -16.820 -10.935
  435    HB2  GLU  66           HB2      GLU  66  -2.125 -18.542  -8.461
  436    HB3  GLU  66           HB1      GLU  66  -0.828 -17.395  -8.783
  437    HG2  GLU  66           HG2      GLU  66  -2.394 -15.554  -8.724
  438    HG3  GLU  66           HG1      GLU  66  -3.738 -16.673  -8.508
  Start of MODEL   40
    1    H1   GLY   1           HT1      GLY   1  13.702 -24.040  -8.399
    2    H2   GLY   1           HT2      GLY   1  14.149 -25.455  -9.206
    3    H3   GLY   1           HT3      GLY   1  14.487 -23.947  -9.893
    4    HA2  GLY   1           HA1      GLY   1  15.680 -25.072  -7.427
    5    HA3  GLY   1           HA2      GLY   1  16.490 -24.852  -8.973
    6    H    ALA   2           HN       ALA   2  17.680 -23.759  -6.850
    7    HA   ALA   2           HA       ALA   2  18.476 -21.854  -5.908
    8    HB1  ALA   2           HB1      ALA   2  17.432 -20.584  -8.440
    9    HB2  ALA   2           HB2      ALA   2  19.014 -21.337  -8.236
   10    HB3  ALA   2           HB3      ALA   2  18.609 -19.876  -7.333
   11    H    MET   3           HN       MET   3  16.571 -22.316  -4.427
   12    HA   MET   3           HA       MET   3  14.187 -20.838  -4.562
   13    HB2  MET   3           HB2      MET   3  15.623 -21.958  -2.148
   14    HB3  MET   3           HB1      MET   3  13.973 -21.355  -2.142
   15    HG2  MET   3           HG2      MET   3  13.332 -23.086  -3.741
   16    HG3  MET   3           HG1      MET   3  14.987 -23.693  -3.743
   17    HE1  MET   3           HE1      MET   3  12.801 -22.372  -0.712
   18    HE2  MET   3           HE2      MET   3  12.118 -23.889  -0.130
   19    HE3  MET   3           HE3      MET   3  11.670 -23.273  -1.719
   20    H    GLU   4           HN       GLU   4  13.888 -18.750  -4.425
   21    HA   GLU   4           HA       GLU   4  14.009 -16.573  -3.827
   22    HB2  GLU   4           HB2      GLU   4  15.859 -17.469  -1.614
   23    HB3  GLU   4           HB1      GLU   4  15.063 -15.908  -1.733
   24    HG2  GLU   4           HG2      GLU   4  13.688 -18.566  -1.412
   25    HG3  GLU   4           HG1      GLU   4  13.946 -17.373  -0.141
   26    H    GLY   5           HN       GLY   5  16.519 -18.335  -4.982
   27    HA2  GLY   5           HA2      GLY   5  18.482 -16.184  -5.035
   28    HA3  GLY   5           HA1      GLY   5  18.688 -17.804  -5.690
   29    H    GLN   6           HN       GLN   6  15.854 -17.223  -6.887
   30    HA   GLN   6           HA       GLN   6  16.879 -16.162  -9.389
   31    HB2  GLN   6           HB2      GLN   6  14.137 -17.217  -8.676
   32    HB3  GLN   6           HB1      GLN   6  14.662 -16.765 -10.291
   33    HG2  GLN   6           HG2      GLN   6  16.384 -18.528 -10.187
   34    HG3  GLN   6           HG1      GLN   6  15.754 -19.010  -8.612
   35   HE21  GLN   6          HE21      GLN   6  12.986 -18.440  -9.433
   36   HE22  GLN   6          HE22      GLN   6  12.522 -19.757 -10.451
   37    H    GLN   7           HN       GLN   7  15.655 -14.889  -6.616
   38    HA   GLN   7           HA       GLN   7  13.914 -12.905  -7.785
   39    HB2  GLN   7           HB2      GLN   7  14.959 -13.195  -4.962
   40    HB3  GLN   7           HB1      GLN   7  13.758 -12.019  -5.478
   41    HG2  GLN   7           HG2      GLN   7  13.473 -15.013  -5.502
   42    HG3  GLN   7           HG1      GLN   7  12.673 -13.878  -4.415
   43   HE21  GLN   7          HE21      GLN   7  11.541 -15.836  -6.265
   44   HE22  GLN   7          HE22      GLN   7  10.510 -14.945  -7.330
   45    H    ASN   8           HN       ASN   8  15.780 -12.321  -9.246
   46    HA   ASN   8           HA       ASN   8  17.939 -10.777  -8.315
   47    HB2  ASN   8           HB2      ASN   8  17.807 -11.674 -10.609
   48    HB3  ASN   8           HB1      ASN   8  16.470 -10.585 -10.959
   49   HD21  ASN   8          HD21      ASN   8  19.888 -10.857 -10.449
   50   HD22  ASN   8          HD22      ASN   8  20.306  -9.279 -11.020
   51    H    LEU   9           HN       LEU   9  14.670  -9.910  -9.317
   52    HA   LEU   9           HA       LEU   9  15.031  -7.141  -8.564
   53    HB2  LEU   9           HB2      LEU   9  12.634  -8.712  -9.510
   54    HB3  LEU   9           HB1      LEU   9  12.526  -7.041  -9.003
   55    HG   LEU   9           HG       LEU   9  14.199  -6.490 -10.813
   56   HD11  LEU   9          HD11      LEU   9  14.425  -8.083 -12.648
   57   HD12  LEU   9          HD12      LEU   9  13.544  -9.289 -11.710
   58   HD13  LEU   9          HD13      LEU   9  15.116  -8.714 -11.154
   59   HD21  LEU   9          HD21      LEU   9  11.559  -7.678 -11.650
   60   HD22  LEU   9          HD22      LEU   9  12.520  -6.529 -12.582
   61   HD23  LEU   9          HD23      LEU   9  11.814  -6.043 -11.039
   62    H    ALA  10           HN       ALA  10  15.127  -6.685  -6.462
   63    HA   ALA  10           HA       ALA  10  13.908  -8.394  -4.494
   64    HB1  ALA  10           HB1      ALA  10  14.911  -6.882  -2.859
   65    HB2  ALA  10           HB2      ALA  10  15.361  -5.772  -4.154
   66    HB3  ALA  10           HB3      ALA  10  16.090  -7.376  -4.074
   67    HA   PRO  11           HA       PRO  11  10.073  -6.049  -4.501
   68    HB2  PRO  11           HB2      PRO  11   9.382  -7.716  -2.188
   69    HB3  PRO  11           HB1      PRO  11   8.597  -7.614  -3.765
   70    HG2  PRO  11           HG2      PRO  11  10.004  -9.781  -3.022
   71    HG3  PRO  11           HG1      PRO  11   9.961  -9.216  -4.701
   72    HD2  PRO  11           HD2      PRO  11  12.094  -8.825  -2.630
   73    HD3  PRO  11           HD1      PRO  11  12.254  -9.242  -4.352
   74    H    GLY  12           HN       GLY  12  11.473  -4.253  -3.697
   75    HA2  GLY  12           HA2      GLY  12  11.790  -3.875  -0.884
   76    HA3  GLY  12           HA1      GLY  12  12.044  -2.666  -2.132
   77    H    ALA  13           HN       ALA  13  10.528  -2.899   0.560
   78    HA   ALA  13           HA       ALA  13   7.820  -2.268  -0.123
   79    HB1  ALA  13           HB1      ALA  13   7.567  -1.743   2.253
   80    HB2  ALA  13           HB2      ALA  13   9.313  -1.854   2.468
   81    HB3  ALA  13           HB3      ALA  13   8.385  -3.288   2.028
   82    H    ARG  14           HN       ARG  14   7.932  -0.563  -1.586
   83    HA   ARG  14           HA       ARG  14   8.734   2.023  -0.435
   84    HB2  ARG  14           HB2      ARG  14   9.294   1.045  -3.238
   85    HB3  ARG  14           HB1      ARG  14   9.564   2.690  -2.680
   86    HG2  ARG  14           HG2      ARG  14  11.219   1.887  -1.084
   87    HG3  ARG  14           HG1      ARG  14  10.934   0.227  -1.616
   88    HD2  ARG  14           HD2      ARG  14  11.712   0.754  -3.833
   89    HD3  ARG  14           HD1      ARG  14  11.867   2.458  -3.412
   90    HE   ARG  14           HE       ARG  14  13.470   0.461  -1.977
   91   HH11  ARG  14          HH11      ARG  14  13.246   3.179  -4.158
   92   HH12  ARG  14          HH12      ARG  14  14.946   3.514  -4.133
   93   HH21  ARG  14          HH21      ARG  14  15.726   0.907  -1.925
   94   HH22  ARG  14          HH22      ARG  14  16.358   2.225  -2.856
   95    H    CYS  15           HN       CYS  15   7.453   3.734  -0.897
   96    HA   CYS  15           HA       CYS  15   4.824   3.344  -1.905
   97    HB2  CYS  15           HB2      CYS  15   5.207   5.077  -0.281
   98    HB3  CYS  15           HB1      CYS  15   6.456   5.815  -1.273
   99    H    GLY  16           HN       GLY  16   4.305   3.095  -3.984
  100    HA2  GLY  16           HA2      GLY  16   6.151   3.235  -6.075
  101    HA3  GLY  16           HA1      GLY  16   4.410   3.124  -6.270
  102    H    VAL  17           HN       VAL  17   4.047   5.712  -4.816
  103    HA   VAL  17           HA       VAL  17   4.221   7.422  -7.105
  104    HB   VAL  17           HB       VAL  17   3.490   8.105  -4.248
  105   HG11  VAL  17          HG11      VAL  17   4.123  10.084  -5.516
  106   HG12  VAL  17          HG12      VAL  17   2.387  10.071  -5.206
  107   HG13  VAL  17          HG13      VAL  17   3.001   9.636  -6.800
  108   HG21  VAL  17          HG21      VAL  17   1.166   7.953  -5.023
  109   HG22  VAL  17          HG22      VAL  17   2.010   6.413  -5.174
  110   HG23  VAL  17          HG23      VAL  17   1.734   7.410  -6.600
  111    H    CYS  18           HN       CYS  18   6.133   6.919  -4.232
  112    HA   CYS  18           HA       CYS  18   7.577   9.428  -4.719
  113    HB2  CYS  18           HB2      CYS  18   7.344   7.729  -2.238
  114    HB3  CYS  18           HB1      CYS  18   8.363   9.161  -2.367
  115    H    GLY  19           HN       GLY  19   8.059   5.967  -4.302
  116    HA2  GLY  19           HA2      GLY  19   9.884   4.749  -5.153
  117    HA3  GLY  19           HA1      GLY  19  10.782   6.253  -5.324
  118    H    ASP  20           HN       ASP  20   9.542   6.606  -2.417
  119    HA   ASP  20           HA       ASP  20  11.865   5.416  -1.079
  120    HB2  ASP  20           HB2      ASP  20  10.081   7.730  -0.307
  121    HB3  ASP  20           HB1      ASP  20  11.274   7.031   0.780
  122    H    GLY  21           HN       GLY  21  11.625   4.249   0.817
  123    HA2  GLY  21           HA2      GLY  21   8.886   3.299   1.370
  124    HA3  GLY  21           HA1      GLY  21  10.356   2.384   1.692
  125    H    THR  22           HN       THR  22  10.870   5.569   2.427
  126    HA   THR  22           HA       THR  22  11.057   5.134   5.210
  127    HB   THR  22           HB       THR  22  10.899   7.836   3.875
  128    HG1  THR  22           HG1      THR  22  13.022   5.939   3.924
  129   HG21  THR  22          HG21      THR  22  12.448   6.830   6.268
  130   HG22  THR  22          HG22      THR  22  10.985   7.815   6.327
  131   HG23  THR  22          HG23      THR  22  12.467   8.481   5.641
  132    H    ASP  23           HN       ASP  23   9.662   5.508   6.820
  133    HA   ASP  23           HA       ASP  23   7.625   5.504   7.805
  134    HB2  ASP  23           HB2      ASP  23   6.551   7.673   7.949
  135    HB3  ASP  23           HB1      ASP  23   8.293   7.845   8.037
  136    H    VAL  24           HN       VAL  24   7.483   4.026   5.548
  137    HA   VAL  24           HA       VAL  24   5.124   4.829   4.059
  138    HB   VAL  24           HB       VAL  24   7.234   3.697   3.073
  139   HG11  VAL  24          HG11      VAL  24   7.387   1.822   4.584
  140   HG12  VAL  24          HG12      VAL  24   7.140   1.262   2.930
  141   HG13  VAL  24          HG13      VAL  24   5.797   1.256   4.073
  142   HG21  VAL  24          HG21      VAL  24   4.506   2.687   2.342
  143   HG22  VAL  24          HG22      VAL  24   5.939   2.662   1.312
  144   HG23  VAL  24          HG23      VAL  24   5.233   4.201   1.805
  145    H    LEU  25           HN       LEU  25   3.152   3.798   4.120
  146    HA   LEU  25           HA       LEU  25   2.656   2.183   6.482
  147    HB2  LEU  25           HB2      LEU  25   0.832   3.423   4.430
  148    HB3  LEU  25           HB1      LEU  25   0.249   2.323   5.665
  149    HG   LEU  25           HG       LEU  25   1.560   5.002   6.142
  150   HD11  LEU  25          HD11      LEU  25  -0.737   5.109   5.272
  151   HD12  LEU  25          HD12      LEU  25  -0.627   5.677   6.940
  152   HD13  LEU  25          HD13      LEU  25  -1.272   4.072   6.595
  153   HD21  LEU  25          HD21      LEU  25   2.158   3.472   7.917
  154   HD22  LEU  25          HD22      LEU  25   0.478   2.961   8.084
  155   HD23  LEU  25          HD23      LEU  25   0.944   4.609   8.504
  156    H    ARG  26           HN       ARG  26   1.679   0.163   6.427
  157    HA   ARG  26           HA       ARG  26   2.135  -1.326   3.930
  158    HB2  ARG  26           HB2      ARG  26   2.620  -2.156   6.798
  159    HB3  ARG  26           HB1      ARG  26   2.686  -3.264   5.436
  160    HG2  ARG  26           HG2      ARG  26   4.395  -0.803   5.566
  161    HG3  ARG  26           HG1      ARG  26   4.888  -2.334   6.291
  162    HD2  ARG  26           HD2      ARG  26   4.103  -2.007   3.398
  163    HD3  ARG  26           HD1      ARG  26   5.767  -1.948   3.983
  164    HE   ARG  26           HE       ARG  26   4.743  -4.303   4.952
  165   HH11  ARG  26          HH11      ARG  26   5.144  -2.907   1.762
  166   HH12  ARG  26          HH12      ARG  26   5.369  -4.437   0.983
  167   HH21  ARG  26          HH21      ARG  26   5.036  -6.309   3.934
  168   HH22  ARG  26          HH22      ARG  26   5.307  -6.377   2.224
  169    H    CYS  27           HN       CYS  27   0.545  -2.699   3.275
  170    HA   CYS  27           HA       CYS  27  -2.055  -2.411   4.399
  171    HB2  CYS  27           HB2      CYS  27  -1.441  -2.946   1.953
  172    HB3  CYS  27           HB1      CYS  27  -1.235  -4.618   2.487
  173    H    THR  28           HN       THR  28  -3.160  -3.745   5.794
  174    HA   THR  28           HA       THR  28  -1.516  -5.715   7.173
  175    HB   THR  28           HB       THR  28  -3.394  -5.762   8.824
  176    HG1  THR  28           HG1      THR  28  -5.178  -4.664   8.442
  177   HG21  THR  28          HG21      THR  28  -1.479  -4.286   9.161
  178   HG22  THR  28          HG22      THR  28  -2.960  -3.512   9.721
  179   HG23  THR  28          HG23      THR  28  -2.249  -3.041   8.178
  180    H    HIS  29           HN       HIS  29  -3.902  -5.635   4.783
  181    HA   HIS  29           HA       HIS  29  -4.791  -8.363   5.366
  182    HB2  HIS  29           HB2      HIS  29  -5.836  -6.275   3.456
  183    HB3  HIS  29           HB1      HIS  29  -6.414  -7.937   3.466
  184    HD1  HIS  29           HD1      HIS  29  -8.144  -8.548   5.194
  185    HD2  HIS  29           HD2      HIS  29  -6.451  -4.810   5.862
  186    HE1  HIS  29           HE1      HIS  29  -9.515  -7.497   7.022
  187    HE2  HIS  29           HE2      HIS  29  -8.577  -5.176   7.281
  188    H    CYS  30           HN       CYS  30  -2.699  -6.608   3.292
  189    HA   CYS  30           HA       CYS  30  -1.818  -9.094   2.116
  190    HB2  CYS  30           HB2      CYS  30  -2.150  -8.587  -0.135
  191    HB3  CYS  30           HB1      CYS  30  -3.637  -7.999   0.599
  192    H    ALA  31           HN       ALA  31  -0.051  -7.985   0.239
  193    HA   ALA  31           HA       ALA  31   1.759  -6.564   2.049
  194    HB1  ALA  31           HB1      ALA  31   3.583  -7.434   0.731
  195    HB2  ALA  31           HB2      ALA  31   2.456  -8.126  -0.433
  196    HB3  ALA  31           HB3      ALA  31   2.524  -8.758   1.212
  197    H    ALA  32           HN       ALA  32   1.900  -4.446   1.719
  198    HA   ALA  32           HA       ALA  32   2.415  -3.363  -0.884
  199    HB1  ALA  32           HB1      ALA  32  -0.030  -3.598  -1.011
  200    HB2  ALA  32           HB2      ALA  32   0.475  -1.910  -1.049
  201    HB3  ALA  32           HB3      ALA  32  -0.191  -2.597   0.431
  202    H    ALA  33           HN       ALA  33   3.442  -1.442  -0.751
  203    HA   ALA  33           HA       ALA  33   3.593  -0.124   1.890
  204    HB1  ALA  33           HB1      ALA  33   5.886   0.481   1.360
  205    HB2  ALA  33           HB2      ALA  33   5.762  -0.348  -0.191
  206    HB3  ALA  33           HB3      ALA  33   5.678  -1.269   1.309
  207    H    PHE  34           HN       PHE  34   2.533   1.731   1.804
  208    HA   PHE  34           HA       PHE  34   3.066   3.589  -0.370
  209    HB2  PHE  34           HB2      PHE  34   0.690   3.997  -0.830
  210    HB3  PHE  34           HB1      PHE  34   1.111   2.326  -1.178
  211    HD1  PHE  34           HD2      PHE  34   0.397   0.527   0.378
  212    HD2  PHE  34           HD1      PHE  34  -0.922   4.551   0.816
  213    HE1  PHE  34           HE2      PHE  34  -1.436  -0.235   1.829
  214    HE2  PHE  34           HE1      PHE  34  -2.758   3.794   2.269
  215    HZ   PHE  34           HZ       PHE  34  -3.016   1.399   2.775
  216    H    HIS  35           HN       HIS  35   2.745   5.753   0.240
  217    HA   HIS  35           HA       HIS  35   2.397   6.245   3.067
  218    HB2  HIS  35           HB2      HIS  35   2.629   8.216   0.777
  219    HB3  HIS  35           HB1      HIS  35   2.637   8.637   2.483
  220    HD2  HIS  35           HD2      HIS  35   4.853   6.545   3.557
  221    HE1  HIS  35           HE1      HIS  35   7.285   8.242   0.538
  222    HE2  HIS  35           HE2      HIS  35   7.278   7.078   2.806
  223    H    TRP  36           HN       TRP  36   0.569   7.102   4.042
  224    HA   TRP  36           HA       TRP  36  -1.896   6.454   2.972
  225    HB2  TRP  36           HB2      TRP  36  -1.458   6.933   5.385
  226    HB3  TRP  36           HB1      TRP  36  -1.404   8.649   4.995
  227    HD1  TRP  36           HD1      TRP  36  -3.642   9.893   5.165
  228    HE1  TRP  36           HE1      TRP  36  -6.121   9.212   5.296
  229    HE3  TRP  36           HE3      TRP  36  -3.131   4.858   4.477
  230    HZ2  TRP  36           HZ2      TRP  36  -7.652   6.849   5.126
  231    HZ3  TRP  36           HZ3      TRP  36  -5.153   3.458   4.471
  232    HH2  TRP  36           HH2      TRP  36  -7.367   4.436   4.790
  233    H    ARG  37           HN       ARG  37  -0.319   9.621   3.063
  234    HA   ARG  37           HA       ARG  37  -2.441  11.042   1.847
  235    HB2  ARG  37           HB2      ARG  37   0.491  11.709   2.101
  236    HB3  ARG  37           HB1      ARG  37  -0.748  12.842   1.586
  237    HG2  ARG  37           HG2      ARG  37  -1.811  12.764   3.719
  238    HG3  ARG  37           HG1      ARG  37  -0.778  11.431   4.239
  239    HD2  ARG  37           HD2      ARG  37   0.231  14.177   3.513
  240    HD3  ARG  37           HD1      ARG  37  -0.129  13.657   5.159
  241    HE   ARG  37           HE       ARG  37   1.668  11.862   3.879
  242   HH11  ARG  37          HH11      ARG  37   1.525  15.024   5.363
  243   HH12  ARG  37          HH12      ARG  37   3.166  14.981   5.920
  244   HH21  ARG  37          HH21      ARG  37   3.840  11.800   4.602
  245   HH22  ARG  37          HH22      ARG  37   4.492  13.152   5.470
  246    H    CYS  38           HN       CYS  38  -0.139   8.944   0.505
  247    HA   CYS  38           HA       CYS  38  -0.134  10.227  -2.100
  248    HB2  CYS  38           HB2      CYS  38   1.177   7.667  -1.155
  249    HB3  CYS  38           HB1      CYS  38   1.405   8.401  -2.745
  250    H    HIS  39           HN       HIS  39  -1.865   7.803  -0.412
  251    HA   HIS  39           HA       HIS  39  -3.126   6.895  -2.915
  252    HB2  HIS  39           HB2      HIS  39  -2.636   5.607  -0.294
  253    HB3  HIS  39           HB1      HIS  39  -4.169   5.232  -1.069
  254    HD1  HIS  39           HD1      HIS  39  -3.899   3.010  -2.077
  255    HD2  HIS  39           HD2      HIS  39  -0.572   5.405  -2.732
  256    HE1  HIS  39           HE1      HIS  39  -2.331   1.615  -3.458
  257    HE2  HIS  39           HE2      HIS  39  -0.468   3.196  -4.075
  258    H    PHE  40           HN       PHE  40  -3.812   8.102   0.326
  259    HA   PHE  40           HA       PHE  40  -6.561   8.715  -0.531
  260    HB2  PHE  40           HB2      PHE  40  -5.580   7.937   2.225
  261    HB3  PHE  40           HB1      PHE  40  -7.221   8.426   1.834
  262    HD1  PHE  40           HD1      PHE  40  -4.726   5.767   1.529
  263    HD2  PHE  40           HD2      PHE  40  -8.732   6.940   0.701
  264    HE1  PHE  40           HE1      PHE  40  -5.305   3.425   1.043
  265    HE2  PHE  40           HE2      PHE  40  -9.321   4.601   0.211
  266    HZ   PHE  40           HZ       PHE  40  -7.607   2.841   0.383
  267    HA   PRO  41           HA       PRO  41  -4.927  12.849   0.215
  268    HB2  PRO  41           HB2      PRO  41  -7.624  13.683  -0.601
  269    HB3  PRO  41           HB1      PRO  41  -6.063  14.076  -1.320
  270    HG2  PRO  41           HG2      PRO  41  -7.801  12.421  -2.529
  271    HG3  PRO  41           HG1      PRO  41  -6.047  12.192  -2.648
  272    HD2  PRO  41           HD2      PRO  41  -8.034  10.753  -0.931
  273    HD3  PRO  41           HD1      PRO  41  -6.646  10.110  -1.835
  274    H    ALA  42           HN       ALA  42  -6.231  14.934   1.166
  275    HA   ALA  42           HA       ALA  42  -6.412  14.430   3.891
  276    HB1  ALA  42           HB1      ALA  42  -7.586  16.768   2.402
  277    HB2  ALA  42           HB2      ALA  42  -5.911  16.625   2.936
  278    HB3  ALA  42           HB3      ALA  42  -7.212  16.708   4.125
  279    H    GLY  43           HN       GLY  43  -8.916  14.257   1.475
  280    HA2  GLY  43           HA2      GLY  43 -11.186  14.548   3.090
  281    HA3  GLY  43           HA1      GLY  43 -11.121  13.639   1.591
  282    H    THR  44           HN       THR  44  -8.984  11.870   2.802
  283    HA   THR  44           HA       THR  44 -10.843  10.178   4.332
  284    HB   THR  44           HB       THR  44  -8.317   9.233   3.006
  285    HG1  THR  44           HG1      THR  44 -10.872   9.722   1.902
  286   HG21  THR  44          HG21      THR  44  -9.392   7.764   4.675
  287   HG22  THR  44          HG22      THR  44  -9.427   7.068   3.055
  288   HG23  THR  44          HG23      THR  44 -10.880   7.809   3.729
  289    H    SER  45           HN       SER  45 -10.423   9.828   6.410
  290    HA   SER  45           HA       SER  45  -7.913  10.750   7.550
  291    HB2  SER  45           HB2      SER  45 -10.088  11.341   8.618
  292    HB3  SER  45           HB1      SER  45 -10.382   9.628   8.908
  293    HG   SER  45           HG       SER  45  -9.314  11.117  10.601
  294    H    ARG  46           HN       ARG  46  -6.401   9.412   8.486
  295    HA   ARG  46           HA       ARG  46  -6.376   6.719   7.527
  296    HB2  ARG  46           HB2      ARG  46  -4.168   6.587   8.647
  297    HB3  ARG  46           HB1      ARG  46  -4.309   7.952   7.555
  298    HG2  ARG  46           HG2      ARG  46  -4.673   9.440   9.450
  299    HG3  ARG  46           HG1      ARG  46  -4.554   8.070  10.555
  300    HD2  ARG  46           HD2      ARG  46  -2.256   7.685   9.850
  301    HD3  ARG  46           HD1      ARG  46  -2.374   9.012   8.693
  302    HE   ARG  46           HE       ARG  46  -3.016  10.035  11.198
  303   HH11  ARG  46          HH11      ARG  46  -0.235   8.644   9.590
  304   HH12  ARG  46          HH12      ARG  46   0.915   9.516  10.548
  305   HH21  ARG  46          HH21      ARG  46  -1.503  11.202  12.444
  306   HH22  ARG  46          HH22      ARG  46   0.193  10.968  12.175
  307    HA   PRO  47           HA       PRO  47  -8.299   4.935  11.137
  308    HB2  PRO  47           HB2      PRO  47  -8.019   2.348  10.398
  309    HB3  PRO  47           HB1      PRO  47  -9.230   3.413   9.675
  310    HG2  PRO  47           HG2      PRO  47  -6.554   2.594   8.619
  311    HG3  PRO  47           HG1      PRO  47  -8.099   2.735   7.763
  312    HD2  PRO  47           HD2      PRO  47  -6.162   4.640   7.653
  313    HD3  PRO  47           HD1      PRO  47  -7.893   5.009   7.507
  314    H    GLY  48           HN       GLY  48  -7.650   3.797  12.982
  315    HA2  GLY  48           HA2      GLY  48  -4.794   3.766  13.447
  316    HA3  GLY  48           HA1      GLY  48  -6.054   3.424  14.627
  317    H    THR  49           HN       THR  49  -7.297   1.492  12.729
  318    HA   THR  49           HA       THR  49  -5.276  -0.608  12.588
  319    HB   THR  49           HB       THR  49  -6.463  -0.893  14.758
  320    HG1  THR  49           HG1      THR  49  -5.689  -2.776  13.873
  321   HG21  THR  49          HG21      THR  49  -8.633  -0.008  14.179
  322   HG22  THR  49          HG22      THR  49  -8.810  -1.682  14.704
  323   HG23  THR  49          HG23      THR  49  -8.872  -1.284  12.988
  324    H    GLY  50           HN       GLY  50  -5.979  -2.425  11.220
  325    HA2  GLY  50           HA2      GLY  50  -6.966  -3.294   9.332
  326    HA3  GLY  50           HA1      GLY  50  -8.302  -2.181   9.587
  327    H    LEU  51           HN       LEU  51  -4.840  -1.875   8.787
  328    HA   LEU  51           HA       LEU  51  -5.358   0.365   7.068
  329    HB2  LEU  51           HB2      LEU  51  -3.169  -0.518   8.435
  330    HB3  LEU  51           HB1      LEU  51  -2.789  -1.072   6.818
  331    HG   LEU  51           HG       LEU  51  -1.758   1.083   7.235
  332   HD11  LEU  51          HD11      LEU  51  -2.627   2.342   5.335
  333   HD12  LEU  51          HD12      LEU  51  -4.066   1.323   5.317
  334   HD13  LEU  51          HD13      LEU  51  -2.486   0.624   4.962
  335   HD21  LEU  51          HD21      LEU  51  -3.303   1.904   8.930
  336   HD22  LEU  51          HD22      LEU  51  -4.554   2.107   7.704
  337   HD23  LEU  51          HD23      LEU  51  -3.089   3.084   7.639
  338    H    ARG  52           HN       ARG  52  -5.972   0.256   5.011
  339    HA   ARG  52           HA       ARG  52  -5.575  -2.286   3.584
  340    HB2  ARG  52           HB2      ARG  52  -8.011  -0.500   3.598
  341    HB3  ARG  52           HB1      ARG  52  -7.771  -1.814   2.456
  342    HG2  ARG  52           HG2      ARG  52  -7.737  -3.420   4.274
  343    HG3  ARG  52           HG1      ARG  52  -7.910  -2.115   5.450
  344    HD2  ARG  52           HD2      ARG  52  -9.906  -2.754   3.281
  345    HD3  ARG  52           HD1      ARG  52 -10.037  -3.295   4.954
  346    HE   ARG  52           HE       ARG  52  -9.779  -0.606   5.172
  347   HH11  ARG  52          HH11      ARG  52 -11.945  -2.670   3.343
  348   HH12  ARG  52          HH12      ARG  52 -13.267  -1.548   3.419
  349   HH21  ARG  52          HH21      ARG  52 -11.521   0.854   5.279
  350   HH22  ARG  52          HH22      ARG  52 -13.030   0.449   4.518
  351    H    CYS  53           HN       CYS  53  -4.670  -2.161   1.669
  352    HA   CYS  53           HA       CYS  53  -3.845   0.328   0.539
  353    HB2  CYS  53           HB2      CYS  53  -2.797  -0.999  -1.160
  354    HB3  CYS  53           HB1      CYS  53  -2.588  -1.857   0.365
  355    H    ARG  54           HN       ARG  54  -4.225   0.102  -2.170
  356    HA   ARG  54           HA       ARG  54  -6.782   1.229  -2.439
  357    HB2  ARG  54           HB2      ARG  54  -5.019   1.831  -3.963
  358    HB3  ARG  54           HB1      ARG  54  -4.870   0.172  -4.521
  359    HG2  ARG  54           HG2      ARG  54  -6.919   0.267  -5.676
  360    HG3  ARG  54           HG1      ARG  54  -7.393   1.761  -4.864
  361    HD2  ARG  54           HD2      ARG  54  -5.000   1.544  -6.675
  362    HD3  ARG  54           HD1      ARG  54  -6.601   2.016  -7.242
  363    HE   ARG  54           HE       ARG  54  -6.427   3.889  -5.595
  364   HH11  ARG  54          HH11      ARG  54  -3.527   2.403  -6.888
  365   HH12  ARG  54          HH12      ARG  54  -2.569   3.837  -6.720
  366   HH21  ARG  54          HH21      ARG  54  -5.165   5.768  -5.363
  367   HH22  ARG  54          HH22      ARG  54  -3.498   5.753  -5.853
  368    H    SER  55           HN       SER  55  -5.584  -1.989  -3.358
  369    HA   SER  55           HA       SER  55  -8.021  -2.822  -4.533
  370    HB2  SER  55           HB2      SER  55  -5.761  -4.507  -3.443
  371    HB3  SER  55           HB1      SER  55  -7.017  -5.051  -4.555
  372    HG   SER  55           HG       SER  55  -5.856  -4.284  -6.114
  373    H    CYS  56           HN       CYS  56  -6.607  -3.407  -1.312
  374    HA   CYS  56           HA       CYS  56  -8.759  -5.081  -0.483
  375    HB2  CYS  56           HB2      CYS  56  -6.710  -3.627   1.198
  376    HB3  CYS  56           HB1      CYS  56  -7.799  -4.878   1.781
  377    H    SER  57           HN       SER  57  -8.333  -1.654  -0.599
  378    HA   SER  57           HA       SER  57 -10.601  -1.249   1.217
  379    HB2  SER  57           HB2      SER  57  -8.528   0.135   1.509
  380    HB3  SER  57           HB1      SER  57  -8.836   0.848  -0.072
  381    HG   SER  57           HG       SER  57 -11.011   1.334   0.922
  382    H    GLY  58           HN       GLY  58 -10.434  -2.173  -1.764
  383    HA2  GLY  58           HA2      GLY  58 -12.052  -0.191  -3.101
  384    HA3  GLY  58           HA1      GLY  58 -11.615  -1.778  -3.719
  385    H    ASP  59           HN       ASP  59 -12.549  -3.358  -1.634
  386    HA   ASP  59           HA       ASP  59 -15.432  -3.121  -2.039
  387    HB2  ASP  59           HB2      ASP  59 -15.530  -5.439  -1.214
  388    HB3  ASP  59           HB1      ASP  59 -14.404  -5.288  -2.558
  389    H    VAL  60           HN       VAL  60 -16.892  -3.311  -0.288
  390    HA   VAL  60           HA       VAL  60 -15.838  -2.171   2.191
  391    HB   VAL  60           HB       VAL  60 -18.702  -2.464   1.254
  392   HG11  VAL  60          HG11      VAL  60 -19.259  -0.974   3.109
  393   HG12  VAL  60          HG12      VAL  60 -17.573  -0.985   3.625
  394   HG13  VAL  60          HG13      VAL  60 -18.522  -2.469   3.686
  395   HG21  VAL  60          HG21      VAL  60 -17.441  -0.875  -0.104
  396   HG22  VAL  60          HG22      VAL  60 -16.919  -0.031   1.354
  397   HG23  VAL  60          HG23      VAL  60 -18.623  -0.043   0.905
  398    H    THR  61           HN       THR  61 -15.348  -3.566   3.754
  399    HA   THR  61           HA       THR  61 -16.259  -6.244   3.840
  400    HB   THR  61           HB       THR  61 -15.340  -5.927   6.325
  401    HG1  THR  61           HG1      THR  61 -13.561  -4.271   5.992
  402   HG21  THR  61          HG21      THR  61 -13.640  -5.971   3.830
  403   HG22  THR  61          HG22      THR  61 -14.319  -7.366   4.665
  404   HG23  THR  61          HG23      THR  61 -13.074  -6.391   5.444
  405    HA   PRO  62           HA       PRO  62 -20.145  -5.152   5.785
  406    HB2  PRO  62           HB2      PRO  62 -21.370  -7.511   5.416
  407    HB3  PRO  62           HB1      PRO  62 -21.106  -6.381   4.084
  408    HG2  PRO  62           HG2      PRO  62 -19.600  -8.861   4.794
  409    HG3  PRO  62           HG1      PRO  62 -20.051  -8.240   3.197
  410    HD2  PRO  62           HD2      PRO  62 -17.557  -7.956   4.359
  411    HD3  PRO  62           HD1      PRO  62 -18.198  -6.916   3.073
  412    H    ALA  63           HN       ALA  63 -21.052  -5.487   7.773
  413    HA   ALA  63           HA       ALA  63 -19.674  -7.413   9.520
  414    HB1  ALA  63           HB1      ALA  63 -19.372  -5.086  10.188
  415    HB2  ALA  63           HB2      ALA  63 -20.322  -5.966  11.384
  416    HB3  ALA  63           HB3      ALA  63 -21.120  -4.869  10.256
  417    HA   PRO  64           HA       PRO  64 -23.526  -9.575   9.827
  418    HB2  PRO  64           HB2      PRO  64 -22.985 -11.134  11.953
  419    HB3  PRO  64           HB1      PRO  64 -22.192 -11.373  10.391
  420    HG2  PRO  64           HG2      PRO  64 -21.174  -9.968  12.832
  421    HG3  PRO  64           HG1      PRO  64 -20.334 -11.117  11.775
  422    HD2  PRO  64           HD2      PRO  64 -20.010  -8.425  11.589
  423    HD3  PRO  64           HD1      PRO  64 -19.864  -9.514  10.195
  424    H    VAL  65           HN       VAL  65 -23.337  -6.929  11.150
  425    HA   VAL  65           HA       VAL  65 -24.831  -7.311  13.621
  426    HB   VAL  65           HB       VAL  65 -24.062  -4.723  12.255
  427   HG11  VAL  65          HG11      VAL  65 -25.935  -4.481  13.793
  428   HG12  VAL  65          HG12      VAL  65 -24.491  -3.711  14.448
  429   HG13  VAL  65          HG13      VAL  65 -25.010  -5.278  15.065
  430   HG21  VAL  65          HG21      VAL  65 -22.077  -6.011  12.861
  431   HG22  VAL  65          HG22      VAL  65 -22.677  -6.172  14.510
  432   HG23  VAL  65          HG23      VAL  65 -22.243  -4.584  13.882
  433    H    GLU  66           HN       GLU  66 -26.836  -8.024  13.124
  434    HA   GLU  66           HA       GLU  66 -28.386  -6.419  11.201
  435    HB2  GLU  66           HB2      GLU  66 -28.794  -9.346  11.837
  436    HB3  GLU  66           HB1      GLU  66 -29.625  -8.408  10.605
  437    HG2  GLU  66           HG2      GLU  66 -27.531  -8.136   9.387
  438    HG3  GLU  66           HG1      GLU  66 -26.687  -9.061  10.628
  Start of MODEL   41
    1    H1   GLY   1           HT1      GLY   1  11.714   0.123  -8.469
    2    H2   GLY   1           HT2      GLY   1  10.909   1.191  -7.441
    3    H3   GLY   1           HT3      GLY   1  10.519  -0.456  -7.424
    4    HA2  GLY   1           HA1      GLY   1  11.868   0.097  -5.511
    5    HA3  GLY   1           HA2      GLY   1  12.715  -1.002  -6.590
    6    H    ALA   2           HN       ALA   2  14.309   0.283  -4.928
    7    HA   ALA   2           HA       ALA   2  15.543   2.334  -6.639
    8    HB1  ALA   2           HB1      ALA   2  16.189   3.623  -4.697
    9    HB2  ALA   2           HB2      ALA   2  15.433   2.441  -3.627
   10    HB3  ALA   2           HB3      ALA   2  14.439   3.407  -4.719
   11    H    MET   3           HN       MET   3  16.439   0.724  -3.585
   12    HA   MET   3           HA       MET   3  18.961  -0.050  -4.878
   13    HB2  MET   3           HB2      MET   3  19.900  -0.232  -2.614
   14    HB3  MET   3           HB1      MET   3  19.263   1.375  -2.924
   15    HG2  MET   3           HG2      MET   3  17.217   0.751  -1.686
   16    HG3  MET   3           HG1      MET   3  17.962  -0.797  -1.302
   17    HE1  MET   3           HE1      MET   3  20.149  -1.055   0.182
   18    HE2  MET   3           HE2      MET   3  20.997   0.299   0.928
   19    HE3  MET   3           HE3      MET   3  21.025   0.098  -0.823
   20    H    GLU   4           HN       GLU   4  16.207  -1.259  -3.093
   21    HA   GLU   4           HA       GLU   4  17.292  -3.952  -3.007
   22    HB2  GLU   4           HB2      GLU   4  14.618  -2.871  -2.106
   23    HB3  GLU   4           HB1      GLU   4  15.179  -4.516  -1.854
   24    HG2  GLU   4           HG2      GLU   4  17.017  -3.678  -0.481
   25    HG3  GLU   4           HG1      GLU   4  16.447  -2.028  -0.733
   26    H    GLY   5           HN       GLY   5  17.443  -4.293  -5.279
   27    HA2  GLY   5           HA2      GLY   5  15.337  -5.746  -6.374
   28    HA3  GLY   5           HA1      GLY   5  15.228  -4.115  -7.025
   29    H    GLN   6           HN       GLN   6  15.556  -5.734  -8.933
   30    HA   GLN   6           HA       GLN   6  18.435  -5.764  -9.558
   31    HB2  GLN   6           HB2      GLN   6  17.995  -7.771 -10.952
   32    HB3  GLN   6           HB1      GLN   6  17.676  -8.048  -9.244
   33    HG2  GLN   6           HG2      GLN   6  15.303  -7.823  -9.609
   34    HG3  GLN   6           HG1      GLN   6  15.573  -7.410 -11.299
   35   HE21  GLN   6          HE21      GLN   6  17.409  -9.873  -9.646
   36   HE22  GLN   6          HE22      GLN   6  16.727 -11.218 -10.491
   37    H    GLN   7           HN       GLN   7  15.991  -3.964 -10.079
   38    HA   GLN   7           HA       GLN   7  15.108  -2.671 -11.712
   39    HB2  GLN   7           HB2      GLN   7  17.698  -3.406 -13.075
   40    HB3  GLN   7           HB1      GLN   7  16.561  -2.236 -13.727
   41    HG2  GLN   7           HG2      GLN   7  16.815  -0.894 -11.672
   42    HG3  GLN   7           HG1      GLN   7  18.026  -2.043 -11.106
   43   HE21  GLN   7          HE21      GLN   7  19.132  -2.451 -13.770
   44   HE22  GLN   7          HE22      GLN   7  20.047  -1.031 -14.135
   45    H    ASN   8           HN       ASN   8  13.978  -5.106 -11.612
   46    HA   ASN   8           HA       ASN   8  13.115  -5.456 -14.356
   47    HB2  ASN   8           HB2      ASN   8  14.980  -7.065 -14.173
   48    HB3  ASN   8           HB1      ASN   8  14.202  -7.800 -12.776
   49   HD21  ASN   8          HD21      ASN   8  14.165  -7.444 -16.218
   50   HD22  ASN   8          HD22      ASN   8  13.006  -8.684 -16.542
   51    H    LEU   9           HN       LEU   9  12.900  -6.972 -11.145
   52    HA   LEU   9           HA       LEU   9   9.993  -7.136 -11.497
   53    HB2  LEU   9           HB2      LEU   9  11.095  -9.259 -11.044
   54    HB3  LEU   9           HB1      LEU   9  11.839  -8.595  -9.604
   55    HG   LEU   9           HG       LEU   9   9.582  -8.327  -8.599
   56   HD11  LEU   9          HD11      LEU   9   7.692  -9.496  -9.634
   57   HD12  LEU   9          HD12      LEU   9   8.681  -9.815 -11.060
   58   HD13  LEU   9          HD13      LEU   9   8.267  -8.155 -10.626
   59   HD21  LEU   9          HD21      LEU   9  10.289 -11.113  -9.509
   60   HD22  LEU   9          HD22      LEU   9   9.220 -10.712  -8.167
   61   HD23  LEU   9          HD23      LEU   9  10.929 -10.285  -8.092
   62    H    ALA  10           HN       ALA  10   8.774  -5.726 -10.447
   63    HA   ALA  10           HA       ALA  10   9.799  -3.986  -8.432
   64    HB1  ALA  10           HB1      ALA  10   7.503  -3.158  -8.273
   65    HB2  ALA  10           HB2      ALA  10   6.948  -4.499  -9.274
   66    HB3  ALA  10           HB3      ALA  10   8.023  -3.278  -9.954
   67    HA   PRO  11           HA       PRO  11   9.446  -6.905  -5.099
   68    HB2  PRO  11           HB2      PRO  11   9.551  -4.480  -3.408
   69    HB3  PRO  11           HB1      PRO  11  10.604  -5.899  -3.405
   70    HG2  PRO  11           HG2      PRO  11  11.443  -3.567  -4.390
   71    HG3  PRO  11           HG1      PRO  11  11.904  -5.102  -5.146
   72    HD2  PRO  11           HD2      PRO  11   9.846  -3.109  -6.004
   73    HD3  PRO  11           HD1      PRO  11  10.988  -4.052  -6.985
   74    H    GLY  12           HN       GLY  12   7.359  -4.210  -5.582
   75    HA2  GLY  12           HA2      GLY  12   5.038  -4.209  -5.330
   76    HA3  GLY  12           HA1      GLY  12   5.165  -5.692  -4.394
   77    H    ALA  13           HN       ALA  13   6.899  -4.960  -2.398
   78    HA   ALA  13           HA       ALA  13   5.176  -3.250  -0.820
   79    HB1  ALA  13           HB1      ALA  13   6.557  -3.935   1.070
   80    HB2  ALA  13           HB2      ALA  13   7.663  -4.757  -0.030
   81    HB3  ALA  13           HB3      ALA  13   6.004  -5.329   0.145
   82    H    ARG  14           HN       ARG  14   5.738  -1.425  -2.256
   83    HA   ARG  14           HA       ARG  14   7.371   0.376  -0.793
   84    HB2  ARG  14           HB2      ARG  14   9.178  -0.718  -2.069
   85    HB3  ARG  14           HB1      ARG  14   8.337  -0.353  -3.573
   86    HG2  ARG  14           HG2      ARG  14   8.608   2.010  -3.202
   87    HG3  ARG  14           HG1      ARG  14   9.331   1.711  -1.621
   88    HD2  ARG  14           HD2      ARG  14  11.201   0.567  -2.687
   89    HD3  ARG  14           HD1      ARG  14  10.468   0.832  -4.270
   90    HE   ARG  14           HE       ARG  14  10.935   3.138  -4.083
   91   HH11  ARG  14          HH11      ARG  14  12.210   1.265  -1.411
   92   HH12  ARG  14          HH12      ARG  14  13.294   2.512  -0.888
   93   HH21  ARG  14          HH21      ARG  14  12.352   4.790  -3.385
   94   HH22  ARG  14          HH22      ARG  14  13.379   4.513  -2.011
   95    H    CYS  15           HN       CYS  15   6.572   2.363  -1.068
   96    HA   CYS  15           HA       CYS  15   4.242   2.691  -2.663
   97    HB2  CYS  15           HB2      CYS  15   4.467   3.774  -0.497
   98    HB3  CYS  15           HB1      CYS  15   5.888   4.643  -1.053
   99    H    GLY  16           HN       GLY  16   4.525   2.707  -4.816
  100    HA2  GLY  16           HA2      GLY  16   6.770   4.062  -6.035
  101    HA3  GLY  16           HA1      GLY  16   5.483   3.207  -6.871
  102    H    VAL  17           HN       VAL  17   3.770   4.998  -4.905
  103    HA   VAL  17           HA       VAL  17   2.928   6.862  -6.825
  104    HB   VAL  17           HB       VAL  17   2.575   7.112  -3.838
  105   HG11  VAL  17          HG11      VAL  17   0.521   8.314  -4.447
  106   HG12  VAL  17          HG12      VAL  17   0.942   8.150  -6.151
  107   HG13  VAL  17          HG13      VAL  17   1.963   9.108  -5.080
  108   HG21  VAL  17          HG21      VAL  17   1.883   4.890  -4.556
  109   HG22  VAL  17          HG22      VAL  17   0.876   5.599  -5.817
  110   HG23  VAL  17          HG23      VAL  17   0.484   5.870  -4.120
  111    H    CYS  18           HN       CYS  18   4.933   7.298  -3.908
  112    HA   CYS  18           HA       CYS  18   5.838   9.863  -4.990
  113    HB2  CYS  18           HB2      CYS  18   6.831  10.278  -2.791
  114    HB3  CYS  18           HB1      CYS  18   5.129   9.864  -2.628
  115    H    GLY  19           HN       GLY  19   6.846   6.607  -4.311
  116    HA2  GLY  19           HA2      GLY  19   8.574   5.586  -5.598
  117    HA3  GLY  19           HA1      GLY  19   9.351   7.157  -5.741
  118    H    ASP  20           HN       ASP  20   8.268   6.798  -2.635
  119    HA   ASP  20           HA       ASP  20  10.899   5.828  -1.745
  120    HB2  ASP  20           HB2      ASP  20  10.774   8.230  -1.438
  121    HB3  ASP  20           HB1      ASP  20   9.224   8.082  -0.620
  122    H    GLY  21           HN       GLY  21  10.971   4.547   0.079
  123    HA2  GLY  21           HA2      GLY  21   8.351   3.568   1.052
  124    HA3  GLY  21           HA1      GLY  21   9.777   2.558   0.870
  125    H    THR  22           HN       THR  22  10.367   5.719   2.049
  126    HA   THR  22           HA       THR  22  11.355   4.646   4.526
  127    HB   THR  22           HB       THR  22  11.175   7.548   3.695
  128    HG1  THR  22           HG1      THR  22  12.427   6.632   2.150
  129   HG21  THR  22          HG21      THR  22  12.964   6.140   5.683
  130   HG22  THR  22          HG22      THR  22  11.618   7.208   6.080
  131   HG23  THR  22          HG23      THR  22  13.042   7.850   5.258
  132    H    ASP  23           HN       ASP  23  10.266   4.455   6.356
  133    HA   ASP  23           HA       ASP  23   8.579   4.507   7.874
  134    HB2  ASP  23           HB2      ASP  23   8.830   7.404   7.121
  135    HB3  ASP  23           HB1      ASP  23   7.617   6.880   8.284
  136    H    VAL  24           HN       VAL  24   7.726   3.370   5.757
  137    HA   VAL  24           HA       VAL  24   5.389   4.697   4.638
  138    HB   VAL  24           HB       VAL  24   7.139   3.430   3.283
  139   HG11  VAL  24          HG11      VAL  24   7.285   1.496   4.809
  140   HG12  VAL  24          HG12      VAL  24   7.003   1.052   3.129
  141   HG13  VAL  24          HG13      VAL  24   5.673   1.006   4.286
  142   HG21  VAL  24          HG21      VAL  24   4.986   4.110   2.369
  143   HG22  VAL  24          HG22      VAL  24   4.272   2.600   2.940
  144   HG23  VAL  24          HG23      VAL  24   5.528   2.571   1.700
  145    H    LEU  25           HN       LEU  25   3.295   3.655   4.636
  146    HA   LEU  25           HA       LEU  25   2.777   2.138   7.054
  147    HB2  LEU  25           HB2      LEU  25   0.907   3.207   4.934
  148    HB3  LEU  25           HB1      LEU  25   0.389   2.366   6.383
  149    HG   LEU  25           HG       LEU  25   1.855   5.006   6.325
  150   HD11  LEU  25          HD11      LEU  25  -1.030   4.381   6.935
  151   HD12  LEU  25          HD12      LEU  25  -0.433   5.164   5.473
  152   HD13  LEU  25          HD13      LEU  25  -0.263   5.967   7.034
  153   HD21  LEU  25          HD21      LEU  25   0.676   3.420   8.604
  154   HD22  LEU  25          HD22      LEU  25   1.266   5.076   8.723
  155   HD23  LEU  25          HD23      LEU  25   2.383   3.770   8.330
  156    H    ARG  26           HN       ARG  26   1.825   0.082   7.081
  157    HA   ARG  26           HA       ARG  26   2.415  -1.477   4.655
  158    HB2  ARG  26           HB2      ARG  26   3.687  -1.868   6.870
  159    HB3  ARG  26           HB1      ARG  26   2.193  -2.589   7.445
  160    HG2  ARG  26           HG2      ARG  26   3.647  -4.324   6.683
  161    HG3  ARG  26           HG1      ARG  26   2.292  -4.190   5.562
  162    HD2  ARG  26           HD2      ARG  26   4.479  -4.468   4.433
  163    HD3  ARG  26           HD1      ARG  26   3.646  -2.981   3.984
  164    HE   ARG  26           HE       ARG  26   5.231  -2.118   5.954
  165   HH11  ARG  26          HH11      ARG  26   5.934  -4.194   3.230
  166   HH12  ARG  26          HH12      ARG  26   7.571  -3.647   3.070
  167   HH21  ARG  26          HH21      ARG  26   7.386  -1.399   5.763
  168   HH22  ARG  26          HH22      ARG  26   8.403  -2.060   4.520
  169    H    CYS  27           HN       CYS  27   0.861  -2.767   3.786
  170    HA   CYS  27           HA       CYS  27  -1.846  -2.390   4.564
  171    HB2  CYS  27           HB2      CYS  27  -0.909  -2.990   2.218
  172    HB3  CYS  27           HB1      CYS  27  -0.925  -4.664   2.791
  173    H    THR  28           HN       THR  28  -3.192  -3.657   5.759
  174    HA   THR  28           HA       THR  28  -1.916  -5.751   7.342
  175    HB   THR  28           HB       THR  28  -3.981  -5.649   8.713
  176    HG1  THR  28           HG1      THR  28  -5.663  -4.538   8.043
  177   HG21  THR  28          HG21      THR  28  -2.664  -2.977   8.225
  178   HG22  THR  28          HG22      THR  28  -2.059  -4.249   9.285
  179   HG23  THR  28          HG23      THR  28  -3.572  -3.430   9.666
  180    H    HIS  29           HN       HIS  29  -4.204  -5.379   4.783
  181    HA   HIS  29           HA       HIS  29  -5.356  -8.020   5.199
  182    HB2  HIS  29           HB2      HIS  29  -5.913  -5.886   3.131
  183    HB3  HIS  29           HB1      HIS  29  -6.714  -7.453   3.156
  184    HD1  HIS  29           HD1      HIS  29  -8.515  -7.837   4.954
  185    HD2  HIS  29           HD2      HIS  29  -6.721  -4.095   5.153
  186    HE1  HIS  29           HE1      HIS  29  -9.965  -6.477   6.486
  187    HE2  HIS  29           HE2      HIS  29  -8.976  -4.162   6.414
  188    H    CYS  30           HN       CYS  30  -2.874  -6.523   3.388
  189    HA   CYS  30           HA       CYS  30  -2.057  -9.118   2.413
  190    HB2  CYS  30           HB2      CYS  30  -2.007  -8.655   0.131
  191    HB3  CYS  30           HB1      CYS  30  -3.508  -7.870   0.607
  192    H    ALA  31           HN       ALA  31   0.118  -8.362   0.933
  193    HA   ALA  31           HA       ALA  31   1.650  -6.794   2.869
  194    HB1  ALA  31           HB1      ALA  31   2.638  -8.741   0.786
  195    HB2  ALA  31           HB2      ALA  31   2.451  -9.081   2.505
  196    HB3  ALA  31           HB3      ALA  31   3.634  -7.892   1.966
  197    H    ALA  32           HN       ALA  32   1.905  -4.752   2.299
  198    HA   ALA  32           HA       ALA  32   2.951  -4.000  -0.251
  199    HB1  ALA  32           HB1      ALA  32   0.599  -4.240  -0.894
  200    HB2  ALA  32           HB2      ALA  32   1.095  -2.547  -0.946
  201    HB3  ALA  32           HB3      ALA  32   0.126  -3.143   0.401
  202    H    ALA  33           HN       ALA  33   3.791  -1.936  -0.215
  203    HA   ALA  33           HA       ALA  33   3.643  -0.538   2.374
  204    HB1  ALA  33           HB1      ALA  33   5.816  -0.513   0.284
  205    HB2  ALA  33           HB2      ALA  33   5.882  -1.300   1.861
  206    HB3  ALA  33           HB3      ALA  33   5.808   0.459   1.753
  207    H    PHE  34           HN       PHE  34   2.553   1.299   2.378
  208    HA   PHE  34           HA       PHE  34   2.596   3.032   0.044
  209    HB2  PHE  34           HB2      PHE  34   0.174   3.169  -0.137
  210    HB3  PHE  34           HB1      PHE  34   0.690   1.501  -0.354
  211    HD1  PHE  34           HD2      PHE  34   0.457  -0.091   1.599
  212    HD2  PHE  34           HD1      PHE  34  -1.392   3.741   1.507
  213    HE1  PHE  34           HE2      PHE  34  -1.109  -0.809   3.355
  214    HE2  PHE  34           HE1      PHE  34  -2.960   3.030   3.263
  215    HZ   PHE  34           HZ       PHE  34  -2.829   0.764   4.187
  216    H    HIS  35           HN       HIS  35   2.359   5.167   0.590
  217    HA   HIS  35           HA       HIS  35   1.994   5.811   3.406
  218    HB2  HIS  35           HB2      HIS  35   2.556   7.594   1.023
  219    HB3  HIS  35           HB1      HIS  35   2.423   8.157   2.682
  220    HD2  HIS  35           HD2      HIS  35   4.561   7.337   4.384
  221    HE1  HIS  35           HE1      HIS  35   7.096   6.459   1.099
  222    HE2  HIS  35           HE2      HIS  35   7.015   6.999   3.586
  223    H    TRP  36           HN       TRP  36   0.194   6.787   4.226
  224    HA   TRP  36           HA       TRP  36  -2.259   6.517   2.905
  225    HB2  TRP  36           HB2      TRP  36  -2.028   6.692   5.373
  226    HB3  TRP  36           HB1      TRP  36  -1.610   8.394   5.194
  227    HD1  TRP  36           HD1      TRP  36  -3.587  10.103   4.759
  228    HE1  TRP  36           HE1      TRP  36  -6.153   9.882   4.824
  229    HE3  TRP  36           HE3      TRP  36  -3.949   5.007   4.891
  230    HZ2  TRP  36           HZ2      TRP  36  -8.067   7.810   4.920
  231    HZ3  TRP  36           HZ3      TRP  36  -6.183   3.982   4.974
  232    HH2  TRP  36           HH2      TRP  36  -8.201   5.360   4.984
  233    H    ARG  37           HN       ARG  37  -0.127   9.300   3.316
  234    HA   ARG  37           HA       ARG  37  -1.863  11.202   2.148
  235    HB2  ARG  37           HB2      ARG  37   1.142  11.227   2.456
  236    HB3  ARG  37           HB1      ARG  37   0.172  12.618   1.989
  237    HG2  ARG  37           HG2      ARG  37  -0.966  12.588   4.114
  238    HG3  ARG  37           HG1      ARG  37  -0.111  11.120   4.581
  239    HD2  ARG  37           HD2      ARG  37   2.009  12.317   4.495
  240    HD3  ARG  37           HD1      ARG  37   1.170  13.785   3.993
  241    HE   ARG  37           HE       ARG  37  -0.065  13.273   6.287
  242   HH11  ARG  37          HH11      ARG  37   3.346  13.167   5.522
  243   HH12  ARG  37          HH12      ARG  37   3.848  13.652   7.108
  244   HH21  ARG  37          HH21      ARG  37   0.594  13.890   8.387
  245   HH22  ARG  37          HH22      ARG  37   2.285  14.050   8.740
  246    H    CYS  38           HN       CYS  38   0.339   8.898   0.783
  247    HA   CYS  38           HA       CYS  38   0.426  10.194  -1.791
  248    HB2  CYS  38           HB2      CYS  38   1.294   7.405  -1.001
  249    HB3  CYS  38           HB1      CYS  38   1.689   8.229  -2.505
  250    H    HIS  39           HN       HIS  39  -1.610   7.955  -0.159
  251    HA   HIS  39           HA       HIS  39  -2.752   6.989  -2.683
  252    HB2  HIS  39           HB2      HIS  39  -2.733   5.936   0.113
  253    HB3  HIS  39           HB1      HIS  39  -4.027   5.457  -0.977
  254    HD1  HIS  39           HD1      HIS  39  -3.450   3.118  -1.554
  255    HD2  HIS  39           HD2      HIS  39  -0.173   5.654  -1.876
  256    HE1  HIS  39           HE1      HIS  39  -1.586   1.698  -2.481
  257    HE2  HIS  39           HE2      HIS  39   0.406   3.232  -2.602
  258    H    PHE  40           HN       PHE  40  -3.642   8.594   0.335
  259    HA   PHE  40           HA       PHE  40  -6.255   9.222  -0.866
  260    HB2  PHE  40           HB2      PHE  40  -5.667   8.591   2.035
  261    HB3  PHE  40           HB1      PHE  40  -7.222   9.134   1.416
  262    HD1  PHE  40           HD2      PHE  40  -8.509   7.667  -0.121
  263    HD2  PHE  40           HD1      PHE  40  -5.004   6.330   1.886
  264    HE1  PHE  40           HE2      PHE  40  -9.153   5.332  -0.558
  265    HE2  PHE  40           HE1      PHE  40  -5.639   3.995   1.452
  266    HZ   PHE  40           HZ       PHE  40  -7.717   3.492   0.226
  267    HA   PRO  41           HA       PRO  41  -5.080  13.480  -0.002
  268    HB2  PRO  41           HB2      PRO  41  -7.981  13.923  -0.358
  269    HB3  PRO  41           HB1      PRO  41  -6.621  14.654  -1.216
  270    HG2  PRO  41           HG2      PRO  41  -8.187  12.852  -2.407
  271    HG3  PRO  41           HG1      PRO  41  -6.438  12.890  -2.704
  272    HD2  PRO  41           HD2      PRO  41  -8.019  11.063  -0.932
  273    HD3  PRO  41           HD1      PRO  41  -6.676  10.683  -2.032
  274    H    ALA  42           HN       ALA  42  -5.807  15.137   1.529
  275    HA   ALA  42           HA       ALA  42  -6.095  14.028   4.107
  276    HB1  ALA  42           HB1      ALA  42  -6.312  16.911   3.256
  277    HB2  ALA  42           HB2      ALA  42  -4.821  16.064   3.672
  278    HB3  ALA  42           HB3      ALA  42  -6.058  16.328   4.901
  279    H    GLY  43           HN       GLY  43  -8.443  14.604   1.822
  280    HA2  GLY  43           HA2      GLY  43 -10.620  15.407   3.447
  281    HA3  GLY  43           HA1      GLY  43 -10.737  14.552   1.914
  282    H    THR  44           HN       THR  44  -9.051  12.337   2.882
  283    HA   THR  44           HA       THR  44 -11.108  10.955   4.460
  284    HB   THR  44           HB       THR  44  -8.783   9.687   3.002
  285    HG1  THR  44           HG1      THR  44 -11.235  10.665   2.064
  286   HG21  THR  44          HG21      THR  44  -9.970   8.339   4.729
  287   HG22  THR  44          HG22      THR  44 -10.128   7.677   3.102
  288   HG23  THR  44          HG23      THR  44 -11.466   8.567   3.825
  289    H    SER  45           HN       SER  45 -10.650  10.089   6.434
  290    HA   SER  45           HA       SER  45  -8.244  11.089   7.719
  291    HB2  SER  45           HB2      SER  45 -10.417  11.452   8.797
  292    HB3  SER  45           HB1      SER  45 -10.691   9.712   8.852
  293    HG   SER  45           HG       SER  45  -9.908  10.248  10.823
  294    H    ARG  46           HN       ARG  46  -6.665   9.853   8.626
  295    HA   ARG  46           HA       ARG  46  -6.420   7.139   7.676
  296    HB2  ARG  46           HB2      ARG  46  -4.489   8.679   7.679
  297    HB3  ARG  46           HB1      ARG  46  -4.575   8.772   9.433
  298    HG2  ARG  46           HG2      ARG  46  -4.188   6.292   9.485
  299    HG3  ARG  46           HG1      ARG  46  -3.862   6.381   7.753
  300    HD2  ARG  46           HD2      ARG  46  -1.774   6.455   8.961
  301    HD3  ARG  46           HD1      ARG  46  -2.069   8.026   8.215
  302    HE   ARG  46           HE       ARG  46  -3.107   8.261  10.730
  303   HH11  ARG  46          HH11      ARG  46   0.033   7.393   9.450
  304   HH12  ARG  46          HH12      ARG  46   0.899   7.997  10.822
  305   HH21  ARG  46          HH21      ARG  46  -1.974   9.049  12.541
  306   HH22  ARG  46          HH22      ARG  46  -0.241   8.934  12.586
  307    HA   PRO  47           HA       PRO  47  -8.100   5.509  11.526
  308    HB2  PRO  47           HB2      PRO  47  -8.080   2.918  10.753
  309    HB3  PRO  47           HB1      PRO  47  -9.319   4.057  10.213
  310    HG2  PRO  47           HG2      PRO  47  -6.895   3.070   8.775
  311    HG3  PRO  47           HG1      PRO  47  -8.531   3.349   8.154
  312    HD2  PRO  47           HD2      PRO  47  -6.454   5.091   7.803
  313    HD3  PRO  47           HD1      PRO  47  -8.157   5.587   7.838
  314    H    GLY  48           HN       GLY  48  -7.281   4.188  13.218
  315    HA2  GLY  48           HA2      GLY  48  -4.380   3.978  13.244
  316    HA3  GLY  48           HA1      GLY  48  -5.462   3.723  14.607
  317    H    THR  49           HN       THR  49  -7.061   1.971  12.639
  318    HA   THR  49           HA       THR  49  -5.293  -0.336  12.448
  319    HB   THR  49           HB       THR  49  -6.394  -0.539  14.645
  320    HG1  THR  49           HG1      THR  49  -5.931  -2.450  13.456
  321   HG21  THR  49          HG21      THR  49  -8.815  -0.960  14.752
  322   HG22  THR  49          HG22      THR  49  -8.943  -0.568  13.037
  323   HG23  THR  49          HG23      THR  49  -8.445   0.669  14.190
  324    H    GLY  50           HN       GLY  50  -5.886  -1.812  10.837
  325    HA2  GLY  50           HA2      GLY  50  -7.203  -2.692   9.119
  326    HA3  GLY  50           HA1      GLY  50  -8.400  -1.442   9.425
  327    H    LEU  51           HN       LEU  51  -4.942  -1.238   8.641
  328    HA   LEU  51           HA       LEU  51  -5.504   0.729   6.605
  329    HB2  LEU  51           HB2      LEU  51  -3.095  -0.347   7.940
  330    HB3  LEU  51           HB1      LEU  51  -2.873   0.183   6.284
  331    HG   LEU  51           HG       LEU  51  -2.321   1.912   7.992
  332   HD11  LEU  51          HD11      LEU  51  -2.898   2.550   5.717
  333   HD12  LEU  51          HD12      LEU  51  -3.488   3.739   6.876
  334   HD13  LEU  51          HD13      LEU  51  -4.607   2.587   6.150
  335   HD21  LEU  51          HD21      LEU  51  -4.169   3.071   9.118
  336   HD22  LEU  51          HD22      LEU  51  -4.019   1.394   9.647
  337   HD23  LEU  51          HD23      LEU  51  -5.288   1.851   8.510
  338    H    ARG  52           HN       ARG  52  -5.938   0.278   4.569
  339    HA   ARG  52           HA       ARG  52  -4.933  -2.247   3.460
  340    HB2  ARG  52           HB2      ARG  52  -7.005  -2.594   2.263
  341    HB3  ARG  52           HB1      ARG  52  -7.347  -2.437   3.978
  342    HG2  ARG  52           HG2      ARG  52  -8.004  -0.100   3.597
  343    HG3  ARG  52           HG1      ARG  52  -7.717  -0.352   1.870
  344    HD2  ARG  52           HD2      ARG  52  -9.432  -2.058   1.799
  345    HD3  ARG  52           HD1      ARG  52  -9.684  -1.910   3.536
  346    HE   ARG  52           HE       ARG  52 -10.223   0.558   2.805
  347   HH11  ARG  52          HH11      ARG  52 -11.154  -2.416   1.207
  348   HH12  ARG  52          HH12      ARG  52 -12.641  -1.769   0.592
  349   HH21  ARG  52          HH21      ARG  52 -12.170   1.415   1.991
  350   HH22  ARG  52          HH22      ARG  52 -13.215   0.420   1.026
  351    H    CYS  53           HN       CYS  53  -4.039  -2.148   1.522
  352    HA   CYS  53           HA       CYS  53  -3.279   0.384   0.485
  353    HB2  CYS  53           HB2      CYS  53  -1.981  -0.863  -1.098
  354    HB3  CYS  53           HB1      CYS  53  -1.887  -1.716   0.439
  355    H    ARG  54           HN       ARG  54  -3.407   0.486  -2.151
  356    HA   ARG  54           HA       ARG  54  -6.047   1.303  -2.588
  357    HB2  ARG  54           HB2      ARG  54  -5.361   1.542  -4.992
  358    HB3  ARG  54           HB1      ARG  54  -4.342   2.376  -3.832
  359    HG2  ARG  54           HG2      ARG  54  -2.713   0.532  -3.987
  360    HG3  ARG  54           HG1      ARG  54  -3.726  -0.222  -5.220
  361    HD2  ARG  54           HD2      ARG  54  -3.409   1.602  -6.710
  362    HD3  ARG  54           HD1      ARG  54  -2.656   2.578  -5.454
  363    HE   ARG  54           HE       ARG  54  -1.292   0.107  -6.134
  364   HH11  ARG  54          HH11      ARG  54  -1.570   3.561  -6.624
  365   HH12  ARG  54          HH12      ARG  54   0.040   3.741  -7.242
  366   HH21  ARG  54          HH21      ARG  54   0.856   0.341  -6.944
  367   HH22  ARG  54          HH22      ARG  54   1.424   1.914  -7.408
  368    H    SER  55           HN       SER  55  -4.401  -1.661  -3.626
  369    HA   SER  55           HA       SER  55  -6.495  -2.641  -5.230
  370    HB2  SER  55           HB2      SER  55  -4.447  -4.247  -3.689
  371    HB3  SER  55           HB1      SER  55  -5.328  -4.761  -5.128
  372    HG   SER  55           HG       SER  55  -3.961  -3.712  -6.327
  373    H    CYS  56           HN       CYS  56  -5.706  -3.109  -1.810
  374    HA   CYS  56           HA       CYS  56  -7.943  -4.792  -1.250
  375    HB2  CYS  56           HB2      CYS  56  -6.115  -3.179   0.528
  376    HB3  CYS  56           HB1      CYS  56  -7.373  -4.242   1.146
  377    H    SER  57           HN       SER  57  -7.562  -1.426  -1.656
  378    HA   SER  57           HA       SER  57  -9.680  -0.642   0.123
  379    HB2  SER  57           HB2      SER  57  -7.678   0.782  -0.361
  380    HB3  SER  57           HB1      SER  57  -8.279   0.996  -2.003
  381    HG   SER  57           HG       SER  57  -9.286   1.989   0.425
  382    H    GLY  58           HN       GLY  58  -9.471  -1.822  -3.047
  383    HA2  GLY  58           HA2      GLY  58 -11.994  -0.620  -3.884
  384    HA3  GLY  58           HA1      GLY  58 -10.973  -1.678  -4.851
  385    H    ASP  59           HN       ASP  59 -13.908  -1.738  -4.129
  386    HA   ASP  59           HA       ASP  59 -14.072  -4.203  -2.592
  387    HB2  ASP  59           HB2      ASP  59 -16.428  -3.891  -2.534
  388    HB3  ASP  59           HB1      ASP  59 -15.731  -2.289  -2.313
  389    H    VAL  60           HN       VAL  60 -15.082  -6.100  -3.410
  390    HA   VAL  60           HA       VAL  60 -15.205  -6.271  -6.329
  391    HB   VAL  60           HB       VAL  60 -12.995  -7.081  -5.757
  392   HG11  VAL  60          HG11      VAL  60 -12.656  -9.044  -4.332
  393   HG12  VAL  60          HG12      VAL  60 -14.373  -9.043  -3.930
  394   HG13  VAL  60          HG13      VAL  60 -13.352  -7.694  -3.434
  395   HG21  VAL  60          HG21      VAL  60 -13.120  -9.333  -6.720
  396   HG22  VAL  60          HG22      VAL  60 -14.145  -8.187  -7.584
  397   HG23  VAL  60          HG23      VAL  60 -14.864  -9.339  -6.459
  398    H    THR  61           HN       THR  61 -17.047  -7.107  -6.956
  399    HA   THR  61           HA       THR  61 -18.764  -8.534  -5.140
  400    HB   THR  61           HB       THR  61 -20.183  -8.728  -7.302
  401    HG1  THR  61           HG1      THR  61 -18.589  -8.250  -8.819
  402   HG21  THR  61          HG21      THR  61 -20.647  -7.137  -5.485
  403   HG22  THR  61          HG22      THR  61 -20.977  -6.431  -7.065
  404   HG23  THR  61          HG23      THR  61 -19.506  -5.998  -6.196
  405    HA   PRO  62           HA       PRO  62 -16.794 -12.455  -6.126
  406    HB2  PRO  62           HB2      PRO  62 -19.195 -13.485  -4.714
  407    HB3  PRO  62           HB1      PRO  62 -17.484 -13.813  -4.414
  408    HG2  PRO  62           HG2      PRO  62 -18.874 -12.233  -2.782
  409    HG3  PRO  62           HG1      PRO  62 -17.189 -11.867  -3.194
  410    HD2  PRO  62           HD2      PRO  62 -19.705 -10.629  -4.233
  411    HD3  PRO  62           HD1      PRO  62 -18.158  -9.864  -3.820
  412    H    ALA  63           HN       ALA  63 -17.026 -13.739  -7.838
  413    HA   ALA  63           HA       ALA  63 -19.525 -13.567  -9.344
  414    HB1  ALA  63           HB1      ALA  63 -17.462 -12.951 -10.511
  415    HB2  ALA  63           HB2      ALA  63 -18.215 -14.366 -11.244
  416    HB3  ALA  63           HB3      ALA  63 -16.807 -14.558 -10.201
  417    HA   PRO  64           HA       PRO  64 -20.461 -17.779  -8.266
  418    HB2  PRO  64           HB2      PRO  64 -22.231 -17.990 -10.540
  419    HB3  PRO  64           HB1      PRO  64 -22.648 -17.819  -8.836
  420    HG2  PRO  64           HG2      PRO  64 -23.089 -15.882 -10.720
  421    HG3  PRO  64           HG1      PRO  64 -22.881 -15.555  -8.992
  422    HD2  PRO  64           HD2      PRO  64 -20.923 -15.263 -11.229
  423    HD3  PRO  64           HD1      PRO  64 -21.174 -14.238  -9.800
  424    H    VAL  65           HN       VAL  65 -18.109 -17.931  -9.286
  425    HA   VAL  65           HA       VAL  65 -18.237 -20.163 -11.126
  426    HB   VAL  65           HB       VAL  65 -18.069 -18.312 -12.689
  427   HG11  VAL  65          HG11      VAL  65 -15.583 -17.501 -11.191
  428   HG12  VAL  65          HG12      VAL  65 -17.112 -16.624 -11.224
  429   HG13  VAL  65          HG13      VAL  65 -16.155 -16.789 -12.699
  430   HG21  VAL  65          HG21      VAL  65 -15.459 -19.789 -12.402
  431   HG22  VAL  65          HG22      VAL  65 -15.994 -18.935 -13.848
  432   HG23  VAL  65          HG23      VAL  65 -16.888 -20.340 -13.273
  433    H    GLU  66           HN       GLU  66 -16.831 -21.676 -10.523
  434    HA   GLU  66           HA       GLU  66 -14.805 -20.997  -8.541
  435    HB2  GLU  66           HB2      GLU  66 -15.825 -23.656  -9.551
  436    HB3  GLU  66           HB1      GLU  66 -14.537 -23.486  -8.367
  437    HG2  GLU  66           HG2      GLU  66 -17.365 -22.512  -8.035
  438    HG3  GLU  66           HG1      GLU  66 -16.685 -23.973  -7.320
  Start of MODEL   42
    1    H1   GLY   1           HT1      GLY   1   6.880 -21.299   3.699
    2    H2   GLY   1           HT2      GLY   1   7.083 -19.721   4.270
    3    H3   GLY   1           HT3      GLY   1   7.297 -21.033   5.315
    4    HA2  GLY   1           HA1      GLY   1   9.427 -20.120   4.654
    5    HA3  GLY   1           HA2      GLY   1   9.221 -21.769   4.079
    6    H    ALA   2           HN       ALA   2   8.661 -18.402   3.066
    7    HA   ALA   2           HA       ALA   2   8.472 -19.025   0.307
    8    HB1  ALA   2           HB1      ALA   2   8.560 -16.635  -0.064
    9    HB2  ALA   2           HB2      ALA   2   9.134 -16.376   1.582
   10    HB3  ALA   2           HB3      ALA   2   7.506 -16.995   1.304
   11    H    MET   3           HN       MET   3  11.049 -17.203   1.990
   12    HA   MET   3           HA       MET   3  13.054 -18.565   0.385
   13    HB2  MET   3           HB2      MET   3  14.065 -16.463  -0.408
   14    HB3  MET   3           HB1      MET   3  12.451 -16.706  -1.055
   15    HG2  MET   3           HG2      MET   3  11.534 -15.103   0.483
   16    HG3  MET   3           HG1      MET   3  13.090 -14.939   1.295
   17    HE1  MET   3           HE1      MET   3  12.357 -13.581  -3.058
   18    HE2  MET   3           HE2      MET   3  11.141 -14.391  -2.070
   19    HE3  MET   3           HE3      MET   3  12.575 -15.270  -2.598
   20    H    GLU   4           HN       GLU   4  12.453 -18.612   3.145
   21    HA   GLU   4           HA       GLU   4  14.006 -16.975   4.760
   22    HB2  GLU   4           HB2      GLU   4  14.056 -18.999   6.315
   23    HB3  GLU   4           HB1      GLU   4  12.475 -18.390   5.847
   24    HG2  GLU   4           HG2      GLU   4  12.279 -20.156   4.181
   25    HG3  GLU   4           HG1      GLU   4  13.874 -20.759   4.628
   26    H    GLY   5           HN       GLY   5  16.110 -16.837   5.252
   27    HA2  GLY   5           HA2      GLY   5  18.344 -17.693   5.408
   28    HA3  GLY   5           HA1      GLY   5  17.942 -18.868   4.160
   29    H    GLN   6           HN       GLN   6  16.554 -16.872   2.549
   30    HA   GLN   6           HA       GLN   6  18.880 -15.520   1.384
   31    HB2  GLN   6           HB2      GLN   6  16.092 -15.975   0.304
   32    HB3  GLN   6           HB1      GLN   6  17.374 -15.138  -0.556
   33    HG2  GLN   6           HG2      GLN   6  18.677 -17.144  -0.680
   34    HG3  GLN   6           HG1      GLN   6  17.520 -18.003   0.338
   35   HE21  GLN   6          HE21      GLN   6  16.517 -15.724  -2.096
   36   HE22  GLN   6          HE22      GLN   6  15.827 -16.888  -3.178
   37    H    GLN   7           HN       GLN   7  15.436 -14.863   1.965
   38    HA   GLN   7           HA       GLN   7  14.284 -12.954   2.405
   39    HB2  GLN   7           HB2      GLN   7  15.628 -13.372   4.530
   40    HB3  GLN   7           HB1      GLN   7  16.722 -12.118   3.969
   41    HG2  GLN   7           HG2      GLN   7  14.927 -10.494   4.009
   42    HG3  GLN   7           HG1      GLN   7  13.783 -11.746   4.494
   43   HE21  GLN   7          HE21      GLN   7  14.498  -9.291   5.861
   44   HE22  GLN   7          HE22      GLN   7  15.107  -9.756   7.412
   45    H    ASN   8           HN       ASN   8  15.002 -12.689  -0.010
   46    HA   ASN   8           HA       ASN   8  16.872 -10.586  -0.549
   47    HB2  ASN   8           HB2      ASN   8  14.876 -12.012  -2.312
   48    HB3  ASN   8           HB1      ASN   8  15.971 -10.764  -2.898
   49   HD21  ASN   8          HD21      ASN   8  18.194 -11.184  -2.958
   50   HD22  ASN   8          HD22      ASN   8  18.808 -12.802  -2.922
   51    H    LEU   9           HN       LEU   9  16.497  -8.515  -0.325
   52    HA   LEU   9           HA       LEU   9  14.022  -7.403   0.367
   53    HB2  LEU   9           HB2      LEU   9  16.458  -6.052  -0.796
   54    HB3  LEU   9           HB1      LEU   9  15.111  -5.219  -0.049
   55    HG   LEU   9           HG       LEU   9  16.994  -7.123   1.344
   56   HD11  LEU   9          HD11      LEU   9  16.698  -4.128   1.521
   57   HD12  LEU   9          HD12      LEU   9  18.045  -5.000   0.788
   58   HD13  LEU   9          HD13      LEU   9  17.758  -5.118   2.524
   59   HD21  LEU   9          HD21      LEU   9  14.777  -7.253   2.308
   60   HD22  LEU   9          HD22      LEU   9  14.686  -5.495   2.402
   61   HD23  LEU   9          HD23      LEU   9  15.850  -6.372   3.393
   62    H    ALA  10           HN       ALA  10  12.314  -7.455  -0.916
   63    HA   ALA  10           HA       ALA  10  12.599  -7.178  -3.796
   64    HB1  ALA  10           HB1      ALA  10  10.200  -7.714  -3.857
   65    HB2  ALA  10           HB2      ALA  10  10.164  -7.709  -2.095
   66    HB3  ALA  10           HB3      ALA  10  11.119  -8.916  -2.951
   67    HA   PRO  11           HA       PRO  11  11.714  -2.863  -3.830
   68    HB2  PRO  11           HB2      PRO  11  10.719  -2.633  -6.353
   69    HB3  PRO  11           HB1      PRO  11  12.438  -2.843  -6.004
   70    HG2  PRO  11           HG2      PRO  11  10.414  -4.879  -6.845
   71    HG3  PRO  11           HG1      PRO  11  12.085  -4.668  -7.398
   72    HD2  PRO  11           HD2      PRO  11  11.392  -6.549  -5.588
   73    HD3  PRO  11           HD1      PRO  11  12.967  -5.728  -5.548
   74    H    GLY  12           HN       GLY  12   9.364  -5.232  -3.805
   75    HA2  GLY  12           HA2      GLY  12   7.006  -3.763  -4.297
   76    HA3  GLY  12           HA1      GLY  12   7.124  -5.222  -3.321
   77    H    ALA  13           HN       ALA  13   9.054  -4.092  -1.462
   78    HA   ALA  13           HA       ALA  13   7.232  -2.583   0.200
   79    HB1  ALA  13           HB1      ALA  13  10.089  -3.418   0.699
   80    HB2  ALA  13           HB2      ALA  13   8.649  -4.300   1.206
   81    HB3  ALA  13           HB3      ALA  13   8.997  -2.713   1.890
   82    H    ARG  14           HN       ARG  14   7.131  -0.834  -1.405
   83    HA   ARG  14           HA       ARG  14   8.759   1.374  -0.662
   84    HB2  ARG  14           HB2      ARG  14  10.318   0.153  -2.194
   85    HB3  ARG  14           HB1      ARG  14   9.135   0.331  -3.480
   86    HG2  ARG  14           HG2      ARG  14   9.344   2.763  -3.333
   87    HG3  ARG  14           HG1      ARG  14  10.538   2.577  -2.046
   88    HD2  ARG  14           HD2      ARG  14  11.924   1.239  -3.636
   89    HD3  ARG  14           HD1      ARG  14  10.777   1.658  -4.906
   90    HE   ARG  14           HE       ARG  14  11.587   4.045  -3.744
   91   HH11  ARG  14          HH11      ARG  14  13.063   1.405  -5.513
   92   HH12  ARG  14          HH12      ARG  14  14.314   2.392  -6.194
   93   HH21  ARG  14          HH21      ARG  14  13.233   5.343  -4.624
   94   HH22  ARG  14          HH22      ARG  14  14.418   4.636  -5.678
   95    H    CYS  15           HN       CYS  15   7.532   3.146  -0.918
   96    HA   CYS  15           HA       CYS  15   4.946   2.915  -2.120
   97    HB2  CYS  15           HB2      CYS  15   5.301   4.229  -0.096
   98    HB3  CYS  15           HB1      CYS  15   6.435   5.268  -0.939
   99    H    GLY  16           HN       GLY  16   4.823   2.833  -4.275
  100    HA2  GLY  16           HA2      GLY  16   6.896   3.889  -5.943
  101    HA3  GLY  16           HA1      GLY  16   5.447   3.060  -6.479
  102    H    VAL  17           HN       VAL  17   3.863   5.103  -4.864
  103    HA   VAL  17           HA       VAL  17   3.190   6.780  -6.999
  104    HB   VAL  17           HB       VAL  17   2.665   7.179  -4.052
  105   HG11  VAL  17          HG11      VAL  17   0.822   8.641  -4.775
  106   HG12  VAL  17          HG12      VAL  17   1.370   8.482  -6.444
  107   HG13  VAL  17          HG13      VAL  17   2.399   9.274  -5.251
  108   HG21  VAL  17          HG21      VAL  17   1.766   5.084  -4.940
  109   HG22  VAL  17          HG22      VAL  17   0.936   5.979  -6.211
  110   HG23  VAL  17          HG23      VAL  17   0.477   6.212  -4.525
  111    H    CYS  18           HN       CYS  18   5.380   7.279  -4.276
  112    HA   CYS  18           HA       CYS  18   6.085   9.890  -5.425
  113    HB2  CYS  18           HB2      CYS  18   6.991  10.473  -3.226
  114    HB3  CYS  18           HB1      CYS  18   5.298  10.006  -3.106
  115    H    GLY  19           HN       GLY  19   7.490   6.979  -3.934
  116    HA2  GLY  19           HA2      GLY  19   9.340   6.040  -5.393
  117    HA3  GLY  19           HA1      GLY  19  10.041   7.645  -5.252
  118    H    ASP  20           HN       ASP  20   8.842   7.548  -2.371
  119    HA   ASP  20           HA       ASP  20  11.318   6.577  -1.210
  120    HB2  ASP  20           HB2      ASP  20   8.982   8.107  -0.086
  121    HB3  ASP  20           HB1      ASP  20  10.260   7.473   0.943
  122    H    GLY  21           HN       GLY  21  11.574   4.864   0.095
  123    HA2  GLY  21           HA2      GLY  21   9.207   3.187   0.636
  124    HA3  GLY  21           HA1      GLY  21  10.865   2.601   0.559
  125    H    THR  22           HN       THR  22  11.177   5.409   2.070
  126    HA   THR  22           HA       THR  22  11.361   4.242   4.693
  127    HB   THR  22           HB       THR  22  11.767   7.131   3.883
  128    HG1  THR  22           HG1      THR  22  14.004   6.491   3.760
  129   HG21  THR  22          HG21      THR  22  13.207   7.221   5.871
  130   HG22  THR  22          HG22      THR  22  12.792   5.548   6.245
  131   HG23  THR  22          HG23      THR  22  11.549   6.797   6.296
  132    H    ASP  23           HN       ASP  23   9.981   4.474   6.368
  133    HA   ASP  23           HA       ASP  23   8.259   5.156   7.675
  134    HB2  ASP  23           HB2      ASP  23   9.340   7.392   7.317
  135    HB3  ASP  23           HB1      ASP  23   8.218   7.658   5.993
  136    H    VAL  24           HN       VAL  24   7.639   3.435   5.705
  137    HA   VAL  24           HA       VAL  24   5.264   4.406   4.321
  138    HB   VAL  24           HB       VAL  24   5.252   2.105   3.290
  139   HG11  VAL  24          HG11      VAL  24   6.171   4.023   2.115
  140   HG12  VAL  24          HG12      VAL  24   7.118   2.573   1.777
  141   HG13  VAL  24          HG13      VAL  24   7.728   3.781   2.908
  142   HG21  VAL  24          HG21      VAL  24   7.375   0.830   3.439
  143   HG22  VAL  24          HG22      VAL  24   6.487   0.887   4.960
  144   HG23  VAL  24          HG23      VAL  24   7.898   1.917   4.724
  145    H    LEU  25           HN       LEU  25   3.267   3.352   4.427
  146    HA   LEU  25           HA       LEU  25   2.733   1.952   6.939
  147    HB2  LEU  25           HB2      LEU  25   0.897   3.167   4.865
  148    HB3  LEU  25           HB1      LEU  25   0.333   2.271   6.264
  149    HG   LEU  25           HG       LEU  25   1.939   4.825   6.393
  150   HD11  LEU  25          HD11      LEU  25  -0.141   5.883   7.070
  151   HD12  LEU  25          HD12      LEU  25  -1.002   4.361   6.845
  152   HD13  LEU  25          HD13      LEU  25  -0.290   5.183   5.458
  153   HD21  LEU  25          HD21      LEU  25   2.242   3.345   8.325
  154   HD22  LEU  25          HD22      LEU  25   0.494   3.283   8.543
  155   HD23  LEU  25          HD23      LEU  25   1.355   4.806   8.753
  156    H    ARG  26           HN       ARG  26   1.723  -0.073   6.938
  157    HA   ARG  26           HA       ARG  26   2.229  -1.591   4.467
  158    HB2  ARG  26           HB2      ARG  26   3.700  -2.050   6.455
  159    HB3  ARG  26           HB1      ARG  26   2.274  -2.609   7.314
  160    HG2  ARG  26           HG2      ARG  26   3.440  -4.507   6.489
  161    HG3  ARG  26           HG1      ARG  26   1.961  -4.327   5.546
  162    HD2  ARG  26           HD2      ARG  26   3.224  -3.282   3.745
  163    HD3  ARG  26           HD1      ARG  26   4.703  -3.401   4.696
  164    HE   ARG  26           HE       ARG  26   3.528  -5.953   4.413
  165   HH11  ARG  26          HH11      ARG  26   5.300  -3.554   2.572
  166   HH12  ARG  26          HH12      ARG  26   5.979  -4.715   1.476
  167   HH21  ARG  26          HH21      ARG  26   4.463  -7.475   3.003
  168   HH22  ARG  26          HH22      ARG  26   5.516  -6.944   1.730
  169    H    CYS  27           HN       CYS  27   0.563  -2.702   3.592
  170    HA   CYS  27           HA       CYS  27  -2.057  -2.428   4.607
  171    HB2  CYS  27           HB2      CYS  27  -1.370  -2.882   2.175
  172    HB3  CYS  27           HB1      CYS  27  -1.223  -4.580   2.642
  173    H    THR  28           HN       THR  28  -3.282  -3.717   5.853
  174    HA   THR  28           HA       THR  28  -1.926  -5.804   7.341
  175    HB   THR  28           HB       THR  28  -4.102  -5.843   8.639
  176    HG1  THR  28           HG1      THR  28  -4.732  -3.392   7.406
  177   HG21  THR  28          HG21      THR  28  -2.692  -3.179   8.398
  178   HG22  THR  28          HG22      THR  28  -2.164  -4.538   9.391
  179   HG23  THR  28          HG23      THR  28  -3.675  -3.708   9.764
  180    H    HIS  29           HN       HIS  29  -4.275  -5.501   4.823
  181    HA   HIS  29           HA       HIS  29  -5.250  -8.217   5.178
  182    HB2  HIS  29           HB2      HIS  29  -6.057  -5.924   3.427
  183    HB3  HIS  29           HB1      HIS  29  -6.607  -7.552   3.062
  184    HD1  HIS  29           HD1      HIS  29  -8.939  -7.782   3.854
  185    HD2  HIS  29           HD2      HIS  29  -6.613  -5.576   6.509
  186    HE1  HIS  29           HE1      HIS  29 -10.450  -7.234   5.790
  187    HE2  HIS  29           HE2      HIS  29  -8.986  -6.009   7.438
  188    H    CYS  30           HN       CYS  30  -2.908  -6.542   3.310
  189    HA   CYS  30           HA       CYS  30  -2.107  -9.056   2.126
  190    HB2  CYS  30           HB2      CYS  30  -2.220  -8.452  -0.129
  191    HB3  CYS  30           HB1      CYS  30  -3.730  -7.816   0.513
  192    H    ALA  31           HN       ALA  31  -0.168  -8.021   0.396
  193    HA   ALA  31           HA       ALA  31   1.638  -6.760   2.328
  194    HB1  ALA  31           HB1      ALA  31   2.290  -8.397  -0.120
  195    HB2  ALA  31           HB2      ALA  31   2.367  -8.952   1.551
  196    HB3  ALA  31           HB3      ALA  31   3.464  -7.692   0.991
  197    H    ALA  32           HN       ALA  32   1.883  -4.656   2.016
  198    HA   ALA  32           HA       ALA  32   2.628  -3.592  -0.528
  199    HB1  ALA  32           HB1      ALA  32  -0.041  -2.730   0.591
  200    HB2  ALA  32           HB2      ALA  32   0.198  -3.701  -0.860
  201    HB3  ALA  32           HB3      ALA  32   0.771  -2.032  -0.811
  202    H    ALA  33           HN       ALA  33   3.951  -1.936  -0.182
  203    HA   ALA  33           HA       ALA  33   3.815  -0.563   2.422
  204    HB1  ALA  33           HB1      ALA  33   5.895  -1.831   2.043
  205    HB2  ALA  33           HB2      ALA  33   6.179  -0.099   2.193
  206    HB3  ALA  33           HB3      ALA  33   6.203  -0.859   0.604
  207    H    PHE  34           HN       PHE  34   2.947   1.391   2.269
  208    HA   PHE  34           HA       PHE  34   3.593   3.131   0.033
  209    HB2  PHE  34           HB2      PHE  34   1.239   3.474  -0.588
  210    HB3  PHE  34           HB1      PHE  34   1.714   1.797  -0.828
  211    HD1  PHE  34           HD2      PHE  34   0.973   0.065   0.800
  212    HD2  PHE  34           HD1      PHE  34  -0.488   4.060   0.918
  213    HE1  PHE  34           HE2      PHE  34  -0.910  -0.667   2.200
  214    HE2  PHE  34           HE1      PHE  34  -2.374   3.333   2.318
  215    HZ   PHE  34           HZ       PHE  34  -2.586   0.967   2.960
  216    H    HIS  35           HN       HIS  35   2.707   5.313   0.354
  217    HA   HIS  35           HA       HIS  35   2.311   5.930   3.191
  218    HB2  HIS  35           HB2      HIS  35   2.753   7.786   0.838
  219    HB3  HIS  35           HB1      HIS  35   2.627   8.285   2.519
  220    HD2  HIS  35           HD2      HIS  35   4.716   6.129   3.809
  221    HE1  HIS  35           HE1      HIS  35   7.414   7.866   1.054
  222    HE2  HIS  35           HE2      HIS  35   7.201   6.680   3.291
  223    H    TRP  36           HN       TRP  36   0.428   6.733   3.968
  224    HA   TRP  36           HA       TRP  36  -1.965   6.302   2.573
  225    HB2  TRP  36           HB2      TRP  36  -1.773   6.382   5.057
  226    HB3  TRP  36           HB1      TRP  36  -1.545   8.123   4.953
  227    HD1  TRP  36           HD1      TRP  36  -3.684   9.600   4.794
  228    HE1  TRP  36           HE1      TRP  36  -6.210   9.108   4.738
  229    HE3  TRP  36           HE3      TRP  36  -3.502   4.534   4.148
  230    HZ2  TRP  36           HZ2      TRP  36  -7.900   6.864   4.456
  231    HZ3  TRP  36           HZ3      TRP  36  -5.618   3.288   3.993
  232    HH2  TRP  36           HH2      TRP  36  -7.771   4.429   4.144
  233    H    ARG  37           HN       ARG  37  -0.082   9.245   3.152
  234    HA   ARG  37           HA       ARG  37  -1.895  11.057   1.994
  235    HB2  ARG  37           HB2      ARG  37   1.109  11.208   2.252
  236    HB3  ARG  37           HB1      ARG  37   0.099  12.547   1.726
  237    HG2  ARG  37           HG2      ARG  37  -1.089  12.459   3.885
  238    HG3  ARG  37           HG1      ARG  37   0.012  11.183   4.408
  239    HD2  ARG  37           HD2      ARG  37   1.904  12.689   4.157
  240    HD3  ARG  37           HD1      ARG  37   0.833  13.960   3.567
  241    HE   ARG  37           HE       ARG  37   0.255  12.895   6.213
  242   HH11  ARG  37          HH11      ARG  37   1.735  15.424   4.302
  243   HH12  ARG  37          HH12      ARG  37   1.758  16.569   5.602
  244   HH21  ARG  37          HH21      ARG  37   0.295  14.393   7.931
  245   HH22  ARG  37          HH22      ARG  37   0.944  15.982   7.674
  246    H    CYS  38           HN       CYS  38   0.592   9.035   0.572
  247    HA   CYS  38           HA       CYS  38   0.459  10.243  -2.008
  248    HB2  CYS  38           HB2      CYS  38   1.588   7.599  -1.083
  249    HB3  CYS  38           HB1      CYS  38   1.728   8.203  -2.731
  250    H    HIS  39           HN       HIS  39  -1.437   7.922  -0.345
  251    HA   HIS  39           HA       HIS  39  -2.580   6.886  -2.836
  252    HB2  HIS  39           HB2      HIS  39  -2.440   5.918  -0.039
  253    HB3  HIS  39           HB1      HIS  39  -3.892   5.504  -0.943
  254    HD1  HIS  39           HD1      HIS  39  -3.699   3.306  -2.003
  255    HD2  HIS  39           HD2      HIS  39  -0.031   5.237  -1.831
  256    HE1  HIS  39           HE1      HIS  39  -2.044   1.686  -2.981
  257    HE2  HIS  39           HE2      HIS  39   0.112   2.985  -3.091
  258    H    PHE  40           HN       PHE  40  -3.495   8.607   0.101
  259    HA   PHE  40           HA       PHE  40  -6.002   9.415  -1.194
  260    HB2  PHE  40           HB2      PHE  40  -5.777   8.416   1.660
  261    HB3  PHE  40           HB1      PHE  40  -7.236   9.028   0.891
  262    HD1  PHE  40           HD2      PHE  40  -8.190   7.741  -1.068
  263    HD2  PHE  40           HD1      PHE  40  -5.189   6.167   1.501
  264    HE1  PHE  40           HE2      PHE  40  -8.747   5.466  -1.821
  265    HE2  PHE  40           HE1      PHE  40  -5.741   3.889   0.758
  266    HZ   PHE  40           HZ       PHE  40  -7.533   3.537  -0.909
  267    HA   PRO  41           HA       PRO  41  -4.660  13.335   0.439
  268    HB2  PRO  41           HB2      PRO  41  -6.856  14.792  -0.085
  269    HB3  PRO  41           HB1      PRO  41  -5.795  14.213  -1.374
  270    HG2  PRO  41           HG2      PRO  41  -8.407  13.103  -0.430
  271    HG3  PRO  41           HG1      PRO  41  -7.814  13.310  -2.087
  272    HD2  PRO  41           HD2      PRO  41  -7.754  10.932  -0.732
  273    HD3  PRO  41           HD1      PRO  41  -6.626  11.355  -2.034
  274    H    ALA  42           HN       ALA  42  -5.640  15.120   1.908
  275    HA   ALA  42           HA       ALA  42  -6.128  13.990   4.425
  276    HB1  ALA  42           HB1      ALA  42  -5.079  16.177   4.105
  277    HB2  ALA  42           HB2      ALA  42  -6.451  16.267   5.211
  278    HB3  ALA  42           HB3      ALA  42  -6.618  16.830   3.549
  279    H    GLY  43           HN       GLY  43  -8.310  14.904   1.903
  280    HA2  GLY  43           HA2      GLY  43 -10.691  15.199   3.350
  281    HA3  GLY  43           HA1      GLY  43 -10.578  14.634   1.690
  282    H    THR  44           HN       THR  44  -8.982  12.318   2.292
  283    HA   THR  44           HA       THR  44 -11.106  10.558   3.200
  284    HB   THR  44           HB       THR  44  -8.326   9.824   2.261
  285    HG1  THR  44           HG1      THR  44 -10.424  10.845   0.878
  286   HG21  THR  44          HG21      THR  44  -9.337   7.660   1.734
  287   HG22  THR  44          HG22      THR  44 -10.891   8.228   2.344
  288   HG23  THR  44          HG23      THR  44  -9.529   8.040   3.447
  289    H    SER  45           HN       SER  45 -11.152   9.556   5.152
  290    HA   SER  45           HA       SER  45  -9.175  10.413   7.103
  291    HB2  SER  45           HB2      SER  45 -11.763   8.884   7.459
  292    HB3  SER  45           HB1      SER  45 -10.758   9.523   8.762
  293    HG   SER  45           HG       SER  45 -11.117  11.581   7.298
  294    H    ARG  46           HN       ARG  46  -8.130   8.966   8.543
  295    HA   ARG  46           HA       ARG  46  -7.341   6.510   7.155
  296    HB2  ARG  46           HB2      ARG  46  -5.694   8.337   7.783
  297    HB3  ARG  46           HB1      ARG  46  -5.953   7.881   9.458
  298    HG2  ARG  46           HG2      ARG  46  -5.147   5.616   8.941
  299    HG3  ARG  46           HG1      ARG  46  -4.831   6.131   7.281
  300    HD2  ARG  46           HD2      ARG  46  -3.523   7.132   9.802
  301    HD3  ARG  46           HD1      ARG  46  -2.769   6.254   8.473
  302    HE   ARG  46           HE       ARG  46  -3.937   8.740   7.644
  303   HH11  ARG  46          HH11      ARG  46  -1.108   7.284   9.091
  304   HH12  ARG  46          HH12      ARG  46  -0.042   8.569   8.618
  305   HH21  ARG  46          HH21      ARG  46  -2.548  10.441   7.021
  306   HH22  ARG  46          HH22      ARG  46  -0.862  10.368   7.435
  307    HA   PRO  47           HA       PRO  47  -9.353   4.146  10.400
  308    HB2  PRO  47           HB2      PRO  47  -8.399   1.711   9.669
  309    HB3  PRO  47           HB1      PRO  47  -9.732   2.510   8.828
  310    HG2  PRO  47           HG2      PRO  47  -6.844   2.342   8.080
  311    HG3  PRO  47           HG1      PRO  47  -8.277   2.206   7.046
  312    HD2  PRO  47           HD2      PRO  47  -6.782   4.471   7.227
  313    HD3  PRO  47           HD1      PRO  47  -8.523   4.486   6.877
  314    H    GLY  48           HN       GLY  48  -8.731   3.506  12.403
  315    HA2  GLY  48           HA2      GLY  48  -5.950   3.880  13.112
  316    HA3  GLY  48           HA1      GLY  48  -7.280   3.567  14.218
  317    H    THR  49           HN       THR  49  -8.030   1.251  12.415
  318    HA   THR  49           HA       THR  49  -5.832  -0.592  12.913
  319    HB   THR  49           HB       THR  49  -7.164  -0.819  14.921
  320    HG1  THR  49           HG1      THR  49  -8.055  -3.077  13.553
  321   HG21  THR  49          HG21      THR  49  -9.497  -1.344  13.084
  322   HG22  THR  49          HG22      THR  49  -9.273   0.076  14.105
  323   HG23  THR  49          HG23      THR  49  -9.518  -1.510  14.840
  324    H    GLY  50           HN       GLY  50  -5.661  -2.162  11.380
  325    HA2  GLY  50           HA2      GLY  50  -6.264  -3.488   9.575
  326    HA3  GLY  50           HA1      GLY  50  -7.886  -2.814   9.655
  327    H    LEU  51           HN       LEU  51  -4.652  -1.425   9.161
  328    HA   LEU  51           HA       LEU  51  -5.469   0.534   7.329
  329    HB2  LEU  51           HB2      LEU  51  -3.214   0.087   8.676
  330    HB3  LEU  51           HB1      LEU  51  -2.731  -0.636   7.157
  331    HG   LEU  51           HG       LEU  51  -1.947   1.669   7.343
  332   HD11  LEU  51          HD11      LEU  51  -4.107   1.376   5.267
  333   HD12  LEU  51          HD12      LEU  51  -2.443   0.808   5.122
  334   HD13  LEU  51          HD13      LEU  51  -2.779   2.535   5.230
  335   HD21  LEU  51          HD21      LEU  51  -4.854   2.449   7.430
  336   HD22  LEU  51          HD22      LEU  51  -3.471   3.541   7.390
  337   HD23  LEU  51          HD23      LEU  51  -3.739   2.509   8.794
  338    H    ARG  52           HN       ARG  52  -6.093   0.371   5.265
  339    HA   ARG  52           HA       ARG  52  -5.481  -2.119   3.817
  340    HB2  ARG  52           HB2      ARG  52  -7.819  -0.227   3.509
  341    HB3  ARG  52           HB1      ARG  52  -7.504  -1.593   2.451
  342    HG2  ARG  52           HG2      ARG  52  -7.701  -3.082   4.448
  343    HG3  ARG  52           HG1      ARG  52  -8.224  -1.668   5.370
  344    HD2  ARG  52           HD2      ARG  52 -10.063  -1.338   3.757
  345    HD3  ARG  52           HD1      ARG  52  -9.562  -2.801   2.914
  346    HE   ARG  52           HE       ARG  52 -10.339  -2.920   5.744
  347   HH11  ARG  52          HH11      ARG  52 -10.857  -3.879   2.406
  348   HH12  ARG  52          HH12      ARG  52 -12.078  -5.043   2.805
  349   HH21  ARG  52          HH21      ARG  52 -11.964  -4.429   6.258
  350   HH22  ARG  52          HH22      ARG  52 -12.721  -5.343   4.989
  351    H    CYS  53           HN       CYS  53  -4.568  -2.014   1.831
  352    HA   CYS  53           HA       CYS  53  -3.609   0.495   0.819
  353    HB2  CYS  53           HB2      CYS  53  -2.556  -0.787  -0.911
  354    HB3  CYS  53           HB1      CYS  53  -2.399  -1.715   0.576
  355    H    ARG  54           HN       ARG  54  -4.015   0.601  -1.832
  356    HA   ARG  54           HA       ARG  54  -6.633   1.622  -1.972
  357    HB2  ARG  54           HB2      ARG  54  -4.737   2.412  -3.381
  358    HB3  ARG  54           HB1      ARG  54  -4.832   0.913  -4.294
  359    HG2  ARG  54           HG2      ARG  54  -7.048   1.462  -5.059
  360    HG3  ARG  54           HG1      ARG  54  -7.071   2.908  -4.052
  361    HD2  ARG  54           HD2      ARG  54  -6.587   3.568  -6.301
  362    HD3  ARG  54           HD1      ARG  54  -5.126   3.765  -5.338
  363    HE   ARG  54           HE       ARG  54  -5.325   1.247  -6.744
  364   HH11  ARG  54          HH11      ARG  54  -4.181   4.559  -6.826
  365   HH12  ARG  54          HH12      ARG  54  -3.023   4.264  -8.083
  366   HH21  ARG  54          HH21      ARG  54  -3.798   0.856  -8.398
  367   HH22  ARG  54          HH22      ARG  54  -2.821   2.161  -8.992
  368    H    SER  55           HN       SER  55  -5.215  -1.369  -3.207
  369    HA   SER  55           HA       SER  55  -7.469  -2.274  -4.616
  370    HB2  SER  55           HB2      SER  55  -5.342  -3.974  -3.314
  371    HB3  SER  55           HB1      SER  55  -6.348  -4.408  -4.694
  372    HG   SER  55           HG       SER  55  -5.305  -2.842  -5.913
  373    H    CYS  56           HN       CYS  56  -6.360  -3.030  -1.308
  374    HA   CYS  56           HA       CYS  56  -8.580  -4.733  -0.753
  375    HB2  CYS  56           HB2      CYS  56  -6.647  -3.392   1.143
  376    HB3  CYS  56           HB1      CYS  56  -7.804  -4.639   1.597
  377    H    SER  57           HN       SER  57  -8.195  -1.345  -0.778
  378    HA   SER  57           HA       SER  57 -10.257  -0.743   1.132
  379    HB2  SER  57           HB2      SER  57  -8.389   0.827   0.621
  380    HB3  SER  57           HB1      SER  57  -9.035   1.027  -1.006
  381    HG   SER  57           HG       SER  57 -10.299   2.488  -0.213
  382    H    GLY  58           HN       GLY  58 -10.204  -1.842  -2.062
  383    HA2  GLY  58           HA2      GLY  58 -13.037  -1.113  -2.366
  384    HA3  GLY  58           HA1      GLY  58 -11.919  -0.906  -3.705
  385    H    ASP  59           HN       ASP  59 -13.685  -2.332  -4.619
  386    HA   ASP  59           HA       ASP  59 -12.654  -5.048  -4.622
  387    HB2  ASP  59           HB2      ASP  59 -15.478  -4.332  -3.862
  388    HB3  ASP  59           HB1      ASP  59 -15.113  -5.877  -4.623
  389    H    VAL  60           HN       VAL  60 -12.889  -6.065  -6.568
  390    HA   VAL  60           HA       VAL  60 -14.010  -4.411  -8.729
  391    HB   VAL  60           HB       VAL  60 -12.022  -6.671  -9.018
  392   HG11  VAL  60          HG11      VAL  60 -13.322  -6.197 -11.022
  393   HG12  VAL  60          HG12      VAL  60 -11.643  -5.709 -11.239
  394   HG13  VAL  60          HG13      VAL  60 -12.880  -4.494 -10.923
  395   HG21  VAL  60          HG21      VAL  60 -10.311  -4.929  -9.326
  396   HG22  VAL  60          HG22      VAL  60 -11.001  -4.907  -7.703
  397   HG23  VAL  60          HG23      VAL  60 -11.501  -3.703  -8.890
  398    H    THR  61           HN       THR  61 -16.136  -5.157  -8.465
  399    HA   THR  61           HA       THR  61 -16.706  -7.973  -8.533
  400    HB   THR  61           HB       THR  61 -19.113  -7.123  -8.751
  401    HG1  THR  61           HG1      THR  61 -18.762  -5.040  -9.495
  402   HG21  THR  61          HG21      THR  61 -17.422  -6.308  -6.388
  403   HG22  THR  61          HG22      THR  61 -18.206  -7.869  -6.631
  404   HG23  THR  61          HG23      THR  61 -19.180  -6.422  -6.379
  405    HA   PRO  62           HA       PRO  62 -16.515  -8.091 -12.971
  406    HB2  PRO  62           HB2      PRO  62 -17.146 -10.707 -13.263
  407    HB3  PRO  62           HB1      PRO  62 -15.556 -10.164 -12.719
  408    HG2  PRO  62           HG2      PRO  62 -17.846 -11.229 -11.125
  409    HG3  PRO  62           HG1      PRO  62 -16.110 -11.526 -10.933
  410    HD2  PRO  62           HD2      PRO  62 -17.537  -9.775  -9.388
  411    HD3  PRO  62           HD1      PRO  62 -15.798  -9.623  -9.701
  412    H    ALA  63           HN       ALA  63 -17.977  -7.615 -14.466
  413    HA   ALA  63           HA       ALA  63 -20.802  -8.197 -13.895
  414    HB1  ALA  63           HB1      ALA  63 -21.343  -6.288 -15.300
  415    HB2  ALA  63           HB2      ALA  63 -19.633  -6.044 -15.655
  416    HB3  ALA  63           HB3      ALA  63 -20.234  -5.811 -14.014
  417    HA   PRO  64           HA       PRO  64 -20.675 -10.927 -17.457
  418    HB2  PRO  64           HB2      PRO  64 -23.610 -10.617 -17.344
  419    HB3  PRO  64           HB1      PRO  64 -22.633 -12.086 -17.264
  420    HG2  PRO  64           HG2      PRO  64 -23.874 -11.122 -15.098
  421    HG3  PRO  64           HG1      PRO  64 -22.276 -11.881 -14.989
  422    HD2  PRO  64           HD2      PRO  64 -22.999  -8.977 -14.967
  423    HD3  PRO  64           HD1      PRO  64 -21.791  -9.847 -13.997
  424    H    VAL  65           HN       VAL  65 -19.814  -9.368 -18.883
  425    HA   VAL  65           HA       VAL  65 -21.653  -7.503 -20.151
  426    HB   VAL  65           HB       VAL  65 -18.728  -7.968 -20.774
  427   HG11  VAL  65          HG11      VAL  65 -18.835  -5.753 -21.817
  428   HG12  VAL  65          HG12      VAL  65 -20.560  -5.668 -21.459
  429   HG13  VAL  65          HG13      VAL  65 -19.952  -6.884 -22.584
  430   HG21  VAL  65          HG21      VAL  65 -19.996  -5.913 -18.965
  431   HG22  VAL  65          HG22      VAL  65 -18.294  -5.964 -19.427
  432   HG23  VAL  65          HG23      VAL  65 -18.984  -7.269 -18.460
  433    H    GLU  66           HN       GLU  66 -22.996  -9.170 -21.008
  434    HA   GLU  66           HA       GLU  66 -21.899 -10.875 -23.091
  435    HB2  GLU  66           HB2      GLU  66 -24.745 -10.575 -22.101
  436    HB3  GLU  66           HB1      GLU  66 -24.165 -11.816 -23.201
  437    HG2  GLU  66           HG2      GLU  66 -22.763 -12.746 -21.462
  438    HG3  GLU  66           HG1      GLU  66 -23.247 -11.460 -20.355
  Start of MODEL   43
    1    H1   GLY   1           HT1      GLY   1  24.847 -11.313  15.504
    2    H2   GLY   1           HT2      GLY   1  23.669 -11.156  14.302
    3    H3   GLY   1           HT3      GLY   1  25.243 -11.608  13.890
    4    HA2  GLY   1           HA1      GLY   1  25.014 -13.683  15.071
    5    HA3  GLY   1           HA2      GLY   1  23.390 -13.211  15.554
    6    H    ALA   2           HN       ALA   2  22.297 -14.845  14.536
    7    HA   ALA   2           HA       ALA   2  22.813 -15.588  11.827
    8    HB1  ALA   2           HB1      ALA   2  20.872 -17.037  12.056
    9    HB2  ALA   2           HB2      ALA   2  20.438 -16.241  13.568
   10    HB3  ALA   2           HB3      ALA   2  21.926 -17.180  13.463
   11    H    MET   3           HN       MET   3  20.701 -13.314  13.405
   12    HA   MET   3           HA       MET   3  19.058 -12.890  11.076
   13    HB2  MET   3           HB2      MET   3  18.204 -12.524  13.384
   14    HB3  MET   3           HB1      MET   3  19.327 -11.184  13.561
   15    HG2  MET   3           HG2      MET   3  17.121 -10.357  13.058
   16    HG3  MET   3           HG1      MET   3  18.214 -10.014  11.720
   17    HE1  MET   3           HE1      MET   3  15.031 -13.356  11.678
   18    HE2  MET   3           HE2      MET   3  15.338 -12.289  13.049
   19    HE3  MET   3           HE3      MET   3  16.537 -13.497  12.586
   20    H    GLU   4           HN       GLU   4  20.749 -12.514   9.557
   21    HA   GLU   4           HA       GLU   4  21.649  -9.726   9.558
   22    HB2  GLU   4           HB2      GLU   4  23.522 -11.136  10.354
   23    HB3  GLU   4           HB1      GLU   4  23.402 -12.099   8.890
   24    HG2  GLU   4           HG2      GLU   4  23.988 -10.152   7.550
   25    HG3  GLU   4           HG1      GLU   4  24.094  -9.174   9.013
   26    H    GLY   5           HN       GLY   5  21.604  -8.767   7.564
   27    HA2  GLY   5           HA2      GLY   5  21.810  -9.664   5.069
   28    HA3  GLY   5           HA1      GLY   5  20.213 -10.263   5.493
   29    H    GLN   6           HN       GLN   6  21.997  -7.644   4.339
   30    HA   GLN   6           HA       GLN   6  20.257  -5.531   5.103
   31    HB2  GLN   6           HB2      GLN   6  21.478  -4.152   3.566
   32    HB3  GLN   6           HB1      GLN   6  22.621  -5.193   4.395
   33    HG2  GLN   6           HG2      GLN   6  21.554  -5.696   1.627
   34    HG3  GLN   6           HG1      GLN   6  23.076  -4.893   1.982
   35   HE21  GLN   6          HE21      GLN   6  22.564  -7.342   0.496
   36   HE22  GLN   6          HE22      GLN   6  23.482  -8.577   1.287
   37    H    GLN   7           HN       GLN   7  20.040  -7.999   2.781
   38    HA   GLN   7           HA       GLN   7  17.801  -6.612   1.463
   39    HB2  GLN   7           HB2      GLN   7  19.720  -8.677   0.384
   40    HB3  GLN   7           HB1      GLN   7  18.223  -8.246  -0.431
   41    HG2  GLN   7           HG2      GLN   7  18.953  -6.044  -0.828
   42    HG3  GLN   7           HG1      GLN   7  20.300  -6.209   0.293
   43   HE21  GLN   7          HE21      GLN   7  19.090  -6.982  -2.869
   44   HE22  GLN   7          HE22      GLN   7  20.604  -7.490  -3.537
   45    H    ASN   8           HN       ASN   8  18.021  -8.317   3.943
   46    HA   ASN   8           HA       ASN   8  16.637 -10.742   3.514
   47    HB2  ASN   8           HB2      ASN   8  17.788 -10.232   5.631
   48    HB3  ASN   8           HB1      ASN   8  16.646  -8.931   5.944
   49   HD21  ASN   8          HD21      ASN   8  15.928  -9.806   7.850
   50   HD22  ASN   8          HD22      ASN   8  14.949 -11.229   7.918
   51    H    LEU   9           HN       LEU   9  15.587  -7.454   4.244
   52    HA   LEU   9           HA       LEU   9  12.898  -8.186   3.299
   53    HB2  LEU   9           HB2      LEU   9  12.990  -7.225   5.580
   54    HB3  LEU   9           HB1      LEU   9  13.753  -5.787   4.931
   55    HG   LEU   9           HG       LEU   9  11.714  -5.334   3.601
   56   HD11  LEU   9          HD11      LEU   9  10.585  -7.676   5.128
   57   HD12  LEU   9          HD12      LEU   9  10.880  -7.605   3.389
   58   HD13  LEU   9          HD13      LEU   9   9.661  -6.562   4.119
   59   HD21  LEU   9          HD21      LEU   9  11.289  -5.655   6.567
   60   HD22  LEU   9          HD22      LEU   9  10.314  -4.653   5.493
   61   HD23  LEU   9          HD23      LEU   9  12.014  -4.267   5.757
   62    H    ALA  10           HN       ALA  10  13.659  -8.119   1.135
   63    HA   ALA  10           HA       ALA  10  14.959  -5.906  -0.024
   64    HB1  ALA  10           HB1      ALA  10  14.347  -6.916  -2.167
   65    HB2  ALA  10           HB2      ALA  10  13.244  -8.010  -1.335
   66    HB3  ALA  10           HB3      ALA  10  14.979  -8.118  -1.044
   67    HA   PRO  11           HA       PRO  11  11.529  -3.068  -0.302
   68    HB2  PRO  11           HB2      PRO  11  13.084  -1.651  -2.340
   69    HB3  PRO  11           HB1      PRO  11  12.601  -1.118  -0.729
   70    HG2  PRO  11           HG2      PRO  11  15.159  -1.702  -1.337
   71    HG3  PRO  11           HG1      PRO  11  14.476  -1.995   0.273
   72    HD2  PRO  11           HD2      PRO  11  14.966  -3.933  -1.958
   73    HD3  PRO  11           HD1      PRO  11  15.249  -4.120  -0.216
   74    H    GLY  12           HN       GLY  12  10.978  -5.327  -1.738
   75    HA2  GLY  12           HA2      GLY  12  10.473  -4.790  -4.498
   76    HA3  GLY  12           HA1      GLY  12   9.736  -6.069  -3.536
   77    H    ALA  13           HN       ALA  13   8.827  -4.114  -1.529
   78    HA   ALA  13           HA       ALA  13   6.642  -2.852  -3.042
   79    HB1  ALA  13           HB1      ALA  13   5.893  -4.500  -1.390
   80    HB2  ALA  13           HB2      ALA  13   5.366  -2.874  -0.960
   81    HB3  ALA  13           HB3      ALA  13   6.732  -3.610  -0.120
   82    H    ARG  14           HN       ARG  14   6.865  -0.756  -3.305
   83    HA   ARG  14           HA       ARG  14   7.893   0.931  -1.173
   84    HB2  ARG  14           HB2      ARG  14   9.883   0.169  -2.487
   85    HB3  ARG  14           HB1      ARG  14   9.166   0.884  -3.921
   86    HG2  ARG  14           HG2      ARG  14   9.302   3.088  -2.918
   87    HG3  ARG  14           HG1      ARG  14   9.965   2.388  -1.440
   88    HD2  ARG  14           HD2      ARG  14  11.762   3.298  -2.762
   89    HD3  ARG  14           HD1      ARG  14  11.884   1.540  -2.747
   90    HE   ARG  14           HE       ARG  14  10.443   2.154  -5.009
   91   HH11  ARG  14          HH11      ARG  14  13.615   2.927  -3.756
   92   HH12  ARG  14          HH12      ARG  14  14.336   3.108  -5.321
   93   HH21  ARG  14          HH21      ARG  14  11.390   2.392  -7.081
   94   HH22  ARG  14          HH22      ARG  14  13.068   2.809  -7.211
   95    H    CYS  15           HN       CYS  15   7.119   3.043  -1.338
   96    HA   CYS  15           HA       CYS  15   4.770   3.422  -2.847
   97    HB2  CYS  15           HB2      CYS  15   5.107   4.606  -0.749
   98    HB3  CYS  15           HB1      CYS  15   6.515   5.434  -1.406
   99    H    GLY  16           HN       GLY  16   4.850   3.461  -5.014
  100    HA2  GLY  16           HA2      GLY  16   7.055   4.442  -6.516
  101    HA3  GLY  16           HA1      GLY  16   5.476   4.016  -7.156
  102    H    VAL  17           HN       VAL  17   4.497   6.024  -4.977
  103    HA   VAL  17           HA       VAL  17   4.345   8.299  -6.715
  104    HB   VAL  17           HB       VAL  17   3.510   8.033  -3.820
  105   HG11  VAL  17          HG11      VAL  17   3.737  10.361  -4.488
  106   HG12  VAL  17          HG12      VAL  17   2.036   9.940  -4.283
  107   HG13  VAL  17          HG13      VAL  17   2.721  10.070  -5.902
  108   HG21  VAL  17          HG21      VAL  17   1.903   7.669  -6.345
  109   HG22  VAL  17          HG22      VAL  17   1.254   7.654  -4.705
  110   HG23  VAL  17          HG23      VAL  17   2.381   6.399  -5.220
  111    H    CYS  18           HN       CYS  18   6.322   7.296  -4.047
  112    HA   CYS  18           HA       CYS  18   7.558   9.963  -3.947
  113    HB2  CYS  18           HB2      CYS  18   7.492   7.767  -1.877
  114    HB3  CYS  18           HB1      CYS  18   8.445   9.238  -1.723
  115    H    GLY  19           HN       GLY  19   8.206   6.535  -4.328
  116    HA2  GLY  19           HA2      GLY  19  10.083   5.558  -5.318
  117    HA3  GLY  19           HA1      GLY  19  10.891   7.121  -5.281
  118    H    ASP  20           HN       ASP  20   9.427   6.450  -2.358
  119    HA   ASP  20           HA       ASP  20  11.935   5.432  -1.212
  120    HB2  ASP  20           HB2      ASP  20  10.199   7.683  -0.193
  121    HB3  ASP  20           HB1      ASP  20  11.405   6.879   0.804
  122    H    GLY  21           HN       GLY  21  11.741   4.231   0.712
  123    HA2  GLY  21           HA2      GLY  21   9.002   3.281   1.292
  124    HA3  GLY  21           HA1      GLY  21  10.433   2.261   1.405
  125    H    THR  22           HN       THR  22  10.859   5.468   2.422
  126    HA   THR  22           HA       THR  22  11.328   4.637   5.132
  127    HB   THR  22           HB       THR  22  11.452   7.400   3.912
  128    HG1  THR  22           HG1      THR  22  13.168   5.209   3.881
  129   HG21  THR  22          HG21      THR  22  11.293   7.425   6.360
  130   HG22  THR  22          HG22      THR  22  12.892   7.933   5.820
  131   HG23  THR  22          HG23      THR  22  12.655   6.308   6.460
  132    H    ASP  23           HN       ASP  23   9.954   4.733   6.762
  133    HA   ASP  23           HA       ASP  23   8.041   5.011   7.947
  134    HB2  ASP  23           HB2      ASP  23   9.037   7.308   8.099
  135    HB3  ASP  23           HB1      ASP  23   8.029   7.785   6.738
  136    H    VAL  24           HN       VAL  24   7.638   3.632   5.720
  137    HA   VAL  24           HA       VAL  24   5.351   4.772   4.303
  138    HB   VAL  24           HB       VAL  24   7.411   3.572   3.222
  139   HG11  VAL  24          HG11      VAL  24   7.239   1.545   4.595
  140   HG12  VAL  24          HG12      VAL  24   7.192   1.218   2.866
  141   HG13  VAL  24          HG13      VAL  24   5.704   1.174   3.813
  142   HG21  VAL  24          HG21      VAL  24   4.597   2.967   2.366
  143   HG22  VAL  24          HG22      VAL  24   6.032   2.840   1.349
  144   HG23  VAL  24          HG23      VAL  24   5.530   4.411   1.969
  145    H    LEU  25           HN       LEU  25   3.357   3.557   4.141
  146    HA   LEU  25           HA       LEU  25   2.864   2.059   6.594
  147    HB2  LEU  25           HB2      LEU  25   0.945   3.225   4.581
  148    HB3  LEU  25           HB1      LEU  25   0.468   2.354   6.025
  149    HG   LEU  25           HG       LEU  25   1.974   4.971   5.970
  150   HD11  LEU  25          HD11      LEU  25  -0.084   5.910   6.883
  151   HD12  LEU  25          HD12      LEU  25  -0.869   4.338   6.736
  152   HD13  LEU  25          HD13      LEU  25  -0.349   5.202   5.290
  153   HD21  LEU  25          HD21      LEU  25   2.614   3.623   7.889
  154   HD22  LEU  25          HD22      LEU  25   0.918   3.355   8.289
  155   HD23  LEU  25          HD23      LEU  25   1.604   4.975   8.398
  156    H    ARG  26           HN       ARG  26   1.887   0.069   6.637
  157    HA   ARG  26           HA       ARG  26   2.241  -1.528   4.195
  158    HB2  ARG  26           HB2      ARG  26   2.203  -2.384   7.101
  159    HB3  ARG  26           HB1      ARG  26   2.449  -3.454   5.730
  160    HG2  ARG  26           HG2      ARG  26   4.275  -1.170   6.449
  161    HG3  ARG  26           HG1      ARG  26   4.529  -2.848   6.933
  162    HD2  ARG  26           HD2      ARG  26   4.375  -1.826   4.098
  163    HD3  ARG  26           HD1      ARG  26   5.845  -2.276   4.957
  164    HE   ARG  26           HE       ARG  26   3.964  -4.407   4.926
  165   HH11  ARG  26          HH11      ARG  26   6.386  -2.794   2.991
  166   HH12  ARG  26          HH12      ARG  26   6.675  -4.170   1.977
  167   HH21  ARG  26          HH21      ARG  26   4.343  -6.225   3.616
  168   HH22  ARG  26          HH22      ARG  26   5.506  -6.131   2.330
  169    H    CYS  27           HN       CYS  27   0.612  -3.032   3.619
  170    HA   CYS  27           HA       CYS  27  -2.039  -2.309   4.545
  171    HB2  CYS  27           HB2      CYS  27  -1.409  -2.826   2.102
  172    HB3  CYS  27           HB1      CYS  27  -1.407  -4.530   2.581
  173    H    THR  28           HN       THR  28  -3.383  -3.606   5.756
  174    HA   THR  28           HA       THR  28  -1.964  -5.546   7.367
  175    HB   THR  28           HB       THR  28  -4.192  -5.547   8.660
  176    HG1  THR  28           HG1      THR  28  -4.578  -3.110   7.240
  177   HG21  THR  28          HG21      THR  28  -2.595  -2.993   8.429
  178   HG22  THR  28          HG22      THR  28  -2.153  -4.393   9.405
  179   HG23  THR  28          HG23      THR  28  -3.601  -3.466   9.796
  180    H    HIS  29           HN       HIS  29  -4.024  -5.693   4.656
  181    HA   HIS  29           HA       HIS  29  -4.755  -8.442   5.339
  182    HB2  HIS  29           HB2      HIS  29  -6.741  -7.208   5.030
  183    HB3  HIS  29           HB1      HIS  29  -6.093  -6.340   3.648
  184    HD1  HIS  29           HD1      HIS  29  -7.992  -9.373   4.569
  185    HD2  HIS  29           HD2      HIS  29  -6.002  -7.823   1.283
  186    HE1  HIS  29           HE1      HIS  29  -8.788 -10.736   2.609
  187    HE2  HIS  29           HE2      HIS  29  -7.734  -9.643   0.600
  188    H    CYS  30           HN       CYS  30  -2.926  -6.447   3.202
  189    HA   CYS  30           HA       CYS  30  -1.982  -8.870   1.883
  190    HB2  CYS  30           HB2      CYS  30  -2.215  -8.120  -0.309
  191    HB3  CYS  30           HB1      CYS  30  -3.709  -7.559   0.429
  192    H    ALA  31           HN       ALA  31  -0.061  -7.942   0.320
  193    HA   ALA  31           HA       ALA  31   1.729  -6.633   2.221
  194    HB1  ALA  31           HB1      ALA  31   3.550  -7.638   0.975
  195    HB2  ALA  31           HB2      ALA  31   2.411  -8.270  -0.214
  196    HB3  ALA  31           HB3      ALA  31   2.380  -8.872   1.444
  197    H    ALA  32           HN       ALA  32   2.068  -4.543   1.888
  198    HA   ALA  32           HA       ALA  32   2.661  -3.499  -0.716
  199    HB1  ALA  32           HB1      ALA  32   0.110  -2.605   0.628
  200    HB2  ALA  32           HB2      ALA  32   0.212  -3.573  -0.842
  201    HB3  ALA  32           HB3      ALA  32   0.809  -1.913  -0.834
  202    H    ALA  33           HN       ALA  33   3.638  -1.513  -0.621
  203    HA   ALA  33           HA       ALA  33   3.865  -0.243   2.028
  204    HB1  ALA  33           HB1      ALA  33   6.178   0.367   1.442
  205    HB2  ALA  33           HB2      ALA  33   6.040  -0.589  -0.032
  206    HB3  ALA  33           HB3      ALA  33   5.949  -1.377   1.543
  207    H    PHE  34           HN       PHE  34   2.809   1.595   1.919
  208    HA   PHE  34           HA       PHE  34   3.413   3.523  -0.141
  209    HB2  PHE  34           HB2      PHE  34   1.122   3.811  -0.915
  210    HB3  PHE  34           HB1      PHE  34   1.620   2.146  -1.190
  211    HD1  PHE  34           HD2      PHE  34   0.818   0.361   0.386
  212    HD2  PHE  34           HD1      PHE  34  -0.738   4.323   0.430
  213    HE1  PHE  34           HE2      PHE  34  -1.147  -0.426   1.638
  214    HE2  PHE  34           HE1      PHE  34  -2.704   3.543   1.682
  215    HZ   PHE  34           HZ       PHE  34  -2.910   1.164   2.289
  216    H    HIS  35           HN       HIS  35   3.075   5.599   0.611
  217    HA   HIS  35           HA       HIS  35   2.243   5.977   3.324
  218    HB2  HIS  35           HB2      HIS  35   2.572   8.072   1.160
  219    HB3  HIS  35           HB1      HIS  35   2.496   8.364   2.891
  220    HD2  HIS  35           HD2      HIS  35   4.840   7.852   4.305
  221    HE1  HIS  35           HE1      HIS  35   7.200   7.213   0.845
  222    HE2  HIS  35           HE2      HIS  35   7.231   7.442   3.376
  223    H    TRP  36           HN       TRP  36   0.238   6.787   4.039
  224    HA   TRP  36           HA       TRP  36  -1.999   5.906   2.644
  225    HB2  TRP  36           HB2      TRP  36  -2.011   6.308   5.066
  226    HB3  TRP  36           HB1      TRP  36  -1.872   8.040   4.787
  227    HD1  TRP  36           HD1      TRP  36  -4.091   9.310   4.801
  228    HE1  TRP  36           HE1      TRP  36  -6.571   8.686   4.537
  229    HE3  TRP  36           HE3      TRP  36  -3.565   4.350   3.685
  230    HZ2  TRP  36           HZ2      TRP  36  -8.105   6.400   3.917
  231    HZ3  TRP  36           HZ3      TRP  36  -5.589   3.014   3.265
  232    HH2  TRP  36           HH2      TRP  36  -7.811   4.020   3.380
  233    H    ARG  37           HN       ARG  37  -0.746   9.201   2.979
  234    HA   ARG  37           HA       ARG  37  -2.779  10.477   1.510
  235    HB2  ARG  37           HB2      ARG  37   0.056  11.325   2.087
  236    HB3  ARG  37           HB1      ARG  37  -1.161  12.371   1.375
  237    HG2  ARG  37           HG2      ARG  37  -2.558  11.998   3.412
  238    HG3  ARG  37           HG1      ARG  37  -1.177  11.153   4.120
  239    HD2  ARG  37           HD2      ARG  37  -1.284  13.507   4.820
  240    HD3  ARG  37           HD1      ARG  37   0.184  13.144   3.913
  241    HE   ARG  37           HE       ARG  37  -1.830  14.096   2.168
  242   HH11  ARG  37          HH11      ARG  37   0.406  15.191   4.630
  243   HH12  ARG  37          HH12      ARG  37   0.519  16.799   3.992
  244   HH21  ARG  37          HH21      ARG  37  -1.676  16.208   1.318
  245   HH22  ARG  37          HH22      ARG  37  -0.653  17.376   2.098
  246    H    CYS  38           HN       CYS  38  -0.204   8.559   0.446
  247    HA   CYS  38           HA       CYS  38   0.056   9.819  -2.138
  248    HB2  CYS  38           HB2      CYS  38   1.203   7.208  -1.132
  249    HB3  CYS  38           HB1      CYS  38   1.695   8.074  -2.589
  250    H    HIS  39           HN       HIS  39  -1.866   7.376  -0.676
  251    HA   HIS  39           HA       HIS  39  -2.858   6.540  -3.325
  252    HB2  HIS  39           HB2      HIS  39  -2.788   5.170  -0.666
  253    HB3  HIS  39           HB1      HIS  39  -4.064   4.757  -1.805
  254    HD1  HIS  39           HD1      HIS  39  -3.259   2.423  -2.327
  255    HD2  HIS  39           HD2      HIS  39  -0.345   5.311  -2.963
  256    HE1  HIS  39           HE1      HIS  39  -1.387   1.231  -3.472
  257    HE2  HIS  39           HE2      HIS  39   0.268   3.044  -4.052
  258    H    PHE  40           HN       PHE  40  -3.684   8.134  -0.369
  259    HA   PHE  40           HA       PHE  40  -6.395   8.625  -1.399
  260    HB2  PHE  40           HB2      PHE  40  -5.596   7.859   1.413
  261    HB3  PHE  40           HB1      PHE  40  -7.136   8.620   1.040
  262    HD1  PHE  40           HD1      PHE  40  -5.069   5.614   0.379
  263    HD2  PHE  40           HD2      PHE  40  -8.948   7.360   0.287
  264    HE1  PHE  40           HE1      PHE  40  -6.052   3.402  -0.066
  265    HE2  PHE  40           HE2      PHE  40  -9.934   5.153  -0.159
  266    HZ   PHE  40           HZ       PHE  40  -8.489   3.171  -0.335
  267    HA   PRO  41           HA       PRO  41  -5.317  12.902  -0.694
  268    HB2  PRO  41           HB2      PRO  41  -7.903  13.818  -0.355
  269    HB3  PRO  41           HB1      PRO  41  -7.110  13.600  -1.918
  270    HG2  PRO  41           HG2      PRO  41  -9.028  11.805  -0.498
  271    HG3  PRO  41           HG1      PRO  41  -8.911  12.184  -2.227
  272    HD2  PRO  41           HD2      PRO  41  -7.987   9.874  -1.222
  273    HD3  PRO  41           HD1      PRO  41  -7.166  10.703  -2.560
  274    H    ALA  42           HN       ALA  42  -5.198  14.321   0.999
  275    HA   ALA  42           HA       ALA  42  -4.955  13.128   3.517
  276    HB1  ALA  42           HB1      ALA  42  -4.975  16.065   2.850
  277    HB2  ALA  42           HB2      ALA  42  -3.574  14.997   2.770
  278    HB3  ALA  42           HB3      ALA  42  -4.339  15.335   4.323
  279    H    GLY  43           HN       GLY  43  -7.673  14.668   2.077
  280    HA2  GLY  43           HA2      GLY  43  -9.004  15.397   4.497
  281    HA3  GLY  43           HA1      GLY  43  -9.741  15.252   2.909
  282    H    THR  44           HN       THR  44  -8.602  12.461   2.748
  283    HA   THR  44           HA       THR  44 -10.887  11.129   3.906
  284    HB   THR  44           HB       THR  44  -8.537   9.940   2.410
  285    HG1  THR  44           HG1      THR  44 -10.137  11.641   1.425
  286   HG21  THR  44          HG21      THR  44  -9.836   8.282   3.653
  287   HG22  THR  44          HG22      THR  44 -10.098   8.102   1.918
  288   HG23  THR  44          HG23      THR  44 -11.323   8.882   2.919
  289    H    SER  45           HN       SER  45 -10.818   9.558   5.531
  290    HA   SER  45           HA       SER  45  -8.671  10.000   7.432
  291    HB2  SER  45           HB2      SER  45 -11.167   8.341   7.801
  292    HB3  SER  45           HB1      SER  45 -10.142   9.035   9.058
  293    HG   SER  45           HG       SER  45 -10.755  11.135   8.027
  294    H    ARG  46           HN       ARG  46  -7.117   8.590   7.895
  295    HA   ARG  46           HA       ARG  46  -6.910   6.103   6.491
  296    HB2  ARG  46           HB2      ARG  46  -4.828   5.826   7.845
  297    HB3  ARG  46           HB1      ARG  46  -4.889   7.321   6.931
  298    HG2  ARG  46           HG2      ARG  46  -5.470   8.559   8.925
  299    HG3  ARG  46           HG1      ARG  46  -5.524   7.066   9.862
  300    HD2  ARG  46           HD2      ARG  46  -3.184   6.728   9.605
  301    HD3  ARG  46           HD1      ARG  46  -3.065   8.016   8.410
  302    HE   ARG  46           HE       ARG  46  -3.928   9.394  10.495
  303   HH11  ARG  46          HH11      ARG  46  -1.504   6.865  10.405
  304   HH12  ARG  46          HH12      ARG  46  -0.549   7.565  11.673
  305   HH21  ARG  46          HH21      ARG  46  -2.664  10.321  12.162
  306   HH22  ARG  46          HH22      ARG  46  -1.207   9.525  12.672
  307    HA   PRO  47           HA       PRO  47  -9.298   3.746   9.392
  308    HB2  PRO  47           HB2      PRO  47  -7.842   1.415   8.321
  309    HB3  PRO  47           HB1      PRO  47  -9.575   1.753   8.322
  310    HG2  PRO  47           HG2      PRO  47  -8.115   1.881   6.075
  311    HG3  PRO  47           HG1      PRO  47  -9.472   2.983   6.374
  312    HD2  PRO  47           HD2      PRO  47  -6.532   3.479   6.617
  313    HD3  PRO  47           HD1      PRO  47  -7.813   4.545   6.003
  314    H    GLY  48           HN       GLY  48  -8.934   3.321  11.458
  315    HA2  GLY  48           HA2      GLY  48  -6.203   2.824  12.371
  316    HA3  GLY  48           HA1      GLY  48  -7.590   3.204  13.387
  317    H    THR  49           HN       THR  49  -9.172   1.192  11.821
  318    HA   THR  49           HA       THR  49  -8.430  -1.134  13.392
  319    HB   THR  49           HB       THR  49 -10.585  -2.065  12.407
  320    HG1  THR  49           HG1      THR  49 -11.139  -0.892  10.692
  321   HG21  THR  49          HG21      THR  49 -10.514  -1.126  14.648
  322   HG22  THR  49          HG22      THR  49 -12.021  -0.669  13.851
  323   HG23  THR  49          HG23      THR  49 -10.709   0.500  13.995
  324    H    GLY  50           HN       GLY  50  -6.462  -0.814  11.662
  325    HA2  GLY  50           HA2      GLY  50  -5.352  -2.456  10.336
  326    HA3  GLY  50           HA1      GLY  50  -6.914  -2.955   9.703
  327    H    LEU  51           HN       LEU  51  -4.156  -1.100   9.163
  328    HA   LEU  51           HA       LEU  51  -5.185   0.831   7.364
  329    HB2  LEU  51           HB2      LEU  51  -2.878   0.699   8.525
  330    HB3  LEU  51           HB1      LEU  51  -2.428  -0.378   7.223
  331    HG   LEU  51           HG       LEU  51  -1.676   1.983   6.926
  332   HD11  LEU  51          HD11      LEU  51  -1.878   0.527   4.997
  333   HD12  LEU  51          HD12      LEU  51  -2.340   2.178   4.582
  334   HD13  LEU  51          HD13      LEU  51  -3.582   0.952   4.835
  335   HD21  LEU  51          HD21      LEU  51  -4.608   2.551   6.529
  336   HD22  LEU  51          HD22      LEU  51  -3.277   3.686   6.308
  337   HD23  LEU  51          HD23      LEU  51  -3.648   3.064   7.915
  338    H    ARG  52           HN       ARG  52  -5.948   0.555   5.362
  339    HA   ARG  52           HA       ARG  52  -5.383  -1.990   3.991
  340    HB2  ARG  52           HB2      ARG  52  -7.991  -0.466   4.136
  341    HB3  ARG  52           HB1      ARG  52  -7.706  -1.844   3.082
  342    HG2  ARG  52           HG2      ARG  52  -7.537  -3.332   4.889
  343    HG3  ARG  52           HG1      ARG  52  -7.359  -2.020   6.057
  344    HD2  ARG  52           HD2      ARG  52  -9.574  -2.892   6.256
  345    HD3  ARG  52           HD1      ARG  52  -9.677  -1.306   5.501
  346    HE   ARG  52           HE       ARG  52  -9.580  -3.398   3.568
  347   HH11  ARG  52          HH11      ARG  52 -11.683  -1.742   5.811
  348   HH12  ARG  52          HH12      ARG  52 -13.126  -2.086   4.916
  349   HH21  ARG  52          HH21      ARG  52 -11.484  -3.855   2.371
  350   HH22  ARG  52          HH22      ARG  52 -13.016  -3.293   2.965
  351    H    CYS  53           HN       CYS  53  -4.754  -1.855   1.925
  352    HA   CYS  53           HA       CYS  53  -4.338   0.711   0.716
  353    HB2  CYS  53           HB2      CYS  53  -3.218  -0.452  -1.022
  354    HB3  CYS  53           HB1      CYS  53  -2.844  -1.345   0.445
  355    H    ARG  54           HN       ARG  54  -5.238   1.187  -1.570
  356    HA   ARG  54           HA       ARG  54  -8.003   1.359  -1.198
  357    HB2  ARG  54           HB2      ARG  54  -8.145   2.190  -3.545
  358    HB3  ARG  54           HB1      ARG  54  -6.970   3.030  -2.549
  359    HG2  ARG  54           HG2      ARG  54  -5.162   2.026  -3.649
  360    HG3  ARG  54           HG1      ARG  54  -6.189   0.802  -4.396
  361    HD2  ARG  54           HD2      ARG  54  -5.485   2.547  -5.985
  362    HD3  ARG  54           HD1      ARG  54  -7.233   2.474  -5.793
  363    HE   ARG  54           HE       ARG  54  -6.772   4.424  -4.133
  364   HH11  ARG  54          HH11      ARG  54  -5.105   3.853  -7.163
  365   HH12  ARG  54          HH12      ARG  54  -4.806   5.535  -7.464
  366   HH21  ARG  54          HH21      ARG  54  -6.389   6.640  -4.534
  367   HH22  ARG  54          HH22      ARG  54  -5.535   7.119  -5.969
  368    H    SER  55           HN       SER  55  -6.136  -1.056  -2.889
  369    HA   SER  55           HA       SER  55  -8.269  -2.230  -4.326
  370    HB2  SER  55           HB2      SER  55  -5.851  -2.638  -4.790
  371    HB3  SER  55           HB1      SER  55  -5.760  -3.582  -3.305
  372    HG   SER  55           HG       SER  55  -6.250  -5.145  -4.658
  373    H    CYS  56           HN       CYS  56  -6.868  -2.955  -1.126
  374    HA   CYS  56           HA       CYS  56  -8.666  -5.112  -0.596
  375    HB2  CYS  56           HB2      CYS  56  -6.876  -3.508   1.231
  376    HB3  CYS  56           HB1      CYS  56  -7.841  -4.878   1.771
  377    H    SER  57           HN       SER  57  -8.827  -1.683  -0.242
  378    HA   SER  57           HA       SER  57 -10.944  -1.684   1.698
  379    HB2  SER  57           HB2      SER  57  -9.949   0.517  -0.128
  380    HB3  SER  57           HB1      SER  57 -11.038   0.733   1.243
  381    HG   SER  57           HG       SER  57  -9.385   0.696   2.525
  382    H    GLY  58           HN       GLY  58 -10.908  -2.663  -1.418
  383    HA2  GLY  58           HA2      GLY  58 -12.635  -3.239  -2.828
  384    HA3  GLY  58           HA1      GLY  58 -13.758  -2.568  -1.654
  385    H    ASP  59           HN       ASP  59 -14.983  -1.105  -2.632
  386    HA   ASP  59           HA       ASP  59 -13.825   0.632  -4.657
  387    HB2  ASP  59           HB2      ASP  59 -16.098   1.447  -5.021
  388    HB3  ASP  59           HB1      ASP  59 -16.072  -0.311  -5.057
  389    H    VAL  60           HN       VAL  60 -13.362   2.737  -4.370
  390    HA   VAL  60           HA       VAL  60 -13.424   3.718  -1.625
  391    HB   VAL  60           HB       VAL  60 -12.085   4.922  -4.056
  392   HG11  VAL  60          HG11      VAL  60 -12.536   6.586  -2.358
  393   HG12  VAL  60          HG12      VAL  60 -10.810   6.228  -2.398
  394   HG13  VAL  60          HG13      VAL  60 -11.820   5.557  -1.120
  395   HG21  VAL  60          HG21      VAL  60 -11.138   2.744  -3.520
  396   HG22  VAL  60          HG22      VAL  60 -10.929   3.232  -1.839
  397   HG23  VAL  60          HG23      VAL  60 -10.002   4.030  -3.110
  398    H    THR  61           HN       THR  61 -14.752   5.287  -0.943
  399    HA   THR  61           HA       THR  61 -16.644   6.411  -2.847
  400    HB   THR  61           HB       THR  61 -17.743   7.350  -0.796
  401    HG1  THR  61           HG1      THR  61 -15.740   7.292   0.472
  402   HG21  THR  61          HG21      THR  61 -18.585   5.197   0.022
  403   HG22  THR  61          HG22      THR  61 -17.246   4.370  -0.775
  404   HG23  THR  61          HG23      THR  61 -18.463   5.208  -1.738
  405    HA   PRO  62           HA       PRO  62 -14.035  10.031  -3.360
  406    HB2  PRO  62           HB2      PRO  62 -16.624  11.105  -4.365
  407    HB3  PRO  62           HB1      PRO  62 -15.026  11.131  -5.118
  408    HG2  PRO  62           HG2      PRO  62 -16.895   9.451  -5.983
  409    HG3  PRO  62           HG1      PRO  62 -15.199   8.944  -5.872
  410    HD2  PRO  62           HD2      PRO  62 -17.492   8.300  -4.071
  411    HD3  PRO  62           HD1      PRO  62 -16.135   7.277  -4.583
  412    H    ALA  63           HN       ALA  63 -13.628  11.661  -2.005
  413    HA   ALA  63           HA       ALA  63 -15.333  12.161   0.224
  414    HB1  ALA  63           HB1      ALA  63 -12.868  13.648  -0.679
  415    HB2  ALA  63           HB2      ALA  63 -12.894  12.258   0.405
  416    HB3  ALA  63           HB3      ALA  63 -13.640  13.778   0.902
  417    HA   PRO  64           HA       PRO  64 -17.845  15.263  -1.700
  418    HB2  PRO  64           HB2      PRO  64 -19.016  16.225   0.565
  419    HB3  PRO  64           HB1      PRO  64 -19.490  14.710  -0.208
  420    HG2  PRO  64           HG2      PRO  64 -17.732  15.158   2.168
  421    HG3  PRO  64           HG1      PRO  64 -18.962  13.909   1.900
  422    HD2  PRO  64           HD2      PRO  64 -16.303  13.445   1.623
  423    HD3  PRO  64           HD1      PRO  64 -17.536  12.590   0.676
  424    H    VAL  65           HN       VAL  65 -16.037  16.559  -2.359
  425    HA   VAL  65           HA       VAL  65 -15.269  18.719  -0.537
  426    HB   VAL  65           HB       VAL  65 -13.598  19.321  -2.272
  427   HG11  VAL  65          HG11      VAL  65 -12.968  17.847  -0.448
  428   HG12  VAL  65          HG12      VAL  65 -12.135  17.382  -1.931
  429   HG13  VAL  65          HG13      VAL  65 -13.519  16.446  -1.365
  430   HG21  VAL  65          HG21      VAL  65 -13.171  17.780  -4.124
  431   HG22  VAL  65          HG22      VAL  65 -14.783  18.485  -4.236
  432   HG23  VAL  65          HG23      VAL  65 -14.582  16.829  -3.662
  433    H    GLU  66           HN       GLU  66 -17.830  18.282  -2.268
  434    HA   GLU  66           HA       GLU  66 -18.052  21.089  -3.005
  435    HB2  GLU  66           HB2      GLU  66 -17.349  19.800  -5.054
  436    HB3  GLU  66           HB1      GLU  66 -18.848  18.894  -4.925
  437    HG2  GLU  66           HG2      GLU  66 -19.006  20.688  -6.569
  438    HG3  GLU  66           HG1      GLU  66 -20.139  20.917  -5.236
  Start of MODEL   44
    1    H1   GLY   1           HT1      GLY   1  23.924 -14.308   4.951
    2    H2   GLY   1           HT2      GLY   1  24.158 -15.237   6.343
    3    H3   GLY   1           HT3      GLY   1  25.458 -14.416   5.646
    4    HA2  GLY   1           HA1      GLY   1  23.090 -13.164   6.912
    5    HA3  GLY   1           HA2      GLY   1  24.697 -13.258   7.614
    6    H    ALA   2           HN       ALA   2  26.449 -12.223   6.410
    7    HA   ALA   2           HA       ALA   2  27.411 -10.364   5.547
    8    HB1  ALA   2           HB1      ALA   2  26.752 -11.493   3.479
    9    HB2  ALA   2           HB2      ALA   2  26.730  -9.739   3.303
   10    HB3  ALA   2           HB3      ALA   2  25.218 -10.623   3.499
   11    H    MET   3           HN       MET   3  26.094  -9.584   7.660
   12    HA   MET   3           HA       MET   3  24.697  -7.134   6.812
   13    HB2  MET   3           HB2      MET   3  23.454  -7.194   8.933
   14    HB3  MET   3           HB1      MET   3  23.143  -8.620   7.955
   15    HG2  MET   3           HG2      MET   3  24.684  -9.909   9.335
   16    HG3  MET   3           HG1      MET   3  25.015  -8.478  10.308
   17    HE1  MET   3           HE1      MET   3  22.291 -11.052   9.172
   18    HE2  MET   3           HE2      MET   3  21.483  -9.519   8.841
   19    HE3  MET   3           HE3      MET   3  20.898 -10.566  10.135
   20    H    GLU   4           HN       GLU   4  24.992  -5.286   8.232
   21    HA   GLU   4           HA       GLU   4  27.197  -5.277  10.078
   22    HB2  GLU   4           HB2      GLU   4  28.326  -5.251   7.853
   23    HB3  GLU   4           HB1      GLU   4  27.469  -3.767   7.473
   24    HG2  GLU   4           HG2      GLU   4  28.591  -2.655   9.349
   25    HG3  GLU   4           HG1      GLU   4  29.475  -4.144   9.684
   26    H    GLY   5           HN       GLY   5  24.943  -3.444   8.072
   27    HA2  GLY   5           HA2      GLY   5  23.640  -2.104  10.065
   28    HA3  GLY   5           HA1      GLY   5  25.037  -1.095   9.713
   29    H    GLN   6           HN       GLN   6  22.836   0.184   9.274
   30    HA   GLN   6           HA       GLN   6  21.553   1.302   7.773
   31    HB2  GLN   6           HB2      GLN   6  23.661   0.344   5.825
   32    HB3  GLN   6           HB1      GLN   6  22.487   1.614   5.508
   33    HG2  GLN   6           HG2      GLN   6  23.443   2.966   7.285
   34    HG3  GLN   6           HG1      GLN   6  24.593   1.682   7.653
   35   HE21  GLN   6          HE21      GLN   6  25.053   4.434   6.851
   36   HE22  GLN   6          HE22      GLN   6  26.013   4.362   5.415
   37    H    GLN   7           HN       GLN   7  20.544  -1.092   8.419
   38    HA   GLN   7           HA       GLN   7  19.506  -2.160   5.880
   39    HB2  GLN   7           HB2      GLN   7  19.226  -4.327   7.056
   40    HB3  GLN   7           HB1      GLN   7  20.908  -3.827   6.932
   41    HG2  GLN   7           HG2      GLN   7  20.815  -3.011   9.249
   42    HG3  GLN   7           HG1      GLN   7  19.150  -3.580   9.363
   43   HE21  GLN   7          HE21      GLN   7  19.625  -4.990  11.022
   44   HE22  GLN   7          HE22      GLN   7  20.525  -6.445  10.779
   45    H    ASN   8           HN       ASN   8  18.619  -0.024   7.812
   46    HA   ASN   8           HA       ASN   8  16.400  -0.892   9.292
   47    HB2  ASN   8           HB2      ASN   8  17.472   1.298   9.639
   48    HB3  ASN   8           HB1      ASN   8  16.906   1.829   8.059
   49   HD21  ASN   8          HD21      ASN   8  14.780   2.412   7.787
   50   HD22  ASN   8          HD22      ASN   8  13.685   2.611   9.112
   51    H    LEU   9           HN       LEU   9  16.537   0.652   6.092
   52    HA   LEU   9           HA       LEU   9  13.784   0.200   5.523
   53    HB2  LEU   9           HB2      LEU   9  15.001   1.966   4.398
   54    HB3  LEU   9           HB1      LEU   9  16.133   0.809   3.729
   55    HG   LEU   9           HG       LEU   9  14.215  -0.202   2.451
   56   HD11  LEU   9          HD11      LEU   9  12.795   2.289   3.380
   57   HD12  LEU   9          HD12      LEU   9  12.385   0.629   3.815
   58   HD13  LEU   9          HD13      LEU   9  12.215   1.171   2.146
   59   HD21  LEU   9          HD21      LEU   9  15.816   1.285   1.395
   60   HD22  LEU   9          HD22      LEU   9  14.885   2.687   1.915
   61   HD23  LEU   9          HD23      LEU   9  14.200   1.556   0.749
   62    H    ALA  10           HN       ALA  10  13.073  -1.853   5.526
   63    HA   ALA  10           HA       ALA  10  14.636  -4.080   4.709
   64    HB1  ALA  10           HB1      ALA  10  12.574  -5.365   4.958
   65    HB2  ALA  10           HB2      ALA  10  11.650  -3.869   5.085
   66    HB3  ALA  10           HB3      ALA  10  12.821  -4.291   6.333
   67    HA   PRO  11           HA       PRO  11  13.990  -3.538   0.301
   68    HB2  PRO  11           HB2      PRO  11  15.173  -6.217   0.103
   69    HB3  PRO  11           HB1      PRO  11  15.749  -4.688  -0.563
   70    HG2  PRO  11           HG2      PRO  11  16.988  -5.922   1.488
   71    HG3  PRO  11           HG1      PRO  11  16.941  -4.157   1.329
   72    HD2  PRO  11           HD2      PRO  11  15.331  -5.946   3.105
   73    HD3  PRO  11           HD1      PRO  11  16.023  -4.345   3.438
   74    H    GLY  12           HN       GLY  12  11.845  -3.755  -0.088
   75    HA2  GLY  12           HA2      GLY  12  10.873  -6.328  -0.875
   76    HA3  GLY  12           HA1      GLY  12  10.137  -5.779   0.623
   77    H    ALA  13           HN       ALA  13   9.566  -3.278   0.394
   78    HA   ALA  13           HA       ALA  13   8.515  -2.594  -2.205
   79    HB1  ALA  13           HB1      ALA  13   6.631  -3.114   0.094
   80    HB2  ALA  13           HB2      ALA  13   6.771  -4.082  -1.374
   81    HB3  ALA  13           HB3      ALA  13   6.188  -2.421  -1.466
   82    H    ARG  14           HN       ARG  14   7.614  -0.429  -2.243
   83    HA   ARG  14           HA       ARG  14   7.937   1.255   0.074
   84    HB2  ARG  14           HB2      ARG  14   9.633   2.699  -0.768
   85    HB3  ARG  14           HB1      ARG  14  10.263   1.067  -0.901
   86    HG2  ARG  14           HG2      ARG  14   9.052   2.620  -3.180
   87    HG3  ARG  14           HG1      ARG  14  10.776   2.516  -2.842
   88    HD2  ARG  14           HD2      ARG  14   8.956   0.204  -3.503
   89    HD3  ARG  14           HD1      ARG  14  10.129   0.943  -4.591
   90    HE   ARG  14           HE       ARG  14  11.655   0.222  -2.497
   91   HH11  ARG  14          HH11      ARG  14   9.293  -1.544  -4.384
   92   HH12  ARG  14          HH12      ARG  14  10.078  -3.077  -4.169
   93   HH21  ARG  14          HH21      ARG  14  12.684  -1.790  -2.198
   94   HH22  ARG  14          HH22      ARG  14  12.019  -3.213  -2.938
   95    H    CYS  15           HN       CYS  15   7.354   3.583  -0.538
   96    HA   CYS  15           HA       CYS  15   4.921   3.538  -1.988
   97    HB2  CYS  15           HB2      CYS  15   5.272   5.102  -0.138
   98    HB3  CYS  15           HB1      CYS  15   6.574   5.883  -1.026
   99    H    GLY  16           HN       GLY  16   4.933   3.194  -4.121
  100    HA2  GLY  16           HA2      GLY  16   7.091   3.733  -5.839
  101    HA3  GLY  16           HA1      GLY  16   5.449   3.367  -6.345
  102    H    VAL  17           HN       VAL  17   4.360   5.679  -4.901
  103    HA   VAL  17           HA       VAL  17   4.479   7.564  -7.008
  104    HB   VAL  17           HB       VAL  17   3.477   8.068  -4.201
  105   HG11  VAL  17          HG11      VAL  17   1.991   9.682  -5.270
  106   HG12  VAL  17          HG12      VAL  17   2.690   9.297  -6.843
  107   HG13  VAL  17          HG13      VAL  17   3.681  10.063  -5.601
  108   HG21  VAL  17          HG21      VAL  17   2.017   6.833  -6.534
  109   HG22  VAL  17          HG22      VAL  17   1.273   7.334  -5.017
  110   HG23  VAL  17          HG23      VAL  17   2.459   6.030  -5.028
  111    H    CYS  18           HN       CYS  18   6.219   7.212  -4.008
  112    HA   CYS  18           HA       CYS  18   7.432   9.856  -4.331
  113    HB2  CYS  18           HB2      CYS  18   7.357   7.946  -2.021
  114    HB3  CYS  18           HB1      CYS  18   8.364   9.383  -2.031
  115    H    GLY  19           HN       GLY  19   8.200   6.440  -4.239
  116    HA2  GLY  19           HA2      GLY  19  10.099   5.458  -5.233
  117    HA3  GLY  19           HA1      GLY  19  10.892   7.029  -5.226
  118    H    ASP  20           HN       ASP  20   9.479   6.748  -2.309
  119    HA   ASP  20           HA       ASP  20  11.905   5.620  -1.086
  120    HB2  ASP  20           HB2      ASP  20  10.256   7.992  -0.181
  121    HB3  ASP  20           HB1      ASP  20  11.496   7.225   0.807
  122    H    GLY  21           HN       GLY  21  11.661   4.308   0.661
  123    HA2  GLY  21           HA2      GLY  21   8.917   3.572   1.418
  124    HA3  GLY  21           HA1      GLY  21  10.358   2.604   1.709
  125    H    THR  22           HN       THR  22  10.798   5.893   2.326
  126    HA   THR  22           HA       THR  22  11.273   5.581   5.078
  127    HB   THR  22           HB       THR  22  10.610   8.190   3.706
  128    HG1  THR  22           HG1      THR  22  12.557   8.163   2.789
  129   HG21  THR  22          HG21      THR  22  12.172   9.129   5.339
  130   HG22  THR  22          HG22      THR  22  12.448   7.522   6.011
  131   HG23  THR  22          HG23      THR  22  10.859   8.273   6.149
  132    H    ASP  23           HN       ASP  23   9.858   5.344   6.669
  133    HA   ASP  23           HA       ASP  23   7.919   5.273   7.846
  134    HB2  ASP  23           HB2      ASP  23   7.814   8.042   6.672
  135    HB3  ASP  23           HB1      ASP  23   6.536   7.450   7.727
  136    H    VAL  24           HN       VAL  24   7.662   3.736   5.763
  137    HA   VAL  24           HA       VAL  24   5.383   4.535   4.152
  138    HB   VAL  24           HB       VAL  24   7.465   3.332   3.258
  139   HG11  VAL  24          HG11      VAL  24   7.620   1.576   4.913
  140   HG12  VAL  24          HG12      VAL  24   7.411   0.897   3.299
  141   HG13  VAL  24          HG13      VAL  24   6.047   0.950   4.416
  142   HG21  VAL  24          HG21      VAL  24   6.194   2.176   1.561
  143   HG22  VAL  24          HG22      VAL  24   5.447   3.723   1.961
  144   HG23  VAL  24          HG23      VAL  24   4.761   2.223   2.585
  145    H    LEU  25           HN       LEU  25   3.410   3.452   4.120
  146    HA   LEU  25           HA       LEU  25   2.801   2.004   6.581
  147    HB2  LEU  25           HB2      LEU  25   1.002   3.203   4.469
  148    HB3  LEU  25           HB1      LEU  25   0.430   2.345   5.890
  149    HG   LEU  25           HG       LEU  25   1.933   4.963   5.843
  150   HD11  LEU  25          HD11      LEU  25  -0.130   5.852   6.805
  151   HD12  LEU  25          HD12      LEU  25  -0.877   4.261   6.672
  152   HD13  LEU  25          HD13      LEU  25  -0.410   5.139   5.217
  153   HD21  LEU  25          HD21      LEU  25   1.600   4.969   8.283
  154   HD22  LEU  25          HD22      LEU  25   2.662   3.664   7.753
  155   HD23  LEU  25          HD23      LEU  25   0.988   3.318   8.188
  156    H    ARG  26           HN       ARG  26   1.876  -0.006   6.608
  157    HA   ARG  26           HA       ARG  26   2.265  -1.585   4.154
  158    HB2  ARG  26           HB2      ARG  26   2.117  -2.537   7.023
  159    HB3  ARG  26           HB1      ARG  26   2.529  -3.510   5.621
  160    HG2  ARG  26           HG2      ARG  26   4.145  -1.192   6.650
  161    HG3  ARG  26           HG1      ARG  26   4.480  -2.892   6.979
  162    HD2  ARG  26           HD2      ARG  26   4.815  -3.305   4.610
  163    HD3  ARG  26           HD1      ARG  26   4.406  -1.630   4.239
  164    HE   ARG  26           HE       ARG  26   6.458  -1.376   5.971
  165   HH11  ARG  26          HH11      ARG  26   6.058  -3.239   3.038
  166   HH12  ARG  26          HH12      ARG  26   7.736  -3.160   2.612
  167   HH21  ARG  26          HH21      ARG  26   8.668  -1.269   5.411
  168   HH22  ARG  26          HH22      ARG  26   9.219  -2.044   3.959
  169    H    CYS  27           HN       CYS  27   0.623  -2.995   3.469
  170    HA   CYS  27           HA       CYS  27  -2.023  -2.332   4.413
  171    HB2  CYS  27           HB2      CYS  27  -1.348  -2.877   1.962
  172    HB3  CYS  27           HB1      CYS  27  -1.445  -4.569   2.463
  173    H    THR  28           HN       THR  28  -3.348  -3.602   5.638
  174    HA   THR  28           HA       THR  28  -1.991  -5.703   7.128
  175    HB   THR  28           HB       THR  28  -4.122  -5.557   8.549
  176    HG1  THR  28           HG1      THR  28  -4.404  -3.079   7.167
  177   HG21  THR  28          HG21      THR  28  -1.994  -4.583   9.246
  178   HG22  THR  28          HG22      THR  28  -3.332  -3.518   9.680
  179   HG23  THR  28          HG23      THR  28  -2.324  -3.142   8.283
  180    H    HIS  29           HN       HIS  29  -4.200  -5.456   4.573
  181    HA   HIS  29           HA       HIS  29  -5.259  -8.143   5.093
  182    HB2  HIS  29           HB2      HIS  29  -6.314  -5.780   3.766
  183    HB3  HIS  29           HB1      HIS  29  -6.499  -7.234   2.793
  184    HD1  HIS  29           HD1      HIS  29  -9.025  -7.413   3.104
  185    HD2  HIS  29           HD2      HIS  29  -6.916  -7.382   6.686
  186    HE1  HIS  29           HE1      HIS  29 -10.692  -8.039   4.874
  187    HE2  HIS  29           HE2      HIS  29  -9.352  -8.190   7.001
  188    H    CYS  30           HN       CYS  30  -3.011  -6.455   3.165
  189    HA   CYS  30           HA       CYS  30  -2.266  -8.949   1.902
  190    HB2  CYS  30           HB2      CYS  30  -2.401  -8.257  -0.335
  191    HB3  CYS  30           HB1      CYS  30  -3.900  -7.656   0.361
  192    H    ALA  31           HN       ALA  31  -0.331  -7.964   0.187
  193    HA   ALA  31           HA       ALA  31   1.521  -6.735   2.090
  194    HB1  ALA  31           HB1      ALA  31   3.312  -7.718   0.759
  195    HB2  ALA  31           HB2      ALA  31   2.124  -8.360  -0.376
  196    HB3  ALA  31           HB3      ALA  31   2.167  -8.953   1.286
  197    H    ALA  32           HN       ALA  32   1.831  -4.635   1.794
  198    HA   ALA  32           HA       ALA  32   2.483  -3.580  -0.800
  199    HB1  ALA  32           HB1      ALA  32   0.706  -1.954  -0.950
  200    HB2  ALA  32           HB2      ALA  32   0.009  -2.525   0.564
  201    HB3  ALA  32           HB3      ALA  32   0.004  -3.570  -0.855
  202    H    ALA  33           HN       ALA  33   3.363  -1.486  -0.703
  203    HA   ALA  33           HA       ALA  33   3.670  -0.284   1.963
  204    HB1  ALA  33           HB1      ALA  33   6.017   0.170   1.525
  205    HB2  ALA  33           HB2      ALA  33   5.907  -0.665  -0.024
  206    HB3  ALA  33           HB3      ALA  33   5.702  -1.563   1.481
  207    H    PHE  34           HN       PHE  34   2.760   1.625   1.842
  208    HA   PHE  34           HA       PHE  34   3.447   3.471  -0.275
  209    HB2  PHE  34           HB2      PHE  34   1.101   3.925  -0.895
  210    HB3  PHE  34           HB1      PHE  34   1.563   2.272  -1.286
  211    HD1  PHE  34           HD2      PHE  34   0.747   0.399   0.116
  212    HD2  PHE  34           HD1      PHE  34  -0.634   4.389   0.653
  213    HE1  PHE  34           HE2      PHE  34  -1.185  -0.443   1.381
  214    HE2  PHE  34           HE1      PHE  34  -2.570   3.551   1.918
  215    HZ   PHE  34           HZ       PHE  34  -2.846   1.133   2.283
  216    H    HIS  35           HN       HIS  35   2.626   5.661   0.220
  217    HA   HIS  35           HA       HIS  35   2.197   6.031   3.087
  218    HB2  HIS  35           HB2      HIS  35   2.559   8.121   0.927
  219    HB3  HIS  35           HB1      HIS  35   2.474   8.430   2.653
  220    HD2  HIS  35           HD2      HIS  35   4.677   6.239   3.657
  221    HE1  HIS  35           HE1      HIS  35   7.220   8.291   0.959
  222    HE2  HIS  35           HE2      HIS  35   7.121   6.942   3.118
  223    H    TRP  36           HN       TRP  36   0.298   6.844   3.923
  224    HA   TRP  36           HA       TRP  36  -2.076   6.142   2.741
  225    HB2  TRP  36           HB2      TRP  36  -1.717   6.722   5.144
  226    HB3  TRP  36           HB1      TRP  36  -1.729   8.422   4.693
  227    HD1  TRP  36           HD1      TRP  36  -3.989   9.537   5.044
  228    HE1  TRP  36           HE1      TRP  36  -6.438   8.766   5.120
  229    HE3  TRP  36           HE3      TRP  36  -3.319   4.591   3.938
  230    HZ2  TRP  36           HZ2      TRP  36  -7.899   6.378   4.737
  231    HZ3  TRP  36           HZ3      TRP  36  -5.296   3.133   3.810
  232    HH2  TRP  36           HH2      TRP  36  -7.538   4.010   4.202
  233    H    ARG  37           HN       ARG  37  -0.679   9.412   2.825
  234    HA   ARG  37           HA       ARG  37  -2.836  10.612   1.406
  235    HB2  ARG  37           HB2      ARG  37  -0.038  11.649   1.870
  236    HB3  ARG  37           HB1      ARG  37  -1.425  12.604   1.369
  237    HG2  ARG  37           HG2      ARG  37  -2.512  12.242   3.476
  238    HG3  ARG  37           HG1      ARG  37  -1.250  11.111   3.974
  239    HD2  ARG  37           HD2      ARG  37  -0.863  14.047   3.395
  240    HD3  ARG  37           HD1      ARG  37  -0.934  13.314   4.995
  241    HE   ARG  37           HE       ARG  37   1.059  11.981   3.635
  242   HH11  ARG  37          HH11      ARG  37   0.440  15.276   4.643
  243   HH12  ARG  37          HH12      ARG  37   2.122  15.683   4.779
  244   HH21  ARG  37          HH21      ARG  37   3.270  12.515   3.809
  245   HH22  ARG  37          HH22      ARG  37   3.732  14.114   4.298
  246    H    CYS  38           HN       CYS  38  -0.309   8.695   0.318
  247    HA   CYS  38           HA       CYS  38  -0.063  10.042  -2.250
  248    HB2  CYS  38           HB2      CYS  38   1.279   7.532  -1.226
  249    HB3  CYS  38           HB1      CYS  38   1.668   8.371  -2.727
  250    H    HIS  39           HN       HIS  39  -1.790   7.467  -0.791
  251    HA   HIS  39           HA       HIS  39  -2.668   6.493  -3.431
  252    HB2  HIS  39           HB2      HIS  39  -2.453   5.207  -0.751
  253    HB3  HIS  39           HB1      HIS  39  -3.759   4.684  -1.806
  254    HD1  HIS  39           HD1      HIS  39  -2.842   2.385  -2.256
  255    HD2  HIS  39           HD2      HIS  39  -0.156   5.401  -3.221
  256    HE1  HIS  39           HE1      HIS  39  -0.967   1.241  -3.453
  257    HE2  HIS  39           HE2      HIS  39   0.559   3.108  -4.198
  258    H    PHE  40           HN       PHE  40  -3.784   7.685  -0.312
  259    HA   PHE  40           HA       PHE  40  -6.527   7.843  -1.377
  260    HB2  PHE  40           HB2      PHE  40  -5.542   7.530   1.469
  261    HB3  PHE  40           HB1      PHE  40  -7.223   7.820   1.035
  262    HD1  PHE  40           HD1      PHE  40  -4.442   5.406   0.789
  263    HD2  PHE  40           HD2      PHE  40  -8.611   6.071   0.274
  264    HE1  PHE  40           HE1      PHE  40  -4.791   2.987   0.528
  265    HE2  PHE  40           HE2      PHE  40  -8.968   3.650   0.014
  266    HZ   PHE  40           HZ       PHE  40  -7.056   2.106   0.140
  267    HA   PRO  41           HA       PRO  41  -6.339  12.255  -0.979
  268    HB2  PRO  41           HB2      PRO  41  -8.962  12.788  -0.500
  269    HB3  PRO  41           HB1      PRO  41  -8.343  12.351  -2.095
  270    HG2  PRO  41           HG2      PRO  41  -9.704  10.636  -0.056
  271    HG3  PRO  41           HG1      PRO  41  -9.951  10.696  -1.811
  272    HD2  PRO  41           HD2      PRO  41  -8.467   8.776  -0.641
  273    HD3  PRO  41           HD1      PRO  41  -8.074   9.423  -2.246
  274    H    ALA  42           HN       ALA  42  -6.499  13.919   0.520
  275    HA   ALA  42           HA       ALA  42  -5.866  13.142   3.162
  276    HB1  ALA  42           HB1      ALA  42  -6.475  15.905   2.124
  277    HB2  ALA  42           HB2      ALA  42  -4.902  15.111   2.058
  278    HB3  ALA  42           HB3      ALA  42  -5.624  15.508   3.616
  279    H    GLY  43           HN       GLY  43  -8.858  13.741   1.678
  280    HA2  GLY  43           HA2      GLY  43 -10.289  14.575   4.021
  281    HA3  GLY  43           HA1      GLY  43 -10.994  13.999   2.516
  282    H    THR  44           HN       THR  44  -8.902  11.664   3.139
  283    HA   THR  44           HA       THR  44 -10.859  10.081   4.648
  284    HB   THR  44           HB       THR  44  -8.454   9.030   3.154
  285    HG1  THR  44           HG1      THR  44 -10.307  10.309   1.996
  286   HG21  THR  44          HG21      THR  44  -9.698   6.944   3.130
  287   HG22  THR  44          HG22      THR  44 -11.072   7.726   3.912
  288   HG23  THR  44          HG23      THR  44  -9.556   7.527   4.789
  289    H    SER  45           HN       SER  45 -10.409   9.413   6.672
  290    HA   SER  45           HA       SER  45  -7.885  10.233   7.844
  291    HB2  SER  45           HB2      SER  45 -10.305   8.945   9.136
  292    HB3  SER  45           HB1      SER  45  -8.939   9.672   9.983
  293    HG   SER  45           HG       SER  45 -10.245  11.269   8.113
  294    H    ARG  46           HN       ARG  46  -6.278   8.906   8.399
  295    HA   ARG  46           HA       ARG  46  -6.254   6.302   7.249
  296    HB2  ARG  46           HB2      ARG  46  -3.948   6.194   8.253
  297    HB3  ARG  46           HB1      ARG  46  -4.230   7.529   7.157
  298    HG2  ARG  46           HG2      ARG  46  -4.460   9.063   8.993
  299    HG3  ARG  46           HG1      ARG  46  -4.336   7.742  10.156
  300    HD2  ARG  46           HD2      ARG  46  -2.179   8.478   8.186
  301    HD3  ARG  46           HD1      ARG  46  -2.237   9.063   9.847
  302    HE   ARG  46           HE       ARG  46  -2.395   6.295   9.955
  303   HH11  ARG  46          HH11      ARG  46  -0.090   8.715   8.898
  304   HH12  ARG  46          HH12      ARG  46   1.293   7.728   9.244
  305   HH21  ARG  46          HH21      ARG  46  -0.580   5.002  10.421
  306   HH22  ARG  46          HH22      ARG  46   1.016   5.621  10.124
  307    HA   PRO  47           HA       PRO  47  -7.990   4.304  10.818
  308    HB2  PRO  47           HB2      PRO  47  -7.917   1.778   9.825
  309    HB3  PRO  47           HB1      PRO  47  -9.125   2.969   9.334
  310    HG2  PRO  47           HG2      PRO  47  -6.618   2.132   7.940
  311    HG3  PRO  47           HG1      PRO  47  -8.225   2.442   7.260
  312    HD2  PRO  47           HD2      PRO  47  -6.198   4.244   7.137
  313    HD3  PRO  47           HD1      PRO  47  -7.906   4.719   7.224
  314    H    GLY  48           HN       GLY  48  -7.051   3.633  12.625
  315    HA2  GLY  48           HA2      GLY  48  -4.262   2.831  12.596
  316    HA3  GLY  48           HA1      GLY  48  -5.257   3.119  14.018
  317    H    THR  49           HN       THR  49  -7.344   1.338  12.759
  318    HA   THR  49           HA       THR  49  -6.146  -1.151  13.752
  319    HB   THR  49           HB       THR  49  -9.094  -0.895  13.461
  320    HG1  THR  49           HG1      THR  49  -7.485   0.591  15.276
  321   HG21  THR  49          HG21      THR  49  -9.044  -2.142  15.559
  322   HG22  THR  49          HG22      THR  49  -7.292  -1.951  15.639
  323   HG23  THR  49          HG23      THR  49  -8.015  -2.920  14.354
  324    H    GLY  50           HN       GLY  50  -5.311  -0.970  11.338
  325    HA2  GLY  50           HA2      GLY  50  -5.515  -2.850   9.739
  326    HA3  GLY  50           HA1      GLY  50  -7.236  -2.491   9.691
  327    H    LEU  51           HN       LEU  51  -4.043  -1.265   8.861
  328    HA   LEU  51           HA       LEU  51  -5.047   0.841   7.188
  329    HB2  LEU  51           HB2      LEU  51  -2.725   0.552   8.389
  330    HB3  LEU  51           HB1      LEU  51  -2.298  -0.337   6.944
  331    HG   LEU  51           HG       LEU  51  -1.545   2.022   6.919
  332   HD11  LEU  51          HD11      LEU  51  -3.595   1.356   4.817
  333   HD12  LEU  51          HD12      LEU  51  -1.906   0.844   4.820
  334   HD13  LEU  51          HD13      LEU  51  -2.310   2.555   4.672
  335   HD21  LEU  51          HD21      LEU  51  -3.135   3.818   6.663
  336   HD22  LEU  51          HD22      LEU  51  -3.450   2.958   8.169
  337   HD23  LEU  51          HD23      LEU  51  -4.481   2.686   6.765
  338    H    ARG  52           HN       ARG  52  -5.631   0.699   5.070
  339    HA   ARG  52           HA       ARG  52  -5.172  -1.882   3.728
  340    HB2  ARG  52           HB2      ARG  52  -7.689  -0.215   3.754
  341    HB3  ARG  52           HB1      ARG  52  -7.425  -1.581   2.679
  342    HG2  ARG  52           HG2      ARG  52  -7.150  -3.026   4.670
  343    HG3  ARG  52           HG1      ARG  52  -7.572  -1.641   5.680
  344    HD2  ARG  52           HD2      ARG  52  -9.740  -1.482   4.578
  345    HD3  ARG  52           HD1      ARG  52  -9.319  -2.837   3.530
  346    HE   ARG  52           HE       ARG  52  -9.256  -3.304   6.403
  347   HH11  ARG  52          HH11      ARG  52 -10.931  -3.731   3.357
  348   HH12  ARG  52          HH12      ARG  52 -11.973  -4.974   3.967
  349   HH21  ARG  52          HH21      ARG  52 -10.612  -4.935   7.201
  350   HH22  ARG  52          HH22      ARG  52 -11.807  -5.648   6.164
  351    H    CYS  53           HN       CYS  53  -4.738  -1.862   1.584
  352    HA   CYS  53           HA       CYS  53  -4.123   0.644   0.289
  353    HB2  CYS  53           HB2      CYS  53  -3.214  -0.689  -1.481
  354    HB3  CYS  53           HB1      CYS  53  -2.770  -1.489   0.025
  355    H    ARG  54           HN       ARG  54  -4.965   0.464  -2.292
  356    HA   ARG  54           HA       ARG  54  -7.654   1.260  -1.970
  357    HB2  ARG  54           HB2      ARG  54  -7.739   1.616  -4.353
  358    HB3  ARG  54           HB1      ARG  54  -6.197   2.184  -3.734
  359    HG2  ARG  54           HG2      ARG  54  -5.039   0.359  -4.666
  360    HG3  ARG  54           HG1      ARG  54  -6.530  -0.519  -4.994
  361    HD2  ARG  54           HD2      ARG  54  -5.608   0.435  -7.035
  362    HD3  ARG  54           HD1      ARG  54  -7.161   1.168  -6.642
  363    HE   ARG  54           HE       ARG  54  -5.130   2.760  -5.550
  364   HH11  ARG  54          HH11      ARG  54  -6.384   1.819  -8.677
  365   HH12  ARG  54          HH12      ARG  54  -5.884   3.282  -9.462
  366   HH21  ARG  54          HH21      ARG  54  -4.458   4.681  -6.575
  367   HH22  ARG  54          HH22      ARG  54  -4.788   4.920  -8.262
  368    H    SER  55           HN       SER  55  -6.238  -1.739  -3.201
  369    HA   SER  55           HA       SER  55  -8.671  -2.745  -4.255
  370    HB2  SER  55           HB2      SER  55  -6.397  -3.502  -4.959
  371    HB3  SER  55           HB1      SER  55  -6.242  -4.329  -3.411
  372    HG   SER  55           HG       SER  55  -8.362  -4.795  -5.245
  373    H    CYS  56           HN       CYS  56  -7.022  -3.185  -1.165
  374    HA   CYS  56           HA       CYS  56  -8.901  -5.087  -0.185
  375    HB2  CYS  56           HB2      CYS  56  -6.876  -3.391   1.278
  376    HB3  CYS  56           HB1      CYS  56  -7.820  -4.681   2.017
  377    H    SER  57           HN       SER  57  -8.985  -1.706  -0.532
  378    HA   SER  57           HA       SER  57 -11.085  -1.394   1.478
  379    HB2  SER  57           HB2      SER  57  -9.895   0.707  -0.348
  380    HB3  SER  57           HB1      SER  57 -10.883   0.981   1.086
  381    HG   SER  57           HG       SER  57  -8.206   0.148   0.886
  382    H    GLY  58           HN       GLY  58 -10.729  -2.125  -1.783
  383    HA2  GLY  58           HA2      GLY  58 -12.726  -2.717  -3.047
  384    HA3  GLY  58           HA1      GLY  58 -13.499  -1.293  -2.358
  385    H    ASP  59           HN       ASP  59 -11.204  -2.466  -4.714
  386    HA   ASP  59           HA       ASP  59 -10.663   0.216  -5.690
  387    HB2  ASP  59           HB2      ASP  59  -9.098  -0.836  -7.241
  388    HB3  ASP  59           HB1      ASP  59  -8.808  -1.405  -5.603
  389    H    VAL  60           HN       VAL  60 -12.994  -2.056  -6.116
  390    HA   VAL  60           HA       VAL  60 -13.553  -1.395  -8.896
  391    HB   VAL  60           HB       VAL  60 -15.217  -3.069  -7.001
  392   HG11  VAL  60          HG11      VAL  60 -16.456  -2.228  -8.925
  393   HG12  VAL  60          HG12      VAL  60 -16.214  -3.971  -9.048
  394   HG13  VAL  60          HG13      VAL  60 -15.225  -2.873 -10.010
  395   HG21  VAL  60          HG21      VAL  60 -13.132  -3.941  -8.996
  396   HG22  VAL  60          HG22      VAL  60 -14.205  -5.016  -8.101
  397   HG23  VAL  60          HG23      VAL  60 -13.007  -4.049  -7.241
  398    H    THR  61           HN       THR  61 -13.771   0.860  -8.471
  399    HA   THR  61           HA       THR  61 -15.537   2.012  -6.642
  400    HB   THR  61           HB       THR  61 -14.799   3.205  -9.315
  401    HG1  THR  61           HG1      THR  61 -13.288   3.052  -6.895
  402   HG21  THR  61          HG21      THR  61 -15.348   4.438  -6.611
  403   HG22  THR  61          HG22      THR  61 -16.433   4.469  -8.002
  404   HG23  THR  61          HG23      THR  61 -14.890   5.320  -8.068
  405    HA   PRO  62           HA       PRO  62 -19.347   0.746  -8.627
  406    HB2  PRO  62           HB2      PRO  62 -21.018   1.978  -6.858
  407    HB3  PRO  62           HB1      PRO  62 -20.234   0.427  -6.539
  408    HG2  PRO  62           HG2      PRO  62 -19.475   3.163  -5.608
  409    HG3  PRO  62           HG1      PRO  62 -19.452   1.629  -4.719
  410    HD2  PRO  62           HD2      PRO  62 -17.218   2.755  -5.768
  411    HD3  PRO  62           HD1      PRO  62 -17.426   1.000  -5.610
  412    H    ALA  63           HN       ALA  63 -20.484   1.675 -10.217
  413    HA   ALA  63           HA       ALA  63 -20.149   4.471 -10.782
  414    HB1  ALA  63           HB1      ALA  63 -21.839   2.388 -12.159
  415    HB2  ALA  63           HB2      ALA  63 -20.186   2.826 -12.584
  416    HB3  ALA  63           HB3      ALA  63 -21.485   4.000 -12.776
  417    HA   PRO  64           HA       PRO  64 -23.649   5.950  -8.438
  418    HB2  PRO  64           HB2      PRO  64 -23.679   8.014 -10.578
  419    HB3  PRO  64           HB1      PRO  64 -23.651   8.214  -8.825
  420    HG2  PRO  64           HG2      PRO  64 -21.461   8.650 -10.275
  421    HG3  PRO  64           HG1      PRO  64 -21.362   7.864  -8.687
  422    HD2  PRO  64           HD2      PRO  64 -21.176   6.663 -11.415
  423    HD3  PRO  64           HD1      PRO  64 -20.299   6.240  -9.930
  424    H    VAL  65           HN       VAL  65 -25.355   4.628  -8.747
  425    HA   VAL  65           HA       VAL  65 -26.634   4.513 -11.369
  426    HB   VAL  65           HB       VAL  65 -26.122   2.402 -10.153
  427   HG11  VAL  65          HG11      VAL  65 -27.493   1.731  -8.253
  428   HG12  VAL  65          HG12      VAL  65 -28.243   3.325  -8.227
  429   HG13  VAL  65          HG13      VAL  65 -26.525   3.157  -7.877
  430   HG21  VAL  65          HG21      VAL  65 -27.847   2.411 -11.845
  431   HG22  VAL  65          HG22      VAL  65 -29.043   2.933 -10.658
  432   HG23  VAL  65          HG23      VAL  65 -28.305   1.337 -10.523
  433    H    GLU  66           HN       GLU  66 -28.881   4.909 -11.626
  434    HA   GLU  66           HA       GLU  66 -29.934   6.825  -9.676
  435    HB2  GLU  66           HB2      GLU  66 -29.723   7.539 -12.050
  436    HB3  GLU  66           HB1      GLU  66 -30.845   6.266 -12.505
  437    HG2  GLU  66           HG2      GLU  66 -32.609   7.308 -11.237
  438    HG3  GLU  66           HG1      GLU  66 -31.494   8.538 -10.639
  Start of MODEL   45
    1    H1   GLY   1           HT1      GLY   1   3.534 -17.057 -24.018
    2    H2   GLY   1           HT2      GLY   1   3.031 -16.409 -22.541
    3    H3   GLY   1           HT3      GLY   1   3.398 -18.055 -22.659
    4    HA2  GLY   1           HA1      GLY   1   5.180 -16.886 -21.560
    5    HA3  GLY   1           HA2      GLY   1   5.709 -17.545 -23.101
    6    H    ALA   2           HN       ALA   2   7.405 -15.989 -23.091
    7    HA   ALA   2           HA       ALA   2   8.421 -14.079 -23.756
    8    HB1  ALA   2           HB1      ALA   2   7.348 -12.758 -25.491
    9    HB2  ALA   2           HB2      ALA   2   5.797 -13.516 -25.135
   10    HB3  ALA   2           HB3      ALA   2   7.118 -14.480 -25.796
   11    H    MET   3           HN       MET   3   7.598 -13.937 -21.218
   12    HA   MET   3           HA       MET   3   6.133 -11.455 -20.813
   13    HB2  MET   3           HB2      MET   3   5.723 -13.433 -19.361
   14    HB3  MET   3           HB1      MET   3   7.378 -13.327 -18.787
   15    HG2  MET   3           HG2      MET   3   6.897 -11.102 -17.868
   16    HG3  MET   3           HG1      MET   3   5.227 -11.258 -18.408
   17    HE1  MET   3           HE1      MET   3   8.018 -12.698 -16.092
   18    HE2  MET   3           HE2      MET   3   7.473 -14.161 -16.913
   19    HE3  MET   3           HE3      MET   3   7.159 -13.945 -15.192
   20    H    GLU   4           HN       GLU   4   8.011 -10.472 -22.105
   21    HA   GLU   4           HA       GLU   4  10.439 -10.077 -20.567
   22    HB2  GLU   4           HB2      GLU   4   9.662  -8.996 -23.280
   23    HB3  GLU   4           HB1      GLU   4  11.254  -8.882 -22.546
   24    HG2  GLU   4           HG2      GLU   4   9.855 -11.418 -23.366
   25    HG3  GLU   4           HG1      GLU   4  11.178 -10.633 -24.224
   26    H    GLY   5           HN       GLY   5  11.030  -8.229 -19.562
   27    HA2  GLY   5           HA2      GLY   5  10.986  -5.815 -19.424
   28    HA3  GLY   5           HA1      GLY   5   9.294  -5.871 -19.892
   29    H    GLN   6           HN       GLN   6   7.925  -7.259 -18.312
   30    HA   GLN   6           HA       GLN   6   6.920  -7.310 -16.279
   31    HB2  GLN   6           HB2      GLN   6   9.794  -7.471 -15.354
   32    HB3  GLN   6           HB1      GLN   6   8.405  -7.724 -14.305
   33    HG2  GLN   6           HG2      GLN   6   7.738  -9.655 -15.549
   34    HG3  GLN   6           HG1      GLN   6   8.971  -9.351 -16.770
   35   HE21  GLN   6          HE21      GLN   6   9.577  -8.923 -13.360
   36   HE22  GLN   6          HE22      GLN   6  10.647 -10.271 -13.187
   37    H    GLN   7           HN       GLN   7   7.231  -4.776 -17.407
   38    HA   GLN   7           HA       GLN   7   8.222  -2.958 -15.397
   39    HB2  GLN   7           HB2      GLN   7   7.404  -1.190 -16.960
   40    HB3  GLN   7           HB1      GLN   7   8.547  -2.314 -17.679
   41    HG2  GLN   7           HG2      GLN   7   6.723  -3.502 -18.760
   42    HG3  GLN   7           HG1      GLN   7   5.558  -2.410 -18.015
   43   HE21  GLN   7          HE21      GLN   7   6.141  -2.973 -20.831
   44   HE22  GLN   7          HE22      GLN   7   6.509  -1.444 -21.548
   45    H    ASN   8           HN       ASN   8   5.466  -4.712 -15.652
   46    HA   ASN   8           HA       ASN   8   3.829  -2.696 -14.282
   47    HB2  ASN   8           HB2      ASN   8   1.931  -4.162 -14.651
   48    HB3  ASN   8           HB1      ASN   8   2.777  -3.924 -16.175
   49   HD21  ASN   8          HD21      ASN   8   3.877  -5.644 -17.104
   50   HD22  ASN   8          HD22      ASN   8   3.646  -7.278 -16.585
   51    H    LEU   9           HN       LEU   9   6.108  -4.812 -13.509
   52    HA   LEU   9           HA       LEU   9   4.799  -6.055 -11.226
   53    HB2  LEU   9           HB2      LEU   9   6.386  -7.357 -12.593
   54    HB3  LEU   9           HB1      LEU   9   7.658  -6.220 -12.194
   55    HG   LEU   9           HG       LEU   9   7.422  -6.872  -9.796
   56   HD11  LEU   9          HD11      LEU   9   5.626  -9.025 -10.908
   57   HD12  LEU   9          HD12      LEU   9   5.117  -7.684  -9.885
   58   HD13  LEU   9          HD13      LEU   9   6.209  -8.912  -9.248
   59   HD21  LEU   9          HD21      LEU   9   9.147  -7.848 -11.225
   60   HD22  LEU   9          HD22      LEU   9   8.027  -9.121 -11.712
   61   HD23  LEU   9          HD23      LEU   9   8.563  -9.012 -10.036
   62    H    ALA  10           HN       ALA  10   5.016  -5.390  -9.168
   63    HA   ALA  10           HA       ALA  10   6.217  -2.817  -8.679
   64    HB1  ALA  10           HB1      ALA  10   4.882  -4.722  -6.757
   65    HB2  ALA  10           HB2      ALA  10   4.067  -3.447  -7.663
   66    HB3  ALA  10           HB3      ALA  10   5.276  -3.031  -6.447
   67    HA   PRO  11           HA       PRO  11  10.112  -4.378  -7.154
   68    HB2  PRO  11           HB2      PRO  11  10.328  -1.980  -5.499
   69    HB3  PRO  11           HB1      PRO  11  11.290  -2.457  -6.898
   70    HG2  PRO  11           HG2      PRO  11   9.552  -0.391  -6.971
   71    HG3  PRO  11           HG1      PRO  11   9.891  -1.405  -8.387
   72    HD2  PRO  11           HD2      PRO  11   7.558  -1.486  -6.508
   73    HD3  PRO  11           HD1      PRO  11   7.589  -1.638  -8.278
   74    H    GLY  12           HN       GLY  12   8.103  -5.619  -5.836
   75    HA2  GLY  12           HA2      GLY  12   7.855  -6.816  -3.864
   76    HA3  GLY  12           HA1      GLY  12   9.133  -5.843  -3.149
   77    H    ALA  13           HN       ALA  13   8.622  -3.806  -2.265
   78    HA   ALA  13           HA       ALA  13   5.832  -3.032  -2.060
   79    HB1  ALA  13           HB1      ALA  13   5.807  -3.039   0.378
   80    HB2  ALA  13           HB2      ALA  13   7.429  -3.728   0.404
   81    HB3  ALA  13           HB3      ALA  13   6.085  -4.665  -0.246
   82    H    ARG  14           HN       ARG  14   5.996  -0.970  -2.666
   83    HA   ARG  14           HA       ARG  14   7.617   0.897  -1.205
   84    HB2  ARG  14           HB2      ARG  14   9.233  -0.151  -2.818
   85    HB3  ARG  14           HB1      ARG  14   8.235   0.445  -4.134
   86    HG2  ARG  14           HG2      ARG  14   8.675   2.734  -3.466
   87    HG3  ARG  14           HG1      ARG  14   9.623   2.164  -2.088
   88    HD2  ARG  14           HD2      ARG  14  10.244   1.720  -5.007
   89    HD3  ARG  14           HD1      ARG  14  11.100   2.797  -3.903
   90    HE   ARG  14           HE       ARG  14  11.314   0.410  -2.677
   91   HH11  ARG  14          HH11      ARG  14  12.030   1.482  -5.928
   92   HH12  ARG  14          HH12      ARG  14  13.231   0.261  -6.197
   93   HH21  ARG  14          HH21      ARG  14  12.897  -1.181  -3.021
   94   HH22  ARG  14          HH22      ARG  14  13.738  -1.244  -4.539
   95    H    CYS  15           HN       CYS  15   6.851   2.980  -1.444
   96    HA   CYS  15           HA       CYS  15   4.293   3.369  -2.577
   97    HB2  CYS  15           HB2      CYS  15   5.035   4.700  -0.684
   98    HB3  CYS  15           HB1      CYS  15   6.363   5.363  -1.629
   99    H    GLY  16           HN       GLY  16   3.796   3.606  -4.659
  100    HA2  GLY  16           HA2      GLY  16   5.802   3.981  -6.661
  101    HA3  GLY  16           HA1      GLY  16   4.067   3.919  -6.929
  102    H    VAL  17           HN       VAL  17   3.935   6.121  -4.787
  103    HA   VAL  17           HA       VAL  17   4.008   8.305  -6.664
  104    HB   VAL  17           HB       VAL  17   3.290   8.317  -3.729
  105   HG11  VAL  17          HG11      VAL  17   3.855  10.539  -4.537
  106   HG12  VAL  17          HG12      VAL  17   2.121  10.413  -4.241
  107   HG13  VAL  17          HG13      VAL  17   2.739  10.348  -5.891
  108   HG21  VAL  17          HG21      VAL  17   1.530   8.082  -6.168
  109   HG22  VAL  17          HG22      VAL  17   0.958   8.279  -4.511
  110   HG23  VAL  17          HG23      VAL  17   1.839   6.824  -4.972
  111    H    CYS  18           HN       CYS  18   5.935   7.172  -3.963
  112    HA   CYS  18           HA       CYS  18   7.532   9.638  -4.089
  113    HB2  CYS  18           HB2      CYS  18   7.396   7.531  -1.931
  114    HB3  CYS  18           HB1      CYS  18   8.465   8.927  -1.900
  115    H    GLY  19           HN       GLY  19   7.690   6.204  -4.612
  116    HA2  GLY  19           HA2      GLY  19   9.394   4.902  -5.476
  117    HA3  GLY  19           HA1      GLY  19  10.365   6.359  -5.654
  118    H    ASP  20           HN       ASP  20   8.951   5.813  -2.607
  119    HA   ASP  20           HA       ASP  20  11.461   4.836  -1.462
  120    HB2  ASP  20           HB2      ASP  20  11.685   7.237  -1.370
  121    HB3  ASP  20           HB1      ASP  20  10.045   7.416  -0.755
  122    H    GLY  21           HN       GLY  21  11.218   3.963   0.676
  123    HA2  GLY  21           HA2      GLY  21   8.408   3.426   1.426
  124    HA3  GLY  21           HA1      GLY  21   9.659   2.196   1.501
  125    H    THR  22           HN       THR  22  10.441   5.447   2.413
  126    HA   THR  22           HA       THR  22  11.020   4.601   5.119
  127    HB   THR  22           HB       THR  22  11.204   7.392   3.975
  128    HG1  THR  22           HG1      THR  22  12.518   6.224   2.655
  129   HG21  THR  22          HG21      THR  22  12.913   7.696   5.703
  130   HG22  THR  22          HG22      THR  22  12.647   6.044   6.258
  131   HG23  THR  22          HG23      THR  22  11.362   7.242   6.411
  132    H    ASP  23           HN       ASP  23   9.778   4.958   6.884
  133    HA   ASP  23           HA       ASP  23   7.933   5.428   8.133
  134    HB2  ASP  23           HB2      ASP  23   8.126   7.994   6.546
  135    HB3  ASP  23           HB1      ASP  23   6.947   7.756   7.831
  136    H    VAL  24           HN       VAL  24   7.542   3.845   5.904
  137    HA   VAL  24           HA       VAL  24   5.202   4.814   4.480
  138    HB   VAL  24           HB       VAL  24   7.247   3.516   3.509
  139   HG11  VAL  24          HG11      VAL  24   7.004   1.126   3.375
  140   HG12  VAL  24          HG12      VAL  24   5.553   1.191   4.374
  141   HG13  VAL  24          HG13      VAL  24   7.116   1.629   5.062
  142   HG21  VAL  24          HG21      VAL  24   5.340   4.229   2.206
  143   HG22  VAL  24          HG22      VAL  24   4.436   2.805   2.728
  144   HG23  VAL  24          HG23      VAL  24   5.871   2.620   1.718
  145    H    LEU  25           HN       LEU  25   3.245   3.510   4.327
  146    HA   LEU  25           HA       LEU  25   2.666   2.104   6.822
  147    HB2  LEU  25           HB2      LEU  25   0.907   3.175   4.624
  148    HB3  LEU  25           HB1      LEU  25   0.294   2.148   5.906
  149    HG   LEU  25           HG       LEU  25   1.623   4.820   6.344
  150   HD11  LEU  25          HD11      LEU  25  -0.611   5.653   6.802
  151   HD12  LEU  25          HD12      LEU  25  -1.292   4.077   6.404
  152   HD13  LEU  25          HD13      LEU  25  -0.500   5.035   5.152
  153   HD21  LEU  25          HD21      LEU  25   1.834   3.290   8.237
  154   HD22  LEU  25          HD22      LEU  25   0.092   3.017   8.215
  155   HD23  LEU  25          HD23      LEU  25   0.731   4.613   8.606
  156    H    ARG  26           HN       ARG  26   1.875   0.025   6.888
  157    HA   ARG  26           HA       ARG  26   2.371  -1.573   4.465
  158    HB2  ARG  26           HB2      ARG  26   2.364  -2.441   7.364
  159    HB3  ARG  26           HB1      ARG  26   2.748  -3.459   5.986
  160    HG2  ARG  26           HG2      ARG  26   4.317  -1.039   6.839
  161    HG3  ARG  26           HG1      ARG  26   4.739  -2.712   7.205
  162    HD2  ARG  26           HD2      ARG  26   4.948  -3.194   4.829
  163    HD3  ARG  26           HD1      ARG  26   4.474  -1.542   4.437
  164    HE   ARG  26           HE       ARG  26   6.608  -1.170   6.032
  165   HH11  ARG  26          HH11      ARG  26   6.114  -3.206   3.219
  166   HH12  ARG  26          HH12      ARG  26   7.763  -3.085   2.693
  167   HH21  ARG  26          HH21      ARG  26   8.770  -1.014   5.331
  168   HH22  ARG  26          HH22      ARG  26   9.274  -1.844   3.896
  169    H    CYS  27           HN       CYS  27   0.701  -2.649   3.575
  170    HA   CYS  27           HA       CYS  27  -1.942  -2.354   4.573
  171    HB2  CYS  27           HB2      CYS  27  -1.198  -2.809   2.136
  172    HB3  CYS  27           HB1      CYS  27  -1.120  -4.511   2.610
  173    H    THR  28           HN       THR  28  -3.094  -3.609   5.943
  174    HA   THR  28           HA       THR  28  -1.670  -5.743   7.300
  175    HB   THR  28           HB       THR  28  -3.744  -5.769   8.757
  176    HG1  THR  28           HG1      THR  28  -5.374  -4.500   8.255
  177   HG21  THR  28          HG21      THR  28  -3.188  -3.653   9.879
  178   HG22  THR  28          HG22      THR  28  -2.274  -3.148   8.458
  179   HG23  THR  28          HG23      THR  28  -1.736  -4.536   9.404
  180    H    HIS  29           HN       HIS  29  -3.928  -5.443   4.784
  181    HA   HIS  29           HA       HIS  29  -5.010  -8.124   5.219
  182    HB2  HIS  29           HB2      HIS  29  -5.833  -5.904   3.351
  183    HB3  HIS  29           HB1      HIS  29  -6.540  -7.517   3.303
  184    HD1  HIS  29           HD1      HIS  29  -8.203  -8.135   5.141
  185    HD2  HIS  29           HD2      HIS  29  -6.530  -4.360   5.609
  186    HE1  HIS  29           HE1      HIS  29  -9.545  -7.017   6.948
  187    HE2  HIS  29           HE2      HIS  29  -8.375  -4.825   7.356
  188    H    CYS  30           HN       CYS  30  -2.722  -6.458   3.292
  189    HA   CYS  30           HA       CYS  30  -1.974  -8.968   2.087
  190    HB2  CYS  30           HB2      CYS  30  -2.155  -8.375  -0.165
  191    HB3  CYS  30           HB1      CYS  30  -3.637  -7.720   0.519
  192    H    ALA  31           HN       ALA  31  -0.082  -7.923   0.300
  193    HA   ALA  31           HA       ALA  31   1.764  -6.635   2.169
  194    HB1  ALA  31           HB1      ALA  31   3.549  -7.502   0.701
  195    HB2  ALA  31           HB2      ALA  31   2.318  -8.273  -0.298
  196    HB3  ALA  31           HB3      ALA  31   2.541  -8.782   1.375
  197    H    ALA  32           HN       ALA  32   1.962  -4.518   1.874
  198    HA   ALA  32           HA       ALA  32   2.602  -3.395  -0.661
  199    HB1  ALA  32           HB1      ALA  32   0.671  -1.951  -0.956
  200    HB2  ALA  32           HB2      ALA  32  -0.104  -2.667   0.454
  201    HB3  ALA  32           HB3      ALA  32   0.179  -3.644  -0.986
  202    H    ALA  33           HN       ALA  33   3.790  -1.650  -0.351
  203    HA   ALA  33           HA       ALA  33   3.671  -0.283   2.260
  204    HB1  ALA  33           HB1      ALA  33   5.811  -1.363   1.861
  205    HB2  ALA  33           HB2      ALA  33   5.994   0.390   1.828
  206    HB3  ALA  33           HB3      ALA  33   5.968  -0.522   0.319
  207    H    PHE  34           HN       PHE  34   2.604   1.566   2.120
  208    HA   PHE  34           HA       PHE  34   3.277   3.459   0.023
  209    HB2  PHE  34           HB2      PHE  34   1.012   3.804  -0.730
  210    HB3  PHE  34           HB1      PHE  34   1.382   2.091  -0.894
  211    HD1  PHE  34           HD2      PHE  34   0.555   0.519   0.937
  212    HD2  PHE  34           HD1      PHE  34  -0.835   4.515   0.484
  213    HE1  PHE  34           HE2      PHE  34  -1.438  -0.024   2.274
  214    HE2  PHE  34           HE1      PHE  34  -2.826   3.979   1.822
  215    HZ   PHE  34           HZ       PHE  34  -3.129   1.708   2.718
  216    H    HIS  35           HN       HIS  35   2.967   5.581   0.688
  217    HA   HIS  35           HA       HIS  35   2.245   6.042   3.438
  218    HB2  HIS  35           HB2      HIS  35   2.650   8.089   1.244
  219    HB3  HIS  35           HB1      HIS  35   2.639   8.397   2.973
  220    HD2  HIS  35           HD2      HIS  35   4.983   7.673   4.335
  221    HE1  HIS  35           HE1      HIS  35   7.216   7.076   0.782
  222    HE2  HIS  35           HE2      HIS  35   7.322   7.153   3.324
  223    H    TRP  36           HN       TRP  36   0.273   6.809   4.182
  224    HA   TRP  36           HA       TRP  36  -1.998   6.057   2.813
  225    HB2  TRP  36           HB2      TRP  36  -1.907   6.499   5.253
  226    HB3  TRP  36           HB1      TRP  36  -1.857   8.226   4.918
  227    HD1  TRP  36           HD1      TRP  36  -4.139   9.407   4.841
  228    HE1  TRP  36           HE1      TRP  36  -6.593   8.655   4.670
  229    HE3  TRP  36           HE3      TRP  36  -3.398   4.401   4.133
  230    HZ2  TRP  36           HZ2      TRP  36  -8.025   6.246   4.283
  231    HZ3  TRP  36           HZ3      TRP  36  -5.360   2.941   3.875
  232    HH2  TRP  36           HH2      TRP  36  -7.626   3.846   3.949
  233    H    ARG  37           HN       ARG  37  -0.681   9.336   3.117
  234    HA   ARG  37           HA       ARG  37  -2.808  10.582   1.724
  235    HB2  ARG  37           HB2      ARG  37  -0.014  11.597   2.248
  236    HB3  ARG  37           HB1      ARG  37  -1.400  12.577   1.785
  237    HG2  ARG  37           HG2      ARG  37  -2.522  12.028   3.859
  238    HG3  ARG  37           HG1      ARG  37  -1.192  10.957   4.313
  239    HD2  ARG  37           HD2      ARG  37  -0.917  13.917   3.821
  240    HD3  ARG  37           HD1      ARG  37  -1.112  13.183   5.412
  241    HE   ARG  37           HE       ARG  37   1.046  11.947   4.136
  242   HH11  ARG  37          HH11      ARG  37   0.179  15.072   5.440
  243   HH12  ARG  37          HH12      ARG  37   1.809  15.497   5.845
  244   HH21  ARG  37          HH21      ARG  37   3.194  12.494   4.687
  245   HH22  ARG  37          HH22      ARG  37   3.524  14.027   5.430
  246    H    CYS  38           HN       CYS  38  -0.071   8.875   0.619
  247    HA   CYS  38           HA       CYS  38   0.158  10.204  -1.915
  248    HB2  CYS  38           HB2      CYS  38   1.190   7.492  -1.069
  249    HB3  CYS  38           HB1      CYS  38   1.711   8.418  -2.474
  250    H    HIS  39           HN       HIS  39  -1.790   7.723  -0.572
  251    HA   HIS  39           HA       HIS  39  -2.715   6.900  -3.237
  252    HB2  HIS  39           HB2      HIS  39  -2.684   5.593  -0.562
  253    HB3  HIS  39           HB1      HIS  39  -3.994   5.184  -1.661
  254    HD1  HIS  39           HD1      HIS  39  -3.444   2.989  -2.602
  255    HD2  HIS  39           HD2      HIS  39  -0.122   5.480  -2.467
  256    HE1  HIS  39           HE1      HIS  39  -1.562   1.653  -3.597
  257    HE2  HIS  39           HE2      HIS  39   0.397   3.247  -3.669
  258    H    PHE  40           HN       PHE  40  -3.891   7.842  -0.042
  259    HA   PHE  40           HA       PHE  40  -6.493   8.495  -1.241
  260    HB2  PHE  40           HB2      PHE  40  -5.773   7.929   1.645
  261    HB3  PHE  40           HB1      PHE  40  -7.390   8.287   1.046
  262    HD1  PHE  40           HD1      PHE  40  -4.671   5.807   1.039
  263    HD2  PHE  40           HD2      PHE  40  -8.709   6.620  -0.022
  264    HE1  PHE  40           HE1      PHE  40  -5.041   3.410   0.623
  265    HE2  PHE  40           HE2      PHE  40  -9.087   4.227  -0.441
  266    HZ   PHE  40           HZ       PHE  40  -7.239   2.623  -0.153
  267    HA   PRO  41           HA       PRO  41  -5.257  12.762  -0.890
  268    HB2  PRO  41           HB2      PRO  41  -8.208  13.131  -0.969
  269    HB3  PRO  41           HB1      PRO  41  -6.953  13.887  -1.958
  270    HG2  PRO  41           HG2      PRO  41  -8.487  11.972  -2.971
  271    HG3  PRO  41           HG1      PRO  41  -6.757  12.041  -3.352
  272    HD2  PRO  41           HD2      PRO  41  -8.210  10.244  -1.459
  273    HD3  PRO  41           HD1      PRO  41  -6.851   9.880  -2.543
  274    H    ALA  42           HN       ALA  42  -5.770  14.609   0.448
  275    HA   ALA  42           HA       ALA  42  -5.450  13.877   3.125
  276    HB1  ALA  42           HB1      ALA  42  -4.489  15.893   2.119
  277    HB2  ALA  42           HB2      ALA  42  -5.380  16.248   3.596
  278    HB3  ALA  42           HB3      ALA  42  -6.100  16.603   2.028
  279    H    GLY  43           HN       GLY  43  -8.334  14.457   1.363
  280    HA2  GLY  43           HA2      GLY  43  -9.939  15.123   3.671
  281    HA3  GLY  43           HA1      GLY  43 -10.523  14.814   2.043
  282    H    THR  44           HN       THR  44  -8.495  12.331   2.868
  283    HA   THR  44           HA       THR  44 -10.734  10.688   3.844
  284    HB   THR  44           HB       THR  44  -8.289   9.815   2.288
  285    HG1  THR  44           HG1      THR  44  -9.893  10.990   1.069
  286   HG21  THR  44          HG21      THR  44  -9.411   7.641   2.128
  287   HG22  THR  44          HG22      THR  44 -10.723   8.237   3.146
  288   HG23  THR  44          HG23      THR  44  -9.098   8.067   3.812
  289    H    SER  45           HN       SER  45 -10.513   9.579   5.703
  290    HA   SER  45           HA       SER  45  -8.221  10.259   7.352
  291    HB2  SER  45           HB2      SER  45 -10.511  10.561   8.234
  292    HB3  SER  45           HB1      SER  45 -10.802   8.832   8.056
  293    HG   SER  45           HG       SER  45  -9.876   8.548   9.907
  294    H    ARG  46           HN       ARG  46  -6.880   8.792   8.331
  295    HA   ARG  46           HA       ARG  46  -6.571   6.255   6.968
  296    HB2  ARG  46           HB2      ARG  46  -4.601   7.604   7.283
  297    HB3  ARG  46           HB1      ARG  46  -4.900   7.720   9.012
  298    HG2  ARG  46           HG2      ARG  46  -4.502   5.302   9.222
  299    HG3  ARG  46           HG1      ARG  46  -4.147   5.230   7.493
  300    HD2  ARG  46           HD2      ARG  46  -2.109   5.361   8.887
  301    HD3  ARG  46           HD1      ARG  46  -2.269   6.719   7.774
  302    HE   ARG  46           HE       ARG  46  -3.222   7.068  10.519
  303   HH11  ARG  46          HH11      ARG  46  -0.791   7.735   8.085
  304   HH12  ARG  46          HH12      ARG  46  -0.130   9.094   8.934
  305   HH21  ARG  46          HH21      ARG  46  -2.355   8.866  11.630
  306   HH22  ARG  46          HH22      ARG  46  -1.013   9.731  10.950
  307    HA   PRO  47           HA       PRO  47  -8.676   4.114  10.326
  308    HB2  PRO  47           HB2      PRO  47  -7.811   1.677   8.961
  309    HB3  PRO  47           HB1      PRO  47  -9.448   2.268   9.253
  310    HG2  PRO  47           HG2      PRO  47  -8.324   2.218   6.789
  311    HG3  PRO  47           HG1      PRO  47  -9.521   3.430   7.276
  312    HD2  PRO  47           HD2      PRO  47  -6.552   3.682   7.051
  313    HD3  PRO  47           HD1      PRO  47  -7.823   4.854   6.644
  314    H    GLY  48           HN       GLY  48  -7.855   3.518  12.230
  315    HA2  GLY  48           HA2      GLY  48  -5.000   2.888  12.379
  316    HA3  GLY  48           HA1      GLY  48  -6.032   3.360  13.721
  317    H    THR  49           HN       THR  49  -7.998   1.293  12.450
  318    HA   THR  49           HA       THR  49  -7.091  -0.874  14.156
  319    HB   THR  49           HB       THR  49  -9.439  -0.106  14.275
  320    HG1  THR  49           HG1      THR  49  -8.749  -2.755  13.630
  321   HG21  THR  49          HG21      THR  49 -10.997  -0.665  12.476
  322   HG22  THR  49          HG22      THR  49  -9.657  -1.262  11.496
  323   HG23  THR  49          HG23      THR  49  -9.752   0.447  11.910
  324    H    GLY  50           HN       GLY  50  -6.823  -0.065  10.913
  325    HA2  GLY  50           HA2      GLY  50  -5.546  -2.440  10.166
  326    HA3  GLY  50           HA1      GLY  50  -7.217  -2.528   9.626
  327    H    LEU  51           HN       LEU  51  -4.255  -1.843   8.570
  328    HA   LEU  51           HA       LEU  51  -4.918   0.563   7.074
  329    HB2  LEU  51           HB2      LEU  51  -2.589  -0.376   8.183
  330    HB3  LEU  51           HB1      LEU  51  -2.380  -0.786   6.493
  331    HG   LEU  51           HG       LEU  51  -1.362   1.364   6.993
  332   HD11  LEU  51          HD11      LEU  51  -2.451   2.725   5.287
  333   HD12  LEU  51          HD12      LEU  51  -3.850   1.651   5.323
  334   HD13  LEU  51          HD13      LEU  51  -2.287   1.046   4.772
  335   HD21  LEU  51          HD21      LEU  51  -4.132   2.241   7.795
  336   HD22  LEU  51          HD22      LEU  51  -2.712   3.279   7.671
  337   HD23  LEU  51          HD23      LEU  51  -2.765   1.998   8.883
  338    H    ARG  52           HN       ARG  52  -5.725   0.491   5.088
  339    HA   ARG  52           HA       ARG  52  -5.458  -2.019   3.576
  340    HB2  ARG  52           HB2      ARG  52  -7.728  -0.019   3.526
  341    HB3  ARG  52           HB1      ARG  52  -7.608  -1.435   2.491
  342    HG2  ARG  52           HG2      ARG  52  -7.640  -2.857   4.522
  343    HG3  ARG  52           HG1      ARG  52  -7.907  -1.400   5.485
  344    HD2  ARG  52           HD2      ARG  52  -9.965  -0.959   4.236
  345    HD3  ARG  52           HD1      ARG  52  -9.697  -2.414   3.279
  346    HE   ARG  52           HE       ARG  52  -9.935  -2.648   6.186
  347   HH11  ARG  52          HH11      ARG  52 -11.269  -3.217   3.004
  348   HH12  ARG  52          HH12      ARG  52 -12.460  -4.342   3.565
  349   HH21  ARG  52          HH21      ARG  52 -11.490  -4.135   6.933
  350   HH22  ARG  52          HH22      ARG  52 -12.582  -4.878   5.809
  351    H    CYS  53           HN       CYS  53  -4.447  -1.899   1.707
  352    HA   CYS  53           HA       CYS  53  -3.560   0.583   0.609
  353    HB2  CYS  53           HB2      CYS  53  -2.476  -0.729  -1.076
  354    HB3  CYS  53           HB1      CYS  53  -2.315  -1.610   0.445
  355    H    ARG  54           HN       ARG  54  -3.843   0.287  -2.107
  356    HA   ARG  54           HA       ARG  54  -6.300   1.541  -2.541
  357    HB2  ARG  54           HB2      ARG  54  -4.331   1.797  -3.997
  358    HB3  ARG  54           HB1      ARG  54  -4.527   0.140  -4.547
  359    HG2  ARG  54           HG2      ARG  54  -6.678   0.706  -5.531
  360    HG3  ARG  54           HG1      ARG  54  -6.508   2.366  -4.958
  361    HD2  ARG  54           HD2      ARG  54  -4.469   2.601  -6.304
  362    HD3  ARG  54           HD1      ARG  54  -4.689   0.958  -6.905
  363    HE   ARG  54           HE       ARG  54  -7.017   2.112  -7.563
  364   HH11  ARG  54          HH11      ARG  54  -3.698   3.108  -8.019
  365   HH12  ARG  54          HH12      ARG  54  -4.023   3.985  -9.477
  366   HH21  ARG  54          HH21      ARG  54  -7.459   3.262  -9.489
  367   HH22  ARG  54          HH22      ARG  54  -6.166   4.075 -10.314
  368    H    SER  55           HN       SER  55  -5.302  -1.782  -3.385
  369    HA   SER  55           HA       SER  55  -7.803  -2.444  -4.537
  370    HB2  SER  55           HB2      SER  55  -5.684  -3.575  -5.120
  371    HB3  SER  55           HB1      SER  55  -5.642  -4.296  -3.515
  372    HG   SER  55           HG       SER  55  -7.244  -5.621  -4.038
  373    H    CYS  56           HN       CYS  56  -6.426  -3.036  -1.314
  374    HA   CYS  56           HA       CYS  56  -8.563  -4.730  -0.486
  375    HB2  CYS  56           HB2      CYS  56  -6.497  -3.266   1.156
  376    HB3  CYS  56           HB1      CYS  56  -7.593  -4.493   1.779
  377    H    SER  57           HN       SER  57  -8.265  -1.344  -0.737
  378    HA   SER  57           HA       SER  57 -10.228  -0.794   1.331
  379    HB2  SER  57           HB2      SER  57  -8.238   0.709   0.839
  380    HB3  SER  57           HB1      SER  57  -9.059   1.165  -0.652
  381    HG   SER  57           HG       SER  57  -9.959   2.612   0.587
  382    H    GLY  58           HN       GLY  58 -10.549  -2.164  -1.518
  383    HA2  GLY  58           HA2      GLY  58 -13.222  -1.071  -1.893
  384    HA3  GLY  58           HA1      GLY  58 -12.131  -0.953  -3.266
  385    H    ASP  59           HN       ASP  59 -14.348  -2.295  -3.720
  386    HA   ASP  59           HA       ASP  59 -13.389  -5.064  -3.910
  387    HB2  ASP  59           HB2      ASP  59 -16.134  -4.134  -3.090
  388    HB3  ASP  59           HB1      ASP  59 -15.889  -5.714  -3.823
  389    H    VAL  60           HN       VAL  60 -12.716  -4.834  -5.986
  390    HA   VAL  60           HA       VAL  60 -14.479  -3.601  -7.937
  391    HB   VAL  60           HB       VAL  60 -11.698  -4.740  -8.278
  392   HG11  VAL  60          HG11      VAL  60 -13.000  -4.733 -10.361
  393   HG12  VAL  60          HG12      VAL  60 -11.670  -3.576 -10.408
  394   HG13  VAL  60          HG13      VAL  60 -13.320  -3.012 -10.144
  395   HG21  VAL  60          HG21      VAL  60 -12.641  -1.890  -7.984
  396   HG22  VAL  60          HG22      VAL  60 -10.988  -2.395  -8.331
  397   HG23  VAL  60          HG23      VAL  60 -11.732  -2.816  -6.790
  398    H    THR  61           HN       THR  61 -16.106  -4.918  -8.467
  399    HA   THR  61           HA       THR  61 -15.907  -7.725  -8.784
  400    HB   THR  61           HB       THR  61 -17.964  -5.804  -9.902
  401    HG1  THR  61           HG1      THR  61 -17.508  -6.895  -7.395
  402   HG21  THR  61          HG21      THR  61 -19.436  -7.738 -10.054
  403   HG22  THR  61          HG22      THR  61 -18.152  -8.787  -9.454
  404   HG23  THR  61          HG23      THR  61 -17.988  -8.003 -11.024
  405    HA   PRO  62           HA       PRO  62 -13.851  -7.841 -12.731
  406    HB2  PRO  62           HB2      PRO  62 -14.567 -10.413 -13.373
  407    HB3  PRO  62           HB1      PRO  62 -13.222  -9.995 -12.308
  408    HG2  PRO  62           HG2      PRO  62 -16.002 -10.844 -11.607
  409    HG3  PRO  62           HG1      PRO  62 -14.463 -11.315 -10.861
  410    HD2  PRO  62           HD2      PRO  62 -16.081  -9.494  -9.735
  411    HD3  PRO  62           HD1      PRO  62 -14.313  -9.356  -9.639
  412    H    ALA  63           HN       ALA  63 -14.466  -7.275 -14.713
  413    HA   ALA  63           HA       ALA  63 -17.233  -6.902 -15.299
  414    HB1  ALA  63           HB1      ALA  63 -15.529  -5.306 -16.018
  415    HB2  ALA  63           HB2      ALA  63 -16.434  -5.937 -17.393
  416    HB3  ALA  63           HB3      ALA  63 -14.811  -6.536 -17.057
  417    HA   PRO  64           HA       PRO  64 -17.691 -10.907 -17.284
  418    HB2  PRO  64           HB2      PRO  64 -20.334 -10.670 -17.813
  419    HB3  PRO  64           HB1      PRO  64 -19.722 -11.066 -16.204
  420    HG2  PRO  64           HG2      PRO  64 -20.688  -8.450 -17.277
  421    HG3  PRO  64           HG1      PRO  64 -20.952  -9.173 -15.681
  422    HD2  PRO  64           HD2      PRO  64 -19.098  -7.226 -16.183
  423    HD3  PRO  64           HD1      PRO  64 -18.951  -8.410 -14.872
  424    H    VAL  65           HN       VAL  65 -17.293 -11.364 -19.359
  425    HA   VAL  65           HA       VAL  65 -17.870  -9.298 -21.362
  426    HB   VAL  65           HB       VAL  65 -16.150 -10.386 -22.762
  427   HG11  VAL  65          HG11      VAL  65 -14.205  -9.692 -21.439
  428   HG12  VAL  65          HG12      VAL  65 -15.216  -9.634 -19.995
  429   HG13  VAL  65          HG13      VAL  65 -15.522  -8.524 -21.330
  430   HG21  VAL  65          HG21      VAL  65 -15.658 -12.110 -20.339
  431   HG22  VAL  65          HG22      VAL  65 -14.699 -12.091 -21.818
  432   HG23  VAL  65          HG23      VAL  65 -16.369 -12.653 -21.859
  433    H    GLU  66           HN       GLU  66 -18.926 -12.279 -20.291
  434    HA   GLU  66           HA       GLU  66 -19.948 -13.050 -22.924
  435    HB2  GLU  66           HB2      GLU  66 -20.021 -14.533 -20.292
  436    HB3  GLU  66           HB1      GLU  66 -20.665 -15.140 -21.811
  437    HG2  GLU  66           HG2      GLU  66 -18.346 -14.924 -22.755
  438    HG3  GLU  66           HG1      GLU  66 -17.793 -14.610 -21.110
  Start of MODEL   46
    1    H1   GLY   1           HT1      GLY   1  13.931 -23.428 -16.068
    2    H2   GLY   1           HT2      GLY   1  14.879 -22.932 -14.761
    3    H3   GLY   1           HT3      GLY   1  14.973 -22.107 -16.230
    4    HA2  GLY   1           HA1      GLY   1  12.691 -21.369 -16.002
    5    HA3  GLY   1           HA2      GLY   1  12.590 -22.231 -14.474
    6    H    ALA   2           HN       ALA   2  12.091 -20.290 -13.382
    7    HA   ALA   2           HA       ALA   2  13.992 -18.119 -13.394
    8    HB1  ALA   2           HB1      ALA   2  11.600 -18.595 -11.616
    9    HB2  ALA   2           HB2      ALA   2  11.597 -17.678 -13.123
   10    HB3  ALA   2           HB3      ALA   2  12.521 -17.097 -11.737
   11    H    MET   3           HN       MET   3  15.871 -18.328 -12.367
   12    HA   MET   3           HA       MET   3  16.164 -20.216 -10.196
   13    HB2  MET   3           HB2      MET   3  17.922 -20.054 -11.881
   14    HB3  MET   3           HB1      MET   3  18.162 -18.357 -11.493
   15    HG2  MET   3           HG2      MET   3  18.971 -18.918  -9.300
   16    HG3  MET   3           HG1      MET   3  18.602 -20.622  -9.562
   17    HE1  MET   3           HE1      MET   3  21.839 -18.362 -11.958
   18    HE2  MET   3           HE2      MET   3  20.788 -17.585 -10.776
   19    HE3  MET   3           HE3      MET   3  20.115 -18.204 -12.283
   20    H    GLU   4           HN       GLU   4  15.889 -19.735  -8.151
   21    HA   GLU   4           HA       GLU   4  16.274 -16.959  -7.261
   22    HB2  GLU   4           HB2      GLU   4  13.874 -17.570  -7.359
   23    HB3  GLU   4           HB1      GLU   4  14.189 -18.920  -6.280
   24    HG2  GLU   4           HG2      GLU   4  14.942 -17.301  -4.560
   25    HG3  GLU   4           HG1      GLU   4  14.454 -15.993  -5.639
   26    H    GLY   5           HN       GLY   5  17.071 -16.717  -5.117
   27    HA2  GLY   5           HA2      GLY   5  17.688 -18.138  -3.073
   28    HA3  GLY   5           HA1      GLY   5  18.616 -19.067  -4.245
   29    H    GLN   6           HN       GLN   6  20.001 -17.544  -5.708
   30    HA   GLN   6           HA       GLN   6  21.818 -16.117  -4.060
   31    HB2  GLN   6           HB2      GLN   6  22.897 -15.461  -6.177
   32    HB3  GLN   6           HB1      GLN   6  22.568 -17.187  -6.118
   33    HG2  GLN   6           HG2      GLN   6  20.632 -16.895  -7.544
   34    HG3  GLN   6           HG1      GLN   6  20.880 -15.149  -7.553
   35   HE21  GLN   6          HE21      GLN   6  21.115 -15.046  -9.760
   36   HE22  GLN   6          HE22      GLN   6  22.504 -15.658 -10.585
   37    H    GLN   7           HN       GLN   7  19.071 -15.247  -5.998
   38    HA   GLN   7           HA       GLN   7  19.376 -12.445  -5.171
   39    HB2  GLN   7           HB2      GLN   7  17.794 -11.899  -6.983
   40    HB3  GLN   7           HB1      GLN   7  19.234 -12.702  -7.591
   41    HG2  GLN   7           HG2      GLN   7  18.019 -14.795  -7.776
   42    HG3  GLN   7           HG1      GLN   7  16.575 -14.031  -7.112
   43   HE21  GLN   7          HE21      GLN   7  15.420 -12.569  -8.379
   44   HE22  GLN   7          HE22      GLN   7  15.633 -12.470 -10.091
   45    H    ASN   8           HN       ASN   8  17.593 -11.400  -4.222
   46    HA   ASN   8           HA       ASN   8  15.428 -13.181  -3.332
   47    HB2  ASN   8           HB2      ASN   8  17.036 -12.867  -1.493
   48    HB3  ASN   8           HB1      ASN   8  16.861 -11.121  -1.639
   49   HD21  ASN   8          HD21      ASN   8  15.383 -14.073  -0.587
   50   HD22  ASN   8          HD22      ASN   8  14.100 -13.343   0.315
   51    H    LEU   9           HN       LEU   9  13.549 -12.446  -4.019
   52    HA   LEU   9           HA       LEU   9  13.284  -9.688  -4.874
   53    HB2  LEU   9           HB2      LEU   9  11.409 -12.048  -5.026
   54    HB3  LEU   9           HB1      LEU   9  10.983 -10.446  -5.582
   55    HG   LEU   9           HG       LEU   9  11.573 -11.648  -7.511
   56   HD11  LEU   9          HD11      LEU   9  13.539 -10.513  -8.366
   57   HD12  LEU   9          HD12      LEU   9  14.013 -10.065  -6.729
   58   HD13  LEU   9          HD13      LEU   9  12.534  -9.409  -7.429
   59   HD21  LEU   9          HD21      LEU   9  14.067 -12.564  -6.086
   60   HD22  LEU   9          HD22      LEU   9  13.654 -12.908  -7.766
   61   HD23  LEU   9          HD23      LEU   9  12.655 -13.551  -6.463
   62    H    ALA  10           HN       ALA  10  12.780  -8.196  -3.435
   63    HA   ALA  10           HA       ALA  10  11.586  -8.752  -0.916
   64    HB1  ALA  10           HB1      ALA  10  11.565  -6.319  -0.637
   65    HB2  ALA  10           HB2      ALA  10  11.964  -6.121  -2.343
   66    HB3  ALA  10           HB3      ALA  10  13.120  -6.880  -1.249
   67    HA   PRO  11           HA       PRO  11   7.308  -8.828  -1.938
   68    HB2  PRO  11           HB2      PRO  11   6.749  -7.434   0.597
   69    HB3  PRO  11           HB1      PRO  11   6.251  -9.043   0.067
   70    HG2  PRO  11           HG2      PRO  11   8.127  -8.692   1.956
   71    HG3  PRO  11           HG1      PRO  11   8.205 -10.029   0.795
   72    HD2  PRO  11           HD2      PRO  11   9.727  -7.456   0.830
   73    HD3  PRO  11           HD1      PRO  11  10.276  -9.086   0.397
   74    H    GLY  12           HN       GLY  12   8.918  -5.885  -1.348
   75    HA2  GLY  12           HA2      GLY  12   8.485  -4.057  -2.858
   76    HA3  GLY  12           HA1      GLY  12   6.781  -4.480  -2.803
   77    H    ALA  13           HN       ALA  13   9.442  -3.215  -0.842
   78    HA   ALA  13           HA       ALA  13   7.460  -1.822   0.821
   79    HB1  ALA  13           HB1      ALA  13   9.261  -1.499   2.437
   80    HB2  ALA  13           HB2      ALA  13  10.392  -2.295   1.343
   81    HB3  ALA  13           HB3      ALA  13   9.059  -3.207   2.049
   82    H    ARG  14           HN       ARG  14   7.125  -0.361  -1.033
   83    HA   ARG  14           HA       ARG  14   8.781   1.982  -0.801
   84    HB2  ARG  14           HB2      ARG  14  10.021   0.550  -2.433
   85    HB3  ARG  14           HB1      ARG  14   8.610   0.583  -3.478
   86    HG2  ARG  14           HG2      ARG  14   8.818   3.055  -3.584
   87    HG3  ARG  14           HG1      ARG  14  10.323   2.918  -2.673
   88    HD2  ARG  14           HD2      ARG  14  10.867   3.062  -4.999
   89    HD3  ARG  14           HD1      ARG  14  11.191   1.417  -4.458
   90    HE   ARG  14           HE       ARG  14   8.573   1.622  -5.520
   91   HH11  ARG  14          HH11      ARG  14  11.934   1.438  -6.470
   92   HH12  ARG  14          HH12      ARG  14  11.587   0.787  -8.039
   93   HH21  ARG  14          HH21      ARG  14   8.105   0.760  -7.574
   94   HH22  ARG  14          HH22      ARG  14   9.405   0.403  -8.672
   95    H    CYS  15           HN       CYS  15   7.490   3.721  -0.995
   96    HA   CYS  15           HA       CYS  15   4.783   3.506  -1.893
   97    HB2  CYS  15           HB2      CYS  15   5.336   5.147  -0.197
   98    HB3  CYS  15           HB1      CYS  15   6.522   5.906  -1.252
   99    H    GLY  16           HN       GLY  16   4.290   3.242  -3.984
  100    HA2  GLY  16           HA2      GLY  16   6.104   3.647  -6.097
  101    HA3  GLY  16           HA1      GLY  16   4.381   3.362  -6.274
  102    H    VAL  17           HN       VAL  17   3.841   5.800  -4.608
  103    HA   VAL  17           HA       VAL  17   3.680   7.670  -6.759
  104    HB   VAL  17           HB       VAL  17   3.170   8.094  -3.808
  105   HG11  VAL  17          HG11      VAL  17   1.772   9.976  -4.533
  106   HG12  VAL  17          HG12      VAL  17   2.280   9.702  -6.200
  107   HG13  VAL  17          HG13      VAL  17   3.462  10.196  -4.987
  108   HG21  VAL  17          HG21      VAL  17   1.274   7.323  -6.023
  109   HG22  VAL  17          HG22      VAL  17   0.803   7.726  -4.373
  110   HG23  VAL  17          HG23      VAL  17   1.792   6.300  -4.684
  111    H    CYS  18           HN       CYS  18   5.885   7.126  -4.127
  112    HA   CYS  18           HA       CYS  18   7.164   9.725  -4.595
  113    HB2  CYS  18           HB2      CYS  18   7.260   7.848  -2.240
  114    HB3  CYS  18           HB1      CYS  18   8.317   9.243  -2.398
  115    H    GLY  19           HN       GLY  19   7.920   6.278  -4.243
  116    HA2  GLY  19           HA2      GLY  19   9.654   5.232  -5.528
  117    HA3  GLY  19           HA1      GLY  19  10.491   6.778  -5.589
  118    H    ASP  20           HN       ASP  20   9.474   6.778  -2.586
  119    HA   ASP  20           HA       ASP  20  11.897   5.472  -1.558
  120    HB2  ASP  20           HB2      ASP  20  10.266   7.772  -0.460
  121    HB3  ASP  20           HB1      ASP  20  11.542   6.970   0.448
  122    H    GLY  21           HN       GLY  21  11.785   4.302   0.392
  123    HA2  GLY  21           HA2      GLY  21   9.081   3.320   1.066
  124    HA3  GLY  21           HA1      GLY  21  10.563   2.390   1.269
  125    H    THR  22           HN       THR  22  11.018   5.606   2.045
  126    HA   THR  22           HA       THR  22  11.456   5.145   4.791
  127    HB   THR  22           HB       THR  22  10.972   7.843   3.522
  128    HG1  THR  22           HG1      THR  22  13.216   7.780   2.990
  129   HG21  THR  22          HG21      THR  22  11.230   7.799   5.969
  130   HG22  THR  22          HG22      THR  22  12.587   8.612   5.189
  131   HG23  THR  22          HG23      THR  22  12.772   6.961   5.787
  132    H    ASP  23           HN       ASP  23  10.183   5.400   6.526
  133    HA   ASP  23           HA       ASP  23   8.233   5.238   7.675
  134    HB2  ASP  23           HB2      ASP  23   7.085   7.368   7.975
  135    HB3  ASP  23           HB1      ASP  23   8.823   7.578   7.976
  136    H    VAL  24           HN       VAL  24   7.863   3.729   5.601
  137    HA   VAL  24           HA       VAL  24   5.509   4.535   4.113
  138    HB   VAL  24           HB       VAL  24   7.578   3.249   3.199
  139   HG11  VAL  24          HG11      VAL  24   7.587   1.445   4.810
  140   HG12  VAL  24          HG12      VAL  24   7.363   0.832   3.172
  141   HG13  VAL  24          HG13      VAL  24   5.986   0.941   4.270
  142   HG21  VAL  24          HG21      VAL  24   6.242   2.242   1.462
  143   HG22  VAL  24          HG22      VAL  24   5.609   3.828   1.903
  144   HG23  VAL  24          HG23      VAL  24   4.805   2.367   2.478
  145    H    LEU  25           HN       LEU  25   3.524   3.451   4.181
  146    HA   LEU  25           HA       LEU  25   3.035   2.047   6.697
  147    HB2  LEU  25           HB2      LEU  25   1.099   3.224   4.700
  148    HB3  LEU  25           HB1      LEU  25   0.654   2.473   6.222
  149    HG   LEU  25           HG       LEU  25   2.256   5.010   5.890
  150   HD11  LEU  25          HD11      LEU  25  -0.119   5.261   5.391
  151   HD12  LEU  25          HD12      LEU  25   0.316   6.086   6.888
  152   HD13  LEU  25          HD13      LEU  25  -0.526   4.537   6.947
  153   HD21  LEU  25          HD21      LEU  25   2.085   5.182   8.338
  154   HD22  LEU  25          HD22      LEU  25   3.024   3.779   7.834
  155   HD23  LEU  25          HD23      LEU  25   1.363   3.573   8.388
  156    H    ARG  26           HN       ARG  26   1.567   0.197   6.673
  157    HA   ARG  26           HA       ARG  26   2.073  -1.482   4.304
  158    HB2  ARG  26           HB2      ARG  26   2.042  -2.353   7.201
  159    HB3  ARG  26           HB1      ARG  26   2.372  -3.377   5.814
  160    HG2  ARG  26           HG2      ARG  26   4.066  -1.095   6.795
  161    HG3  ARG  26           HG1      ARG  26   4.425  -2.815   6.940
  162    HD2  ARG  26           HD2      ARG  26   4.216  -1.220   4.390
  163    HD3  ARG  26           HD1      ARG  26   5.687  -1.856   5.116
  164    HE   ARG  26           HE       ARG  26   3.532  -3.596   4.107
  165   HH11  ARG  26          HH11      ARG  26   6.926  -2.779   4.427
  166   HH12  ARG  26          HH12      ARG  26   7.466  -4.143   3.502
  167   HH21  ARG  26          HH21      ARG  26   4.250  -5.396   2.897
  168   HH22  ARG  26          HH22      ARG  26   5.948  -5.627   2.630
  169    H    CYS  27           HN       CYS  27   0.415  -2.731   3.566
  170    HA   CYS  27           HA       CYS  27  -2.240  -2.310   4.560
  171    HB2  CYS  27           HB2      CYS  27  -1.614  -2.870   2.149
  172    HB3  CYS  27           HB1      CYS  27  -1.356  -4.534   2.687
  173    H    THR  28           HN       THR  28  -3.449  -3.630   5.899
  174    HA   THR  28           HA       THR  28  -1.946  -5.665   7.347
  175    HB   THR  28           HB       THR  28  -3.940  -5.698   8.859
  176    HG1  THR  28           HG1      THR  28  -5.687  -4.645   8.296
  177   HG21  THR  28          HG21      THR  28  -2.691  -2.993   8.363
  178   HG22  THR  28          HG22      THR  28  -2.018  -4.279   9.363
  179   HG23  THR  28          HG23      THR  28  -3.517  -3.485   9.840
  180    H    HIS  29           HN       HIS  29  -4.346  -5.442   4.913
  181    HA   HIS  29           HA       HIS  29  -5.363  -8.126   5.396
  182    HB2  HIS  29           HB2      HIS  29  -6.076  -6.022   3.350
  183    HB3  HIS  29           HB1      HIS  29  -6.767  -7.640   3.338
  184    HD1  HIS  29           HD1      HIS  29  -8.675  -8.103   4.928
  185    HD2  HIS  29           HD2      HIS  29  -6.850  -4.426   5.606
  186    HE1  HIS  29           HE1      HIS  29 -10.153  -6.903   6.576
  187    HE2  HIS  29           HE2      HIS  29  -9.012  -4.694   6.999
  188    H    CYS  30           HN       CYS  30  -3.030  -6.522   3.452
  189    HA   CYS  30           HA       CYS  30  -2.138  -9.070   2.444
  190    HB2  CYS  30           HB2      CYS  30  -2.281  -8.631   0.150
  191    HB3  CYS  30           HB1      CYS  30  -3.819  -8.032   0.759
  192    H    ALA  31           HN       ALA  31  -0.246  -8.069   0.630
  193    HA   ALA  31           HA       ALA  31   1.497  -6.588   2.452
  194    HB1  ALA  31           HB1      ALA  31   2.294  -8.809   1.740
  195    HB2  ALA  31           HB2      ALA  31   3.368  -7.509   1.224
  196    HB3  ALA  31           HB3      ALA  31   2.270  -8.258   0.065
  197    H    ALA  32           HN       ALA  32   1.646  -4.499   2.048
  198    HA   ALA  32           HA       ALA  32   2.305  -3.530  -0.570
  199    HB1  ALA  32           HB1      ALA  32  -0.302  -2.618   0.648
  200    HB2  ALA  32           HB2      ALA  32  -0.148  -3.666  -0.760
  201    HB3  ALA  32           HB3      ALA  32   0.431  -2.002  -0.831
  202    H    ALA  33           HN       ALA  33   3.412  -1.658  -0.453
  203    HA   ALA  33           HA       ALA  33   3.549  -0.280   2.157
  204    HB1  ALA  33           HB1      ALA  33   5.579  -1.559   1.716
  205    HB2  ALA  33           HB2      ALA  33   5.893   0.176   1.694
  206    HB3  ALA  33           HB3      ALA  33   5.775  -0.718   0.177
  207    H    PHE  34           HN       PHE  34   2.777   1.690   2.049
  208    HA   PHE  34           HA       PHE  34   3.503   3.486  -0.078
  209    HB2  PHE  34           HB2      PHE  34   1.196   4.013  -0.761
  210    HB3  PHE  34           HB1      PHE  34   1.597   2.339  -1.124
  211    HD1  PHE  34           HD2      PHE  34   0.608   0.516   0.176
  212    HD2  PHE  34           HD1      PHE  34  -0.485   4.574   0.846
  213    HE1  PHE  34           HE2      PHE  34  -1.379  -0.228   1.417
  214    HE2  PHE  34           HE1      PHE  34  -2.476   3.837   2.088
  215    HZ   PHE  34           HZ       PHE  34  -2.925   1.434   2.376
  216    H    HIS  35           HN       HIS  35   2.768   5.695   0.393
  217    HA   HIS  35           HA       HIS  35   2.280   6.143   3.236
  218    HB2  HIS  35           HB2      HIS  35   2.634   8.186   1.023
  219    HB3  HIS  35           HB1      HIS  35   2.651   8.504   2.752
  220    HD2  HIS  35           HD2      HIS  35   4.852   6.236   3.631
  221    HE1  HIS  35           HE1      HIS  35   7.312   8.262   0.835
  222    HE2  HIS  35           HE2      HIS  35   7.284   6.857   2.960
  223    H    TRP  36           HN       TRP  36   0.348   6.779   4.029
  224    HA   TRP  36           HA       TRP  36  -1.995   6.233   2.597
  225    HB2  TRP  36           HB2      TRP  36  -1.846   6.140   5.057
  226    HB3  TRP  36           HB1      TRP  36  -1.676   7.890   5.112
  227    HD1  TRP  36           HD1      TRP  36  -3.861   9.305   5.086
  228    HE1  TRP  36           HE1      TRP  36  -6.370   8.738   5.012
  229    HE3  TRP  36           HE3      TRP  36  -3.525   4.315   4.022
  230    HZ2  TRP  36           HZ2      TRP  36  -7.991   6.469   4.560
  231    HZ3  TRP  36           HZ3      TRP  36  -5.604   3.019   3.787
  232    HH2  TRP  36           HH2      TRP  36  -7.788   4.073   4.052
  233    H    ARG  37           HN       ARG  37  -0.304   9.251   3.212
  234    HA   ARG  37           HA       ARG  37  -2.333  10.972   2.218
  235    HB2  ARG  37           HB2      ARG  37   0.648  11.451   2.364
  236    HB3  ARG  37           HB1      ARG  37  -0.588  12.684   2.169
  237    HG2  ARG  37           HG2      ARG  37  -1.476  12.160   4.374
  238    HG3  ARG  37           HG1      ARG  37  -0.254  10.903   4.573
  239    HD2  ARG  37           HD2      ARG  37   1.495  12.648   4.295
  240    HD3  ARG  37           HD1      ARG  37   0.218  13.864   4.269
  241    HE   ARG  37           HE       ARG  37  -0.242  12.533   6.582
  242   HH11  ARG  37          HH11      ARG  37   2.561  14.101   5.199
  243   HH12  ARG  37          HH12      ARG  37   3.264  14.491   6.735
  244   HH21  ARG  37          HH21      ARG  37   0.692  13.036   8.622
  245   HH22  ARG  37          HH22      ARG  37   2.201  13.891   8.677
  246    H    CYS  38           HN       CYS  38  -0.065   8.925   0.688
  247    HA   CYS  38           HA       CYS  38  -0.080  10.411  -1.811
  248    HB2  CYS  38           HB2      CYS  38   1.253   7.789  -1.106
  249    HB3  CYS  38           HB1      CYS  38   1.519   8.727  -2.575
  250    H    HIS  39           HN       HIS  39  -1.671   7.735  -0.335
  251    HA   HIS  39           HA       HIS  39  -2.773   6.851  -2.888
  252    HB2  HIS  39           HB2      HIS  39  -2.597   5.720  -0.176
  253    HB3  HIS  39           HB1      HIS  39  -4.114   5.401  -1.012
  254    HD1  HIS  39           HD1      HIS  39  -3.973   3.130  -1.934
  255    HD2  HIS  39           HD2      HIS  39  -0.409   5.206  -2.419
  256    HE1  HIS  39           HE1      HIS  39  -2.443   1.566  -3.173
  257    HE2  HIS  39           HE2      HIS  39  -0.382   2.931  -3.649
  258    H    PHE  40           HN       PHE  40  -3.741   8.453   0.087
  259    HA   PHE  40           HA       PHE  40  -6.283   9.153  -1.222
  260    HB2  PHE  40           HB2      PHE  40  -5.835   8.499   1.698
  261    HB3  PHE  40           HB1      PHE  40  -7.341   9.101   1.019
  262    HD1  PHE  40           HD1      PHE  40  -5.100   6.226   1.287
  263    HD2  PHE  40           HD2      PHE  40  -8.780   7.669  -0.290
  264    HE1  PHE  40           HE1      PHE  40  -5.799   3.915   0.814
  265    HE2  PHE  40           HE2      PHE  40  -9.486   5.360  -0.762
  266    HZ   PHE  40           HZ       PHE  40  -8.016   3.481  -0.185
  267    HA   PRO  41           HA       PRO  41  -4.020  12.994   0.097
  268    HB2  PRO  41           HB2      PRO  41  -4.432  13.988  -2.589
  269    HB3  PRO  41           HB1      PRO  41  -2.911  13.645  -1.765
  270    HG2  PRO  41           HG2      PRO  41  -3.833  12.197  -3.887
  271    HG3  PRO  41           HG1      PRO  41  -2.767  11.533  -2.636
  272    HD2  PRO  41           HD2      PRO  41  -5.736  11.260  -2.938
  273    HD3  PRO  41           HD1      PRO  41  -4.532  10.037  -2.475
  274    H    ALA  42           HN       ALA  42  -7.059  12.122  -0.828
  275    HA   ALA  42           HA       ALA  42  -8.211  14.748  -1.165
  276    HB1  ALA  42           HB1      ALA  42  -9.099  12.819  -2.392
  277    HB2  ALA  42           HB2      ALA  42 -10.329  13.568  -1.375
  278    HB3  ALA  42           HB3      ALA  42  -9.560  12.065  -0.866
  279    H    GLY  43           HN       GLY  43  -7.027  13.286   1.462
  280    HA2  GLY  43           HA2      GLY  43  -7.245  14.060   3.663
  281    HA3  GLY  43           HA1      GLY  43  -8.776  14.803   3.225
  282    H    THR  44           HN       THR  44  -8.205  11.517   2.346
  283    HA   THR  44           HA       THR  44 -10.405  10.526   3.811
  284    HB   THR  44           HB       THR  44  -8.098   8.881   2.778
  285    HG1  THR  44           HG1      THR  44 -10.356   9.488   1.202
  286   HG21  THR  44          HG21      THR  44  -9.811   7.186   2.401
  287   HG22  THR  44          HG22      THR  44 -11.055   8.290   2.986
  288   HG23  THR  44          HG23      THR  44  -9.817   7.694   4.091
  289    H    SER  45           HN       SER  45 -10.470   9.344   5.732
  290    HA   SER  45           HA       SER  45  -8.287   9.989   7.533
  291    HB2  SER  45           HB2      SER  45 -10.684  10.419   8.139
  292    HB3  SER  45           HB1      SER  45 -10.941   8.675   8.160
  293    HG   SER  45           HG       SER  45  -9.502  10.298   9.928
  294    H    ARG  46           HN       ARG  46  -6.905   8.579   8.368
  295    HA   ARG  46           HA       ARG  46  -6.634   5.991   7.222
  296    HB2  ARG  46           HB2      ARG  46  -4.695   7.322   7.873
  297    HB3  ARG  46           HB1      ARG  46  -5.222   7.308   9.548
  298    HG2  ARG  46           HG2      ARG  46  -4.935   4.851   9.577
  299    HG3  ARG  46           HG1      ARG  46  -4.292   4.945   7.936
  300    HD2  ARG  46           HD2      ARG  46  -2.513   4.848   9.630
  301    HD3  ARG  46           HD1      ARG  46  -2.464   6.343   8.699
  302    HE   ARG  46           HE       ARG  46  -3.738   7.297  10.695
  303   HH11  ARG  46          HH11      ARG  46  -1.337   4.755  10.944
  304   HH12  ARG  46          HH12      ARG  46  -0.915   5.145  12.577
  305   HH21  ARG  46          HH21      ARG  46  -3.171   7.806  12.846
  306   HH22  ARG  46          HH22      ARG  46  -1.946   6.882  13.655
  307    HA   PRO  47           HA       PRO  47  -9.391   4.031  10.161
  308    HB2  PRO  47           HB2      PRO  47  -9.180   1.522   9.159
  309    HB3  PRO  47           HB1      PRO  47 -10.158   2.777   8.394
  310    HG2  PRO  47           HG2      PRO  47  -7.420   1.814   7.683
  311    HG3  PRO  47           HG1      PRO  47  -8.773   2.232   6.617
  312    HD2  PRO  47           HD2      PRO  47  -6.678   3.904   7.097
  313    HD3  PRO  47           HD1      PRO  47  -8.312   4.477   6.705
  314    H    GLY  48           HN       GLY  48  -8.944   3.315  12.142
  315    HA2  GLY  48           HA2      GLY  48  -6.292   2.283  12.743
  316    HA3  GLY  48           HA1      GLY  48  -7.548   2.687  13.908
  317    H    THR  49           HN       THR  49  -9.228   1.012  11.813
  318    HA   THR  49           HA       THR  49  -8.970  -1.462  13.317
  319    HB   THR  49           HB       THR  49 -11.057  -2.056  11.917
  320    HG1  THR  49           HG1      THR  49 -11.479   0.690  11.631
  321   HG21  THR  49          HG21      THR  49 -11.145   0.262  13.853
  322   HG22  THR  49          HG22      THR  49 -11.162  -1.450  14.280
  323   HG23  THR  49          HG23      THR  49 -12.517  -0.746  13.397
  324    H    GLY  50           HN       GLY  50  -6.951  -0.694  11.295
  325    HA2  GLY  50           HA2      GLY  50  -5.739  -2.553  10.206
  326    HA3  GLY  50           HA1      GLY  50  -7.274  -3.005   9.483
  327    H    LEU  51           HN       LEU  51  -4.420  -1.667   8.792
  328    HA   LEU  51           HA       LEU  51  -5.208   0.601   7.222
  329    HB2  LEU  51           HB2      LEU  51  -2.914  -0.016   8.367
  330    HB3  LEU  51           HB1      LEU  51  -2.614  -0.853   6.860
  331    HG   LEU  51           HG       LEU  51  -1.587   1.374   6.896
  332   HD11  LEU  51          HD11      LEU  51  -3.873   1.225   4.942
  333   HD12  LEU  51          HD12      LEU  51  -2.304   0.439   4.751
  334   HD13  LEU  51          HD13      LEU  51  -2.412   2.200   4.776
  335   HD21  LEU  51          HD21      LEU  51  -4.407   2.414   7.100
  336   HD22  LEU  51          HD22      LEU  51  -2.950   3.384   6.884
  337   HD23  LEU  51          HD23      LEU  51  -3.190   2.471   8.374
  338    H    ARG  52           HN       ARG  52  -5.849   0.617   5.146
  339    HA   ARG  52           HA       ARG  52  -5.800  -1.948   3.700
  340    HB2  ARG  52           HB2      ARG  52  -7.778   0.332   3.546
  341    HB3  ARG  52           HB1      ARG  52  -7.795  -1.063   2.481
  342    HG2  ARG  52           HG2      ARG  52  -8.234  -2.524   4.367
  343    HG3  ARG  52           HG1      ARG  52  -8.157  -1.143   5.468
  344    HD2  ARG  52           HD2      ARG  52 -10.058  -0.120   4.343
  345    HD3  ARG  52           HD1      ARG  52 -10.120  -1.459   3.199
  346    HE   ARG  52           HE       ARG  52 -10.371  -2.198   5.984
  347   HH11  ARG  52          HH11      ARG  52 -12.051  -1.284   3.059
  348   HH12  ARG  52          HH12      ARG  52 -13.524  -2.084   3.501
  349   HH21  ARG  52          HH21      ARG  52 -12.333  -3.222   6.592
  350   HH22  ARG  52          HH22      ARG  52 -13.697  -3.148   5.521
  351    H    CYS  53           HN       CYS  53  -4.983  -2.030   1.690
  352    HA   CYS  53           HA       CYS  53  -3.786   0.357   0.544
  353    HB2  CYS  53           HB2      CYS  53  -2.690  -1.112  -0.982
  354    HB3  CYS  53           HB1      CYS  53  -2.648  -1.918   0.581
  355    H    ARG  54           HN       ARG  54  -4.090   0.113  -2.158
  356    HA   ARG  54           HA       ARG  54  -6.736   1.103  -2.439
  357    HB2  ARG  54           HB2      ARG  54  -6.237   1.386  -4.807
  358    HB3  ARG  54           HB1      ARG  54  -4.915   1.974  -3.815
  359    HG2  ARG  54           HG2      ARG  54  -3.637  -0.026  -4.284
  360    HG3  ARG  54           HG1      ARG  54  -4.975  -0.680  -5.226
  361    HD2  ARG  54           HD2      ARG  54  -4.778   1.146  -6.813
  362    HD3  ARG  54           HD1      ARG  54  -3.490   1.868  -5.850
  363    HE   ARG  54           HE       ARG  54  -2.998  -0.840  -6.755
  364   HH11  ARG  54          HH11      ARG  54  -2.643   2.563  -7.438
  365   HH12  ARG  54          HH12      ARG  54  -1.268   2.352  -8.472
  366   HH21  ARG  54          HH21      ARG  54  -1.193  -1.140  -8.141
  367   HH22  ARG  54          HH22      ARG  54  -0.445   0.245  -8.870
  368    H    SER  55           HN       SER  55  -5.227  -1.981  -3.297
  369    HA   SER  55           HA       SER  55  -7.421  -2.953  -4.798
  370    HB2  SER  55           HB2      SER  55  -5.213  -3.928  -5.062
  371    HB3  SER  55           HB1      SER  55  -5.200  -4.435  -3.379
  372    HG   SER  55           HG       SER  55  -6.844  -5.389  -5.482
  373    H    CYS  56           HN       CYS  56  -6.476  -3.371  -1.398
  374    HA   CYS  56           HA       CYS  56  -8.680  -5.067  -0.777
  375    HB2  CYS  56           HB2      CYS  56  -6.847  -3.485   1.030
  376    HB3  CYS  56           HB1      CYS  56  -8.035  -4.651   1.598
  377    H    SER  57           HN       SER  57  -8.395  -1.669  -1.142
  378    HA   SER  57           HA       SER  57 -10.798  -1.155   0.447
  379    HB2  SER  57           HB2      SER  57  -9.056   0.799  -1.076
  380    HB3  SER  57           HB1      SER  57 -10.345   1.211   0.052
  381    HG   SER  57           HG       SER  57  -7.779   0.220   0.541
  382    H    GLY  58           HN       GLY  58  -9.925  -1.885  -2.735
  383    HA2  GLY  58           HA2      GLY  58 -12.278  -0.509  -3.843
  384    HA3  GLY  58           HA1      GLY  58 -10.917  -1.115  -4.778
  385    H    ASP  59           HN       ASP  59 -13.814  -1.989  -3.032
  386    HA   ASP  59           HA       ASP  59 -13.624  -4.759  -3.895
  387    HB2  ASP  59           HB2      ASP  59 -15.585  -5.145  -2.528
  388    HB3  ASP  59           HB1      ASP  59 -14.430  -4.191  -1.604
  389    H    VAL  60           HN       VAL  60 -15.066  -5.751  -5.290
  390    HA   VAL  60           HA       VAL  60 -16.474  -3.913  -7.094
  391    HB   VAL  60           HB       VAL  60 -15.751  -6.815  -7.558
  392   HG11  VAL  60          HG11      VAL  60 -16.236  -6.325  -9.904
  393   HG12  VAL  60          HG12      VAL  60 -16.705  -4.683  -9.467
  394   HG13  VAL  60          HG13      VAL  60 -17.650  -6.053  -8.886
  395   HG21  VAL  60          HG21      VAL  60 -13.733  -5.478  -7.332
  396   HG22  VAL  60          HG22      VAL  60 -14.350  -4.317  -8.506
  397   HG23  VAL  60          HG23      VAL  60 -13.965  -5.961  -9.013
  398    H    THR  61           HN       THR  61 -18.645  -3.918  -7.203
  399    HA   THR  61           HA       THR  61 -20.159  -5.694  -5.517
  400    HB   THR  61           HB       THR  61 -22.127  -4.464  -6.677
  401    HG1  THR  61           HG1      THR  61 -21.633  -2.858  -7.995
  402   HG21  THR  61          HG21      THR  61 -21.422  -4.004  -4.392
  403   HG22  THR  61          HG22      THR  61 -21.821  -2.502  -5.223
  404   HG23  THR  61          HG23      THR  61 -20.135  -2.955  -4.984
  405    HA   PRO  62           HA       PRO  62 -20.495  -8.813  -8.664
  406    HB2  PRO  62           HB2      PRO  62 -22.405 -10.321  -7.422
  407    HB3  PRO  62           HB1      PRO  62 -20.691 -10.370  -6.994
  408    HG2  PRO  62           HG2      PRO  62 -22.935  -8.898  -5.674
  409    HG3  PRO  62           HG1      PRO  62 -21.591  -9.790  -4.935
  410    HD2  PRO  62           HD2      PRO  62 -21.605  -7.098  -5.120
  411    HD3  PRO  62           HD1      PRO  62 -20.108  -8.045  -5.227
  412    H    ALA  63           HN       ALA  63 -21.683  -8.892 -10.471
  413    HA   ALA  63           HA       ALA  63 -24.084  -7.295 -10.631
  414    HB1  ALA  63           HB1      ALA  63 -22.754  -8.933 -12.785
  415    HB2  ALA  63           HB2      ALA  63 -22.368  -7.256 -12.417
  416    HB3  ALA  63           HB3      ALA  63 -23.972  -7.678 -13.011
  417    HA   PRO  64           HA       PRO  64 -26.763 -10.790 -10.051
  418    HB2  PRO  64           HB2      PRO  64 -29.108  -9.580 -10.530
  419    HB3  PRO  64           HB1      PRO  64 -28.159  -9.217  -9.083
  420    HG2  PRO  64           HG2      PRO  64 -28.390  -7.674 -11.637
  421    HG3  PRO  64           HG1      PRO  64 -28.368  -7.078  -9.967
  422    HD2  PRO  64           HD2      PRO  64 -26.182  -7.069 -11.635
  423    HD3  PRO  64           HD1      PRO  64 -26.084  -7.103  -9.864
  424    H    VAL  65           HN       VAL  65 -25.429 -10.763 -12.535
  425    HA   VAL  65           HA       VAL  65 -27.462 -10.942 -14.610
  426    HB   VAL  65           HB       VAL  65 -24.471 -11.340 -14.803
  427   HG11  VAL  65          HG11      VAL  65 -24.792 -11.102 -17.207
  428   HG12  VAL  65          HG12      VAL  65 -26.533 -10.964 -16.969
  429   HG13  VAL  65          HG13      VAL  65 -25.708 -12.474 -16.583
  430   HG21  VAL  65          HG21      VAL  65 -25.054  -9.071 -14.128
  431   HG22  VAL  65          HG22      VAL  65 -26.160  -8.939 -15.495
  432   HG23  VAL  65          HG23      VAL  65 -24.426  -9.101 -15.775
  433    H    GLU  66           HN       GLU  66 -28.579 -12.775 -14.661
  434    HA   GLU  66           HA       GLU  66 -27.199 -15.295 -14.073
  435    HB2  GLU  66           HB2      GLU  66 -30.170 -14.737 -14.213
  436    HB3  GLU  66           HB1      GLU  66 -29.420 -16.248 -13.717
  437    HG2  GLU  66           HG2      GLU  66 -29.214 -13.607 -12.286
  438    HG3  GLU  66           HG1      GLU  66 -30.190 -14.991 -11.794
  Start of MODEL   47
    1    H1   GLY   1           HT1      GLY   1  28.623 -16.659 -13.944
    2    H2   GLY   1           HT2      GLY   1  28.305 -16.018 -15.476
    3    H3   GLY   1           HT3      GLY   1  27.112 -15.981 -14.280
    4    HA2  GLY   1           HA1      GLY   1  29.687 -14.514 -14.201
    5    HA3  GLY   1           HA2      GLY   1  28.117 -13.804 -14.557
    6    H    ALA   2           HN       ALA   2  29.238 -12.564 -12.614
    7    HA   ALA   2           HA       ALA   2  28.704 -13.805 -10.048
    8    HB1  ALA   2           HB1      ALA   2  29.654 -11.019 -10.702
    9    HB2  ALA   2           HB2      ALA   2  30.687 -12.399 -10.336
   10    HB3  ALA   2           HB3      ALA   2  29.610 -11.750  -9.100
   11    H    MET   3           HN       MET   3  27.145 -11.684 -12.278
   12    HA   MET   3           HA       MET   3  25.397 -10.438 -10.398
   13    HB2  MET   3           HB2      MET   3  24.212  -9.557 -12.324
   14    HB3  MET   3           HB1      MET   3  25.941  -9.385 -12.560
   15    HG2  MET   3           HG2      MET   3  24.232 -11.539 -13.787
   16    HG3  MET   3           HG1      MET   3  24.741 -10.060 -14.596
   17    HE1  MET   3           HE1      MET   3  26.858 -12.785 -16.421
   18    HE2  MET   3           HE2      MET   3  25.740 -11.435 -16.613
   19    HE3  MET   3           HE3      MET   3  25.199 -12.926 -15.842
   20    H    GLU   4           HN       GLU   4  23.681 -11.242  -9.467
   21    HA   GLU   4           HA       GLU   4  22.545 -13.747 -10.492
   22    HB2  GLU   4           HB2      GLU   4  23.396 -13.778  -8.174
   23    HB3  GLU   4           HB1      GLU   4  22.304 -12.464  -7.761
   24    HG2  GLU   4           HG2      GLU   4  21.369 -14.507  -6.969
   25    HG3  GLU   4           HG1      GLU   4  20.395 -13.937  -8.322
   26    H    GLY   5           HN       GLY   5  21.574 -10.670  -9.028
   27    HA2  GLY   5           HA2      GLY   5  19.605 -10.000 -10.846
   28    HA3  GLY   5           HA1      GLY   5  18.814 -10.979  -9.618
   29    H    GLN   6           HN       GLN   6  20.823  -8.109 -10.074
   30    HA   GLN   6           HA       GLN   6  20.397  -7.114  -7.438
   31    HB2  GLN   6           HB2      GLN   6  22.328  -6.519  -8.937
   32    HB3  GLN   6           HB1      GLN   6  21.213  -5.558  -9.898
   33    HG2  GLN   6           HG2      GLN   6  22.501  -4.188  -8.348
   34    HG3  GLN   6           HG1      GLN   6  20.774  -4.118  -8.005
   35   HE21  GLN   6          HE21      GLN   6  21.171  -3.445  -5.892
   36   HE22  GLN   6          HE22      GLN   6  21.748  -4.533  -4.675
   37    H    GLN   7           HN       GLN   7  18.702  -6.922 -10.454
   38    HA   GLN   7           HA       GLN   7  16.964  -4.769  -9.630
   39    HB2  GLN   7           HB2      GLN   7  15.763  -5.243 -11.738
   40    HB3  GLN   7           HB1      GLN   7  17.485  -4.994 -11.982
   41    HG2  GLN   7           HG2      GLN   7  17.837  -7.373 -12.197
   42    HG3  GLN   7           HG1      GLN   7  16.142  -7.682 -11.835
   43   HE21  GLN   7          HE21      GLN   7  18.387  -6.420 -14.181
   44   HE22  GLN   7          HE22      GLN   7  17.308  -6.473 -15.532
   45    H    ASN   8           HN       ASN   8  17.162  -7.615  -8.321
   46    HA   ASN   8           HA       ASN   8  14.325  -8.306  -8.383
   47    HB2  ASN   8           HB2      ASN   8  16.712  -9.649  -7.106
   48    HB3  ASN   8           HB1      ASN   8  15.058 -10.182  -6.836
   49   HD21  ASN   8          HD21      ASN   8  17.249 -11.625  -8.038
   50   HD22  ASN   8          HD22      ASN   8  16.739 -12.045  -9.637
   51    H    LEU   9           HN       LEU   9  15.753  -5.914  -7.088
   52    HA   LEU   9           HA       LEU   9  15.414  -6.081  -4.296
   53    HB2  LEU   9           HB2      LEU   9  16.682  -4.343  -5.755
   54    HB3  LEU   9           HB1      LEU   9  15.133  -3.542  -5.886
   55    HG   LEU   9           HG       LEU   9  16.608  -2.553  -4.167
   56   HD11  LEU   9          HD11      LEU   9  14.101  -3.810  -3.070
   57   HD12  LEU   9          HD12      LEU   9  14.212  -2.281  -3.940
   58   HD13  LEU   9          HD13      LEU   9  14.969  -2.450  -2.357
   59   HD21  LEU   9          HD21      LEU   9  17.726  -4.625  -3.478
   60   HD22  LEU   9          HD22      LEU   9  16.233  -5.159  -2.705
   61   HD23  LEU   9          HD23      LEU   9  17.071  -3.727  -2.110
   62    H    ALA  10           HN       ALA  10  13.495  -6.751  -3.547
   63    HA   ALA  10           HA       ALA  10  11.007  -6.153  -4.782
   64    HB1  ALA  10           HB1      ALA  10  11.563  -7.252  -2.029
   65    HB2  ALA  10           HB2      ALA  10  11.369  -8.204  -3.501
   66    HB3  ALA  10           HB3      ALA  10  10.010  -7.279  -2.864
   67    HA   PRO  11           HA       PRO  11  10.372  -2.156  -2.844
   68    HB2  PRO  11           HB2      PRO  11   7.644  -2.383  -3.879
   69    HB3  PRO  11           HB1      PRO  11   8.897  -1.210  -4.284
   70    HG2  PRO  11           HG2      PRO  11   8.107  -3.110  -6.018
   71    HG3  PRO  11           HG1      PRO  11   9.781  -2.530  -5.950
   72    HD2  PRO  11           HD2      PRO  11   8.596  -5.032  -4.801
   73    HD3  PRO  11           HD1      PRO  11  10.132  -4.803  -5.662
   74    H    GLY  12           HN       GLY  12  10.254  -4.218  -1.031
   75    HA2  GLY  12           HA2      GLY  12   7.690  -4.439   0.222
   76    HA3  GLY  12           HA1      GLY  12   9.237  -4.888   0.929
   77    H    ALA  13           HN       ALA  13  10.399  -2.271   0.488
   78    HA   ALA  13           HA       ALA  13   8.782  -0.593   2.284
   79    HB1  ALA  13           HB1      ALA  13  11.790  -0.867   2.301
   80    HB2  ALA  13           HB2      ALA  13  10.689  -1.517   3.515
   81    HB3  ALA  13           HB3      ALA  13  10.847   0.228   3.313
   82    H    ARG  14           HN       ARG  14   7.993   0.217   0.197
   83    HA   ARG  14           HA       ARG  14   9.428   2.520  -0.685
   84    HB2  ARG  14           HB2      ARG  14  10.663   0.802  -1.914
   85    HB3  ARG  14           HB1      ARG  14   9.162   0.186  -2.585
   86    HG2  ARG  14           HG2      ARG  14   8.828   2.209  -3.835
   87    HG3  ARG  14           HG1      ARG  14  10.232   2.957  -3.067
   88    HD2  ARG  14           HD2      ARG  14  10.244   0.548  -4.878
   89    HD3  ARG  14           HD1      ARG  14  10.811   2.168  -5.285
   90    HE   ARG  14           HE       ARG  14  12.131   1.086  -2.990
   91   HH11  ARG  14          HH11      ARG  14  12.092   1.060  -6.484
   92   HH12  ARG  14          HH12      ARG  14  13.776   0.671  -6.628
   93   HH21  ARG  14          HH21      ARG  14  14.340   0.555  -3.162
   94   HH22  ARG  14          HH22      ARG  14  15.056   0.376  -4.735
   95    H    CYS  15           HN       CYS  15   7.778   3.890  -0.732
   96    HA   CYS  15           HA       CYS  15   5.106   3.209  -1.431
   97    HB2  CYS  15           HB2      CYS  15   5.447   5.101  -0.018
   98    HB3  CYS  15           HB1      CYS  15   6.584   5.826  -1.143
   99    H    GLY  16           HN       GLY  16   4.256   2.935  -3.389
  100    HA2  GLY  16           HA2      GLY  16   5.858   2.873  -5.688
  101    HA3  GLY  16           HA1      GLY  16   4.108   2.744  -5.664
  102    H    VAL  17           HN       VAL  17   3.974   5.447  -4.347
  103    HA   VAL  17           HA       VAL  17   3.894   6.959  -6.811
  104    HB   VAL  17           HB       VAL  17   3.170   7.801  -3.996
  105   HG11  VAL  17          HG11      VAL  17   3.634   9.716  -5.427
  106   HG12  VAL  17          HG12      VAL  17   1.909   9.604  -5.068
  107   HG13  VAL  17          HG13      VAL  17   2.518   9.093  -6.643
  108   HG21  VAL  17          HG21      VAL  17   0.844   7.434  -4.717
  109   HG22  VAL  17          HG22      VAL  17   1.794   5.948  -4.727
  110   HG23  VAL  17          HG23      VAL  17   1.437   6.776  -6.242
  111    H    CYS  18           HN       CYS  18   5.879   6.779  -3.951
  112    HA   CYS  18           HA       CYS  18   7.190   9.303  -4.637
  113    HB2  CYS  18           HB2      CYS  18   7.269   7.630  -2.129
  114    HB3  CYS  18           HB1      CYS  18   8.259   9.064  -2.379
  115    H    GLY  19           HN       GLY  19   7.892   5.872  -4.189
  116    HA2  GLY  19           HA2      GLY  19   9.711   4.733  -5.177
  117    HA3  GLY  19           HA1      GLY  19  10.519   6.278  -5.420
  118    H    ASP  20           HN       ASP  20   9.638   6.883  -2.551
  119    HA   ASP  20           HA       ASP  20  12.027   5.794  -1.290
  120    HB2  ASP  20           HB2      ASP  20  10.106   7.965  -0.415
  121    HB3  ASP  20           HB1      ASP  20  11.524   7.461   0.500
  122    H    GLY  21           HN       GLY  21  11.995   4.687   0.660
  123    HA2  GLY  21           HA2      GLY  21   9.376   3.538   1.401
  124    HA3  GLY  21           HA1      GLY  21  10.938   2.777   1.692
  125    H    THR  22           HN       THR  22  10.910   6.105   2.251
  126    HA   THR  22           HA       THR  22  11.340   5.782   5.053
  127    HB   THR  22           HB       THR  22  10.896   8.351   3.522
  128    HG1  THR  22           HG1      THR  22  13.476   7.875   3.957
  129   HG21  THR  22          HG21      THR  22  10.847   8.588   5.961
  130   HG22  THR  22          HG22      THR  22  12.296   9.329   5.284
  131   HG23  THR  22          HG23      THR  22  12.399   7.759   6.077
  132    H    ASP  23           HN       ASP  23   9.873   5.781   6.617
  133    HA   ASP  23           HA       ASP  23   7.871   5.791   7.692
  134    HB2  ASP  23           HB2      ASP  23   7.722   8.352   6.124
  135    HB3  ASP  23           HB1      ASP  23   6.373   7.836   7.127
  136    H    VAL  24           HN       VAL  24   7.931   4.043   5.597
  137    HA   VAL  24           HA       VAL  24   5.606   4.521   3.925
  138    HB   VAL  24           HB       VAL  24   7.745   3.524   3.022
  139   HG11  VAL  24          HG11      VAL  24   6.802   1.070   4.476
  140   HG12  VAL  24          HG12      VAL  24   8.268   1.988   4.813
  141   HG13  VAL  24          HG13      VAL  24   8.101   1.126   3.285
  142   HG21  VAL  24          HG21      VAL  24   6.656   2.100   1.472
  143   HG22  VAL  24          HG22      VAL  24   5.567   3.429   1.870
  144   HG23  VAL  24          HG23      VAL  24   5.311   1.836   2.582
  145    H    LEU  25           HN       LEU  25   3.692   3.485   4.074
  146    HA   LEU  25           HA       LEU  25   3.243   1.994   6.542
  147    HB2  LEU  25           HB2      LEU  25   1.226   3.075   4.571
  148    HB3  LEU  25           HB1      LEU  25   0.882   2.425   6.161
  149    HG   LEU  25           HG       LEU  25   2.359   4.985   5.552
  150   HD11  LEU  25          HD11      LEU  25  -0.319   4.461   6.825
  151   HD12  LEU  25          HD12      LEU  25  -0.038   5.137   5.221
  152   HD13  LEU  25          HD13      LEU  25   0.449   6.040   6.655
  153   HD21  LEU  25          HD21      LEU  25   2.382   5.334   7.980
  154   HD22  LEU  25          HD22      LEU  25   3.326   3.921   7.511
  155   HD23  LEU  25          HD23      LEU  25   1.722   3.717   8.212
  156    H    ARG  26           HN       ARG  26   1.887   0.091   6.487
  157    HA   ARG  26           HA       ARG  26   2.259  -1.470   4.019
  158    HB2  ARG  26           HB2      ARG  26   2.547  -2.357   6.897
  159    HB3  ARG  26           HB1      ARG  26   2.572  -3.444   5.518
  160    HG2  ARG  26           HG2      ARG  26   4.515  -1.179   5.867
  161    HG3  ARG  26           HG1      ARG  26   4.814  -2.819   6.443
  162    HD2  ARG  26           HD2      ARG  26   4.158  -2.154   3.578
  163    HD3  ARG  26           HD1      ARG  26   5.805  -2.262   4.199
  164    HE   ARG  26           HE       ARG  26   4.628  -4.624   4.926
  165   HH11  ARG  26          HH11      ARG  26   5.151  -2.957   1.897
  166   HH12  ARG  26          HH12      ARG  26   5.264  -4.417   0.969
  167   HH21  ARG  26          HH21      ARG  26   4.768  -6.543   3.707
  168   HH22  ARG  26          HH22      ARG  26   5.046  -6.455   1.994
  169    H    CYS  27           HN       CYS  27   0.644  -3.009   3.544
  170    HA   CYS  27           HA       CYS  27  -1.976  -2.246   4.492
  171    HB2  CYS  27           HB2      CYS  27  -1.368  -2.826   2.070
  172    HB3  CYS  27           HB1      CYS  27  -1.350  -4.517   2.584
  173    H    THR  28           HN       THR  28  -3.385  -3.518   5.662
  174    HA   THR  28           HA       THR  28  -2.120  -5.534   7.320
  175    HB   THR  28           HB       THR  28  -4.354  -5.506   8.512
  176    HG1  THR  28           HG1      THR  28  -4.890  -3.114   7.119
  177   HG21  THR  28          HG21      THR  28  -2.443  -4.196   9.302
  178   HG22  THR  28          HG22      THR  28  -3.956  -3.327   9.561
  179   HG23  THR  28          HG23      THR  28  -2.898  -2.876   8.224
  180    H    HIS  29           HN       HIS  29  -4.213  -5.421   4.595
  181    HA   HIS  29           HA       HIS  29  -5.142  -8.156   5.093
  182    HB2  HIS  29           HB2      HIS  29  -6.121  -6.013   3.212
  183    HB3  HIS  29           HB1      HIS  29  -6.666  -7.684   3.106
  184    HD1  HIS  29           HD1      HIS  29  -8.846  -7.982   4.226
  185    HD2  HIS  29           HD2      HIS  29  -6.518  -5.115   6.136
  186    HE1  HIS  29           HE1      HIS  29 -10.219  -7.172   6.169
  187    HE2  HIS  29           HE2      HIS  29  -8.701  -5.603   7.422
  188    H    CYS  30           HN       CYS  30  -2.896  -6.404   3.229
  189    HA   CYS  30           HA       CYS  30  -2.044  -8.859   1.967
  190    HB2  CYS  30           HB2      CYS  30  -2.192  -8.189  -0.272
  191    HB3  CYS  30           HB1      CYS  30  -3.715  -7.624   0.403
  192    H    ALA  31           HN       ALA  31  -0.107  -7.885   0.315
  193    HA   ALA  31           HA       ALA  31   1.655  -6.473   2.171
  194    HB1  ALA  31           HB1      ALA  31   2.414  -8.695   1.477
  195    HB2  ALA  31           HB2      ALA  31   3.507  -7.430   0.914
  196    HB3  ALA  31           HB3      ALA  31   2.372  -8.175  -0.209
  197    H    ALA  32           HN       ALA  32   1.896  -4.366   1.764
  198    HA   ALA  32           HA       ALA  32   2.454  -3.435  -0.905
  199    HB1  ALA  32           HB1      ALA  32   0.616  -1.838  -1.044
  200    HB2  ALA  32           HB2      ALA  32  -0.041  -2.440   0.478
  201    HB3  ALA  32           HB3      ALA  32  -0.004  -3.485  -0.941
  202    H    ALA  33           HN       ALA  33   3.810  -1.768  -0.817
  203    HA   ALA  33           HA       ALA  33   4.143  -0.326   1.738
  204    HB1  ALA  33           HB1      ALA  33   6.380   0.192   0.998
  205    HB2  ALA  33           HB2      ALA  33   6.072  -0.559  -0.566
  206    HB3  ALA  33           HB3      ALA  33   6.118  -1.549   0.893
  207    H    PHE  34           HN       PHE  34   3.132   1.557   1.761
  208    HA   PHE  34           HA       PHE  34   3.466   3.446  -0.391
  209    HB2  PHE  34           HB2      PHE  34   1.078   3.738  -0.850
  210    HB3  PHE  34           HB1      PHE  34   1.577   2.093  -1.228
  211    HD1  PHE  34           HD2      PHE  34   1.009   0.250   0.379
  212    HD2  PHE  34           HD1      PHE  34  -0.612   4.171   0.728
  213    HE1  PHE  34           HE2      PHE  34  -0.778  -0.619   1.829
  214    HE2  PHE  34           HE1      PHE  34  -2.403   3.305   2.173
  215    HZ   PHE  34           HZ       PHE  34  -2.487   0.906   2.726
  216    H    HIS  35           HN       HIS  35   2.501   5.556   0.174
  217    HA   HIS  35           HA       HIS  35   2.222   5.886   3.075
  218    HB2  HIS  35           HB2      HIS  35   2.480   8.009   0.924
  219    HB3  HIS  35           HB1      HIS  35   2.435   8.304   2.654
  220    HD2  HIS  35           HD2      HIS  35   4.689   6.181   3.619
  221    HE1  HIS  35           HE1      HIS  35   7.154   8.215   0.840
  222    HE2  HIS  35           HE2      HIS  35   7.118   6.869   2.996
  223    H    TRP  36           HN       TRP  36   0.292   6.607   3.974
  224    HA   TRP  36           HA       TRP  36  -2.081   5.935   2.687
  225    HB2  TRP  36           HB2      TRP  36  -1.882   6.130   5.131
  226    HB3  TRP  36           HB1      TRP  36  -1.709   7.875   4.983
  227    HD1  TRP  36           HD1      TRP  36  -3.879   9.199   5.286
  228    HE1  TRP  36           HE1      TRP  36  -6.394   8.676   5.175
  229    HE3  TRP  36           HE3      TRP  36  -3.623   4.327   3.747
  230    HZ2  TRP  36           HZ2      TRP  36  -8.050   6.484   4.520
  231    HZ3  TRP  36           HZ3      TRP  36  -5.719   3.091   3.406
  232    HH2  TRP  36           HH2      TRP  36  -7.888   4.147   3.784
  233    H    ARG  37           HN       ARG  37  -0.565   9.104   3.100
  234    HA   ARG  37           HA       ARG  37  -2.626  10.612   1.892
  235    HB2  ARG  37           HB2      ARG  37   0.298  11.193   2.325
  236    HB3  ARG  37           HB1      ARG  37  -0.836  12.372   1.685
  237    HG2  ARG  37           HG2      ARG  37  -2.150  12.226   3.735
  238    HG3  ARG  37           HG1      ARG  37  -1.010  11.043   4.378
  239    HD2  ARG  37           HD2      ARG  37  -0.598  13.335   5.208
  240    HD3  ARG  37           HD1      ARG  37   0.772  12.659   4.326
  241    HE   ARG  37           HE       ARG  37  -1.035  14.268   2.739
  242   HH11  ARG  37          HH11      ARG  37   1.862  14.220   4.709
  243   HH12  ARG  37          HH12      ARG  37   2.520  15.660   4.001
  244   HH21  ARG  37          HH21      ARG  37  -0.176  16.151   1.798
  245   HH22  ARG  37          HH22      ARG  37   1.356  16.766   2.338
  246    H    CYS  38           HN       CYS  38  -0.216   8.620   0.526
  247    HA   CYS  38           HA       CYS  38  -0.178  10.009  -2.009
  248    HB2  CYS  38           HB2      CYS  38   1.130   7.425  -1.136
  249    HB3  CYS  38           HB1      CYS  38   1.389   8.214  -2.696
  250    H    HIS  39           HN       HIS  39  -1.956   7.505  -0.501
  251    HA   HIS  39           HA       HIS  39  -3.123   6.703  -3.070
  252    HB2  HIS  39           HB2      HIS  39  -3.063   5.469  -0.355
  253    HB3  HIS  39           HB1      HIS  39  -4.430   5.112  -1.404
  254    HD1  HIS  39           HD1      HIS  39  -4.098   3.030  -2.652
  255    HD2  HIS  39           HD2      HIS  39  -0.500   4.998  -1.999
  256    HE1  HIS  39           HE1      HIS  39  -2.323   1.533  -3.631
  257    HE2  HIS  39           HE2      HIS  39  -0.174   2.818  -3.356
  258    H    PHE  40           HN       PHE  40  -3.928   8.160   0.030
  259    HA   PHE  40           HA       PHE  40  -6.482   9.073  -1.120
  260    HB2  PHE  40           HB2      PHE  40  -5.930   8.151   1.711
  261    HB3  PHE  40           HB1      PHE  40  -7.407   8.967   1.212
  262    HD1  PHE  40           HD1      PHE  40  -5.454   5.874   0.988
  263    HD2  PHE  40           HD2      PHE  40  -9.101   7.813  -0.034
  264    HE1  PHE  40           HE1      PHE  40  -6.431   3.702   0.369
  265    HE2  PHE  40           HE2      PHE  40 -10.086   5.644  -0.654
  266    HZ   PHE  40           HZ       PHE  40  -8.776   3.583  -0.402
  267    HA   PRO  41           HA       PRO  41  -5.068  13.195  -0.182
  268    HB2  PRO  41           HB2      PRO  41  -7.881  13.713   0.621
  269    HB3  PRO  41           HB1      PRO  41  -6.878  14.553  -0.566
  270    HG2  PRO  41           HG2      PRO  41  -8.830  12.919  -1.348
  271    HG3  PRO  41           HG1      PRO  41  -7.285  12.981  -2.222
  272    HD2  PRO  41           HD2      PRO  41  -8.284  10.945  -0.272
  273    HD3  PRO  41           HD1      PRO  41  -7.353  10.715  -1.766
  274    H    ALA  42           HN       ALA  42  -4.755  14.595   1.581
  275    HA   ALA  42           HA       ALA  42  -4.304  13.237   4.009
  276    HB1  ALA  42           HB1      ALA  42  -3.512  15.383   4.858
  277    HB2  ALA  42           HB2      ALA  42  -4.214  16.200   3.461
  278    HB3  ALA  42           HB3      ALA  42  -2.885  15.063   3.242
  279    H    GLY  43           HN       GLY  43  -7.112  14.708   2.848
  280    HA2  GLY  43           HA2      GLY  43  -8.182  15.306   5.487
  281    HA3  GLY  43           HA1      GLY  43  -9.008  15.522   3.950
  282    H    THR  44           HN       THR  44  -7.725  12.546   3.741
  283    HA   THR  44           HA       THR  44 -10.236  11.274   4.485
  284    HB   THR  44           HB       THR  44  -7.805  10.063   3.145
  285    HG1  THR  44           HG1      THR  44  -9.329  11.896   2.167
  286   HG21  THR  44          HG21      THR  44  -9.383   8.336   2.397
  287   HG22  THR  44          HG22      THR  44 -10.673   9.120   3.308
  288   HG23  THR  44          HG23      THR  44  -9.300   8.408   4.158
  289    H    SER  45           HN       SER  45 -10.431   9.714   6.059
  290    HA   SER  45           HA       SER  45  -8.392   9.836   8.118
  291    HB2  SER  45           HB2      SER  45 -10.148   8.639   9.476
  292    HB3  SER  45           HB1      SER  45 -10.652  10.209   8.846
  293    HG   SER  45           HG       SER  45 -11.179   7.796   7.459
  294    H    ARG  46           HN       ARG  46  -7.103   8.210   8.722
  295    HA   ARG  46           HA       ARG  46  -7.022   5.866   7.015
  296    HB2  ARG  46           HB2      ARG  46  -4.855   5.436   8.150
  297    HB3  ARG  46           HB1      ARG  46  -4.933   7.010   7.378
  298    HG2  ARG  46           HG2      ARG  46  -5.285   8.085   9.503
  299    HG3  ARG  46           HG1      ARG  46  -5.369   6.522  10.317
  300    HD2  ARG  46           HD2      ARG  46  -3.061   6.071   9.731
  301    HD3  ARG  46           HD1      ARG  46  -2.966   7.586   8.836
  302    HE   ARG  46           HE       ARG  46  -3.698   8.344  11.347
  303   HH11  ARG  46          HH11      ARG  46  -1.074   6.405  10.077
  304   HH12  ARG  46          HH12      ARG  46   0.051   6.905  11.298
  305   HH21  ARG  46          HH21      ARG  46  -2.226   8.992  12.966
  306   HH22  ARG  46          HH22      ARG  46  -0.604   8.375  12.946
  307    HA   PRO  47           HA       PRO  47  -8.969   3.185  10.038
  308    HB2  PRO  47           HB2      PRO  47  -7.497   1.067   8.605
  309    HB3  PRO  47           HB1      PRO  47  -9.233   1.246   8.864
  310    HG2  PRO  47           HG2      PRO  47  -8.104   1.643   6.458
  311    HG3  PRO  47           HG1      PRO  47  -9.509   2.576   7.005
  312    HD2  PRO  47           HD2      PRO  47  -6.638   3.383   6.862
  313    HD3  PRO  47           HD1      PRO  47  -8.103   4.337   6.554
  314    H    GLY  48           HN       GLY  48  -8.276   2.539  11.981
  315    HA2  GLY  48           HA2      GLY  48  -5.498   2.936  12.610
  316    HA3  GLY  48           HA1      GLY  48  -6.787   2.578  13.745
  317    H    THR  49           HN       THR  49  -7.723   0.153  12.904
  318    HA   THR  49           HA       THR  49  -5.423  -1.485  13.649
  319    HB   THR  49           HB       THR  49  -7.457  -1.606  15.056
  320    HG1  THR  49           HG1      THR  49  -6.666  -3.520  15.425
  321   HG21  THR  49          HG21      THR  49  -8.682  -2.818  12.586
  322   HG22  THR  49          HG22      THR  49  -9.171  -1.326  13.387
  323   HG23  THR  49          HG23      THR  49  -9.399  -2.876  14.194
  324    H    GLY  50           HN       GLY  50  -7.388  -0.809  10.962
  325    HA2  GLY  50           HA2      GLY  50  -6.245  -3.139   9.565
  326    HA3  GLY  50           HA1      GLY  50  -7.935  -2.706   9.363
  327    H    LEU  51           HN       LEU  51  -4.706  -1.205   9.133
  328    HA   LEU  51           HA       LEU  51  -5.437   0.791   7.292
  329    HB2  LEU  51           HB2      LEU  51  -3.288   0.530   8.691
  330    HB3  LEU  51           HB1      LEU  51  -2.722  -0.518   7.410
  331    HG   LEU  51           HG       LEU  51  -1.866   1.830   7.307
  332   HD11  LEU  51          HD11      LEU  51  -2.197   2.116   4.911
  333   HD12  LEU  51          HD12      LEU  51  -3.515   0.945   4.949
  334   HD13  LEU  51          HD13      LEU  51  -1.868   0.432   5.321
  335   HD21  LEU  51          HD21      LEU  51  -3.922   2.934   8.071
  336   HD22  LEU  51          HD22      LEU  51  -4.703   2.501   6.550
  337   HD23  LEU  51          HD23      LEU  51  -3.325   3.600   6.553
  338    H    ARG  52           HN       ARG  52  -5.958   0.660   5.188
  339    HA   ARG  52           HA       ARG  52  -5.438  -1.893   3.809
  340    HB2  ARG  52           HB2      ARG  52  -7.916  -0.164   3.694
  341    HB3  ARG  52           HB1      ARG  52  -7.634  -1.575   2.684
  342    HG2  ARG  52           HG2      ARG  52  -7.684  -3.028   4.581
  343    HG3  ARG  52           HG1      ARG  52  -7.727  -1.656   5.692
  344    HD2  ARG  52           HD2      ARG  52  -9.867  -2.383   3.691
  345    HD3  ARG  52           HD1      ARG  52  -9.936  -2.677   5.428
  346    HE   ARG  52           HE       ARG  52  -9.540   0.084   4.641
  347   HH11  ARG  52          HH11      ARG  52 -11.834  -2.402   5.540
  348   HH12  ARG  52          HH12      ARG  52 -13.075  -1.273   5.979
  349   HH21  ARG  52          HH21      ARG  52 -11.167   1.572   5.219
  350   HH22  ARG  52          HH22      ARG  52 -12.698   0.988   5.794
  351    H    CYS  53           HN       CYS  53  -4.748  -1.811   1.748
  352    HA   CYS  53           HA       CYS  53  -3.923   0.713   0.642
  353    HB2  CYS  53           HB2      CYS  53  -2.850  -0.575  -1.063
  354    HB3  CYS  53           HB1      CYS  53  -2.626  -1.459   0.443
  355    H    ARG  54           HN       ARG  54  -4.365   0.548  -2.046
  356    HA   ARG  54           HA       ARG  54  -6.989   1.564  -2.218
  357    HB2  ARG  54           HB2      ARG  54  -5.315   2.372  -3.739
  358    HB3  ARG  54           HB1      ARG  54  -5.029   0.760  -4.366
  359    HG2  ARG  54           HG2      ARG  54  -7.168   0.721  -5.435
  360    HG3  ARG  54           HG1      ARG  54  -7.627   2.242  -4.668
  361    HD2  ARG  54           HD2      ARG  54  -5.327   1.915  -6.586
  362    HD3  ARG  54           HD1      ARG  54  -6.930   2.494  -7.035
  363    HE   ARG  54           HE       ARG  54  -6.464   4.306  -5.304
  364   HH11  ARG  54          HH11      ARG  54  -3.971   2.812  -7.259
  365   HH12  ARG  54          HH12      ARG  54  -2.923   4.190  -7.199
  366   HH21  ARG  54          HH21      ARG  54  -5.096   6.120  -5.237
  367   HH22  ARG  54          HH22      ARG  54  -3.555   6.072  -6.043
  368    H    SER  55           HN       SER  55  -5.593  -1.500  -3.378
  369    HA   SER  55           HA       SER  55  -7.956  -2.399  -4.617
  370    HB2  SER  55           HB2      SER  55  -5.703  -3.303  -5.115
  371    HB3  SER  55           HB1      SER  55  -5.686  -4.076  -3.532
  372    HG   SER  55           HG       SER  55  -7.920  -4.852  -4.568
  373    H    CYS  56           HN       CYS  56  -6.648  -2.986  -1.364
  374    HA   CYS  56           HA       CYS  56  -8.702  -4.830  -0.659
  375    HB2  CYS  56           HB2      CYS  56  -6.785  -3.279   1.088
  376    HB3  CYS  56           HB1      CYS  56  -7.854  -4.550   1.666
  377    H    SER  57           HN       SER  57  -8.563  -1.393  -0.746
  378    HA   SER  57           HA       SER  57 -10.701  -1.016   1.164
  379    HB2  SER  57           HB2      SER  57  -9.412   0.933  -0.763
  380    HB3  SER  57           HB1      SER  57 -10.575   1.362   0.494
  381    HG   SER  57           HG       SER  57  -7.901   0.538   0.725
  382    H    GLY  58           HN       GLY  58 -10.451  -1.853  -2.104
  383    HA2  GLY  58           HA2      GLY  58 -13.262  -1.072  -2.561
  384    HA3  GLY  58           HA1      GLY  58 -12.069  -1.222  -3.845
  385    H    ASP  59           HN       ASP  59 -14.366  -2.602  -4.160
  386    HA   ASP  59           HA       ASP  59 -13.705  -5.337  -3.336
  387    HB2  ASP  59           HB2      ASP  59 -16.010  -5.939  -3.803
  388    HB3  ASP  59           HB1      ASP  59 -15.967  -4.555  -2.720
  389    H    VAL  60           HN       VAL  60 -12.615  -6.466  -4.748
  390    HA   VAL  60           HA       VAL  60 -12.826  -5.894  -7.599
  391    HB   VAL  60           HB       VAL  60 -11.104  -7.979  -6.239
  392   HG11  VAL  60          HG11      VAL  60 -11.433  -8.358  -8.618
  393   HG12  VAL  60          HG12      VAL  60  -9.772  -7.865  -8.289
  394   HG13  VAL  60          HG13      VAL  60 -10.917  -6.708  -8.966
  395   HG21  VAL  60          HG21      VAL  60 -10.387  -5.146  -6.989
  396   HG22  VAL  60          HG22      VAL  60  -9.261  -6.370  -6.402
  397   HG23  VAL  60          HG23      VAL  60 -10.550  -5.782  -5.352
  398    H    THR  61           HN       THR  61 -15.069  -6.575  -7.632
  399    HA   THR  61           HA       THR  61 -15.540  -9.428  -7.217
  400    HB   THR  61           HB       THR  61 -17.983  -8.683  -7.532
  401    HG1  THR  61           HG1      THR  61 -17.366  -6.152  -6.647
  402   HG21  THR  61          HG21      THR  61 -16.373  -7.666  -5.187
  403   HG22  THR  61          HG22      THR  61 -17.048  -9.286  -5.366
  404   HG23  THR  61          HG23      THR  61 -18.120  -7.894  -5.202
  405    HA   PRO  62           HA       PRO  62 -15.399  -9.688 -11.749
  406    HB2  PRO  62           HB2      PRO  62 -15.388 -12.566 -11.206
  407    HB3  PRO  62           HB1      PRO  62 -14.186 -11.585 -12.048
  408    HG2  PRO  62           HG2      PRO  62 -13.717 -12.662  -9.619
  409    HG3  PRO  62           HG1      PRO  62 -13.031 -11.103 -10.115
  410    HD2  PRO  62           HD2      PRO  62 -15.403 -11.662  -8.374
  411    HD3  PRO  62           HD1      PRO  62 -14.116 -10.454  -8.171
  412    H    ALA  63           HN       ALA  63 -17.112  -9.865 -13.063
  413    HA   ALA  63           HA       ALA  63 -19.698 -10.366 -12.088
  414    HB1  ALA  63           HB1      ALA  63 -19.266  -8.935 -14.021
  415    HB2  ALA  63           HB2      ALA  63 -20.412 -10.214 -14.420
  416    HB3  ALA  63           HB3      ALA  63 -18.734 -10.340 -14.946
  417    HA   PRO  64           HA       PRO  64 -19.483 -14.827 -12.012
  418    HB2  PRO  64           HB2      PRO  64 -22.418 -14.602 -11.722
  419    HB3  PRO  64           HB1      PRO  64 -21.239 -15.384 -10.664
  420    HG2  PRO  64           HG2      PRO  64 -22.393 -13.086  -9.965
  421    HG3  PRO  64           HG1      PRO  64 -20.688 -13.406  -9.596
  422    HD2  PRO  64           HD2      PRO  64 -21.869 -11.727 -11.779
  423    HD3  PRO  64           HD1      PRO  64 -20.465 -11.405 -10.736
  424    H    VAL  65           HN       VAL  65 -18.975 -15.150 -14.205
  425    HA   VAL  65           HA       VAL  65 -21.272 -15.452 -16.010
  426    HB   VAL  65           HB       VAL  65 -19.633 -15.529 -17.848
  427   HG11  VAL  65          HG11      VAL  65 -18.947 -13.172 -17.761
  428   HG12  VAL  65          HG12      VAL  65 -19.356 -13.127 -16.046
  429   HG13  VAL  65          HG13      VAL  65 -20.619 -13.395 -17.249
  430   HG21  VAL  65          HG21      VAL  65 -17.732 -16.456 -16.640
  431   HG22  VAL  65          HG22      VAL  65 -17.592 -14.972 -15.697
  432   HG23  VAL  65          HG23      VAL  65 -17.288 -14.946 -17.434
  433    H    GLU  66           HN       GLU  66 -21.377 -17.337 -17.355
  434    HA   GLU  66           HA       GLU  66 -20.404 -19.730 -15.995
  435    HB2  GLU  66           HB2      GLU  66 -22.823 -19.503 -16.610
  436    HB3  GLU  66           HB1      GLU  66 -22.351 -19.487 -18.301
  437    HG2  GLU  66           HG2      GLU  66 -23.109 -21.674 -17.768
  438    HG3  GLU  66           HG1      GLU  66 -21.362 -21.744 -17.983
  Start of MODEL   48
    1    H1   GLY   1           HT1      GLY   1   5.626 -24.001  -7.445
    2    H2   GLY   1           HT2      GLY   1   5.410 -23.936  -9.117
    3    H3   GLY   1           HT3      GLY   1   4.635 -22.812  -8.124
    4    HA2  GLY   1           HA1      GLY   1   6.781 -21.905  -7.454
    5    HA3  GLY   1           HA2      GLY   1   7.560 -23.050  -8.537
    6    H    ALA   2           HN       ALA   2   8.407 -20.889  -9.308
    7    HA   ALA   2           HA       ALA   2   8.549 -19.274 -10.891
    8    HB1  ALA   2           HB1      ALA   2   8.167 -21.138 -12.415
    9    HB2  ALA   2           HB2      ALA   2   7.408 -19.668 -13.023
   10    HB3  ALA   2           HB3      ALA   2   6.425 -20.918 -12.264
   11    H    MET   3           HN       MET   3   7.077 -18.552  -8.731
   12    HA   MET   3           HA       MET   3   4.502 -17.530  -9.513
   13    HB2  MET   3           HB2      MET   3   4.344 -16.664  -7.257
   14    HB3  MET   3           HB1      MET   3   4.922 -18.320  -7.211
   15    HG2  MET   3           HG2      MET   3   6.709 -15.909  -7.007
   16    HG3  MET   3           HG1      MET   3   6.042 -16.764  -5.619
   17    HE1  MET   3           HE1      MET   3   7.790 -20.217  -5.759
   18    HE2  MET   3           HE2      MET   3   6.187 -19.792  -6.358
   19    HE3  MET   3           HE3      MET   3   6.762 -19.128  -4.829
   20    H    GLU   4           HN       GLU   4   7.754 -16.307  -9.249
   21    HA   GLU   4           HA       GLU   4   8.681 -14.253  -9.561
   22    HB2  GLU   4           HB2      GLU   4   6.518 -14.201 -11.669
   23    HB3  GLU   4           HB1      GLU   4   7.859 -13.065 -11.598
   24    HG2  GLU   4           HG2      GLU   4   9.434 -14.910 -11.867
   25    HG3  GLU   4           HG1      GLU   4   8.088 -16.046 -11.939
   26    H    GLY   5           HN       GLY   5   7.693 -13.775  -7.379
   27    HA2  GLY   5           HA2      GLY   5   5.475 -11.907  -7.382
   28    HA3  GLY   5           HA1      GLY   5   6.377 -12.461  -5.976
   29    H    GLN   6           HN       GLN   6   6.907 -10.577  -8.939
   30    HA   GLN   6           HA       GLN   6   8.037  -8.427  -7.346
   31    HB2  GLN   6           HB2      GLN   6   9.916 -10.017  -7.974
   32    HB3  GLN   6           HB1      GLN   6   9.615  -9.581  -9.650
   33    HG2  GLN   6           HG2      GLN   6  10.082  -7.227  -9.087
   34    HG3  GLN   6           HG1      GLN   6  10.470  -7.725  -7.441
   35   HE21  GLN   6          HE21      GLN   6  11.744 -10.206  -8.323
   36   HE22  GLN   6          HE22      GLN   6  13.273  -9.741  -8.987
   37    H    GLN   7           HN       GLN   7   5.662  -8.265  -8.483
   38    HA   GLN   7           HA       GLN   7   5.812  -7.177 -11.153
   39    HB2  GLN   7           HB2      GLN   7   3.800  -8.384 -10.338
   40    HB3  GLN   7           HB1      GLN   7   3.533  -7.106  -9.161
   41    HG2  GLN   7           HG2      GLN   7   3.298  -5.499 -11.030
   42    HG3  GLN   7           HG1      GLN   7   3.439  -6.845 -12.158
   43   HE21  GLN   7          HE21      GLN   7   1.933  -8.652 -10.400
   44   HE22  GLN   7          HE22      GLN   7   0.278  -8.171 -10.542
   45    H    ASN   8           HN       ASN   8   7.148  -5.434 -11.108
   46    HA   ASN   8           HA       ASN   8   7.944  -3.351 -10.703
   47    HB2  ASN   8           HB2      ASN   8   5.631  -2.797 -11.528
   48    HB3  ASN   8           HB1      ASN   8   5.116  -2.695  -9.849
   49   HD21  ASN   8          HD21      ASN   8   8.223  -1.612 -11.106
   50   HD22  ASN   8          HD22      ASN   8   7.958   0.070 -10.803
   51    H    LEU   9           HN       LEU   9   8.476  -5.105  -8.723
   52    HA   LEU   9           HA       LEU   9   7.808  -3.778  -6.193
   53    HB2  LEU   9           HB2      LEU   9   7.277  -6.170  -6.367
   54    HB3  LEU   9           HB1      LEU   9   8.957  -6.519  -6.719
   55    HG   LEU   9           HG       LEU   9   9.529  -5.588  -4.446
   56   HD11  LEU   9          HD11      LEU   9   6.541  -5.737  -4.080
   57   HD12  LEU   9          HD12      LEU   9   7.522  -4.271  -4.082
   58   HD13  LEU   9          HD13      LEU   9   7.725  -5.466  -2.801
   59   HD21  LEU   9          HD21      LEU   9   8.835  -7.610  -3.256
   60   HD22  LEU   9          HD22      LEU   9   9.438  -7.982  -4.872
   61   HD23  LEU   9          HD23      LEU   9   7.702  -7.984  -4.556
   62    H    ALA  10           HN       ALA  10   9.319  -2.792  -5.009
   63    HA   ALA  10           HA       ALA  10  12.042  -2.678  -6.024
   64    HB1  ALA  10           HB1      ALA  10  10.945  -0.592  -5.378
   65    HB2  ALA  10           HB2      ALA  10  12.351  -0.903  -4.360
   66    HB3  ALA  10           HB3      ALA  10  10.729  -1.205  -3.737
   67    HA   PRO  11           HA       PRO  11  13.590  -5.606  -3.049
   68    HB2  PRO  11           HB2      PRO  11  16.184  -4.842  -2.954
   69    HB3  PRO  11           HB1      PRO  11  15.492  -5.679  -4.348
   70    HG2  PRO  11           HG2      PRO  11  16.003  -2.754  -3.959
   71    HG3  PRO  11           HG1      PRO  11  16.321  -3.765  -5.381
   72    HD2  PRO  11           HD2      PRO  11  14.153  -2.152  -5.186
   73    HD3  PRO  11           HD1      PRO  11  14.129  -3.682  -6.084
   74    H    GLY  12           HN       GLY  12  12.190  -3.534  -1.846
   75    HA2  GLY  12           HA2      GLY  12  13.148  -3.457   0.755
   76    HA3  GLY  12           HA1      GLY  12  13.721  -1.990  -0.029
   77    H    ALA  13           HN       ALA  13  12.082  -1.670   2.063
   78    HA   ALA  13           HA       ALA  13   9.319  -1.608   1.248
   79    HB1  ALA  13           HB1      ALA  13   8.884  -0.760   3.470
   80    HB2  ALA  13           HB2      ALA  13  10.604  -0.484   3.734
   81    HB3  ALA  13           HB3      ALA  13   9.990  -2.128   3.562
   82    H    ARG  14           HN       ARG  14   9.558  -0.208  -0.606
   83    HA   ARG  14           HA       ARG  14   9.655   2.622   0.181
   84    HB2  ARG  14           HB2      ARG  14  10.656   1.403  -2.394
   85    HB3  ARG  14           HB1      ARG  14  10.482   3.131  -2.121
   86    HG2  ARG  14           HG2      ARG  14  12.049   2.863  -0.167
   87    HG3  ARG  14           HG1      ARG  14  12.357   1.226  -0.749
   88    HD2  ARG  14           HD2      ARG  14  12.826   3.788  -2.266
   89    HD3  ARG  14           HD1      ARG  14  14.064   2.765  -1.545
   90    HE   ARG  14           HE       ARG  14  12.403   2.074  -3.877
   91   HH11  ARG  14          HH11      ARG  14  15.220   1.509  -1.867
   92   HH12  ARG  14          HH12      ARG  14  16.001   0.486  -3.031
   93   HH21  ARG  14          HH21      ARG  14  13.440   0.744  -5.418
   94   HH22  ARG  14          HH22      ARG  14  14.991   0.058  -5.052
   95    H    CYS  15           HN       CYS  15   8.131   3.960  -0.605
   96    HA   CYS  15           HA       CYS  15   5.749   2.737  -1.730
   97    HB2  CYS  15           HB2      CYS  15   5.331   4.176   0.093
   98    HB3  CYS  15           HB1      CYS  15   6.453   5.390  -0.497
   99    H    GLY  16           HN       GLY  16   5.791   2.471  -3.873
  100    HA2  GLY  16           HA2      GLY  16   7.556   3.877  -5.582
  101    HA3  GLY  16           HA1      GLY  16   6.308   2.754  -6.089
  102    H    VAL  17           HN       VAL  17   4.401   4.659  -4.524
  103    HA   VAL  17           HA       VAL  17   3.447   6.022  -6.801
  104    HB   VAL  17           HB       VAL  17   2.787   6.667  -3.926
  105   HG11  VAL  17          HG11      VAL  17   1.225   7.060  -6.478
  106   HG12  VAL  17          HG12      VAL  17   1.991   8.326  -5.521
  107   HG13  VAL  17          HG13      VAL  17   0.640   7.411  -4.852
  108   HG21  VAL  17          HG21      VAL  17   2.503   4.289  -4.298
  109   HG22  VAL  17          HG22      VAL  17   1.562   4.606  -5.755
  110   HG23  VAL  17          HG23      VAL  17   0.928   5.073  -4.178
  111    H    CYS  18           HN       CYS  18   5.641   6.942  -4.247
  112    HA   CYS  18           HA       CYS  18   5.926   9.571  -5.541
  113    HB2  CYS  18           HB2      CYS  18   6.689  10.455  -3.369
  114    HB3  CYS  18           HB1      CYS  18   5.046   9.832  -3.281
  115    H    GLY  19           HN       GLY  19   7.597   6.921  -3.893
  116    HA2  GLY  19           HA2      GLY  19   9.641   6.121  -5.053
  117    HA3  GLY  19           HA1      GLY  19  10.103   7.814  -5.179
  118    H    ASP  20           HN       ASP  20   8.721   7.867  -2.333
  119    HA   ASP  20           HA       ASP  20  11.267   7.613  -0.957
  120    HB2  ASP  20           HB2      ASP  20   8.610   8.802  -0.177
  121    HB3  ASP  20           HB1      ASP  20   9.922   8.606   0.980
  122    H    GLY  21           HN       GLY  21  11.720   6.253   0.680
  123    HA2  GLY  21           HA2      GLY  21   9.696   4.193   1.288
  124    HA3  GLY  21           HA1      GLY  21  11.436   3.937   1.362
  125    H    THR  22           HN       THR  22  10.364   6.943   2.484
  126    HA   THR  22           HA       THR  22  11.219   6.392   5.156
  127    HB   THR  22           HB       THR  22   9.757   8.847   4.178
  128    HG1  THR  22           HG1      THR  22  12.461   8.045   3.875
  129   HG21  THR  22          HG21      THR  22  11.001   9.973   5.956
  130   HG22  THR  22          HG22      THR  22  11.774   8.447   6.392
  131   HG23  THR  22          HG23      THR  22  10.035   8.650   6.611
  132    H    ASP  23           HN       ASP  23   9.997   5.362   6.568
  133    HA   ASP  23           HA       ASP  23   8.204   4.472   7.648
  134    HB2  ASP  23           HB2      ASP  23   7.479   7.385   7.455
  135    HB3  ASP  23           HB1      ASP  23   6.499   6.239   8.361
  136    H    VAL  24           HN       VAL  24   7.731   3.262   5.614
  137    HA   VAL  24           HA       VAL  24   5.349   4.138   4.204
  138    HB   VAL  24           HB       VAL  24   5.596   1.967   2.956
  139   HG11  VAL  24          HG11      VAL  24   6.506   4.067   2.089
  140   HG12  VAL  24          HG12      VAL  24   7.513   2.688   1.648
  141   HG13  VAL  24          HG13      VAL  24   8.016   3.769   2.951
  142   HG21  VAL  24          HG21      VAL  24   6.784   0.701   4.666
  143   HG22  VAL  24          HG22      VAL  24   8.167   1.789   4.523
  144   HG23  VAL  24          HG23      VAL  24   7.711   0.759   3.167
  145    H    LEU  25           HN       LEU  25   3.389   3.062   4.226
  146    HA   LEU  25           HA       LEU  25   2.870   1.595   6.695
  147    HB2  LEU  25           HB2      LEU  25   0.949   2.743   4.663
  148    HB3  LEU  25           HB1      LEU  25   0.512   2.048   6.212
  149    HG   LEU  25           HG       LEU  25   2.159   4.551   5.835
  150   HD11  LEU  25          HD11      LEU  25  -0.702   4.219   6.718
  151   HD12  LEU  25          HD12      LEU  25  -0.169   4.853   5.162
  152   HD13  LEU  25          HD13      LEU  25   0.196   5.734   6.646
  153   HD21  LEU  25          HD21      LEU  25   1.848   4.842   8.243
  154   HD22  LEU  25          HD22      LEU  25   2.734   3.363   7.880
  155   HD23  LEU  25          HD23      LEU  25   1.030   3.284   8.328
  156    H    ARG  26           HN       ARG  26   1.790  -0.388   6.701
  157    HA   ARG  26           HA       ARG  26   2.070  -1.909   4.196
  158    HB2  ARG  26           HB2      ARG  26   2.127  -2.802   7.082
  159    HB3  ARG  26           HB1      ARG  26   2.098  -3.910   5.723
  160    HG2  ARG  26           HG2      ARG  26   4.255  -1.872   6.231
  161    HG3  ARG  26           HG1      ARG  26   4.350  -3.580   6.662
  162    HD2  ARG  26           HD2      ARG  26   3.999  -4.128   4.252
  163    HD3  ARG  26           HD1      ARG  26   4.117  -2.405   3.895
  164    HE   ARG  26           HE       ARG  26   6.381  -3.032   5.332
  165   HH11  ARG  26          HH11      ARG  26   4.953  -4.021   2.291
  166   HH12  ARG  26          HH12      ARG  26   6.473  -4.438   1.568
  167   HH21  ARG  26          HH21      ARG  26   8.371  -3.609   4.403
  168   HH22  ARG  26          HH22      ARG  26   8.419  -4.215   2.776
  169    H    CYS  27           HN       CYS  27   0.379  -3.202   3.495
  170    HA   CYS  27           HA       CYS  27  -2.244  -2.438   4.377
  171    HB2  CYS  27           HB2      CYS  27  -1.543  -3.071   1.975
  172    HB3  CYS  27           HB1      CYS  27  -1.628  -4.753   2.511
  173    H    THR  28           HN       THR  28  -3.592  -3.540   5.740
  174    HA   THR  28           HA       THR  28  -2.402  -5.709   7.250
  175    HB   THR  28           HB       THR  28  -4.497  -5.550   8.622
  176    HG1  THR  28           HG1      THR  28  -6.063  -4.227   8.030
  177   HG21  THR  28          HG21      THR  28  -3.901  -3.434   9.662
  178   HG22  THR  28          HG22      THR  28  -3.008  -2.954   8.221
  179   HG23  THR  28          HG23      THR  28  -2.444  -4.310   9.197
  180    H    HIS  29           HN       HIS  29  -4.228  -5.519   4.480
  181    HA   HIS  29           HA       HIS  29  -5.489  -8.129   4.990
  182    HB2  HIS  29           HB2      HIS  29  -6.253  -5.923   3.080
  183    HB3  HIS  29           HB1      HIS  29  -6.936  -7.542   2.991
  184    HD1  HIS  29           HD1      HIS  29  -8.819  -8.096   4.581
  185    HD2  HIS  29           HD2      HIS  29  -6.963  -4.483   5.468
  186    HE1  HIS  29           HE1      HIS  29 -10.258  -7.004   6.331
  187    HE2  HIS  29           HE2      HIS  29  -9.032  -4.895   6.959
  188    H    CYS  30           HN       CYS  30  -3.111  -6.498   3.140
  189    HA   CYS  30           HA       CYS  30  -2.362  -9.009   1.938
  190    HB2  CYS  30           HB2      CYS  30  -2.465  -8.400  -0.323
  191    HB3  CYS  30           HB1      CYS  30  -3.980  -7.791   0.330
  192    H    ALA  31           HN       ALA  31  -0.370  -8.147   0.257
  193    HA   ALA  31           HA       ALA  31   1.457  -6.926   2.194
  194    HB1  ALA  31           HB1      ALA  31   2.099  -8.741  -0.120
  195    HB2  ALA  31           HB2      ALA  31   1.993  -9.227   1.571
  196    HB3  ALA  31           HB3      ALA  31   3.251  -8.105   1.053
  197    H    ALA  32           HN       ALA  32   1.965  -4.860   1.786
  198    HA   ALA  32           HA       ALA  32   2.989  -4.047  -0.751
  199    HB1  ALA  32           HB1      ALA  32   0.338  -2.866   0.075
  200    HB2  ALA  32           HB2      ALA  32   0.603  -3.948  -1.291
  201    HB3  ALA  32           HB3      ALA  32   1.328  -2.340  -1.285
  202    H    ALA  33           HN       ALA  33   4.261  -2.251  -0.556
  203    HA   ALA  33           HA       ALA  33   4.206  -0.815   2.020
  204    HB1  ALA  33           HB1      ALA  33   6.428  -1.058  -0.014
  205    HB2  ALA  33           HB2      ALA  33   6.349  -1.862   1.555
  206    HB3  ALA  33           HB3      ALA  33   6.508  -0.105   1.470
  207    H    PHE  34           HN       PHE  34   3.307   1.149   1.976
  208    HA   PHE  34           HA       PHE  34   3.694   2.950  -0.232
  209    HB2  PHE  34           HB2      PHE  34   1.312   3.125  -0.840
  210    HB3  PHE  34           HB1      PHE  34   1.945   1.515  -1.166
  211    HD1  PHE  34           HD2      PHE  34   1.388  -0.356   0.401
  212    HD2  PHE  34           HD1      PHE  34  -0.494   3.454   0.641
  213    HE1  PHE  34           HE2      PHE  34  -0.432  -1.338   1.730
  214    HE2  PHE  34           HE1      PHE  34  -2.313   2.475   1.972
  215    HZ   PHE  34           HZ       PHE  34  -2.281   0.072   2.519
  216    H    HIS  35           HN       HIS  35   2.666   5.039   0.141
  217    HA   HIS  35           HA       HIS  35   2.154   5.573   2.973
  218    HB2  HIS  35           HB2      HIS  35   2.486   7.469   0.635
  219    HB3  HIS  35           HB1      HIS  35   2.198   7.968   2.295
  220    HD2  HIS  35           HD2      HIS  35   4.455   6.106   3.758
  221    HE1  HIS  35           HE1      HIS  35   7.076   8.142   1.133
  222    HE2  HIS  35           HE2      HIS  35   6.867   6.991   3.391
  223    H    TRP  36           HN       TRP  36   0.197   6.227   3.722
  224    HA   TRP  36           HA       TRP  36  -2.155   5.746   2.256
  225    HB2  TRP  36           HB2      TRP  36  -2.186   5.688   4.676
  226    HB3  TRP  36           HB1      TRP  36  -1.668   7.366   4.767
  227    HD1  TRP  36           HD1      TRP  36  -3.514   9.179   4.791
  228    HE1  TRP  36           HE1      TRP  36  -6.083   9.142   4.687
  229    HE3  TRP  36           HE3      TRP  36  -4.197   4.282   3.497
  230    HZ2  TRP  36           HZ2      TRP  36  -8.129   7.286   4.113
  231    HZ3  TRP  36           HZ3      TRP  36  -6.492   3.455   3.190
  232    HH2  TRP  36           HH2      TRP  36  -8.418   4.928   3.492
  233    H    ARG  37           HN       ARG  37  -0.338   8.685   2.964
  234    HA   ARG  37           HA       ARG  37  -2.120  10.542   1.827
  235    HB2  ARG  37           HB2      ARG  37   0.885  10.696   2.111
  236    HB3  ARG  37           HB1      ARG  37  -0.164  12.056   1.743
  237    HG2  ARG  37           HG2      ARG  37  -1.218  11.900   3.894
  238    HG3  ARG  37           HG1      ARG  37  -0.333  10.417   4.261
  239    HD2  ARG  37           HD2      ARG  37   0.702  12.310   5.373
  240    HD3  ARG  37           HD1      ARG  37   1.779  11.662   4.140
  241    HE   ARG  37           HE       ARG  37   0.146  14.096   3.768
  242   HH11  ARG  37          HH11      ARG  37   3.130  12.303   3.300
  243   HH12  ARG  37          HH12      ARG  37   3.907  13.587   2.433
  244   HH21  ARG  37          HH21      ARG  37   1.176  15.779   2.642
  245   HH22  ARG  37          HH22      ARG  37   2.802  15.568   2.066
  246    H    CYS  38           HN       CYS  38   0.082   8.338   0.360
  247    HA   CYS  38           HA       CYS  38   0.191   9.800  -2.139
  248    HB2  CYS  38           HB2      CYS  38   1.424   7.213  -1.210
  249    HB3  CYS  38           HB1      CYS  38   1.502   7.735  -2.891
  250    H    HIS  39           HN       HIS  39  -1.724   7.351  -0.692
  251    HA   HIS  39           HA       HIS  39  -2.782   6.527  -3.302
  252    HB2  HIS  39           HB2      HIS  39  -2.991   5.341  -0.545
  253    HB3  HIS  39           HB1      HIS  39  -4.087   4.854  -1.834
  254    HD1  HIS  39           HD1      HIS  39  -3.331   2.703  -2.753
  255    HD2  HIS  39           HD2      HIS  39  -0.130   5.174  -1.825
  256    HE1  HIS  39           HE1      HIS  39  -1.275   1.416  -3.407
  257    HE2  HIS  39           HE2      HIS  39   0.627   3.008  -3.024
  258    H    PHE  40           HN       PHE  40  -3.711   8.005  -0.254
  259    HA   PHE  40           HA       PHE  40  -6.186   8.943  -1.524
  260    HB2  PHE  40           HB2      PHE  40  -5.912   7.823   1.278
  261    HB3  PHE  40           HB1      PHE  40  -7.344   8.644   0.670
  262    HD1  PHE  40           HD2      PHE  40  -8.741   7.588  -1.058
  263    HD2  PHE  40           HD1      PHE  40  -5.427   5.564   0.681
  264    HE1  PHE  40           HE2      PHE  40  -9.602   5.451  -1.917
  265    HE2  PHE  40           HE1      PHE  40  -6.281   3.421  -0.178
  266    HZ   PHE  40           HZ       PHE  40  -8.382   3.368  -1.478
  267    HA   PRO  41           HA       PRO  41  -4.843  12.892  -0.032
  268    HB2  PRO  41           HB2      PRO  41  -7.664  13.587   0.447
  269    HB3  PRO  41           HB1      PRO  41  -6.505  14.317  -0.667
  270    HG2  PRO  41           HG2      PRO  41  -8.538  12.812  -1.548
  271    HG3  PRO  41           HG1      PRO  41  -6.952  12.790  -2.341
  272    HD2  PRO  41           HD2      PRO  41  -8.137  10.821  -0.419
  273    HD3  PRO  41           HD1      PRO  41  -7.204  10.526  -1.901
  274    H    ALA  42           HN       ALA  42  -4.348  13.804   1.866
  275    HA   ALA  42           HA       ALA  42  -4.709  12.301   4.222
  276    HB1  ALA  42           HB1      ALA  42  -3.440  14.046   5.327
  277    HB2  ALA  42           HB2      ALA  42  -3.672  15.116   3.944
  278    HB3  ALA  42           HB3      ALA  42  -2.713  13.646   3.770
  279    H    GLY  43           HN       GLY  43  -6.745  14.570   2.776
  280    HA2  GLY  43           HA2      GLY  43  -8.052  15.638   5.050
  281    HA3  GLY  43           HA1      GLY  43  -8.766  15.440   3.452
  282    H    THR  44           HN       THR  44  -8.149  12.568   3.447
  283    HA   THR  44           HA       THR  44 -10.405  11.619   5.013
  284    HB   THR  44           HB       THR  44  -8.558  10.060   3.188
  285    HG1  THR  44           HG1      THR  44  -9.972  11.926   2.347
  286   HG21  THR  44          HG21      THR  44 -11.328   9.438   4.224
  287   HG22  THR  44          HG22      THR  44  -9.833   8.665   4.749
  288   HG23  THR  44          HG23      THR  44 -10.403   8.448   3.095
  289    H    SER  45           HN       SER  45 -10.209  10.484   6.879
  290    HA   SER  45           HA       SER  45  -7.561  10.387   8.043
  291    HB2  SER  45           HB2      SER  45 -10.266   9.793   9.264
  292    HB3  SER  45           HB1      SER  45  -8.743   9.911  10.150
  293    HG   SER  45           HG       SER  45  -8.737  12.114   8.936
  294    H    ARG  46           HN       ARG  46  -6.348   8.699   7.838
  295    HA   ARG  46           HA       ARG  46  -7.104   6.253   6.755
  296    HB2  ARG  46           HB2      ARG  46  -4.880   5.479   7.407
  297    HB3  ARG  46           HB1      ARG  46  -4.811   7.090   6.722
  298    HG2  ARG  46           HG2      ARG  46  -4.704   8.011   9.020
  299    HG3  ARG  46           HG1      ARG  46  -4.625   6.360   9.635
  300    HD2  ARG  46           HD2      ARG  46  -2.582   5.986   8.321
  301    HD3  ARG  46           HD1      ARG  46  -2.658   7.651   7.748
  302    HE   ARG  46           HE       ARG  46  -2.673   7.686  10.545
  303   HH11  ARG  46          HH11      ARG  46  -0.515   6.954   7.894
  304   HH12  ARG  46          HH12      ARG  46   0.924   7.252   8.812
  305   HH21  ARG  46          HH21      ARG  46  -0.779   8.091  11.756
  306   HH22  ARG  46          HH22      ARG  46   0.774   7.880  11.014
  307    HA   PRO  47           HA       PRO  47  -9.132   4.242  10.075
  308    HB2  PRO  47           HB2      PRO  47  -8.939   1.674   9.204
  309    HB3  PRO  47           HB1      PRO  47 -10.043   2.856   8.493
  310    HG2  PRO  47           HG2      PRO  47  -7.357   1.956   7.535
  311    HG3  PRO  47           HG1      PRO  47  -8.840   2.243   6.605
  312    HD2  PRO  47           HD2      PRO  47  -6.820   4.036   6.703
  313    HD3  PRO  47           HD1      PRO  47  -8.520   4.524   6.560
  314    H    GLY  48           HN       GLY  48  -8.575   3.545  12.036
  315    HA2  GLY  48           HA2      GLY  48  -5.822   2.749  12.519
  316    HA3  GLY  48           HA1      GLY  48  -7.038   3.105  13.740
  317    H    THR  49           HN       THR  49  -8.735   1.216  11.871
  318    HA   THR  49           HA       THR  49  -8.183  -1.150  13.458
  319    HB   THR  49           HB       THR  49 -10.268  -2.022  12.327
  320    HG1  THR  49           HG1      THR  49 -10.726  -0.906  10.567
  321   HG21  THR  49          HG21      THR  49 -11.789  -0.556  13.596
  322   HG22  THR  49          HG22      THR  49 -10.471   0.593  13.821
  323   HG23  THR  49          HG23      THR  49 -10.372  -1.014  14.538
  324    H    GLY  50           HN       GLY  50  -6.693  -0.056  10.913
  325    HA2  GLY  50           HA2      GLY  50  -5.215  -1.957  10.033
  326    HA3  GLY  50           HA1      GLY  50  -6.730  -2.574   9.397
  327    H    LEU  51           HN       LEU  51  -4.038  -0.850   8.664
  328    HA   LEU  51           HA       LEU  51  -5.099   1.134   6.918
  329    HB2  LEU  51           HB2      LEU  51  -2.704   0.794   8.032
  330    HB3  LEU  51           HB1      LEU  51  -2.377  -0.022   6.519
  331    HG   LEU  51           HG       LEU  51  -1.623   2.312   6.499
  332   HD11  LEU  51          HD11      LEU  51  -2.663   3.001   4.403
  333   HD12  LEU  51          HD12      LEU  51  -3.922   1.787   4.630
  334   HD13  LEU  51          HD13      LEU  51  -2.247   1.288   4.394
  335   HD21  LEU  51          HD21      LEU  51  -4.539   3.021   6.773
  336   HD22  LEU  51          HD22      LEU  51  -3.202   4.144   6.529
  337   HD23  LEU  51          HD23      LEU  51  -3.313   3.219   8.025
  338    H    ARG  52           HN       ARG  52  -5.824   0.905   4.905
  339    HA   ARG  52           HA       ARG  52  -5.511  -1.729   3.635
  340    HB2  ARG  52           HB2      ARG  52  -7.828   0.207   3.504
  341    HB3  ARG  52           HB1      ARG  52  -7.710  -1.273   2.564
  342    HG2  ARG  52           HG2      ARG  52  -7.754  -2.604   4.572
  343    HG3  ARG  52           HG1      ARG  52  -7.741  -1.148   5.570
  344    HD2  ARG  52           HD2      ARG  52  -9.907  -1.898   3.608
  345    HD3  ARG  52           HD1      ARG  52  -9.990  -2.144   5.351
  346    HE   ARG  52           HE       ARG  52  -9.457   0.581   4.623
  347   HH11  ARG  52          HH11      ARG  52 -11.992  -1.796   5.032
  348   HH12  ARG  52          HH12      ARG  52 -13.217  -0.618   5.377
  349   HH21  ARG  52          HH21      ARG  52 -11.070   2.136   5.069
  350   HH22  ARG  52          HH22      ARG  52 -12.696   1.617   5.388
  351    H    CYS  53           HN       CYS  53  -4.585  -1.785   1.691
  352    HA   CYS  53           HA       CYS  53  -3.861   0.581   0.265
  353    HB2  CYS  53           HB2      CYS  53  -2.849  -0.858  -1.306
  354    HB3  CYS  53           HB1      CYS  53  -2.691  -1.715   0.221
  355    H    ARG  54           HN       ARG  54  -4.545   0.453  -2.314
  356    HA   ARG  54           HA       ARG  54  -7.126   1.517  -2.128
  357    HB2  ARG  54           HB2      ARG  54  -7.060   1.871  -4.506
  358    HB3  ARG  54           HB1      ARG  54  -5.491   2.244  -3.814
  359    HG2  ARG  54           HG2      ARG  54  -4.633   0.098  -4.608
  360    HG3  ARG  54           HG1      ARG  54  -6.212  -0.274  -5.300
  361    HD2  ARG  54           HD2      ARG  54  -4.446   2.049  -6.067
  362    HD3  ARG  54           HD1      ARG  54  -4.666   0.570  -6.999
  363    HE   ARG  54           HE       ARG  54  -7.180   1.426  -6.818
  364   HH11  ARG  54          HH11      ARG  54  -4.245   3.139  -7.656
  365   HH12  ARG  54          HH12      ARG  54  -5.051   4.288  -8.673
  366   HH21  ARG  54          HH21      ARG  54  -8.250   2.942  -8.151
  367   HH22  ARG  54          HH22      ARG  54  -7.335   4.188  -8.939
  368    H    SER  55           HN       SER  55  -6.100  -1.673  -3.339
  369    HA   SER  55           HA       SER  55  -8.682  -2.356  -4.313
  370    HB2  SER  55           HB2      SER  55  -6.606  -3.463  -5.089
  371    HB3  SER  55           HB1      SER  55  -6.441  -4.223  -3.507
  372    HG   SER  55           HG       SER  55  -8.672  -4.537  -5.243
  373    H    CYS  56           HN       CYS  56  -6.976  -3.162  -1.287
  374    HA   CYS  56           HA       CYS  56  -9.152  -4.694  -0.255
  375    HB2  CYS  56           HB2      CYS  56  -6.861  -3.450   1.276
  376    HB3  CYS  56           HB1      CYS  56  -7.904  -4.752   1.831
  377    H    SER  57           HN       SER  57  -8.500  -1.336  -0.416
  378    HA   SER  57           HA       SER  57 -10.144  -0.624   1.860
  379    HB2  SER  57           HB2      SER  57  -8.150   0.728   1.183
  380    HB3  SER  57           HB1      SER  57  -8.992   1.163  -0.302
  381    HG   SER  57           HG       SER  57 -10.356   2.415   0.805
  382    H    GLY  58           HN       GLY  58 -10.653  -1.448  -1.375
  383    HA2  GLY  58           HA2      GLY  58 -12.981   0.222  -1.770
  384    HA3  GLY  58           HA1      GLY  58 -12.382  -1.013  -2.867
  385    H    ASP  59           HN       ASP  59 -14.902  -0.220  -0.957
  386    HA   ASP  59           HA       ASP  59 -15.497  -2.909  -0.005
  387    HB2  ASP  59           HB2      ASP  59 -16.031  -0.584   1.155
  388    HB3  ASP  59           HB1      ASP  59 -17.464  -0.653   0.137
  389    H    VAL  60           HN       VAL  60 -18.035  -3.403  -0.401
  390    HA   VAL  60           HA       VAL  60 -18.358  -3.290  -3.316
  391    HB   VAL  60           HB       VAL  60 -19.814  -5.359  -2.939
  392   HG11  VAL  60          HG11      VAL  60 -17.855  -6.843  -2.987
  393   HG12  VAL  60          HG12      VAL  60 -16.843  -5.499  -2.462
  394   HG13  VAL  60          HG13      VAL  60 -17.645  -5.439  -4.032
  395   HG21  VAL  60          HG21      VAL  60 -19.236  -6.714  -0.978
  396   HG22  VAL  60          HG22      VAL  60 -20.027  -5.206  -0.522
  397   HG23  VAL  60          HG23      VAL  60 -18.280  -5.374  -0.347
  398    H    THR  61           HN       THR  61 -19.691  -1.644  -3.692
  399    HA   THR  61           HA       THR  61 -22.060  -1.278  -2.042
  400    HB   THR  61           HB       THR  61 -22.409   0.748  -3.497
  401    HG1  THR  61           HG1      THR  61 -21.225   0.135  -5.321
  402   HG21  THR  61          HG21      THR  61 -19.764   0.524  -2.056
  403   HG22  THR  61          HG22      THR  61 -21.318   0.942  -1.331
  404   HG23  THR  61          HG23      THR  61 -20.565   2.034  -2.492
  405    HA   PRO  62           HA       PRO  62 -24.355  -3.829  -4.895
  406    HB2  PRO  62           HB2      PRO  62 -26.840  -3.139  -3.910
  407    HB3  PRO  62           HB1      PRO  62 -25.808  -4.400  -3.231
  408    HG2  PRO  62           HG2      PRO  62 -26.212  -1.586  -2.324
  409    HG3  PRO  62           HG1      PRO  62 -26.002  -3.059  -1.360
  410    HD2  PRO  62           HD2      PRO  62 -24.006  -1.283  -1.725
  411    HD3  PRO  62           HD1      PRO  62 -23.704  -3.027  -1.577
  412    H    ALA  63           HN       ALA  63 -25.350  -3.485  -6.814
  413    HA   ALA  63           HA       ALA  63 -25.514  -0.799  -7.799
  414    HB1  ALA  63           HB1      ALA  63 -24.738  -2.627  -9.225
  415    HB2  ALA  63           HB2      ALA  63 -26.164  -1.846  -9.912
  416    HB3  ALA  63           HB3      ALA  63 -26.318  -3.403  -9.096
  417    HA   PRO  64           HA       PRO  64 -29.762  -0.134  -6.733
  418    HB2  PRO  64           HB2      PRO  64 -30.263   2.008  -8.298
  419    HB3  PRO  64           HB1      PRO  64 -29.235   2.106  -6.863
  420    HG2  PRO  64           HG2      PRO  64 -28.448   1.871  -9.743
  421    HG3  PRO  64           HG1      PRO  64 -27.766   2.910  -8.477
  422    HD2  PRO  64           HD2      PRO  64 -26.614   0.575  -9.258
  423    HD3  PRO  64           HD1      PRO  64 -26.476   1.215  -7.609
  424    H    VAL  65           HN       VAL  65 -29.695  -2.303  -8.256
  425    HA   VAL  65           HA       VAL  65 -31.772  -1.797 -10.278
  426    HB   VAL  65           HB       VAL  65 -30.948  -3.790 -11.523
  427   HG11  VAL  65          HG11      VAL  65 -28.936  -1.567 -11.178
  428   HG12  VAL  65          HG12      VAL  65 -30.327  -1.557 -12.260
  429   HG13  VAL  65          HG13      VAL  65 -29.004  -2.686 -12.539
  430   HG21  VAL  65          HG21      VAL  65 -29.765  -4.902  -9.698
  431   HG22  VAL  65          HG22      VAL  65 -28.576  -3.600  -9.668
  432   HG23  VAL  65          HG23      VAL  65 -28.703  -4.647 -11.082
  433    H    GLU  66           HN       GLU  66 -33.538  -3.100 -10.209
  434    HA   GLU  66           HA       GLU  66 -33.717  -4.889  -7.900
  435    HB2  GLU  66           HB2      GLU  66 -35.894  -3.739  -9.654
  436    HB3  GLU  66           HB1      GLU  66 -36.155  -4.749  -8.238
  437    HG2  GLU  66           HG2      GLU  66 -35.056  -3.023  -6.855
  438    HG3  GLU  66           HG1      GLU  66 -34.928  -2.002  -8.287
  Start of MODEL   49
    1    H1   GLY   1           HT1      GLY   1  25.173  -0.407 -21.454
    2    H2   GLY   1           HT2      GLY   1  25.271  -0.823 -23.089
    3    H3   GLY   1           HT3      GLY   1  25.619  -1.973 -21.900
    4    HA2  GLY   1           HA1      GLY   1  22.976  -0.745 -22.425
    5    HA3  GLY   1           HA2      GLY   1  23.446  -2.394 -22.815
    6    H    ALA   2           HN       ALA   2  22.031  -0.387 -20.528
    7    HA   ALA   2           HA       ALA   2  21.827  -2.599 -18.646
    8    HB1  ALA   2           HB1      ALA   2  22.792   0.131 -17.794
    9    HB2  ALA   2           HB2      ALA   2  23.770  -1.335 -17.855
   10    HB3  ALA   2           HB3      ALA   2  22.422  -1.220 -16.723
   11    H    MET   3           HN       MET   3  19.693  -2.838 -18.648
   12    HA   MET   3           HA       MET   3  17.969  -0.476 -18.699
   13    HB2  MET   3           HB2      MET   3  17.257  -3.408 -18.948
   14    HB3  MET   3           HB1      MET   3  16.144  -2.061 -19.142
   15    HG2  MET   3           HG2      MET   3  17.411  -1.288 -21.077
   16    HG3  MET   3           HG1      MET   3  18.529  -2.634 -20.881
   17    HE1  MET   3           HE1      MET   3  16.630  -3.657 -24.120
   18    HE2  MET   3           HE2      MET   3  18.203  -3.405 -23.366
   19    HE3  MET   3           HE3      MET   3  17.125  -2.036 -23.633
   20    H    GLU   4           HN       GLU   4  18.041  -3.585 -16.959
   21    HA   GLU   4           HA       GLU   4  16.875  -2.225 -14.636
   22    HB2  GLU   4           HB2      GLU   4  17.013  -5.144 -15.395
   23    HB3  GLU   4           HB1      GLU   4  16.446  -4.579 -13.830
   24    HG2  GLU   4           HG2      GLU   4  15.227  -3.816 -16.472
   25    HG3  GLU   4           HG1      GLU   4  14.624  -5.086 -15.407
   26    H    GLY   5           HN       GLY   5  19.763  -3.624 -15.805
   27    HA2  GLY   5           HA2      GLY   5  20.824  -4.380 -13.231
   28    HA3  GLY   5           HA1      GLY   5  21.676  -4.412 -14.765
   29    H    GLN   6           HN       GLN   6  20.394  -2.146 -12.357
   30    HA   GLN   6           HA       GLN   6  22.612  -0.325 -12.991
   31    HB2  GLN   6           HB2      GLN   6  20.057   0.144 -11.444
   32    HB3  GLN   6           HB1      GLN   6  21.320   1.345 -11.666
   33    HG2  GLN   6           HG2      GLN   6  19.810   0.045 -13.921
   34    HG3  GLN   6           HG1      GLN   6  19.380   1.591 -13.195
   35   HE21  GLN   6          HE21      GLN   6  19.680   2.697 -15.121
   36   HE22  GLN   6          HE22      GLN   6  21.250   3.000 -15.785
   37    H    GLN   7           HN       GLN   7  21.988  -2.812 -11.043
   38    HA   GLN   7           HA       GLN   7  22.975  -3.689  -9.215
   39    HB2  GLN   7           HB2      GLN   7  24.837  -1.360  -9.636
   40    HB3  GLN   7           HB1      GLN   7  25.073  -2.539  -8.352
   41    HG2  GLN   7           HG2      GLN   7  25.250  -4.318  -9.991
   42    HG3  GLN   7           HG1      GLN   7  24.949  -3.170 -11.292
   43   HE21  GLN   7          HE21      GLN   7  26.897  -2.330  -8.532
   44   HE22  GLN   7          HE22      GLN   7  28.416  -2.320  -9.362
   45    H    ASN   8           HN       ASN   8  20.852  -1.615  -9.059
   46    HA   ASN   8           HA       ASN   8  21.294  -0.586  -6.354
   47    HB2  ASN   8           HB2      ASN   8  20.369   1.008  -7.970
   48    HB3  ASN   8           HB1      ASN   8  19.037  -0.087  -8.312
   49   HD21  ASN   8          HD21      ASN   8  17.474   1.369  -7.697
   50   HD22  ASN   8          HD22      ASN   8  17.215   1.827  -6.049
   51    H    LEU   9           HN       LEU   9  20.623  -1.749  -4.690
   52    HA   LEU   9           HA       LEU   9  18.963  -4.062  -5.119
   53    HB2  LEU   9           HB2      LEU   9  20.324  -2.924  -2.692
   54    HB3  LEU   9           HB1      LEU   9  19.202  -4.263  -2.569
   55    HG   LEU   9           HG       LEU   9  20.682  -5.527  -4.174
   56   HD11  LEU   9          HD11      LEU   9  22.996  -4.779  -4.405
   57   HD12  LEU   9          HD12      LEU   9  22.590  -3.271  -3.585
   58   HD13  LEU   9          HD13      LEU   9  21.870  -3.645  -5.151
   59   HD21  LEU   9          HD21      LEU   9  22.353  -6.072  -2.450
   60   HD22  LEU   9          HD22      LEU   9  20.713  -5.993  -1.807
   61   HD23  LEU   9          HD23      LEU   9  21.834  -4.660  -1.529
   62    H    ALA  10           HN       ALA  10  17.160  -2.691  -5.904
   63    HA   ALA  10           HA       ALA  10  15.616  -1.254  -3.961
   64    HB1  ALA  10           HB1      ALA  10  13.903  -1.156  -5.709
   65    HB2  ALA  10           HB2      ALA  10  14.828  -2.297  -6.684
   66    HB3  ALA  10           HB3      ALA  10  15.484  -0.697  -6.340
   67    HA   PRO  11           HA       PRO  11  14.058  -4.963  -2.108
   68    HB2  PRO  11           HB2      PRO  11  12.341  -3.813  -0.360
   69    HB3  PRO  11           HB1      PRO  11  14.094  -3.789  -0.134
   70    HG2  PRO  11           HG2      PRO  11  12.296  -1.657  -1.223
   71    HG3  PRO  11           HG1      PRO  11  13.648  -1.506  -0.087
   72    HD2  PRO  11           HD2      PRO  11  13.873  -0.921  -2.727
   73    HD3  PRO  11           HD1      PRO  11  15.225  -1.546  -1.761
   74    H    GLY  12           HN       GLY  12  12.236  -2.810  -3.994
   75    HA2  GLY  12           HA2      GLY  12  10.340  -3.243  -5.274
   76    HA3  GLY  12           HA1      GLY  12  10.188  -4.797  -4.465
   77    H    ALA  13           HN       ALA  13  10.039  -4.120  -1.860
   78    HA   ALA  13           HA       ALA  13   7.400  -3.048  -1.600
   79    HB1  ALA  13           HB1      ALA  13   9.406  -3.833   0.515
   80    HB2  ALA  13           HB2      ALA  13   8.169  -4.880  -0.182
   81    HB3  ALA  13           HB3      ALA  13   7.699  -3.488   0.792
   82    H    ARG  14           HN       ARG  14   7.888  -0.966  -2.553
   83    HA   ARG  14           HA       ARG  14   8.621   0.983  -0.505
   84    HB2  ARG  14           HB2      ARG  14  10.684   0.675  -1.762
   85    HB3  ARG  14           HB1      ARG  14   9.826   0.876  -3.283
   86    HG2  ARG  14           HG2      ARG  14   9.336   3.200  -2.696
   87    HG3  ARG  14           HG1      ARG  14  10.205   2.996  -1.173
   88    HD2  ARG  14           HD2      ARG  14  11.422   2.606  -3.901
   89    HD3  ARG  14           HD1      ARG  14  11.533   4.098  -2.971
   90    HE   ARG  14           HE       ARG  14  12.469   2.150  -1.288
   91   HH11  ARG  14          HH11      ARG  14  13.313   3.243  -4.508
   92   HH12  ARG  14          HH12      ARG  14  15.003   2.885  -4.323
   93   HH21  ARG  14          HH21      ARG  14  14.696   1.681  -1.044
   94   HH22  ARG  14          HH22      ARG  14  15.786   1.996  -2.357
   95    H    CYS  15           HN       CYS  15   7.503   2.929  -0.719
   96    HA   CYS  15           HA       CYS  15   5.090   2.895  -2.202
   97    HB2  CYS  15           HB2      CYS  15   5.374   4.108  -0.072
   98    HB3  CYS  15           HB1      CYS  15   6.530   5.185  -0.838
   99    H    GLY  16           HN       GLY  16   5.160   2.916  -4.364
  100    HA2  GLY  16           HA2      GLY  16   7.404   4.120  -5.742
  101    HA3  GLY  16           HA1      GLY  16   6.134   3.145  -6.461
  102    H    VAL  17           HN       VAL  17   4.315   5.137  -4.857
  103    HA   VAL  17           HA       VAL  17   3.646   6.753  -7.071
  104    HB   VAL  17           HB       VAL  17   2.905   7.170  -4.170
  105   HG11  VAL  17          HG11      VAL  17   1.592   8.175  -6.693
  106   HG12  VAL  17          HG12      VAL  17   2.505   9.150  -5.541
  107   HG13  VAL  17          HG13      VAL  17   0.985   8.400  -5.053
  108   HG21  VAL  17          HG21      VAL  17   2.276   4.947  -4.939
  109   HG22  VAL  17          HG22      VAL  17   1.466   5.648  -6.340
  110   HG23  VAL  17          HG23      VAL  17   0.848   5.957  -4.717
  111    H    CYS  18           HN       CYS  18   5.495   7.389  -4.115
  112    HA   CYS  18           HA       CYS  18   6.165  10.044  -5.164
  113    HB2  CYS  18           HB2      CYS  18   6.873  10.603  -2.897
  114    HB3  CYS  18           HB1      CYS  18   5.223   9.987  -2.887
  115    H    GLY  19           HN       GLY  19   7.556   7.017  -4.013
  116    HA2  GLY  19           HA2      GLY  19   9.574   6.225  -5.122
  117    HA3  GLY  19           HA1      GLY  19  10.147   7.887  -5.123
  118    H    ASP  20           HN       ASP  20   8.714   7.651  -2.246
  119    HA   ASP  20           HA       ASP  20  11.241   6.965  -0.923
  120    HB2  ASP  20           HB2      ASP  20   8.896   8.658  -0.080
  121    HB3  ASP  20           HB1      ASP  20  10.105   8.111   1.075
  122    H    GLY  21           HN       GLY  21  11.417   5.301   0.428
  123    HA2  GLY  21           HA2      GLY  21   8.969   3.806   1.125
  124    HA3  GLY  21           HA1      GLY  21  10.592   3.123   1.066
  125    H    THR  22           HN       THR  22  10.917   6.091   2.362
  126    HA   THR  22           HA       THR  22  11.399   5.185   5.003
  127    HB   THR  22           HB       THR  22  11.054   8.025   4.021
  128    HG1  THR  22           HG1      THR  22  13.321   6.298   4.098
  129   HG21  THR  22          HG21      THR  22  10.972   7.806   6.460
  130   HG22  THR  22          HG22      THR  22  12.448   8.622   5.938
  131   HG23  THR  22          HG23      THR  22  12.504   6.930   6.434
  132    H    ASP  23           HN       ASP  23  10.084   5.106   6.730
  133    HA   ASP  23           HA       ASP  23   8.216   5.184   8.015
  134    HB2  ASP  23           HB2      ASP  23   8.884   7.636   7.902
  135    HB3  ASP  23           HB1      ASP  23   7.645   7.829   6.670
  136    H    VAL  24           HN       VAL  24   7.892   3.593   5.935
  137    HA   VAL  24           HA       VAL  24   5.587   4.385   4.354
  138    HB   VAL  24           HB       VAL  24   7.682   3.204   3.446
  139   HG11  VAL  24          HG11      VAL  24   7.612   0.759   3.448
  140   HG12  VAL  24          HG12      VAL  24   6.275   0.813   4.596
  141   HG13  VAL  24          HG13      VAL  24   7.861   1.429   5.060
  142   HG21  VAL  24          HG21      VAL  24   6.421   2.078   1.727
  143   HG22  VAL  24          HG22      VAL  24   5.649   3.604   2.159
  144   HG23  VAL  24          HG23      VAL  24   4.984   2.081   2.751
  145    H    LEU  25           HN       LEU  25   3.652   3.187   4.257
  146    HA   LEU  25           HA       LEU  25   3.044   1.777   6.749
  147    HB2  LEU  25           HB2      LEU  25   1.284   3.097   4.684
  148    HB3  LEU  25           HB1      LEU  25   0.654   2.126   6.003
  149    HG   LEU  25           HG       LEU  25   2.333   4.602   6.396
  150   HD11  LEU  25          HD11      LEU  25   0.244   5.723   6.977
  151   HD12  LEU  25          HD12      LEU  25  -0.660   4.276   6.530
  152   HD13  LEU  25          HD13      LEU  25   0.233   5.172   5.302
  153   HD21  LEU  25          HD21      LEU  25   1.481   4.473   8.693
  154   HD22  LEU  25          HD22      LEU  25   2.409   3.038   8.260
  155   HD23  LEU  25          HD23      LEU  25   0.647   2.972   8.293
  156    H    ARG  26           HN       ARG  26   1.798  -0.152   6.704
  157    HA   ARG  26           HA       ARG  26   2.241  -1.743   4.258
  158    HB2  ARG  26           HB2      ARG  26   3.495  -2.269   6.488
  159    HB3  ARG  26           HB1      ARG  26   1.947  -2.916   7.010
  160    HG2  ARG  26           HG2      ARG  26   3.024  -4.790   6.210
  161    HG3  ARG  26           HG1      ARG  26   2.063  -4.293   4.815
  162    HD2  ARG  26           HD2      ARG  26   4.329  -4.859   4.132
  163    HD3  ARG  26           HD1      ARG  26   4.023  -3.138   3.891
  164    HE   ARG  26           HE       ARG  26   5.196  -3.635   6.436
  165   HH11  ARG  26          HH11      ARG  26   5.990  -3.440   3.029
  166   HH12  ARG  26          HH12      ARG  26   7.628  -2.936   3.312
  167   HH21  ARG  26          HH21      ARG  26   7.355  -2.992   6.805
  168   HH22  ARG  26          HH22      ARG  26   8.404  -2.686   5.459
  169    H    CYS  27           HN       CYS  27   0.545  -2.996   3.507
  170    HA   CYS  27           HA       CYS  27  -2.086  -2.309   4.404
  171    HB2  CYS  27           HB2      CYS  27  -1.367  -2.885   1.996
  172    HB3  CYS  27           HB1      CYS  27  -1.451  -4.578   2.501
  173    H    THR  28           HN       THR  28  -3.605  -3.634   5.398
  174    HA   THR  28           HA       THR  28  -2.487  -5.628   7.169
  175    HB   THR  28           HB       THR  28  -4.835  -5.670   8.095
  176    HG1  THR  28           HG1      THR  28  -6.262  -4.092   7.328
  177   HG21  THR  28          HG21      THR  28  -3.442  -2.994   7.924
  178   HG22  THR  28          HG22      THR  28  -3.103  -4.273   9.091
  179   HG23  THR  28          HG23      THR  28  -4.656  -3.439   9.122
  180    H    HIS  29           HN       HIS  29  -4.759  -5.528   4.465
  181    HA   HIS  29           HA       HIS  29  -5.378  -8.351   4.814
  182    HB2  HIS  29           HB2      HIS  29  -6.496  -6.191   3.064
  183    HB3  HIS  29           HB1      HIS  29  -6.827  -7.882   2.711
  184    HD1  HIS  29           HD1      HIS  29  -8.833  -8.810   3.814
  185    HD2  HIS  29           HD2      HIS  29  -7.325  -5.520   5.860
  186    HE1  HIS  29           HE1      HIS  29 -10.466  -8.365   5.675
  187    HE2  HIS  29           HE2      HIS  29  -9.584  -6.312   6.841
  188    H    CYS  30           HN       CYS  30  -3.134  -6.499   3.111
  189    HA   CYS  30           HA       CYS  30  -2.171  -8.912   1.850
  190    HB2  CYS  30           HB2      CYS  30  -2.138  -8.187  -0.374
  191    HB3  CYS  30           HB1      CYS  30  -3.716  -7.654   0.186
  192    H    ALA  31           HN       ALA  31  -0.044  -8.122   0.553
  193    HA   ALA  31           HA       ALA  31   1.461  -6.592   2.539
  194    HB1  ALA  31           HB1      ALA  31   2.477  -8.544   0.476
  195    HB2  ALA  31           HB2      ALA  31   2.240  -8.887   2.189
  196    HB3  ALA  31           HB3      ALA  31   3.454  -7.711   1.685
  197    H    ALA  32           HN       ALA  32   1.860  -4.580   2.006
  198    HA   ALA  32           HA       ALA  32   2.883  -3.867  -0.578
  199    HB1  ALA  32           HB1      ALA  32   0.219  -2.734   0.278
  200    HB2  ALA  32           HB2      ALA  32   0.470  -3.881  -1.037
  201    HB3  ALA  32           HB3      ALA  32   1.145  -2.256  -1.144
  202    H    ALA  33           HN       ALA  33   4.185  -2.143  -0.409
  203    HA   ALA  33           HA       ALA  33   4.158  -0.628   2.116
  204    HB1  ALA  33           HB1      ALA  33   6.351  -0.884   0.061
  205    HB2  ALA  33           HB2      ALA  33   6.258  -1.773   1.581
  206    HB3  ALA  33           HB3      ALA  33   6.454  -0.020   1.595
  207    H    PHE  34           HN       PHE  34   3.089   1.205   1.991
  208    HA   PHE  34           HA       PHE  34   3.567   3.048  -0.193
  209    HB2  PHE  34           HB2      PHE  34   1.197   3.290  -0.771
  210    HB3  PHE  34           HB1      PHE  34   1.739   1.642  -1.068
  211    HD1  PHE  34           HD2      PHE  34   1.138  -0.148   0.593
  212    HD2  PHE  34           HD1      PHE  34  -0.591   3.739   0.685
  213    HE1  PHE  34           HE2      PHE  34  -0.706  -1.004   1.978
  214    HE2  PHE  34           HE1      PHE  34  -2.437   2.890   2.069
  215    HZ   PHE  34           HZ       PHE  34  -2.501   0.520   2.713
  216    H    HIS  35           HN       HIS  35   2.738   5.188   0.291
  217    HA   HIS  35           HA       HIS  35   2.306   5.607   3.148
  218    HB2  HIS  35           HB2      HIS  35   2.728   7.611   0.921
  219    HB3  HIS  35           HB1      HIS  35   2.505   8.026   2.616
  220    HD2  HIS  35           HD2      HIS  35   4.622   6.016   3.989
  221    HE1  HIS  35           HE1      HIS  35   7.364   7.765   1.277
  222    HE2  HIS  35           HE2      HIS  35   7.108   6.640   3.545
  223    H    TRP  36           HN       TRP  36   0.494   6.652   3.964
  224    HA   TRP  36           HA       TRP  36  -1.953   5.978   2.823
  225    HB2  TRP  36           HB2      TRP  36  -1.552   6.513   5.233
  226    HB3  TRP  36           HB1      TRP  36  -1.441   8.214   4.796
  227    HD1  TRP  36           HD1      TRP  36  -3.614   9.483   5.204
  228    HE1  TRP  36           HE1      TRP  36  -6.119   8.896   5.266
  229    HE3  TRP  36           HE3      TRP  36  -3.317   4.536   3.970
  230    HZ2  TRP  36           HZ2      TRP  36  -7.752   6.633   4.831
  231    HZ3  TRP  36           HZ3      TRP  36  -5.396   3.228   3.812
  232    HH2  TRP  36           HH2      TRP  36  -7.567   4.258   4.234
  233    H    ARG  37           HN       ARG  37  -0.351   9.151   2.948
  234    HA   ARG  37           HA       ARG  37  -2.369  10.558   1.581
  235    HB2  ARG  37           HB2      ARG  37   0.563  11.201   1.885
  236    HB3  ARG  37           HB1      ARG  37  -0.650  12.321   1.281
  237    HG2  ARG  37           HG2      ARG  37  -1.837  12.125   3.447
  238    HG3  ARG  37           HG1      ARG  37  -0.503  11.127   4.038
  239    HD2  ARG  37           HD2      ARG  37  -0.219  13.446   4.726
  240    HD3  ARG  37           HD1      ARG  37   1.056  12.962   3.610
  241    HE   ARG  37           HE       ARG  37  -1.205  14.239   2.352
  242   HH11  ARG  37          HH11      ARG  37   1.934  14.702   3.838
  243   HH12  ARG  37          HH12      ARG  37   2.190  16.252   3.100
  244   HH21  ARG  37          HH21      ARG  37  -0.872  16.254   1.372
  245   HH22  ARG  37          HH22      ARG  37   0.584  17.144   1.699
  246    H    CYS  38           HN       CYS  38   0.508   8.895   0.404
  247    HA   CYS  38           HA       CYS  38   0.479   9.986  -2.197
  248    HB2  CYS  38           HB2      CYS  38   1.615   7.370  -1.196
  249    HB3  CYS  38           HB1      CYS  38   1.937   8.063  -2.780
  250    H    HIS  39           HN       HIS  39  -1.376   7.498  -0.697
  251    HA   HIS  39           HA       HIS  39  -2.416   6.615  -3.295
  252    HB2  HIS  39           HB2      HIS  39  -2.423   5.418  -0.551
  253    HB3  HIS  39           HB1      HIS  39  -3.672   4.947  -1.696
  254    HD1  HIS  39           HD1      HIS  39  -3.033   2.723  -2.539
  255    HD2  HIS  39           HD2      HIS  39   0.234   5.271  -2.312
  256    HE1  HIS  39           HE1      HIS  39  -1.104   1.416  -3.456
  257    HE2  HIS  39           HE2      HIS  39   0.817   3.044  -3.490
  258    H    PHE  40           HN       PHE  40  -3.567   7.611  -0.099
  259    HA   PHE  40           HA       PHE  40  -6.150   8.328  -1.305
  260    HB2  PHE  40           HB2      PHE  40  -5.459   7.788   1.595
  261    HB3  PHE  40           HB1      PHE  40  -7.066   8.133   0.965
  262    HD1  PHE  40           HD1      PHE  40  -4.373   5.645   1.130
  263    HD2  PHE  40           HD2      PHE  40  -8.350   6.450  -0.148
  264    HE1  PHE  40           HE1      PHE  40  -4.738   3.241   0.765
  265    HE2  PHE  40           HE2      PHE  40  -8.721   4.045  -0.516
  266    HZ   PHE  40           HZ       PHE  40  -6.908   2.437  -0.059
  267    HA   PRO  41           HA       PRO  41  -4.982  12.609  -0.828
  268    HB2  PRO  41           HB2      PRO  41  -7.930  12.952  -0.672
  269    HB3  PRO  41           HB1      PRO  41  -6.759  13.746  -1.727
  270    HG2  PRO  41           HG2      PRO  41  -8.367  11.862  -2.680
  271    HG3  PRO  41           HG1      PRO  41  -6.672  11.955  -3.201
  272    HD2  PRO  41           HD2      PRO  41  -7.960  10.091  -1.251
  273    HD3  PRO  41           HD1      PRO  41  -6.706   9.766  -2.465
  274    H    ALA  42           HN       ALA  42  -5.352  14.361   0.662
  275    HA   ALA  42           HA       ALA  42  -5.105  13.447   3.317
  276    HB1  ALA  42           HB1      ALA  42  -3.911  15.398   2.481
  277    HB2  ALA  42           HB2      ALA  42  -4.865  15.799   3.909
  278    HB3  ALA  42           HB3      ALA  42  -5.436  16.262   2.307
  279    H    GLY  43           HN       GLY  43  -7.869  14.190   1.505
  280    HA2  GLY  43           HA2      GLY  43  -9.544  14.981   3.701
  281    HA3  GLY  43           HA1      GLY  43 -10.082  14.491   2.101
  282    H    THR  44           HN       THR  44  -8.244  12.034   2.624
  283    HA   THR  44           HA       THR  44 -10.370  10.401   3.767
  284    HB   THR  44           HB       THR  44  -7.724   9.468   2.636
  285    HG1  THR  44           HG1      THR  44  -9.361  10.811   1.264
  286   HG21  THR  44          HG21      THR  44  -9.059   7.849   3.971
  287   HG22  THR  44          HG22      THR  44  -8.870   7.374   2.284
  288   HG23  THR  44          HG23      THR  44 -10.393   8.070   2.839
  289    H    SER  45           HN       SER  45 -10.323   9.685   5.820
  290    HA   SER  45           HA       SER  45  -8.010  10.348   7.453
  291    HB2  SER  45           HB2      SER  45 -10.740   9.288   8.222
  292    HB3  SER  45           HB1      SER  45  -9.489   9.799   9.356
  293    HG   SER  45           HG       SER  45 -11.148  11.321   7.715
  294    H    ARG  46           HN       ARG  46  -6.655   8.925   8.376
  295    HA   ARG  46           HA       ARG  46  -6.522   6.307   7.276
  296    HB2  ARG  46           HB2      ARG  46  -4.516   6.056   8.678
  297    HB3  ARG  46           HB1      ARG  46  -4.496   7.550   7.763
  298    HG2  ARG  46           HG2      ARG  46  -5.134   8.806   9.734
  299    HG3  ARG  46           HG1      ARG  46  -5.258   7.315  10.667
  300    HD2  ARG  46           HD2      ARG  46  -2.736   8.303   9.343
  301    HD3  ARG  46           HD1      ARG  46  -3.140   8.560  11.040
  302    HE   ARG  46           HE       ARG  46  -3.327   5.870  10.752
  303   HH11  ARG  46          HH11      ARG  46  -0.823   8.196  10.003
  304   HH12  ARG  46          HH12      ARG  46   0.473   7.081  10.286
  305   HH21  ARG  46          HH21      ARG  46  -1.625   4.401  11.129
  306   HH22  ARG  46          HH22      ARG  46   0.019   4.920  10.941
  307    HA   PRO  47           HA       PRO  47  -9.126   4.377  10.311
  308    HB2  PRO  47           HB2      PRO  47  -8.866   1.842   9.425
  309    HB3  PRO  47           HB1      PRO  47  -9.833   3.052   8.574
  310    HG2  PRO  47           HG2      PRO  47  -7.064   2.094   7.993
  311    HG3  PRO  47           HG1      PRO  47  -8.389   2.427   6.866
  312    HD2  PRO  47           HD2      PRO  47  -6.333   4.157   7.322
  313    HD3  PRO  47           HD1      PRO  47  -7.961   4.679   6.841
  314    H    GLY  48           HN       GLY  48  -8.854   3.393  12.260
  315    HA2  GLY  48           HA2      GLY  48  -6.114   2.605  12.956
  316    HA3  GLY  48           HA1      GLY  48  -7.381   3.040  14.093
  317    H    THR  49           HN       THR  49  -9.064   1.191  12.148
  318    HA   THR  49           HA       THR  49  -8.684  -1.164  13.798
  319    HB   THR  49           HB       THR  49 -10.968  -0.201  13.272
  320    HG1  THR  49           HG1      THR  49 -10.566  -2.411  13.999
  321   HG21  THR  49          HG21      THR  49 -11.988  -0.807  11.148
  322   HG22  THR  49          HG22      THR  49 -10.476  -1.535  10.611
  323   HG23  THR  49          HG23      THR  49 -10.569   0.204  10.874
  324    H    GLY  50           HN       GLY  50  -7.257  -0.075  11.105
  325    HA2  GLY  50           HA2      GLY  50  -5.727  -2.029  10.300
  326    HA3  GLY  50           HA1      GLY  50  -7.255  -2.616   9.659
  327    H    LEU  51           HN       LEU  51  -4.534  -1.020   8.861
  328    HA   LEU  51           HA       LEU  51  -5.728   0.935   7.076
  329    HB2  LEU  51           HB2      LEU  51  -3.554   1.164   8.463
  330    HB3  LEU  51           HB1      LEU  51  -2.830   0.269   7.138
  331    HG   LEU  51           HG       LEU  51  -4.501   2.535   6.312
  332   HD11  LEU  51          HD11      LEU  51  -3.544   3.476   8.303
  333   HD12  LEU  51          HD12      LEU  51  -2.807   4.197   6.870
  334   HD13  LEU  51          HD13      LEU  51  -1.929   2.980   7.800
  335   HD21  LEU  51          HD21      LEU  51  -3.204   1.219   4.755
  336   HD22  LEU  51          HD22      LEU  51  -1.718   1.620   5.618
  337   HD23  LEU  51          HD23      LEU  51  -2.631   2.884   4.794
  338    H    ARG  52           HN       ARG  52  -6.189   0.562   5.015
  339    HA   ARG  52           HA       ARG  52  -5.157  -1.913   3.801
  340    HB2  ARG  52           HB2      ARG  52  -7.948  -0.764   3.702
  341    HB3  ARG  52           HB1      ARG  52  -7.393  -2.056   2.648
  342    HG2  ARG  52           HG2      ARG  52  -6.993  -3.486   4.561
  343    HG3  ARG  52           HG1      ARG  52  -7.456  -2.181   5.656
  344    HD2  ARG  52           HD2      ARG  52  -9.265  -3.369   3.562
  345    HD3  ARG  52           HD1      ARG  52  -9.247  -3.868   5.252
  346    HE   ARG  52           HE       ARG  52  -9.684  -1.286   5.549
  347   HH11  ARG  52          HH11      ARG  52 -11.089  -3.483   3.212
  348   HH12  ARG  52          HH12      ARG  52 -12.596  -2.623   3.114
  349   HH21  ARG  52          HH21      ARG  52 -11.653  -0.169   5.449
  350   HH22  ARG  52          HH22      ARG  52 -12.913  -0.732   4.397
  351    H    CYS  53           HN       CYS  53  -4.559  -1.847   1.706
  352    HA   CYS  53           HA       CYS  53  -4.120   0.666   0.433
  353    HB2  CYS  53           HB2      CYS  53  -3.064  -0.576  -1.300
  354    HB3  CYS  53           HB1      CYS  53  -2.705  -1.446   0.187
  355    H    ARG  54           HN       ARG  54  -4.925   0.979  -1.950
  356    HA   ARG  54           HA       ARG  54  -7.658   1.436  -1.767
  357    HB2  ARG  54           HB2      ARG  54  -7.620   1.924  -4.191
  358    HB3  ARG  54           HB1      ARG  54  -6.323   2.715  -3.310
  359    HG2  ARG  54           HG2      ARG  54  -4.711   1.198  -4.146
  360    HG3  ARG  54           HG1      ARG  54  -5.955   0.137  -4.806
  361    HD2  ARG  54           HD2      ARG  54  -4.861   1.487  -6.543
  362    HD3  ARG  54           HD1      ARG  54  -6.585   1.831  -6.419
  363    HE   ARG  54           HE       ARG  54  -5.472   3.715  -4.834
  364   HH11  ARG  54          HH11      ARG  54  -4.821   2.714  -8.126
  365   HH12  ARG  54          HH12      ARG  54  -4.363   4.302  -8.647
  366   HH21  ARG  54          HH21      ARG  54  -4.863   5.796  -5.516
  367   HH22  ARG  54          HH22      ARG  54  -4.388   6.060  -7.164
  368    H    SER  55           HN       SER  55  -5.980  -1.342  -3.092
  369    HA   SER  55           HA       SER  55  -8.199  -2.493  -4.408
  370    HB2  SER  55           HB2      SER  55  -5.839  -3.127  -4.845
  371    HB3  SER  55           HB1      SER  55  -5.766  -3.875  -3.253
  372    HG   SER  55           HG       SER  55  -6.473  -5.037  -5.440
  373    H    CYS  56           HN       CYS  56  -6.792  -3.068  -1.191
  374    HA   CYS  56           HA       CYS  56  -8.781  -4.974  -0.466
  375    HB2  CYS  56           HB2      CYS  56  -6.800  -3.480   1.248
  376    HB3  CYS  56           HB1      CYS  56  -7.791  -4.828   1.793
  377    H    SER  57           HN       SER  57  -8.573  -1.500  -0.222
  378    HA   SER  57           HA       SER  57 -10.729  -1.377   1.729
  379    HB2  SER  57           HB2      SER  57 -10.408   1.083   1.552
  380    HB3  SER  57           HB1      SER  57  -8.920   0.230   1.961
  381    HG   SER  57           HG       SER  57  -9.141   1.926   0.083
  382    H    GLY  58           HN       GLY  58 -10.622  -1.959  -1.466
  383    HA2  GLY  58           HA2      GLY  58 -12.859  -0.229  -2.210
  384    HA3  GLY  58           HA1      GLY  58 -11.933  -1.254  -3.298
  385    H    ASP  59           HN       ASP  59 -13.605  -1.981  -0.257
  386    HA   ASP  59           HA       ASP  59 -15.092  -4.075  -1.695
  387    HB2  ASP  59           HB2      ASP  59 -15.160  -5.344   0.327
  388    HB3  ASP  59           HB1      ASP  59 -13.502  -4.790   0.143
  389    H    VAL  60           HN       VAL  60 -15.716  -1.156  -1.289
  390    HA   VAL  60           HA       VAL  60 -18.029  -1.227   0.478
  391    HB   VAL  60           HB       VAL  60 -17.117   1.095  -1.227
  392   HG11  VAL  60          HG11      VAL  60 -18.294   2.449   0.423
  393   HG12  VAL  60          HG12      VAL  60 -18.733   0.995   1.318
  394   HG13  VAL  60          HG13      VAL  60 -19.378   1.261  -0.302
  395   HG21  VAL  60          HG21      VAL  60 -15.247   0.361   0.156
  396   HG22  VAL  60          HG22      VAL  60 -16.274   0.419   1.588
  397   HG23  VAL  60          HG23      VAL  60 -15.884   1.904   0.724
  398    H    THR  61           HN       THR  61 -18.947  -2.904  -0.983
  399    HA   THR  61           HA       THR  61 -20.234  -1.756  -3.356
  400    HB   THR  61           HB       THR  61 -20.783  -4.262  -3.759
  401    HG1  THR  61           HG1      THR  61 -19.075  -5.594  -2.774
  402   HG21  THR  61          HG21      THR  61 -19.204  -2.982  -5.121
  403   HG22  THR  61          HG22      THR  61 -18.605  -4.618  -4.841
  404   HG23  THR  61          HG23      THR  61 -17.935  -3.265  -3.930
  405    HA   PRO  62           HA       PRO  62 -23.965  -1.753  -0.890
  406    HB2  PRO  62           HB2      PRO  62 -25.657  -0.936  -2.844
  407    HB3  PRO  62           HB1      PRO  62 -24.553   0.165  -2.013
  408    HG2  PRO  62           HG2      PRO  62 -24.276  -1.132  -4.692
  409    HG3  PRO  62           HG1      PRO  62 -23.880   0.526  -4.202
  410    HD2  PRO  62           HD2      PRO  62 -22.010  -1.438  -4.474
  411    HD3  PRO  62           HD1      PRO  62 -21.841  -0.087  -3.336
  412    H    ALA  63           HN       ALA  63 -25.329  -3.352  -0.432
  413    HA   ALA  63           HA       ALA  63 -25.385  -5.752  -1.884
  414    HB1  ALA  63           HB1      ALA  63 -27.293  -4.757   0.231
  415    HB2  ALA  63           HB2      ALA  63 -25.810  -5.670   0.511
  416    HB3  ALA  63           HB3      ALA  63 -27.164  -6.423  -0.331
  417    HA   PRO  64           HA       PRO  64 -28.442  -4.630  -4.946
  418    HB2  PRO  64           HB2      PRO  64 -28.662  -7.074  -6.102
  419    HB3  PRO  64           HB1      PRO  64 -27.287  -6.001  -6.395
  420    HG2  PRO  64           HG2      PRO  64 -27.503  -8.352  -4.558
  421    HG3  PRO  64           HG1      PRO  64 -26.166  -7.885  -5.624
  422    HD2  PRO  64           HD2      PRO  64 -26.172  -7.396  -2.950
  423    HD3  PRO  64           HD1      PRO  64 -25.340  -6.354  -4.121
  424    H    VAL  65           HN       VAL  65 -30.072  -4.273  -3.338
  425    HA   VAL  65           HA       VAL  65 -31.616  -6.568  -2.437
  426    HB   VAL  65           HB       VAL  65 -31.985  -3.632  -1.810
  427   HG11  VAL  65          HG11      VAL  65 -33.194  -6.081  -0.529
  428   HG12  VAL  65          HG12      VAL  65 -34.042  -4.900  -1.527
  429   HG13  VAL  65          HG13      VAL  65 -33.388  -4.422   0.039
  430   HG21  VAL  65          HG21      VAL  65 -29.857  -4.428  -0.976
  431   HG22  VAL  65          HG22      VAL  65 -30.639  -5.826  -0.237
  432   HG23  VAL  65          HG23      VAL  65 -30.977  -4.205   0.369
  433    H    GLU  66           HN       GLU  66 -33.147  -7.326  -3.708
  434    HA   GLU  66           HA       GLU  66 -35.024  -5.511  -4.980
  435    HB2  GLU  66           HB2      GLU  66 -33.200  -5.859  -6.644
  436    HB3  GLU  66           HB1      GLU  66 -33.514  -7.587  -6.581
  437    HG2  GLU  66           HG2      GLU  66 -34.547  -6.631  -8.533
  438    HG3  GLU  66           HG1      GLU  66 -35.790  -7.186  -7.412
  Start of MODEL   50
    1    H1   GLY   1           HT1      GLY   1  17.796 -17.978   9.924
    2    H2   GLY   1           HT2      GLY   1  16.792 -17.925  11.283
    3    H3   GLY   1           HT3      GLY   1  17.859 -16.655  10.970
    4    HA2  GLY   1           HA1      GLY   1  15.550 -17.420   9.279
    5    HA3  GLY   1           HA2      GLY   1  15.585 -16.062  10.391
    6    H    ALA   2           HN       ALA   2  17.069 -14.321   9.954
    7    HA   ALA   2           HA       ALA   2  17.053 -13.715   7.138
    8    HB1  ALA   2           HB1      ALA   2  16.379 -12.034   8.778
    9    HB2  ALA   2           HB2      ALA   2  17.760 -11.482   7.828
   10    HB3  ALA   2           HB3      ALA   2  17.998 -12.061   9.476
   11    H    MET   3           HN       MET   3  18.595 -15.126   6.278
   12    HA   MET   3           HA       MET   3  21.389 -14.807   7.046
   13    HB2  MET   3           HB2      MET   3  20.126 -16.387   4.788
   14    HB3  MET   3           HB1      MET   3  21.821 -16.445   5.246
   15    HG2  MET   3           HG2      MET   3  21.231 -17.397   7.396
   16    HG3  MET   3           HG1      MET   3  19.520 -17.290   6.987
   17    HE1  MET   3           HE1      MET   3  20.915 -19.972   7.990
   18    HE2  MET   3           HE2      MET   3  20.206 -21.150   6.885
   19    HE3  MET   3           HE3      MET   3  19.205 -19.868   7.569
   20    H    GLU   4           HN       GLU   4  19.430 -14.451   4.119
   21    HA   GLU   4           HA       GLU   4  19.540 -13.093   2.331
   22    HB2  GLU   4           HB2      GLU   4  20.759 -11.221   4.360
   23    HB3  GLU   4           HB1      GLU   4  20.235 -10.738   2.751
   24    HG2  GLU   4           HG2      GLU   4  18.547 -11.749   5.018
   25    HG3  GLU   4           HG1      GLU   4  18.488 -10.170   4.234
   26    H    GLY   5           HN       GLY   5  21.303 -14.901   2.014
   27    HA2  GLY   5           HA2      GLY   5  23.787 -13.539   1.205
   28    HA3  GLY   5           HA1      GLY   5  23.594 -15.279   1.383
   29    H    GLN   6           HN       GLN   6  20.863 -14.851   0.049
   30    HA   GLN   6           HA       GLN   6  21.843 -14.627  -2.716
   31    HB2  GLN   6           HB2      GLN   6  19.910 -16.640  -1.568
   32    HB3  GLN   6           HB1      GLN   6  20.113 -16.372  -3.293
   33    HG2  GLN   6           HG2      GLN   6  22.365 -17.129  -3.227
   34    HG3  GLN   6           HG1      GLN   6  22.365 -17.156  -1.465
   35   HE21  GLN   6          HE21      GLN   6  22.905 -19.283  -3.419
   36   HE22  GLN   6          HE22      GLN   6  21.806 -20.558  -3.029
   37    H    GLN   7           HN       GLN   7  20.437 -12.808  -0.785
   38    HA   GLN   7           HA       GLN   7  18.820 -11.236  -0.737
   39    HB2  GLN   7           HB2      GLN   7  19.850 -10.694  -2.926
   40    HB3  GLN   7           HB1      GLN   7  18.676 -11.737  -3.713
   41    HG2  GLN   7           HG2      GLN   7  16.866 -10.304  -2.969
   42    HG3  GLN   7           HG1      GLN   7  18.013  -9.276  -2.111
   43   HE21  GLN   7          HE21      GLN   7  19.351  -7.909  -3.273
   44   HE22  GLN   7          HE22      GLN   7  19.066  -7.528  -4.934
   45    H    ASN   8           HN       ASN   8  17.474 -12.697   0.495
   46    HA   ASN   8           HA       ASN   8  15.303 -13.973  -1.003
   47    HB2  ASN   8           HB2      ASN   8  16.429 -15.257   0.809
   48    HB3  ASN   8           HB1      ASN   8  15.871 -14.057   1.970
   49   HD21  ASN   8          HD21      ASN   8  14.650 -15.515   3.132
   50   HD22  ASN   8          HD22      ASN   8  13.190 -16.208   2.519
   51    H    LEU   9           HN       LEU   9  15.768 -11.733   1.720
   52    HA   LEU   9           HA       LEU   9  13.055 -10.857   1.767
   53    HB2  LEU   9           HB2      LEU   9  14.580 -10.654   3.700
   54    HB3  LEU   9           HB1      LEU   9  15.551  -9.502   2.804
   55    HG   LEU   9           HG       LEU   9  13.559  -7.990   2.719
   56   HD11  LEU   9          HD11      LEU   9  12.429  -9.991   4.669
   57   HD12  LEU   9          HD12      LEU   9  11.815  -9.644   3.053
   58   HD13  LEU   9          HD13      LEU   9  11.743  -8.408   4.308
   59   HD21  LEU   9          HD21      LEU   9  13.763  -7.269   5.062
   60   HD22  LEU   9          HD22      LEU   9  15.328  -7.623   4.331
   61   HD23  LEU   9          HD23      LEU   9  14.593  -8.780   5.439
   62    H    ALA  10           HN       ALA  10  12.122  -9.730   0.207
   63    HA   ALA  10           HA       ALA  10  13.707  -8.389  -1.794
   64    HB1  ALA  10           HB1      ALA  10  11.569  -8.000  -2.917
   65    HB2  ALA  10           HB2      ALA  10  10.712  -8.616  -1.507
   66    HB3  ALA  10           HB3      ALA  10  11.746  -9.690  -2.448
   67    HA   PRO  11           HA       PRO  11  13.437  -4.373   0.135
   68    HB2  PRO  11           HB2      PRO  11  14.358  -2.924  -1.960
   69    HB3  PRO  11           HB1      PRO  11  15.419  -3.907  -0.944
   70    HG2  PRO  11           HG2      PRO  11  14.249  -4.534  -3.625
   71    HG3  PRO  11           HG1      PRO  11  15.896  -4.815  -3.031
   72    HD2  PRO  11           HD2      PRO  11  14.015  -6.769  -3.139
   73    HD3  PRO  11           HD1      PRO  11  15.297  -6.736  -1.911
   74    H    GLY  12           HN       GLY  12  10.991  -5.183  -0.385
   75    HA2  GLY  12           HA2      GLY  12   9.797  -3.454  -2.430
   76    HA3  GLY  12           HA1      GLY  12   9.006  -4.798  -1.620
   77    H    ALA  13           HN       ALA  13  10.775  -2.642   0.393
   78    HA   ALA  13           HA       ALA  13   8.231  -1.558   1.370
   79    HB1  ALA  13           HB1      ALA  13  10.944  -1.547   2.690
   80    HB2  ALA  13           HB2      ALA  13   9.648  -2.693   3.022
   81    HB3  ALA  13           HB3      ALA  13   9.435  -0.986   3.409
   82    H    ARG  14           HN       ARG  14   8.268  -0.225  -0.604
   83    HA   ARG  14           HA       ARG  14   9.400   2.384  -0.023
   84    HB2  ARG  14           HB2      ARG  14   9.963   0.926  -2.622
   85    HB3  ARG  14           HB1      ARG  14  10.290   2.630  -2.341
   86    HG2  ARG  14           HG2      ARG  14  11.925   2.093  -0.665
   87    HG3  ARG  14           HG1      ARG  14  11.522   0.380  -0.768
   88    HD2  ARG  14           HD2      ARG  14  12.265   0.411  -3.140
   89    HD3  ARG  14           HD1      ARG  14  12.791   2.079  -2.910
   90    HE   ARG  14           HE       ARG  14  14.002   0.658  -0.900
   91   HH11  ARG  14          HH11      ARG  14  14.014   0.536  -4.403
   92   HH12  ARG  14          HH12      ARG  14  15.614  -0.125  -4.495
   93   HH21  ARG  14          HH21      ARG  14  16.094  -0.226  -1.026
   94   HH22  ARG  14          HH22      ARG  14  16.794  -0.565  -2.576
   95    H    CYS  15           HN       CYS  15   7.928   3.907  -0.483
   96    HA   CYS  15           HA       CYS  15   5.360   3.268  -1.452
   97    HB2  CYS  15           HB2      CYS  15   5.679   5.173  -0.003
   98    HB3  CYS  15           HB1      CYS  15   6.795   5.913  -1.142
   99    H    GLY  16           HN       GLY  16   4.884   2.698  -3.469
  100    HA2  GLY  16           HA2      GLY  16   6.640   2.885  -5.633
  101    HA3  GLY  16           HA1      GLY  16   4.924   2.541  -5.756
  102    H    VAL  17           HN       VAL  17   4.364   5.179  -4.438
  103    HA   VAL  17           HA       VAL  17   4.203   6.720  -6.856
  104    HB   VAL  17           HB       VAL  17   3.458   7.532  -4.042
  105   HG11  VAL  17          HG11      VAL  17   1.956   9.126  -5.151
  106   HG12  VAL  17          HG12      VAL  17   2.596   8.628  -6.717
  107   HG13  VAL  17          HG13      VAL  17   3.648   9.427  -5.548
  108   HG21  VAL  17          HG21      VAL  17   2.289   5.496  -4.670
  109   HG22  VAL  17          HG22      VAL  17   1.770   6.241  -6.181
  110   HG23  VAL  17          HG23      VAL  17   1.173   6.863  -4.643
  111    H    CYS  18           HN       CYS  18   6.223   6.699  -4.002
  112    HA   CYS  18           HA       CYS  18   7.384   9.285  -4.786
  113    HB2  CYS  18           HB2      CYS  18   7.445   7.840  -2.135
  114    HB3  CYS  18           HB1      CYS  18   8.304   9.339  -2.468
  115    H    GLY  19           HN       GLY  19   8.290   6.013  -3.756
  116    HA2  GLY  19           HA2      GLY  19  10.208   4.924  -4.761
  117    HA3  GLY  19           HA1      GLY  19  10.984   6.502  -4.854
  118    H    ASP  20           HN       ASP  20   9.873   7.096  -2.116
  119    HA   ASP  20           HA       ASP  20  12.148   6.028  -0.658
  120    HB2  ASP  20           HB2      ASP  20  10.065   8.057   0.184
  121    HB3  ASP  20           HB1      ASP  20  11.530   7.660   1.074
  122    H    GLY  21           HN       GLY  21  11.983   4.988   1.360
  123    HA2  GLY  21           HA2      GLY  21   9.396   3.628   1.791
  124    HA3  GLY  21           HA1      GLY  21  10.966   2.975   2.248
  125    H    THR  22           HN       THR  22  10.915   6.230   2.893
  126    HA   THR  22           HA       THR  22  10.901   5.873   5.709
  127    HB   THR  22           HB       THR  22  10.670   8.456   4.149
  128    HG1  THR  22           HG1      THR  22  13.109   8.228   4.934
  129   HG21  THR  22          HG21      THR  22  11.672   9.477   6.140
  130   HG22  THR  22          HG22      THR  22  11.667   7.911   6.951
  131   HG23  THR  22          HG23      THR  22  10.143   8.694   6.532
  132    H    ASP  23           HN       ASP  23   9.245   5.898   7.092
  133    HA   ASP  23           HA       ASP  23   7.148   6.045   7.958
  134    HB2  ASP  23           HB2      ASP  23   7.112   8.477   6.172
  135    HB3  ASP  23           HB1      ASP  23   5.758   8.056   7.213
  136    H    VAL  24           HN       VAL  24   7.448   4.210   5.905
  137    HA   VAL  24           HA       VAL  24   5.253   4.613   4.050
  138    HB   VAL  24           HB       VAL  24   7.555   3.651   3.436
  139   HG11  VAL  24          HG11      VAL  24   7.741   1.987   5.174
  140   HG12  VAL  24          HG12      VAL  24   7.778   1.229   3.582
  141   HG13  VAL  24          HG13      VAL  24   6.311   1.160   4.559
  142   HG21  VAL  24          HG21      VAL  24   6.646   2.349   1.655
  143   HG22  VAL  24          HG22      VAL  24   5.606   3.743   1.952
  144   HG23  VAL  24          HG23      VAL  24   5.128   2.146   2.528
  145    H    LEU  25           HN       LEU  25   3.487   3.223   3.852
  146    HA   LEU  25           HA       LEU  25   2.898   1.663   6.276
  147    HB2  LEU  25           HB2      LEU  25   1.035   3.164   4.430
  148    HB3  LEU  25           HB1      LEU  25   0.510   2.144   5.755
  149    HG   LEU  25           HG       LEU  25   2.193   4.629   6.067
  150   HD11  LEU  25          HD11      LEU  25  -0.046   5.170   5.276
  151   HD12  LEU  25          HD12      LEU  25   0.162   5.651   6.961
  152   HD13  LEU  25          HD13      LEU  25  -0.748   4.192   6.565
  153   HD21  LEU  25          HD21      LEU  25   2.570   3.020   7.842
  154   HD22  LEU  25          HD22      LEU  25   0.833   2.861   8.095
  155   HD23  LEU  25          HD23      LEU  25   1.639   4.389   8.447
  156    H    ARG  26           HN       ARG  26   1.811  -0.306   6.036
  157    HA   ARG  26           HA       ARG  26   1.873  -1.447   3.313
  158    HB2  ARG  26           HB2      ARG  26   2.478  -2.783   5.961
  159    HB3  ARG  26           HB1      ARG  26   2.248  -3.662   4.461
  160    HG2  ARG  26           HG2      ARG  26   4.566  -3.522   4.778
  161    HG3  ARG  26           HG1      ARG  26   4.187  -2.331   3.534
  162    HD2  ARG  26           HD2      ARG  26   4.464  -0.535   5.012
  163    HD3  ARG  26           HD1      ARG  26   4.371  -1.575   6.433
  164    HE   ARG  26           HE       ARG  26   6.589  -2.211   4.735
  165   HH11  ARG  26          HH11      ARG  26   5.516  -0.032   7.270
  166   HH12  ARG  26          HH12      ARG  26   7.115   0.228   7.887
  167   HH21  ARG  26          HH21      ARG  26   8.689  -1.870   5.566
  168   HH22  ARG  26          HH22      ARG  26   8.916  -0.809   6.919
  169    H    CYS  27           HN       CYS  27   0.114  -2.814   2.740
  170    HA   CYS  27           HA       CYS  27  -2.314  -2.393   4.157
  171    HB2  CYS  27           HB2      CYS  27  -2.263  -2.904   1.701
  172    HB3  CYS  27           HB1      CYS  27  -1.792  -4.569   2.088
  173    H    THR  28           HN       THR  28  -3.360  -3.663   5.639
  174    HA   THR  28           HA       THR  28  -1.765  -5.689   6.942
  175    HB   THR  28           HB       THR  28  -3.089  -3.991   8.221
  176    HG1  THR  28           HG1      THR  28  -3.839  -5.567   9.761
  177   HG21  THR  28          HG21      THR  28  -5.497  -4.466   8.507
  178   HG22  THR  28          HG22      THR  28  -5.376  -5.664   7.220
  179   HG23  THR  28          HG23      THR  28  -5.077  -3.965   6.870
  180    H    HIS  29           HN       HIS  29  -3.580  -5.786   4.286
  181    HA   HIS  29           HA       HIS  29  -4.324  -8.596   4.761
  182    HB2  HIS  29           HB2      HIS  29  -5.842  -6.531   3.165
  183    HB3  HIS  29           HB1      HIS  29  -6.161  -8.258   3.067
  184    HD1  HIS  29           HD1      HIS  29  -6.948  -9.382   5.418
  185    HD2  HIS  29           HD2      HIS  29  -7.190  -5.245   5.138
  186    HE1  HIS  29           HE1      HIS  29  -8.480  -8.669   7.275
  187    HE2  HIS  29           HE2      HIS  29  -8.788  -6.191   6.931
  188    H    CYS  30           HN       CYS  30  -2.430  -6.466   3.076
  189    HA   CYS  30           HA       CYS  30  -1.783  -8.453   1.038
  190    HB2  CYS  30           HB2      CYS  30  -2.155  -5.564   0.257
  191    HB3  CYS  30           HB1      CYS  30  -1.945  -6.955  -0.797
  192    H    ALA  31           HN       ALA  31   0.159  -7.543  -0.262
  193    HA   ALA  31           HA       ALA  31   2.000  -6.223   1.594
  194    HB1  ALA  31           HB1      ALA  31   3.798  -7.099   0.166
  195    HB2  ALA  31           HB2      ALA  31   2.593  -7.846  -0.884
  196    HB3  ALA  31           HB3      ALA  31   2.771  -8.393   0.783
  197    H    ALA  32           HN       ALA  32   2.093  -4.112   1.278
  198    HA   ALA  32           HA       ALA  32   2.693  -3.000  -1.289
  199    HB1  ALA  32           HB1      ALA  32   0.244  -3.281  -1.482
  200    HB2  ALA  32           HB2      ALA  32   0.740  -1.592  -1.529
  201    HB3  ALA  32           HB3      ALA  32   0.037  -2.265  -0.058
  202    H    ALA  33           HN       ALA  33   4.288  -1.714  -0.644
  203    HA   ALA  33           HA       ALA  33   4.040  -0.160   1.822
  204    HB1  ALA  33           HB1      ALA  33   6.366   0.373   1.512
  205    HB2  ALA  33           HB2      ALA  33   6.357  -0.346  -0.096
  206    HB3  ALA  33           HB3      ALA  33   6.138  -1.364   1.326
  207    H    PHE  34           HN       PHE  34   2.994   1.680   1.679
  208    HA   PHE  34           HA       PHE  34   3.719   3.617  -0.349
  209    HB2  PHE  34           HB2      PHE  34   1.397   4.021  -1.059
  210    HB3  PHE  34           HB1      PHE  34   1.903   2.383  -1.453
  211    HD1  PHE  34           HD2      PHE  34   0.962   0.472  -0.280
  212    HD2  PHE  34           HD1      PHE  34  -0.312   4.439   0.587
  213    HE1  PHE  34           HE2      PHE  34  -1.012  -0.420   0.882
  214    HE2  PHE  34           HE1      PHE  34  -2.288   3.551   1.754
  215    HZ   PHE  34           HZ       PHE  34  -2.639   1.121   1.901
  216    H    HIS  35           HN       HIS  35   2.985   5.761   0.212
  217    HA   HIS  35           HA       HIS  35   2.412   6.088   3.043
  218    HB2  HIS  35           HB2      HIS  35   2.664   8.239   0.921
  219    HB3  HIS  35           HB1      HIS  35   2.657   8.481   2.661
  220    HD2  HIS  35           HD2      HIS  35   4.969   6.512   3.619
  221    HE1  HIS  35           HE1      HIS  35   7.320   8.411   0.653
  222    HE2  HIS  35           HE2      HIS  35   7.362   7.196   2.889
  223    H    TRP  36           HN       TRP  36   0.432   6.800   3.847
  224    HA   TRP  36           HA       TRP  36  -1.855   5.955   2.585
  225    HB2  TRP  36           HB2      TRP  36  -1.749   6.473   4.982
  226    HB3  TRP  36           HB1      TRP  36  -1.648   8.191   4.610
  227    HD1  TRP  36           HD1      TRP  36  -3.886   9.466   4.401
  228    HE1  TRP  36           HE1      TRP  36  -6.370   8.795   4.364
  229    HE3  TRP  36           HE3      TRP  36  -3.339   4.393   4.154
  230    HZ2  TRP  36           HZ2      TRP  36  -7.893   6.415   4.244
  231    HZ3  TRP  36           HZ3      TRP  36  -5.356   2.989   4.080
  232    HH2  TRP  36           HH2      TRP  36  -7.587   3.981   4.126
  233    H    ARG  37           HN       ARG  37  -0.617   9.281   2.688
  234    HA   ARG  37           HA       ARG  37  -2.775  10.428   1.250
  235    HB2  ARG  37           HB2      ARG  37   0.032  11.490   1.599
  236    HB3  ARG  37           HB1      ARG  37  -1.382  12.423   1.129
  237    HG2  ARG  37           HG2      ARG  37  -2.384  12.104   3.282
  238    HG3  ARG  37           HG1      ARG  37  -1.098  10.996   3.764
  239    HD2  ARG  37           HD2      ARG  37   0.522  12.872   3.439
  240    HD3  ARG  37           HD1      ARG  37  -0.854  13.943   3.181
  241    HE   ARG  37           HE       ARG  37  -1.425  12.828   5.568
  242   HH11  ARG  37          HH11      ARG  37   1.430  14.409   4.304
  243   HH12  ARG  37          HH12      ARG  37   1.962  14.970   5.858
  244   HH21  ARG  37          HH21      ARG  37  -0.730  13.573   7.611
  245   HH22  ARG  37          HH22      ARG  37   0.732  14.502   7.737
  246    H    CYS  38           HN       CYS  38  -0.247   8.496   0.168
  247    HA   CYS  38           HA       CYS  38  -0.055   9.759  -2.441
  248    HB2  CYS  38           HB2      CYS  38   1.300   7.273  -1.380
  249    HB3  CYS  38           HB1      CYS  38   1.680   8.101  -2.892
  250    H    HIS  39           HN       HIS  39  -1.737   7.195  -0.893
  251    HA   HIS  39           HA       HIS  39  -2.698   6.203  -3.487
  252    HB2  HIS  39           HB2      HIS  39  -2.589   5.049  -0.751
  253    HB3  HIS  39           HB1      HIS  39  -3.955   4.592  -1.760
  254    HD1  HIS  39           HD1      HIS  39  -3.135   2.175  -1.894
  255    HD2  HIS  39           HD2      HIS  39  -0.453   4.931  -3.458
  256    HE1  HIS  39           HE1      HIS  39  -1.417   0.809  -3.100
  257    HE2  HIS  39           HE2      HIS  39   0.083   2.512  -4.217
  258    H    PHE  40           HN       PHE  40  -3.702   7.758  -0.514
  259    HA   PHE  40           HA       PHE  40  -6.387   8.160  -1.665
  260    HB2  PHE  40           HB2      PHE  40  -5.718   7.828   1.270
  261    HB3  PHE  40           HB1      PHE  40  -7.325   8.000   0.573
  262    HD1  PHE  40           HD2      PHE  40  -8.352   6.165  -0.647
  263    HD2  PHE  40           HD1      PHE  40  -4.547   5.738   1.204
  264    HE1  PHE  40           HE2      PHE  40  -8.539   3.721  -0.844
  265    HE2  PHE  40           HE1      PHE  40  -4.725   3.293   1.013
  266    HZ   PHE  40           HZ       PHE  40  -6.691   2.280  -0.008
  267    HA   PRO  41           HA       PRO  41  -5.779  12.545  -0.983
  268    HB2  PRO  41           HB2      PRO  41  -8.360  13.123  -0.134
  269    HB3  PRO  41           HB1      PRO  41  -7.832  13.078  -1.819
  270    HG2  PRO  41           HG2      PRO  41  -9.248  10.999  -0.215
  271    HG3  PRO  41           HG1      PRO  41  -9.470  11.451  -1.914
  272    HD2  PRO  41           HD2      PRO  41  -8.129   9.241  -1.223
  273    HD3  PRO  41           HD1      PRO  41  -7.624  10.230  -2.607
  274    H    ALA  42           HN       ALA  42  -5.348  13.845   0.718
  275    HA   ALA  42           HA       ALA  42  -4.814  12.624   3.189
  276    HB1  ALA  42           HB1      ALA  42  -4.081  14.821   3.925
  277    HB2  ALA  42           HB2      ALA  42  -4.877  15.566   2.539
  278    HB3  ALA  42           HB3      ALA  42  -3.505  14.488   2.291
  279    H    GLY  43           HN       GLY  43  -7.673  14.095   2.021
  280    HA2  GLY  43           HA2      GLY  43  -8.800  14.832   4.538
  281    HA3  GLY  43           HA1      GLY  43  -9.680  14.590   3.036
  282    H    THR  44           HN       THR  44  -8.461  11.837   2.830
  283    HA   THR  44           HA       THR  44 -10.562  10.455   4.215
  284    HB   THR  44           HB       THR  44  -8.202   9.256   2.744
  285    HG1  THR  44           HG1      THR  44 -10.173  10.787   1.793
  286   HG21  THR  44          HG21      THR  44  -9.670   7.344   2.419
  287   HG22  THR  44          HG22      THR  44 -10.978   8.174   3.261
  288   HG23  THR  44          HG23      THR  44  -9.525   7.697   4.142
  289    H    SER  45           HN       SER  45 -10.400   9.177   6.025
  290    HA   SER  45           HA       SER  45  -8.146   9.836   7.725
  291    HB2  SER  45           HB2      SER  45 -10.698   8.353   8.393
  292    HB3  SER  45           HB1      SER  45  -9.537   9.016   9.543
  293    HG   SER  45           HG       SER  45 -11.385  10.344   7.900
  294    H    ARG  46           HN       ARG  46  -6.572   8.517   8.262
  295    HA   ARG  46           HA       ARG  46  -6.280   5.954   7.076
  296    HB2  ARG  46           HB2      ARG  46  -4.382   7.441   7.588
  297    HB3  ARG  46           HB1      ARG  46  -4.711   7.267   9.306
  298    HG2  ARG  46           HG2      ARG  46  -4.215   4.876   9.151
  299    HG3  ARG  46           HG1      ARG  46  -3.866   5.068   7.430
  300    HD2  ARG  46           HD2      ARG  46  -1.803   5.066   8.696
  301    HD3  ARG  46           HD1      ARG  46  -2.077   6.658   7.991
  302    HE   ARG  46           HE       ARG  46  -3.039   6.367  10.695
  303   HH11  ARG  46          HH11      ARG  46  -0.331   7.271   8.663
  304   HH12  ARG  46          HH12      ARG  46   0.447   8.200   9.903
  305   HH21  ARG  46          HH21      ARG  46  -2.006   7.595  12.325
  306   HH22  ARG  46          HH22      ARG  46  -0.498   8.382  11.978
  307    HA   PRO  47           HA       PRO  47  -8.718   3.868  10.164
  308    HB2  PRO  47           HB2      PRO  47  -8.416   1.351   9.193
  309    HB3  PRO  47           HB1      PRO  47  -9.491   2.543   8.454
  310    HG2  PRO  47           HG2      PRO  47  -6.735   1.716   7.643
  311    HG3  PRO  47           HG1      PRO  47  -8.152   2.037   6.628
  312    HD2  PRO  47           HD2      PRO  47  -6.145   3.836   6.979
  313    HD3  PRO  47           HD1      PRO  47  -7.829   4.311   6.677
  314    H    GLY  48           HN       GLY  48  -8.178   3.208  12.131
  315    HA2  GLY  48           HA2      GLY  48  -5.466   2.301  12.676
  316    HA3  GLY  48           HA1      GLY  48  -6.701   2.686  13.869
  317    H    THR  49           HN       THR  49  -8.437   0.915  11.944
  318    HA   THR  49           HA       THR  49  -8.007  -1.525  13.458
  319    HB   THR  49           HB       THR  49 -10.129  -2.247  12.261
  320    HG1  THR  49           HG1      THR  49 -11.027  -0.916  10.863
  321   HG21  THR  49          HG21      THR  49 -10.242   0.284  13.905
  322   HG22  THR  49          HG22      THR  49 -10.153  -1.357  14.542
  323   HG23  THR  49          HG23      THR  49 -11.579  -0.836  13.644
  324    H    GLY  50           HN       GLY  50  -5.992  -0.884  11.595
  325    HA2  GLY  50           HA2      GLY  50  -4.765  -2.514  10.328
  326    HA3  GLY  50           HA1      GLY  50  -6.295  -3.122   9.716
  327    H    LEU  51           HN       LEU  51  -3.640  -1.527   8.805
  328    HA   LEU  51           HA       LEU  51  -4.714   0.609   7.264
  329    HB2  LEU  51           HB2      LEU  51  -2.263   0.122   8.045
  330    HB3  LEU  51           HB1      LEU  51  -2.170  -0.832   6.581
  331    HG   LEU  51           HG       LEU  51  -1.224   1.439   6.336
  332   HD11  LEU  51          HD11      LEU  51  -3.668   0.943   4.649
  333   HD12  LEU  51          HD12      LEU  51  -2.061   0.271   4.371
  334   HD13  LEU  51          HD13      LEU  51  -2.324   2.010   4.239
  335   HD21  LEU  51          HD21      LEU  51  -2.731   2.611   7.857
  336   HD22  LEU  51          HD22      LEU  51  -4.066   2.359   6.731
  337   HD23  LEU  51          HD23      LEU  51  -2.700   3.370   6.265
  338    H    ARG  52           HN       ARG  52  -5.773   0.505   5.385
  339    HA   ARG  52           HA       ARG  52  -5.816  -2.092   4.004
  340    HB2  ARG  52           HB2      ARG  52  -8.022  -0.053   4.341
  341    HB3  ARG  52           HB1      ARG  52  -8.145  -1.501   3.345
  342    HG2  ARG  52           HG2      ARG  52  -7.888  -2.913   5.272
  343    HG3  ARG  52           HG1      ARG  52  -7.580  -1.516   6.301
  344    HD2  ARG  52           HD2      ARG  52  -9.848  -0.705   5.875
  345    HD3  ARG  52           HD1      ARG  52 -10.155  -2.104   4.845
  346    HE   ARG  52           HE       ARG  52  -9.427  -3.274   7.138
  347   HH11  ARG  52          HH11      ARG  52 -11.706  -0.698   6.496
  348   HH12  ARG  52          HH12      ARG  52 -12.726  -1.101   7.839
  349   HH21  ARG  52          HH21      ARG  52 -10.754  -3.796   8.910
  350   HH22  ARG  52          HH22      ARG  52 -12.172  -2.849   9.227
  351    H    CYS  53           HN       CYS  53  -5.196  -2.128   1.971
  352    HA   CYS  53           HA       CYS  53  -4.369   0.229   0.597
  353    HB2  CYS  53           HB2      CYS  53  -3.631  -1.235  -1.136
  354    HB3  CYS  53           HB1      CYS  53  -3.333  -2.073   0.380
  355    H    ARG  54           HN       ARG  54  -5.180   0.315  -1.922
  356    HA   ARG  54           HA       ARG  54  -7.668   1.557  -1.612
  357    HB2  ARG  54           HB2      ARG  54  -7.599   2.092  -3.906
  358    HB3  ARG  54           HB1      ARG  54  -5.924   2.057  -3.382
  359    HG2  ARG  54           HG2      ARG  54  -5.697  -0.197  -4.344
  360    HG3  ARG  54           HG1      ARG  54  -7.363  -0.101  -4.910
  361    HD2  ARG  54           HD2      ARG  54  -5.105   1.723  -5.709
  362    HD3  ARG  54           HD1      ARG  54  -5.801   0.444  -6.695
  363    HE   ARG  54           HE       ARG  54  -7.862   2.177  -5.965
  364   HH11  ARG  54          HH11      ARG  54  -4.967   2.178  -7.932
  365   HH12  ARG  54          HH12      ARG  54  -5.549   3.412  -9.004
  366   HH21  ARG  54          HH21      ARG  54  -8.619   3.808  -7.367
  367   HH22  ARG  54          HH22      ARG  54  -7.626   4.335  -8.687
  368    H    SER  55           HN       SER  55  -6.878  -1.649  -2.842
  369    HA   SER  55           HA       SER  55  -9.493  -2.232  -3.775
  370    HB2  SER  55           HB2      SER  55  -7.484  -3.440  -4.561
  371    HB3  SER  55           HB1      SER  55  -7.289  -4.136  -2.955
  372    HG   SER  55           HG       SER  55  -9.286  -5.188  -3.224
  373    H    CYS  56           HN       CYS  56  -7.815  -2.707  -0.723
  374    HA   CYS  56           HA       CYS  56  -9.886  -4.271   0.458
  375    HB2  CYS  56           HB2      CYS  56  -7.473  -2.877   1.589
  376    HB3  CYS  56           HB1      CYS  56  -8.621  -3.747   2.604
  377    H    SER  57           HN       SER  57  -9.150  -0.829   0.365
  378    HA   SER  57           HA       SER  57 -11.173  -0.212   2.338
  379    HB2  SER  57           HB2      SER  57 -10.611   2.168   1.692
  380    HB3  SER  57           HB1      SER  57  -9.253   1.220   2.300
  381    HG   SER  57           HG       SER  57  -9.773   2.154  -0.280
  382    H    GLY  58           HN       GLY  58 -11.058  -0.758  -1.015
  383    HA2  GLY  58           HA2      GLY  58 -13.511   0.705  -1.570
  384    HA3  GLY  58           HA1      GLY  58 -12.588  -0.263  -2.715
  385    H    ASP  59           HN       ASP  59 -12.470  -2.677  -1.909
  386    HA   ASP  59           HA       ASP  59 -15.223  -3.559  -1.516
  387    HB2  ASP  59           HB2      ASP  59 -12.686  -4.983  -2.317
  388    HB3  ASP  59           HB1      ASP  59 -14.145  -5.864  -1.878
  389    H    VAL  60           HN       VAL  60 -15.577  -3.116   0.631
  390    HA   VAL  60           HA       VAL  60 -13.654  -4.034   2.611
  391    HB   VAL  60           HB       VAL  60 -16.283  -2.598   3.031
  392   HG11  VAL  60          HG11      VAL  60 -15.395  -2.095   5.260
  393   HG12  VAL  60          HG12      VAL  60 -13.969  -3.070   4.909
  394   HG13  VAL  60          HG13      VAL  60 -15.556  -3.832   5.002
  395   HG21  VAL  60          HG21      VAL  60 -14.919  -0.591   3.361
  396   HG22  VAL  60          HG22      VAL  60 -14.726  -1.242   1.734
  397   HG23  VAL  60          HG23      VAL  60 -13.471  -1.506   2.943
  398    H    THR  61           HN       THR  61 -13.733  -6.154   2.944
  399    HA   THR  61           HA       THR  61 -16.348  -7.447   3.266
  400    HB   THR  61           HB       THR  61 -14.915  -9.574   3.114
  401    HG1  THR  61           HG1      THR  61 -12.984  -8.694   1.619
  402   HG21  THR  61          HG21      THR  61 -16.367  -8.812   1.297
  403   HG22  THR  61          HG22      THR  61 -14.871  -9.494   0.663
  404   HG23  THR  61          HG23      THR  61 -15.089  -7.746   0.714
  405    HA   PRO  62           HA       PRO  62 -15.355  -7.164   7.683
  406    HB2  PRO  62           HB2      PRO  62 -17.889  -8.702   7.813
  407    HB3  PRO  62           HB1      PRO  62 -17.429  -7.220   8.656
  408    HG2  PRO  62           HG2      PRO  62 -19.169  -7.161   6.637
  409    HG3  PRO  62           HG1      PRO  62 -17.976  -5.868   6.858
  410    HD2  PRO  62           HD2      PRO  62 -17.969  -8.142   4.914
  411    HD3  PRO  62           HD1      PRO  62 -17.467  -6.455   4.679
  412    H    ALA  63           HN       ALA  63 -14.395  -8.590   9.023
  413    HA   ALA  63           HA       ALA  63 -13.492 -11.057   8.054
  414    HB1  ALA  63           HB1      ALA  63 -13.581 -10.106  10.916
  415    HB2  ALA  63           HB2      ALA  63 -12.308  -9.736   9.753
  416    HB3  ALA  63           HB3      ALA  63 -12.567 -11.401  10.277
  417    HA   PRO  64           HA       PRO  64 -16.964 -13.636   8.976
  418    HB2  PRO  64           HB2      PRO  64 -15.820 -16.035   8.544
  419    HB3  PRO  64           HB1      PRO  64 -16.185 -14.920   7.223
  420    HG2  PRO  64           HG2      PRO  64 -13.580 -15.448   8.593
  421    HG3  PRO  64           HG1      PRO  64 -13.912 -15.220   6.867
  422    HD2  PRO  64           HD2      PRO  64 -12.921 -13.257   8.495
  423    HD3  PRO  64           HD1      PRO  64 -13.882 -12.938   7.040
  424    H    VAL  65           HN       VAL  65 -16.501 -12.774  11.277
  425    HA   VAL  65           HA       VAL  65 -15.332 -14.758  13.054
  426    HB   VAL  65           HB       VAL  65 -16.661 -12.118  13.712
  427   HG11  VAL  65          HG11      VAL  65 -15.600 -12.348  15.893
  428   HG12  VAL  65          HG12      VAL  65 -14.943 -13.914  15.421
  429   HG13  VAL  65          HG13      VAL  65 -16.687 -13.700  15.581
  430   HG21  VAL  65          HG21      VAL  65 -13.740 -12.823  13.447
  431   HG22  VAL  65          HG22      VAL  65 -14.371 -11.283  14.035
  432   HG23  VAL  65          HG23      VAL  65 -14.667 -11.780  12.368
  433    H    GLU  66           HN       GLU  66 -16.492 -16.348  13.887
  434    HA   GLU  66           HA       GLU  66 -19.413 -16.026  14.044
  435    HB2  GLU  66           HB2      GLU  66 -18.238 -17.836  12.511
  436    HB3  GLU  66           HB1      GLU  66 -18.101 -18.717  14.024
  437    HG2  GLU  66           HG2      GLU  66 -20.681 -17.695  12.859
  438    HG3  GLU  66           HG1      GLU  66 -20.077 -19.338  12.681