*HEADER    ANTIMICROBIAL PROTEIN                   16-JAN-19   6NOM              
*TITLE     NMR SOLUTION STRUCTURE OF PISUM SATIVUM DEFENSIN 2 (PSD2) PROVIDES    
*TITLE    2 EVIDENCE FOR THE PRESENCE OF HYDROPHOBIC SURFACE CLUSTERS            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-2;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ANTIFUNGAL PROTEIN PSD2,DEFENSE-RELATED PEPTIDE 2;          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PISUM SATIVUM;                                  
*SOURCE   3 ORGANISM_COMMON: GARDEN PEA;                                         
*SOURCE   4 ORGANISM_TAXID: 3888;                                                
*SOURCE   5 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922                                        
*KEYWDS    PSD1, PSD2, PLANT DEFENSINS, ANTIMICROBIAL PEPTIDES, ANTIMICROBIAL    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.PINHEIRO-AGUIAR,V.S.G.AMARAL,I.BASTOS,E.KURTENBACH,F.C.L.ALMEIDA    
*REVDAT   1   21-AUG-19 6NOM    0                                                
# Restraints file 1: unambig.tbl


assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.463 0.759 0.759 weight 1.000 ! spec=noes..._ph5, no=1642, id=0, vol=1.799423e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid    4 and name   HA) 2.999 1.125 1.125 weight 1.000 ! spec=noes..._ph5, no=1645, id=3, vol=5.998187e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid    2 and name   HA) 3.187 1.587 2.813 weight 1.000 ! spec=noes..._ph5, no=1646, id=4, vol=4.439251e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA) 2.663 0.886 0.886 weight 1.000 ! spec=noes..._ph5, no=1648, id=6, vol=1.013170e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HB2) 2.850 1.250 3.150 weight 1.000 ! spec=noes..._ph5, no=1652, id=10, vol=7.567078e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   32 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=noes..._ph5, no=1655, id=13, vol=8.003554e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid    3 and name   HN) 2.518 0.918 3.482 weight 1.000 ! spec=noes..._ph5, no=1656, id=14, vol=1.607770e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.653 0.880 0.880 weight 1.000 ! spec=noes..._ph5, no=1658, id=16, vol=1.113058e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.702 1.102 3.298 weight 1.000 ! spec=noes..._ph5, no=1659, id=17, vol=1.168122e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=noes..._ph5, no=1660, id=18, vol=5.834889e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=noes..._ph5, no=1663, id=21, vol=5.222505e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   16 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=noes..._ph5, no=1666, id=24, vol=1.357653e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.011 0.506 0.506 weight 1.000 ! spec=noes..._ph5, no=1667, id=25, vol=5.828895e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=noes..._ph5, no=1668, id=26, vol=8.858713e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.406 0.806 3.594 weight 1.000 ! spec=noes..._ph5, no=1669, id=27, vol=1.816879e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HB) 2.392 0.715 0.715 weight 1.000 ! spec=noes..._ph5, no=1670, id=28, vol=2.432608e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 2.328 0.678 0.678 weight 1.000 ! spec=noes..._ph5, no=1671, id=29, vol=2.761351e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HB) 2.246 0.631 0.631 weight 1.000 ! spec=noes..._ph5, no=1672, id=30, vol=3.270349e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HD11) 2.702 1.102 3.298 weight 1.000 ! spec=noes..._ph5, no=1673, id=31, vol=9.258247e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name HG22) 2.797 0.978 0.978 weight 1.000 ! spec=noes..._ph5, no=1674, id=32, vol=7.275680e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   44 and name HG22) 2.699 0.910 0.910 weight 1.000 ! spec=noes..._ph5, no=1675, id=33, vol=9.384885e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 2.576 0.829 0.829 weight 1.000 ! spec=noes..._ph5, no=1676, id=34, vol=1.365863e+07
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB2) 2.924 1.069 1.069 weight 1.000 ! spec=noes..._ph5, no=1678, id=36, vol=7.774462e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB1) 2.695 1.095 3.305 weight 1.000 ! spec=noes..._ph5, no=1680, id=38, vol=1.087466e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA) 2.266 0.642 0.642 weight 1.000 ! spec=noes..._ph5, no=1681, id=39, vol=3.038769e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.168 0.588 0.588 weight 1.000 ! spec=noes..._ph5, no=1682, id=40, vol=3.929149e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.554 0.815 0.815 weight 1.000 ! spec=noes..._ph5, no=1683, id=41, vol=1.369658e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.050 0.525 0.525 weight 1.000 ! spec=noes..._ph5, no=1684, id=42, vol=5.131602e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   42 and name  HE3) 3.154 1.243 1.243 weight 1.000 ! spec=noes..._ph5, no=1685, id=43, vol=4.001053e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.788 0.971 0.971 weight 1.000 ! spec=noes..._ph5, no=1686, id=44, vol=8.475517e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HG2) 3.146 1.237 1.237 weight 1.000 ! spec=noes..._ph5, no=1687, id=45, vol=4.304358e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HG1) 3.193 1.274 1.274 weight 1.000 ! spec=noes..._ph5, no=1688, id=46, vol=3.589753e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.517 0.917 3.483 weight 1.000 ! spec=noes..._ph5, no=1689, id=47, vol=1.631871e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.231 0.631 3.769 weight 1.000 ! spec=noes..._ph5, no=1690, id=48, vol=3.249027e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.378 0.707 0.707 weight 1.000 ! spec=noes..._ph5, no=1691, id=49, vol=2.142022e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   31 and name   HG) 2.931 1.331 3.069 weight 1.000 ! spec=noes..._ph5, no=1693, id=51, vol=6.851314e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG22) 2.867 1.028 1.028 weight 1.000 ! spec=noes..._ph5, no=1694, id=52, vol=6.758355e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.227 1.301 1.301 weight 1.000 ! spec=noes..._ph5, no=1696, id=54, vol=3.403626e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HA2) 2.611 0.852 0.852 weight 1.000 ! spec=noes..._ph5, no=1698, id=56, vol=1.340732e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.573 0.827 0.827 weight 1.000 ! spec=noes..._ph5, no=1699, id=57, vol=1.251298e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.744 0.941 0.941 weight 1.000 ! spec=noes..._ph5, no=1700, id=58, vol=8.102520e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=noes..._ph5, no=1702, id=60, vol=3.236472e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HN) 2.719 0.924 0.924 weight 1.000 ! spec=noes..._ph5, no=1704, id=62, vol=9.283230e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.484 0.884 3.516 weight 1.000 ! spec=noes..._ph5, no=1705, id=63, vol=1.792551e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HG2) 2.470 0.870 3.530 weight 1.000 ! spec=noes..._ph5, no=1708, id=66, vol=2.157796e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.872 1.031 1.031 weight 1.000 ! spec=noes..._ph5, no=1709, id=67, vol=6.989589e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HG1) 2.664 0.887 0.887 weight 1.000 ! spec=noes..._ph5, no=1710, id=68, vol=1.207508e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.581 0.833 0.833 weight 1.000 ! spec=noes..._ph5, no=1713, id=71, vol=1.423862e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HG) 3.124 1.220 1.220 weight 1.000 ! spec=noes..._ph5, no=1714, id=72, vol=3.968149e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD23) 2.956 1.093 1.093 weight 1.000 ! spec=noes..._ph5, no=1715, id=73, vol=4.971464e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD21) 2.573 0.827 0.827 weight 1.000 ! spec=noes..._ph5, no=1716, id=74, vol=1.397240e+07
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD22)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.539 0.806 0.806 weight 1.000 ! spec=noes..._ph5, no=1717, id=75, vol=1.599600e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HG) 2.456 0.754 0.754 weight 1.000 ! spec=noes..._ph5, no=1718, id=76, vol=1.952628e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.973 1.105 1.105 weight 1.000 ! spec=noes..._ph5, no=1720, id=78, vol=6.321297e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.704 0.914 0.914 weight 1.000 ! spec=noes..._ph5, no=1721, id=79, vol=1.091628e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.226 1.301 1.301 weight 1.000 ! spec=noes..._ph5, no=1722, id=80, vol=4.088260e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.147 0.576 0.576 weight 1.000 ! spec=noes..._ph5, no=1724, id=82, vol=3.800511e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA) 2.573 0.828 0.828 weight 1.000 ! spec=noes..._ph5, no=1725, id=83, vol=1.430863e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.768 0.958 0.958 weight 1.000 ! spec=noes..._ph5, no=1726, id=84, vol=7.622877e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   25 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=noes..._ph5, no=1727, id=85, vol=1.991732e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.628 0.863 0.863 weight 1.000 ! spec=noes..._ph5, no=1728, id=86, vol=1.155705e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=noes..._ph5, no=1729, id=87, vol=1.236152e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 2.531 0.801 0.801 weight 1.000 ! spec=noes..._ph5, no=1730, id=88, vol=1.392664e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.033 0.516 0.516 weight 1.000 ! spec=noes..._ph5, no=1731, id=89, vol=5.470995e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.677 0.896 0.896 weight 1.000 ! spec=noes..._ph5, no=1733, id=91, vol=1.063036e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HA1) 3.013 1.135 1.135 weight 1.000 ! spec=noes..._ph5, no=1734, id=92, vol=5.445777e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=noes..._ph5, no=1735, id=93, vol=5.557041e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   35 and name   HA) 2.505 0.905 3.495 weight 1.000 ! spec=noes..._ph5, no=1736, id=94, vol=1.755465e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA) 2.132 0.568 0.568 weight 1.000 ! spec=noes..._ph5, no=1738, id=96, vol=3.893789e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=noes..._ph5, no=1739, id=97, vol=5.758861e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name  HD2) 2.876 1.276 3.124 weight 1.000 ! spec=noes..._ph5, no=1741, id=99, vol=6.465019e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.848 1.248 3.152 weight 1.000 ! spec=noes..._ph5, no=1742, id=100, vol=7.739699e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.511 0.788 0.788 weight 1.000 ! spec=noes..._ph5, no=1743, id=101, vol=1.521517e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.862 1.024 1.024 weight 1.000 ! spec=noes..._ph5, no=1745, id=103, vol=7.310729e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB2) 2.826 0.999 0.999 weight 1.000 ! spec=noes..._ph5, no=1746, id=104, vol=1.052494e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG22) 2.555 0.816 0.816 weight 1.000 ! spec=noes..._ph5, no=1748, id=106, vol=1.302150e+07
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.610 0.851 0.851 weight 1.000 ! spec=noes..._ph5, no=1749, id=107, vol=1.212546e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 2.286 0.653 0.653 weight 1.000 ! spec=noes..._ph5, no=1750, id=108, vol=2.546190e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 1.880 0.280 4.120 weight 1.000 ! spec=noes..._ph5, no=1751, id=109, vol=8.136748e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    4 and name   HN) 3.248 1.648 2.752 weight 1.000 ! spec=noes..._ph5, no=1752, id=110, vol=4.981044e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=noes..._ph5, no=1753, id=111, vol=1.155728e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.346 0.688 0.688 weight 1.000 ! spec=noes..._ph5, no=1754, id=112, vol=2.123181e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.787 0.971 0.971 weight 1.000 ! spec=noes..._ph5, no=1755, id=113, vol=8.352614e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.458 0.755 0.755 weight 1.000 ! spec=noes..._ph5, no=1756, id=114, vol=1.683004e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.301 0.662 0.662 weight 1.000 ! spec=noes..._ph5, no=1757, id=115, vol=2.641499e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HG) 2.924 1.324 3.076 weight 1.000 ! spec=noes..._ph5, no=1758, id=116, vol=5.479107e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD11) 2.435 0.835 3.565 weight 1.000 ! spec=noes..._ph5, no=1759, id=117, vol=1.829871e+07
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.097 0.550 0.550 weight 1.000 ! spec=noes..._ph5, no=1761, id=119, vol=4.186371e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HD22) 3.239 1.312 1.312 weight 1.000 ! spec=noes..._ph5, no=1762, id=120, vol=2.632972e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   45 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=noes..._ph5, no=1766, id=124, vol=1.309220e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.502 0.782 0.782 weight 1.000 ! spec=noes..._ph5, no=1767, id=125, vol=1.652769e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.312 0.668 0.668 weight 1.000 ! spec=noes..._ph5, no=1768, id=126, vol=2.629177e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.574 0.828 0.828 weight 1.000 ! spec=noes..._ph5, no=1769, id=127, vol=1.320663e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.132 0.568 0.568 weight 1.000 ! spec=noes..._ph5, no=1770, id=128, vol=4.267392e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HG) 2.323 0.675 0.675 weight 1.000 ! spec=noes..._ph5, no=1771, id=129, vol=2.625075e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.364 0.699 0.699 weight 1.000 ! spec=noes..._ph5, no=1772, id=130, vol=2.306200e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.329 0.729 3.671 weight 1.000 ! spec=noes..._ph5, no=1773, id=131, vol=2.649728e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD12) 2.712 0.920 0.920 weight 1.000 ! spec=noes..._ph5, no=1774, id=132, vol=1.043569e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD23) 2.917 1.064 1.064 weight 1.000 ! spec=noes..._ph5, no=1775, id=133, vol=5.829302e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD11) 3.042 1.157 1.157 weight 1.000 ! spec=noes..._ph5, no=1776, id=134, vol=4.593039e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.637 0.869 0.869 weight 1.000 ! spec=noes..._ph5, no=1777, id=135, vol=1.080864e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.268 1.335 1.335 weight 1.000 ! spec=noes..._ph5, no=1778, id=136, vol=2.896804e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.979 1.109 1.109 weight 1.000 ! spec=noes..._ph5, no=1780, id=138, vol=6.346129e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.717 0.923 0.923 weight 1.000 ! spec=noes..._ph5, no=1782, id=140, vol=1.016604e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.708 0.916 0.916 weight 1.000 ! spec=noes..._ph5, no=1784, id=142, vol=1.007537e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.416 0.730 0.730 weight 1.000 ! spec=noes..._ph5, no=1785, id=143, vol=2.112060e+07
assign (segid "   A" and resid   21 and name HD21) (segid "   A" and resid   21 and name HD22) 1.719 0.370 0.370 weight 1.000 ! spec=noes..._ph5, no=1788, id=146, vol=1.376544e+08
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HN) 2.979 1.379 3.021 weight 1.000 ! spec=noes..._ph5, no=1789, id=147, vol=4.877200e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 2.501 0.782 0.782 weight 1.000 ! spec=noes..._ph5, no=1792, id=150, vol=1.626442e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG21) 2.451 0.751 0.751 weight 1.000 ! spec=noes..._ph5, no=1793, id=151, vol=1.669982e+07
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HD2) 2.519 0.919 3.481 weight 1.000 ! spec=noes..._ph5, no=1794, id=152, vol=1.717162e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.461 0.861 3.539 weight 1.000 ! spec=noes..._ph5, no=1795, id=153, vol=2.042519e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.992 1.119 1.119 weight 1.000 ! spec=noes..._ph5, no=1796, id=154, vol=6.399332e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.899 1.051 1.051 weight 1.000 ! spec=noes..._ph5, no=1797, id=155, vol=6.527033e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.764 0.955 0.955 weight 1.000 ! spec=noes..._ph5, no=1798, id=156, vol=8.858322e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.966 1.366 3.034 weight 1.000 ! spec=noes..._ph5, no=1799, id=157, vol=5.819319e+06
assign (segid "   A" and resid   21 and name HD21) (segid "   A" and resid   21 and name  HB1) 2.436 0.836 3.564 weight 1.000 ! spec=noes..._ph5, no=1800, id=158, vol=1.963406e+07
assign (segid "   A" and resid   21 and name HD21) (segid "   A" and resid   21 and name  HB2) 2.834 1.004 1.004 weight 1.000 ! spec=noes..._ph5, no=1801, id=159, vol=7.351729e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HA1) 3.099 1.200 1.200 weight 1.000 ! spec=noes..._ph5, no=1802, id=160, vol=4.088655e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HA1) 3.036 1.152 1.152 weight 1.000 ! spec=noes..._ph5, no=1803, id=161, vol=5.822620e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.494 0.778 0.778 weight 1.000 ! spec=noes..._ph5, no=1805, id=163, vol=1.364149e+07
assign (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   24 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=noes..._ph5, no=1806, id=164, vol=4.992190e+06
assign (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   26 and name   HN) 2.678 0.897 0.897 weight 1.000 ! spec=noes..._ph5, no=1807, id=165, vol=1.080956e+07
assign (segid "   A" and resid   19 and name HD21) (segid "   A" and resid   39 and name  HD1) 1.665 0.065 4.335 weight 1.000 ! spec=noes..._ph5, no=1810, id=168, vol=1.685540e+08
    or (segid "   A" and resid   19 and name HD21) (segid "   A" and resid   39 and name  HD2)
assign (segid "   A" and resid    5 and name HD21) (segid "   A" and resid    5 and name  HB2) 2.732 0.933 0.933 weight 1.000 ! spec=noes..._ph5, no=1813, id=171, vol=8.919756e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG1) 2.855 1.019 1.019 weight 1.000 ! spec=noes..._ph5, no=1817, id=175, vol=8.022906e+06
assign (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   26 and name   HA) 2.682 0.899 0.899 weight 1.000 ! spec=noes..._ph5, no=1819, id=177, vol=9.313707e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HA) 2.946 1.085 1.085 weight 1.000 ! spec=noes..._ph5, no=1820, id=178, vol=5.333933e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   44 and name   HB) 2.721 0.925 0.925 weight 1.000 ! spec=noes..._ph5, no=1821, id=179, vol=9.570840e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=noes..._ph5, no=1822, id=180, vol=1.172303e+07
assign (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   26 and name HD22) 1.521 0.289 0.289 weight 1.000 ! spec=noes..._ph5, no=1823, id=181, vol=2.516532e+08
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   45 and name HD22) 1.548 0.300 0.300 weight 1.000 ! spec=noes..._ph5, no=1824, id=182, vol=2.326319e+08
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.295 0.658 0.658 weight 1.000 ! spec=noes..._ph5, no=1825, id=183, vol=2.456305e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   33 and name   HN) 2.593 0.841 0.841 weight 1.000 ! spec=noes..._ph5, no=1827, id=185, vol=1.203933e+07
assign (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   26 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=noes..._ph5, no=1829, id=187, vol=1.446537e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD23) 3.152 1.242 1.242 weight 1.000 ! spec=noes..._ph5, no=1830, id=188, vol=3.357939e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD23) 2.867 1.027 1.027 weight 1.000 ! spec=noes..._ph5, no=1831, id=189, vol=6.139138e+06
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD11) 3.116 1.214 1.214 weight 1.000 ! spec=noes..._ph5, no=1832, id=190, vol=3.832276e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.606 1.006 3.394 weight 1.000 ! spec=noes..._ph5, no=1834, id=192, vol=1.286421e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   44 and name HG22) 3.078 1.184 1.184 weight 1.000 ! spec=noes..._ph5, no=1835, id=193, vol=3.526277e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   30 and name  HB2) 3.010 1.132 1.132 weight 1.000 ! spec=noes..._ph5, no=1836, id=194, vol=4.881478e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name  HB1) 3.004 1.128 1.128 weight 1.000 ! spec=noes..._ph5, no=1838, id=196, vol=4.928118e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HG) 3.149 1.240 1.240 weight 1.000 ! spec=noes..._ph5, no=1839, id=197, vol=3.816330e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.391 0.715 0.715 weight 1.000 ! spec=noes..._ph5, no=1840, id=198, vol=2.127069e+07
assign (segid "   A" and resid   19 and name HD21) (segid "   A" and resid   36 and name  HB1) 3.065 1.465 2.935 weight 1.000 ! spec=noes..._ph5, no=1841, id=199, vol=4.726218e+06
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   45 and name  HB1) 2.581 0.833 0.833 weight 1.000 ! spec=noes..._ph5, no=1842, id=200, vol=1.234781e+07
assign (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   26 and name  HB1) 2.316 0.671 0.671 weight 1.000 ! spec=noes..._ph5, no=1843, id=201, vol=2.365709e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   24 and name  HB2) 3.394 1.794 2.606 weight 1.000 ! spec=noes..._ph5, no=1844, id=202, vol=1.647543e+06
assign (segid "   A" and resid    5 and name HD21) (segid "   A" and resid    5 and name  HB1) 2.733 1.133 3.267 weight 1.000 ! spec=noes..._ph5, no=1845, id=203, vol=9.543280e+06
assign (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   22 and name   HA) 3.180 1.264 1.264 weight 1.000 ! spec=noes..._ph5, no=1846, id=204, vol=3.150959e+06
assign (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid    5 and name   HA) 2.253 0.634 0.634 weight 1.000 ! spec=noes..._ph5, no=1849, id=207, vol=2.925515e+07
assign (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid   42 and name  HZ2) 2.528 0.928 3.472 weight 1.000 ! spec=noes..._ph5, no=1851, id=209, vol=1.379900e+07
assign (segid "   A" and resid   19 and name HD21) (segid "   A" and resid   19 and name HD22) 1.817 0.413 0.413 weight 1.000 ! spec=noes..._ph5, no=1852, id=210, vol=1.147101e+08
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name  HB2) 3.031 1.148 1.148 weight 1.000 ! spec=noes..._ph5, no=1854, id=212, vol=5.081946e+06
assign (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid   42 and name  HH2) 2.043 0.522 0.522 weight 1.000 ! spec=noes..._ph5, no=1856, id=214, vol=5.179438e+07
assign (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD23) 2.582 0.982 3.418 weight 1.000 ! spec=noes..._ph5, no=1858, id=216, vol=1.090534e+07
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD11) 2.759 1.159 3.241 weight 1.000 ! spec=noes..._ph5, no=1859, id=217, vol=7.176263e+06
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   19 and name HD22) (segid "   A" and resid   36 and name  HD1) 3.183 1.583 2.817 weight 1.000 ! spec=noes..._ph5, no=1860, id=218, vol=4.250573e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   42 and name  HZ3) 2.316 0.670 0.670 weight 1.000 ! spec=noes..._ph5, no=1861, id=219, vol=2.247806e+07
assign (segid "   A" and resid   26 and name HD22) (segid "   A" and resid   22 and name   HA) 3.152 1.242 1.242 weight 1.000 ! spec=noes..._ph5, no=1864, id=222, vol=3.773231e+06
assign (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   46 and name  HD2) 2.920 1.066 1.066 weight 1.000 ! spec=noes..._ph5, no=1865, id=223, vol=6.577351e+06
assign (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   45 and name  HB1) 2.951 1.089 1.089 weight 1.000 ! spec=noes..._ph5, no=1866, id=224, vol=5.774713e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.762 0.954 0.954 weight 1.000 ! spec=noes..._ph5, no=1868, id=226, vol=8.611331e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.905 1.055 1.055 weight 1.000 ! spec=noes..._ph5, no=1869, id=227, vol=5.925487e+06
assign (segid "   A" and resid   26 and name HD22) (segid "   A" and resid   26 and name  HB1) 2.825 0.998 0.998 weight 1.000 ! spec=noes..._ph5, no=1871, id=229, vol=7.349795e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=noes..._ph5, no=1873, id=231, vol=9.697504e+06
assign (segid "   A" and resid   19 and name HD22) (segid "   A" and resid   39 and name  HD1) 2.780 1.180 3.220 weight 1.000 ! spec=noes..._ph5, no=1876, id=234, vol=6.316168e+06
    or (segid "   A" and resid   19 and name HD22) (segid "   A" and resid   39 and name  HD2)
assign (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid   42 and name  HE3) 1.928 0.465 0.465 weight 1.000 ! spec=noes..._ph5, no=1877, id=235, vol=7.158108e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HN) 3.146 1.546 2.854 weight 1.000 ! spec=noes..._ph5, no=1879, id=237, vol=3.571700e+06
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name   HN) 2.899 1.299 3.101 weight 1.000 ! spec=noes..._ph5, no=1880, id=238, vol=7.030389e+06
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    6 and name   HN) 3.041 1.156 1.156 weight 1.000 ! spec=noes..._ph5, no=1881, id=239, vol=4.629809e+06
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   39 and name   HN) 2.306 0.665 0.665 weight 1.000 ! spec=noes..._ph5, no=1882, id=240, vol=2.622644e+07
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   39 and name   HN)
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   42 and name  HD1) 2.167 0.567 3.833 weight 1.000 ! spec=noes..._ph5, no=1883, id=241, vol=4.131576e+07
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    5 and name   HA) 2.237 0.626 0.626 weight 1.000 ! spec=noes..._ph5, no=1884, id=242, vol=2.970977e+07
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   39 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=noes..._ph5, no=1885, id=243, vol=8.202986e+06
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   36 and name  HD1) 3.099 1.200 1.200 weight 1.000 ! spec=noes..._ph5, no=1888, id=246, vol=4.385011e+06
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   36 and name  HD1)
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   42 and name  HB2) 2.613 1.013 3.387 weight 1.000 ! spec=noes..._ph5, no=1889, id=247, vol=1.287837e+07
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name  HB2) 2.635 0.868 0.868 weight 1.000 ! spec=noes..._ph5, no=1891, id=249, vol=1.189616e+07
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    6 and name   HA) 3.297 1.359 1.359 weight 1.000 ! spec=noes..._ph5, no=1892, id=250, vol=3.385145e+06
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name  HB1) 2.891 1.044 1.044 weight 1.000 ! spec=noes..._ph5, no=1894, id=252, vol=7.133865e+06
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    5 and name  HB1) 2.871 1.271 3.129 weight 1.000 ! spec=noes..._ph5, no=1895, id=253, vol=7.203221e+06
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    4 and name  HG2) 2.211 0.611 0.611 weight 1.000 ! spec=noes..._ph5, no=1896, id=254, vol=3.544305e+07
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   36 and name  HB1) 2.536 0.804 0.804 weight 1.000 ! spec=noes..._ph5, no=1897, id=255, vol=1.685865e+07
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    4 and name  HB1) 2.620 1.020 3.380 weight 1.000 ! spec=noes..._ph5, no=1898, id=256, vol=1.273857e+07
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name  HD1) 2.892 1.045 1.045 weight 1.000 ! spec=noes..._ph5, no=1901, id=259, vol=7.069878e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1) 2.516 0.792 0.792 weight 1.000 ! spec=noes..._ph5, no=1902, id=260, vol=1.646493e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB2) 2.348 0.689 0.689 weight 1.000 ! spec=noes..._ph5, no=1903, id=261, vol=2.310105e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   36 and name  HD1) 2.910 1.059 1.059 weight 1.000 ! spec=noes..._ph5, no=1906, id=264, vol=6.450867e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name  HB2) 2.906 1.306 3.094 weight 1.000 ! spec=noes..._ph5, no=1908, id=266, vol=6.419192e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    5 and name HD22) 1.732 0.132 4.268 weight 1.000 ! spec=noes..._ph5, no=1909, id=267, vol=1.338446e+08
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    5 and name HD22)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   42 and name  HZ2) 2.975 1.375 3.025 weight 1.000 ! spec=noes..._ph5, no=1911, id=269, vol=5.534779e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   42 and name  HZ2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   29 and name   HN) 2.998 1.124 1.124 weight 1.000 ! spec=noes..._ph5, no=1914, id=272, vol=4.548613e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.279 0.649 0.649 weight 1.000 ! spec=noes..._ph5, no=1915, id=273, vol=2.573817e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   25 and name   HA) 2.663 0.887 0.887 weight 1.000 ! spec=noes..._ph5, no=1916, id=274, vol=1.117761e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.032 0.516 0.516 weight 1.000 ! spec=noes..._ph5, no=1917, id=275, vol=5.237524e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.096 1.198 1.198 weight 1.000 ! spec=noes..._ph5, no=1918, id=276, vol=5.036182e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.818 0.992 0.992 weight 1.000 ! spec=noes..._ph5, no=1919, id=277, vol=7.889169e+06
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name  HB1) 2.545 0.809 0.809 weight 1.000 ! spec=noes..._ph5, no=1924, id=282, vol=1.469339e+07
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HA2) 2.981 1.111 1.111 weight 1.000 ! spec=noes..._ph5, no=1927, id=285, vol=5.710603e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HA1) 2.709 0.917 0.917 weight 1.000 ! spec=noes..._ph5, no=1928, id=286, vol=9.097904e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HN) 2.732 1.132 3.268 weight 1.000 ! spec=noes..._ph5, no=1929, id=287, vol=9.608172e+06
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   33 and name  HA2) 2.547 0.947 3.453 weight 1.000 ! spec=noes..._ph5, no=1930, id=288, vol=1.738357e+07
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   33 and name  HA1) 2.774 1.174 3.226 weight 1.000 ! spec=noes..._ph5, no=1931, id=289, vol=1.107843e+07
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB1) 2.534 0.803 0.803 weight 1.000 ! spec=noes..._ph5, no=1932, id=290, vol=1.655557e+07
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=noes..._ph5, no=1933, id=291, vol=9.568207e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HA) 2.876 1.034 1.034 weight 1.000 ! spec=noes..._ph5, no=1934, id=292, vol=6.728218e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1) 2.832 1.002 1.002 weight 1.000 ! spec=noes..._ph5, no=1939, id=297, vol=8.603868e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2) 2.631 0.865 0.865 weight 1.000 ! spec=noes..._ph5, no=1940, id=298, vol=1.356627e+07
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 2.343 0.686 0.686 weight 1.000 ! spec=noes..._ph5, no=1943, id=301, vol=2.410118e+07
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB1) 2.688 0.903 0.903 weight 1.000 ! spec=noes..._ph5, no=1944, id=302, vol=1.111480e+07
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid    4 and name  HG1) 3.117 1.214 1.214 weight 1.000 ! spec=noes..._ph5, no=1945, id=303, vol=4.792126e+06
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid    4 and name  HB2) 3.026 1.145 1.145 weight 1.000 ! spec=noes..._ph5, no=1946, id=304, vol=5.799723e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   44 and name HG22) 2.677 1.077 3.323 weight 1.000 ! spec=noes..._ph5, no=1947, id=305, vol=1.027199e+07
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG22) 2.048 0.524 0.524 weight 1.000 ! spec=noes..._ph5, no=1948, id=306, vol=4.903222e+07
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   31 and name HD11) 3.133 1.227 1.227 weight 1.000 ! spec=noes..._ph5, no=1949, id=307, vol=4.338104e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.421 0.733 0.733 weight 1.000 ! spec=noes..._ph5, no=1950, id=308, vol=2.088827e+07
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name   HB) 2.552 0.814 0.814 weight 1.000 ! spec=noes..._ph5, no=1951, id=309, vol=1.599695e+07
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name   HB) 1.962 0.481 0.481 weight 1.000 ! spec=noes..._ph5, no=1952, id=310, vol=7.264881e+07
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HA) 2.148 0.548 3.852 weight 1.000 ! spec=noes..._ph5, no=1953, id=311, vol=3.912753e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA) 2.018 0.509 0.509 weight 1.000 ! spec=noes..._ph5, no=1958, id=316, vol=5.877689e+07
assign (segid "   A" and resid    5 and name HD21) (segid "   A" and resid    5 and name   HA) 3.164 1.564 2.836 weight 1.000 ! spec=noes..._ph5, no=1962, id=320, vol=4.596981e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name HD22) 2.367 0.767 3.633 weight 1.000 ! spec=noes..._ph5, no=1964, id=322, vol=2.338249e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   44 and name   HA) 2.185 0.597 0.597 weight 1.000 ! spec=noes..._ph5, no=1965, id=323, vol=3.803269e+07
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG22) 2.177 0.592 0.592 weight 1.000 ! spec=noes..._ph5, no=1966, id=324, vol=3.467134e+07
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.789 0.972 0.972 weight 1.000 ! spec=noes..._ph5, no=1968, id=326, vol=7.517020e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name  HB1) 2.956 1.092 1.092 weight 1.000 ! spec=noes..._ph5, no=1976, id=334, vol=5.735569e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   46 and name  HB2) 2.406 0.806 3.594 weight 1.000 ! spec=noes..._ph5, no=1978, id=336, vol=2.160392e+07
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   46 and name  HG1) 2.902 1.053 1.053 weight 1.000 ! spec=noes..._ph5, no=1979, id=337, vol=6.935533e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   15 and name HD12) 2.928 1.072 1.072 weight 1.000 ! spec=noes..._ph5, no=1982, id=340, vol=7.410094e+06
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   15 and name HD11)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   15 and name HD13)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.522 0.795 0.795 weight 1.000 ! spec=noes..._ph5, no=1991, id=349, vol=1.643040e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    5 and name HD21) 3.071 1.179 1.179 weight 1.000 ! spec=noes..._ph5, no=1994, id=352, vol=4.363562e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=noes..._ph5, no=1998, id=356, vol=5.973913e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.461 0.757 0.757 weight 1.000 ! spec=noes..._ph5, no=1999, id=357, vol=1.960375e+07
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.861 1.023 1.023 weight 1.000 ! spec=noes..._ph5, no=2000, id=358, vol=7.544369e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG1) 3.099 1.200 1.200 weight 1.000 ! spec=noes..._ph5, no=2001, id=359, vol=4.308278e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG2) 2.863 1.024 1.024 weight 1.000 ! spec=noes..._ph5, no=2002, id=360, vol=6.931803e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD23) 3.081 1.186 1.186 weight 1.000 ! spec=noes..._ph5, no=2006, id=364, vol=4.580894e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid   34 and name  HB1) 2.816 0.991 0.991 weight 1.000 ! spec=noes..._ph5, no=2008, id=366, vol=7.910465e+06
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name  HB2) 2.915 1.062 1.062 weight 1.000 ! spec=noes..._ph5, no=2010, id=368, vol=6.741626e+06
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name HD11) 2.096 0.549 0.549 weight 1.000 ! spec=noes..._ph5, no=2012, id=370, vol=4.234505e+07
    or (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name HD12)
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name HD11)
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name HD12)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name HD11)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid   34 and name  HB2) 2.599 0.999 3.401 weight 1.000 ! spec=noes..._ph5, no=2014, id=372, vol=1.284733e+07
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    6 and name HD23) 3.136 1.536 2.864 weight 1.000 ! spec=noes..._ph5, no=2015, id=373, vol=4.351105e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name   HG) 2.053 0.527 0.527 weight 1.000 ! spec=noes..._ph5, no=2018, id=376, vol=4.761834e+07
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name   HG)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name   HG)
assign (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name   HG) 2.054 0.528 0.528 weight 1.000 ! spec=noes..._ph5, no=2024, id=382, vol=4.558959e+07
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name   HG)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name   HG)
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid    6 and name  HB1) 2.538 0.805 0.805 weight 1.000 ! spec=noes..._ph5, no=2025, id=383, vol=1.507805e+07
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid    6 and name  HB2) 2.464 0.759 0.759 weight 1.000 ! spec=noes..._ph5, no=2026, id=384, vol=1.648802e+07
assign (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name  HB2) 2.884 1.040 1.040 weight 1.000 ! spec=noes..._ph5, no=2034, id=392, vol=7.387784e+06
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name HD23) 1.779 0.395 0.395 weight 1.000 ! spec=noes..._ph5, no=2035, id=393, vol=9.497919e+07
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name HD23)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name HD23)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   44 and name HG22) 2.111 0.557 0.557 weight 1.000 ! spec=noes..._ph5, no=2036, id=394, vol=3.600202e+07
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   44 and name HG21)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   44 and name HG21)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid    2 and name HG22) 2.078 0.540 0.540 weight 1.000 ! spec=noes..._ph5, no=2037, id=395, vol=4.313512e+07
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid    2 and name HG22)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid    2 and name HG22)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name   HG) 2.076 0.539 0.539 weight 1.000 ! spec=noes..._ph5, no=2038, id=396, vol=4.384392e+07
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name   HG)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name   HG)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name  HB2) 2.231 0.622 0.622 weight 1.000 ! spec=noes..._ph5, no=2039, id=397, vol=3.188475e+07
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=noes..._ph5, no=2040, id=398, vol=3.054115e+07
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HB1) 1.986 0.493 0.493 weight 1.000 ! spec=noes..._ph5, no=2041, id=399, vol=7.080902e+07
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid    4 and name  HB2) 3.062 1.462 2.938 weight 1.000 ! spec=noes..._ph5, no=2043, id=401, vol=5.136244e+06
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HD11) 2.584 0.835 0.835 weight 1.000 ! spec=noes..._ph5, no=2044, id=402, vol=1.320839e+07
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name   HA) 2.849 1.015 1.015 weight 1.000 ! spec=noes..._ph5, no=2045, id=403, vol=6.654967e+06
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name   HA)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name   HA)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   44 and name   HB) 2.870 1.029 1.029 weight 1.000 ! spec=noes..._ph5, no=2046, id=404, vol=6.195785e+06
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   44 and name   HB)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   44 and name   HB)
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid    1 and name   HA) 2.899 1.051 1.051 weight 1.000 ! spec=noes..._ph5, no=2054, id=412, vol=5.589616e+06
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid    2 and name   HB) 2.027 0.514 0.514 weight 1.000 ! spec=noes..._ph5, no=2055, id=413, vol=5.138420e+07
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid    2 and name   HB)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid    2 and name   HB)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid    2 and name HG22) 2.438 0.838 3.562 weight 1.000 ! spec=noes..._ph5, no=2058, id=416, vol=1.677671e+07
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   31 and name   HN) 2.850 1.015 1.015 weight 1.000 ! spec=noes..._ph5, no=2063, id=421, vol=7.176817e+06
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD21) 2.703 1.103 3.297 weight 1.000 ! spec=noes..._ph5, no=2066, id=424, vol=1.009170e+07
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD22)
assign (segid "   A" and resid   31 and name HD23) (segid "   A" and resid   45 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=noes..._ph5, no=2067, id=425, vol=4.407162e+06
    or (segid "   A" and resid   31 and name HD21) (segid "   A" and resid   45 and name   HA)
    or (segid "   A" and resid   31 and name HD22) (segid "   A" and resid   45 and name   HA)
assign (segid "   A" and resid   31 and name HD23) (segid "   A" and resid   31 and name  HB1) 2.282 0.651 0.651 weight 1.000 ! spec=noes..._ph5, no=2069, id=427, vol=2.550605e+07
    or (segid "   A" and resid   31 and name HD21) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   31 and name HD22) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   31 and name HD23) (segid "   A" and resid   31 and name  HB2) 2.704 0.914 0.914 weight 1.000 ! spec=noes..._ph5, no=2070, id=428, vol=9.614631e+06
    or (segid "   A" and resid   31 and name HD21) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   31 and name HD22) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   31 and name HD23) (segid "   A" and resid   31 and name   HG) 2.139 0.572 0.572 weight 1.000 ! spec=noes..._ph5, no=2071, id=429, vol=4.246946e+07
    or (segid "   A" and resid   31 and name HD21) (segid "   A" and resid   31 and name   HG)
    or (segid "   A" and resid   31 and name HD22) (segid "   A" and resid   31 and name   HG)
assign (segid "   A" and resid   31 and name HD23) (segid "   A" and resid   44 and name   HN) 3.385 1.785 2.615 weight 1.000 ! spec=noes..._ph5, no=2073, id=431, vol=3.152579e+06
    or (segid "   A" and resid   31 and name HD21) (segid "   A" and resid   44 and name   HN)
    or (segid "   A" and resid   31 and name HD22) (segid "   A" and resid   44 and name   HN)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name HG11) 2.445 0.748 0.748 weight 1.000 ! spec=noes..._ph5, no=2074, id=432, vol=2.048136e+07
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name HG11)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG12) 2.172 0.590 0.590 weight 1.000 ! spec=noes..._ph5, no=2075, id=433, vol=3.798235e+07
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG12)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG11) 2.125 0.564 0.564 weight 1.000 ! spec=noes..._ph5, no=2076, id=434, vol=4.214403e+07
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG11)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   17 and name  HB2) 3.037 1.153 1.153 weight 1.000 ! spec=noes..._ph5, no=2078, id=436, vol=5.776894e+06
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   17 and name  HB2)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name  HB1) 3.288 1.351 1.351 weight 1.000 ! spec=noes..._ph5, no=2080, id=438, vol=3.807681e+06
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name  HB2) 2.366 0.700 0.700 weight 1.000 ! spec=noes..._ph5, no=2081, id=439, vol=2.473109e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name  HB2)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name  HB2) 2.466 0.760 0.760 weight 1.000 ! spec=noes..._ph5, no=2082, id=440, vol=1.913728e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name  HB2)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name  HB1) 2.268 0.643 0.643 weight 1.000 ! spec=noes..._ph5, no=2084, id=442, vol=3.053568e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HG) 2.187 0.598 0.598 weight 1.000 ! spec=noes..._ph5, no=2085, id=443, vol=4.247229e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HG)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HG) 2.060 0.530 0.530 weight 1.000 ! spec=noes..._ph5, no=2086, id=444, vol=6.923721e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name   HG)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   28 and name  HB2) 2.609 1.009 3.391 weight 1.000 ! spec=noes..._ph5, no=2087, id=445, vol=1.324183e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   28 and name  HB1) 2.616 0.855 0.855 weight 1.000 ! spec=noes..._ph5, no=2088, id=446, vol=1.466588e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid   11 and name  HD1) 2.277 0.648 0.648 weight 1.000 ! spec=noes..._ph5, no=2089, id=447, vol=2.909154e+07
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   43 and name  HB1) 2.325 0.676 0.676 weight 1.000 ! spec=noes..._ph5, no=2090, id=448, vol=2.483071e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   43 and name  HB1)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   43 and name  HB2) 2.406 0.806 3.594 weight 1.000 ! spec=noes..._ph5, no=2093, id=451, vol=2.086532e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HA) 1.988 0.494 0.494 weight 1.000 ! spec=noes..._ph5, no=2094, id=452, vol=6.072080e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HN) 3.243 1.315 1.315 weight 1.000 ! spec=noes..._ph5, no=2095, id=453, vol=3.475376e+06
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HN)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HN)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   30 and name HD12) 2.649 1.049 3.351 weight 1.000 ! spec=noes..._ph5, no=2102, id=460, vol=4.768166e+06
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   31 and name  HB2) 2.667 0.889 0.889 weight 1.000 ! spec=noes..._ph5, no=2103, id=461, vol=1.136501e+07
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   31 and name  HB1) 2.784 0.969 0.969 weight 1.000 ! spec=noes..._ph5, no=2104, id=462, vol=7.174172e+06
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid    4 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=noes..._ph5, no=2105, id=463, vol=3.953970e+06
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid    9 and name HG21) (segid "   A" and resid   11 and name  HD1) 3.141 1.541 2.859 weight 1.000 ! spec=noes..._ph5, no=2106, id=464, vol=4.212980e+06
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid    9 and name HG23) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG21) 2.172 0.572 3.828 weight 1.000 ! spec=noes..._ph5, no=2107, id=465, vol=3.608746e+07
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG21) 1.988 0.494 0.494 weight 1.000 ! spec=noes..._ph5, no=2108, id=466, vol=6.255346e+07
    or (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   44 and name   HB) 1.950 0.475 0.475 weight 1.000 ! spec=noes..._ph5, no=2109, id=467, vol=7.455926e+07
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   44 and name   HB)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   44 and name   HB)
assign (segid "   A" and resid   44 and name HG22) (segid "   A" and resid   45 and name   HA) 3.065 1.174 1.174 weight 1.000 ! spec=noes..._ph5, no=2110, id=468, vol=4.295377e+06
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid   45 and name   HA)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid   45 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG22) 2.425 0.735 0.735 weight 1.000 ! spec=noes..._ph5, no=2114, id=472, vol=1.784668e+07
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG21)
assign (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HD1) 2.929 1.073 1.073 weight 1.000 ! spec=noes..._ph5, no=2123, id=481, vol=6.476115e+06
assign (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HB1) 2.544 0.809 0.809 weight 1.000 ! spec=noes..._ph5, no=2127, id=485, vol=1.657924e+07
assign (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HD2) 2.223 0.618 0.618 weight 1.000 ! spec=noes..._ph5, no=2128, id=486, vol=3.881419e+07
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HG1) 2.097 0.550 0.550 weight 1.000 ! spec=noes..._ph5, no=2129, id=487, vol=5.496407e+07
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid   46 and name  HG2) 2.404 0.723 0.723 weight 1.000 ! spec=noes..._ph5, no=2132, id=490, vol=2.517918e+07
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid   46 and name  HG2)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid   46 and name  HG2)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HB1) 2.658 0.883 0.883 weight 1.000 ! spec=noes..._ph5, no=2137, id=495, vol=1.261488e+07
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name   HA) 3.071 1.179 1.179 weight 1.000 ! spec=noes..._ph5, no=2139, id=497, vol=3.897002e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   31 and name  HB2) 1.876 0.276 4.124 weight 1.000 ! spec=noes..._ph5, no=2146, id=504, vol=1.007346e+08
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   30 and name  HB1) 1.959 0.359 4.041 weight 1.000 ! spec=noes..._ph5, no=2148, id=506, vol=7.722572e+07
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   31 and name   HA) 2.420 0.820 3.580 weight 1.000 ! spec=noes..._ph5, no=2150, id=508, vol=2.045509e+07
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.654 1.054 3.346 weight 1.000 ! spec=noes..._ph5, no=2151, id=509, vol=1.191324e+07
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HN) 2.794 0.976 0.976 weight 1.000 ! spec=noes..._ph5, no=2164, id=522, vol=8.828406e+06
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name   HN) 2.534 0.803 0.803 weight 1.000 ! spec=noes..._ph5, no=2165, id=523, vol=1.594752e+07
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   26 and name   HN) 3.032 1.149 1.149 weight 1.000 ! spec=noes..._ph5, no=2166, id=524, vol=5.901257e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.941 1.081 1.081 weight 1.000 ! spec=noes..._ph5, no=2167, id=525, vol=7.649456e+06
assign (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HB1) 2.302 0.662 0.662 weight 1.000 ! spec=noes..._ph5, no=2169, id=527, vol=3.108753e+07
assign (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HD2) 2.381 0.708 0.708 weight 1.000 ! spec=noes..._ph5, no=2171, id=529, vol=2.407032e+07
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HG2) 1.866 0.435 0.435 weight 1.000 ! spec=noes..._ph5, no=2172, id=530, vol=1.150881e+08
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HB2) 1.749 0.382 0.382 weight 1.000 ! spec=noes..._ph5, no=2173, id=531, vol=1.860923e+08
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HB1) 2.382 0.709 0.709 weight 1.000 ! spec=noes..._ph5, no=2178, id=536, vol=2.599158e+07
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HD1) 2.613 0.854 0.854 weight 1.000 ! spec=noes..._ph5, no=2179, id=537, vol=1.502165e+07
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   42 and name  HB2) 2.839 1.239 3.161 weight 1.000 ! spec=noes..._ph5, no=2182, id=540, vol=9.256291e+06
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name   HA) 2.631 1.031 3.369 weight 1.000 ! spec=noes..._ph5, no=2186, id=544, vol=1.260066e+07
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   19 and name   HN) 3.518 1.547 1.547 weight 1.000 ! spec=noes..._ph5, no=2193, id=551, vol=2.412816e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.881 1.281 3.119 weight 1.000 ! spec=noes..._ph5, no=2195, id=553, vol=7.992337e+06
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=noes..._ph5, no=2196, id=554, vol=5.377942e+06
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name  HD1) 2.803 0.982 0.982 weight 1.000 ! spec=noes..._ph5, no=2200, id=558, vol=9.157589e+06
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name  HB1) 2.284 0.652 0.652 weight 1.000 ! spec=noes..._ph5, no=2205, id=563, vol=3.266706e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HB1) 1.859 0.432 0.432 weight 1.000 ! spec=noes..._ph5, no=2209, id=567, vol=1.052034e+08
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HB1) 1.695 0.095 4.305 weight 1.000 ! spec=noes..._ph5, no=2210, id=568, vol=2.042664e+08
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HG1) 2.196 0.603 0.603 weight 1.000 ! spec=noes..._ph5, no=2212, id=570, vol=4.369418e+07
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HB2) 2.503 0.783 0.783 weight 1.000 ! spec=noes..._ph5, no=2218, id=576, vol=1.955704e+07
assign (segid "   A" and resid   31 and name   HG) (segid "   A" and resid   31 and name  HB1) 2.592 0.840 0.840 weight 1.000 ! spec=noes..._ph5, no=2220, id=578, vol=1.592583e+07
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name   HA) 2.837 1.006 1.006 weight 1.000 ! spec=noes..._ph5, no=2226, id=584, vol=7.543816e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name  HB2) 2.414 0.729 0.729 weight 1.000 ! spec=noes..._ph5, no=2232, id=590, vol=2.308496e+07
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   25 and name  HD1) 2.396 0.796 3.604 weight 1.000 ! spec=noes..._ph5, no=2236, id=594, vol=2.463167e+07
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA) 2.788 0.972 0.972 weight 1.000 ! spec=noes..._ph5, no=2237, id=595, vol=8.920703e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   31 and name   HN) 3.007 1.407 2.993 weight 1.000 ! spec=noes..._ph5, no=2238, id=596, vol=5.319385e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    2 and name HG22) 2.790 1.190 3.210 weight 1.000 ! spec=noes..._ph5, no=2241, id=599, vol=9.954540e+06
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    2 and name HG21)
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   15 and name HG12) 3.268 1.335 1.335 weight 1.000 ! spec=noes..._ph5, no=2243, id=601, vol=5.431783e+06
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HB2) 2.321 0.673 0.673 weight 1.000 ! spec=noes..._ph5, no=2244, id=602, vol=3.178859e+07
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HB1) 2.006 0.503 0.503 weight 1.000 ! spec=noes..._ph5, no=2245, id=603, vol=6.993536e+07
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD2) 2.686 0.902 0.902 weight 1.000 ! spec=noes..._ph5, no=2251, id=609, vol=1.343930e+07
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   37 and name   HA) 3.077 1.477 2.923 weight 1.000 ! spec=noes..._ph5, no=2254, id=612, vol=6.529805e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2) 2.446 0.748 0.748 weight 1.000 ! spec=noes..._ph5, no=2255, id=613, vol=1.868413e+07
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.857 1.257 3.143 weight 1.000 ! spec=noes..._ph5, no=2260, id=618, vol=7.615220e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.705 1.105 3.295 weight 1.000 ! spec=noes..._ph5, no=2262, id=620, vol=1.026359e+07
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=noes..._ph5, no=2264, id=622, vol=1.881271e+07
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HB1) 2.384 0.710 0.710 weight 1.000 ! spec=noes..._ph5, no=2269, id=627, vol=2.563879e+07
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HG1) 2.376 0.706 0.706 weight 1.000 ! spec=noes..._ph5, no=2273, id=631, vol=2.890764e+07
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name  HB1) 2.104 0.553 0.553 weight 1.000 ! spec=noes..._ph5, no=2274, id=632, vol=5.658793e+07
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name  HB1) 2.109 0.509 3.891 weight 1.000 ! spec=noes..._ph5, no=2275, id=633, vol=5.691098e+07
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HB2) 2.057 0.529 0.529 weight 1.000 ! spec=noes..._ph5, no=2277, id=635, vol=6.176775e+07
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HB1) 2.858 1.021 1.021 weight 1.000 ! spec=noes..._ph5, no=2278, id=636, vol=9.209513e+06
assign (segid "   A" and resid    2 and name HG22) (segid "   A" and resid   46 and name  HB1) 2.868 1.028 1.028 weight 1.000 ! spec=noes..._ph5, no=2279, id=637, vol=8.619856e+06
    or (segid "   A" and resid    2 and name HG23) (segid "   A" and resid   46 and name  HB1)
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name  HB1) 2.270 0.644 0.644 weight 1.000 ! spec=noes..._ph5, no=2280, id=638, vol=3.483597e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   31 and name HD23) 2.869 1.029 1.029 weight 1.000 ! spec=noes..._ph5, no=2281, id=639, vol=7.459516e+06
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   30 and name  HB1) 2.287 0.687 3.713 weight 1.000 ! spec=noes..._ph5, no=2282, id=640, vol=3.228725e+07
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   16 and name  HG1) (segid "   A" and resid   16 and name  HB1) 2.533 0.802 0.802 weight 1.000 ! spec=noes..._ph5, no=2284, id=642, vol=1.765139e+07
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name   HA) 2.866 1.027 1.027 weight 1.000 ! spec=noes..._ph5, no=2285, id=643, vol=7.629447e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 2.136 0.570 0.570 weight 1.000 ! spec=noes..._ph5, no=2289, id=647, vol=5.054798e+07
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=noes..._ph5, no=2295, id=653, vol=1.382899e+07
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name   HA) 2.701 0.912 0.912 weight 1.000 ! spec=noes..._ph5, no=2296, id=654, vol=9.491454e+06
assign (segid "   A" and resid   16 and name  HG1) (segid "   A" and resid   17 and name   HA) 2.454 0.854 3.546 weight 1.000 ! spec=noes..._ph5, no=2298, id=656, vol=1.654796e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.564 0.822 0.822 weight 1.000 ! spec=noes..._ph5, no=2300, id=658, vol=1.583082e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HB1) 1.963 0.482 0.482 weight 1.000 ! spec=noes..._ph5, no=2305, id=663, vol=8.594525e+07
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   20 and name  HB1) 2.993 1.393 3.007 weight 1.000 ! spec=noes..._ph5, no=2306, id=664, vol=5.758709e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HA) 2.780 0.966 0.966 weight 1.000 ! spec=noes..._ph5, no=2308, id=666, vol=1.050961e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.658 0.883 0.883 weight 1.000 ! spec=noes..._ph5, no=2310, id=668, vol=1.283107e+07
assign (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name   HB) 2.762 0.954 0.954 weight 1.000 ! spec=noes..._ph5, no=2311, id=669, vol=1.020258e+07
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name   HB) 2.811 0.988 0.988 weight 1.000 ! spec=noes..._ph5, no=2312, id=670, vol=8.566185e+06
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name   HB) 2.160 0.583 0.583 weight 1.000 ! spec=noes..._ph5, no=2313, id=671, vol=3.748200e+07
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name   HB) 2.408 0.725 0.725 weight 1.000 ! spec=noes..._ph5, no=2314, id=672, vol=1.979229e+07
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    4 and name  HB1) 2.533 0.802 0.802 weight 1.000 ! spec=noes..._ph5, no=2318, id=676, vol=1.703401e+07
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HB1) 2.040 0.520 0.520 weight 1.000 ! spec=noes..._ph5, no=2319, id=677, vol=6.535397e+07
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   17 and name  HB2) 3.009 1.132 1.132 weight 1.000 ! spec=noes..._ph5, no=2320, id=678, vol=6.467298e+06
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    5 and name   HN) 3.169 1.255 1.255 weight 1.000 ! spec=noes..._ph5, no=2326, id=684, vol=4.553550e+06
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name   HN) 3.239 1.639 2.761 weight 1.000 ! spec=noes..._ph5, no=2329, id=687, vol=2.778041e+06
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name  HB1) 1.913 0.457 0.457 weight 1.000 ! spec=noes..._ph5, no=2331, id=689, vol=9.456714e+07
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   34 and name  HB1) 2.346 0.746 3.654 weight 1.000 ! spec=noes..._ph5, no=2332, id=690, vol=2.614271e+07
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG1) 1.984 0.384 4.016 weight 1.000 ! spec=noes..._ph5, no=2333, id=691, vol=7.193863e+07
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name  HG2) 1.690 0.357 0.357 weight 1.000 ! spec=noes..._ph5, no=2334, id=692, vol=2.061160e+08
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    5 and name  HB1) 1.947 0.347 4.053 weight 1.000 ! spec=noes..._ph5, no=2335, id=693, vol=7.792504e+07
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   39 and name  HB1) 2.947 1.086 1.086 weight 1.000 ! spec=noes..._ph5, no=2336, id=694, vol=6.647931e+06
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   32 and name  HB2) 2.736 0.936 0.936 weight 1.000 ! spec=noes..._ph5, no=2339, id=697, vol=9.528296e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   40 and name   HA) 2.899 1.299 3.101 weight 1.000 ! spec=noes..._ph5, no=2340, id=698, vol=6.074115e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG1) 2.689 0.904 0.904 weight 1.000 ! spec=noes..._ph5, no=2342, id=700, vol=1.076211e+07
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    5 and name HD22) 2.493 0.893 3.507 weight 1.000 ! spec=noes..._ph5, no=2344, id=702, vol=1.790953e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG2) 2.812 0.989 0.989 weight 1.000 ! spec=noes..._ph5, no=2345, id=703, vol=8.862254e+06
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid   42 and name  HB1) 2.834 1.004 1.004 weight 1.000 ! spec=noes..._ph5, no=2346, id=704, vol=8.307939e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   28 and name  HB2) 2.608 1.008 3.392 weight 1.000 ! spec=noes..._ph5, no=2351, id=709, vol=1.456685e+07
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG2) 2.474 0.765 0.765 weight 1.000 ! spec=noes..._ph5, no=2352, id=710, vol=1.973854e+07
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HA) 3.269 1.336 1.336 weight 1.000 ! spec=noes..._ph5, no=2354, id=712, vol=1.639403e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN) 3.256 1.325 1.325 weight 1.000 ! spec=noes..._ph5, no=2362, id=720, vol=2.981317e+06
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name   HA) 2.599 0.844 0.844 weight 1.000 ! spec=noes..._ph5, no=2368, id=726, vol=1.521156e+07
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HB2) 1.870 0.437 0.437 weight 1.000 ! spec=noes..._ph5, no=2369, id=727, vol=9.846824e+07
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.913 1.061 1.061 weight 1.000 ! spec=noes..._ph5, no=2372, id=730, vol=6.381639e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HA) 3.154 1.243 1.243 weight 1.000 ! spec=noes..._ph5, no=2373, id=731, vol=1.529211e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.497 0.779 0.779 weight 1.000 ! spec=noes..._ph5, no=2374, id=732, vol=1.660415e+07
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   21 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=noes..._ph5, no=2375, id=733, vol=5.356311e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   25 and name  HD2) 2.812 0.988 0.988 weight 1.000 ! spec=noes..._ph5, no=2376, id=734, vol=8.185258e+06
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    6 and name   HA) 2.258 0.658 3.742 weight 1.000 ! spec=noes..._ph5, no=2378, id=736, vol=3.335508e+07
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   24 and name  HB1) 2.917 1.064 1.064 weight 1.000 ! spec=noes..._ph5, no=2380, id=738, vol=6.658846e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   30 and name HD12) 3.141 1.233 1.233 weight 1.000 ! spec=noes..._ph5, no=2381, id=739, vol=3.802141e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   30 and name  HB2) 3.234 1.308 1.308 weight 1.000 ! spec=noes..._ph5, no=2382, id=740, vol=4.371808e+06
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   43 and name  HB2) 2.316 0.716 3.684 weight 1.000 ! spec=noes..._ph5, no=2384, id=742, vol=3.035081e+07
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name  HD1) 1.998 0.398 4.002 weight 1.000 ! spec=noes..._ph5, no=2385, id=743, vol=7.104995e+07
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name  HB1) 1.723 0.371 0.371 weight 1.000 ! spec=noes..._ph5, no=2387, id=745, vol=1.632529e+08
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HB2) 1.671 0.349 0.349 weight 1.000 ! spec=noes..._ph5, no=2388, id=746, vol=1.958113e+08
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   43 and name  HB1) 3.015 1.415 2.985 weight 1.000 ! spec=noes..._ph5, no=2390, id=748, vol=5.050263e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   39 and name   HN) 3.203 1.283 1.283 weight 1.000 ! spec=noes..._ph5, no=2396, id=754, vol=4.034440e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HN) 2.580 0.832 0.832 weight 1.000 ! spec=noes..._ph5, no=2398, id=756, vol=1.337712e+07
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.531 0.801 0.801 weight 1.000 ! spec=noes..._ph5, no=2405, id=763, vol=1.541785e+07
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HB2) 1.846 0.426 0.426 weight 1.000 ! spec=noes..._ph5, no=2407, id=765, vol=1.106922e+08
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid    3 and name  HB1) 2.997 1.123 1.123 weight 1.000 ! spec=noes..._ph5, no=2408, id=766, vol=6.162032e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   34 and name  HB2) 3.081 1.481 2.919 weight 1.000 ! spec=noes..._ph5, no=2409, id=767, vol=4.978814e+06
assign (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   20 and name  HB1) 2.885 1.041 1.041 weight 1.000 ! spec=noes..._ph5, no=2410, id=768, vol=7.986526e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name  HB2) 1.861 0.261 4.139 weight 1.000 ! spec=noes..._ph5, no=2413, id=771, vol=1.017316e+08
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name  HB1) 2.174 0.591 0.591 weight 1.000 ! spec=noes..._ph5, no=2414, id=772, vol=5.321333e+07
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   43 and name  HB1) 2.677 1.077 3.323 weight 1.000 ! spec=noes..._ph5, no=2417, id=775, vol=1.193089e+07
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB1) 2.333 0.680 0.680 weight 1.000 ! spec=noes..._ph5, no=2420, id=778, vol=2.223885e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.662 0.886 0.886 weight 1.000 ! spec=noes..._ph5, no=2421, id=779, vol=1.270943e+07
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   44 and name   HA) 2.428 0.828 3.572 weight 1.000 ! spec=noes..._ph5, no=2423, id=781, vol=1.875888e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   19 and name   HN) 2.599 0.999 3.401 weight 1.000 ! spec=noes..._ph5, no=2424, id=782, vol=1.209246e+07
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name HD22) 3.097 1.199 1.199 weight 1.000 ! spec=noes..._ph5, no=2429, id=787, vol=5.419507e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.956 1.092 1.092 weight 1.000 ! spec=noes..._ph5, no=2430, id=788, vol=5.753611e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.680 0.897 0.897 weight 1.000 ! spec=noes..._ph5, no=2434, id=792, vol=1.118089e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 3.032 1.149 1.149 weight 1.000 ! spec=noes..._ph5, no=2436, id=794, vol=5.363253e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 2.949 1.087 1.087 weight 1.000 ! spec=noes..._ph5, no=2439, id=797, vol=7.557511e+06
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   42 and name   HN) 2.460 0.860 3.540 weight 1.000 ! spec=noes..._ph5, no=2440, id=798, vol=1.708766e+07
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   42 and name  HB1) 2.530 0.800 0.800 weight 1.000 ! spec=noes..._ph5, no=2446, id=804, vol=1.679124e+07
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB1) 2.335 0.682 0.682 weight 1.000 ! spec=noes..._ph5, no=2447, id=805, vol=2.222348e+07
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HD1) 1.870 0.437 0.437 weight 1.000 ! spec=noes..._ph5, no=2449, id=807, vol=1.130702e+08
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   45 and name  HB1) 1.714 0.114 4.286 weight 1.000 ! spec=noes..._ph5, no=2450, id=808, vol=1.711223e+08
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   27 and name  HB1) 2.732 1.132 3.268 weight 1.000 ! spec=noes..._ph5, no=2452, id=810, vol=1.060064e+07
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name  HD2) 2.718 0.923 0.923 weight 1.000 ! spec=noes..._ph5, no=2454, id=812, vol=1.117775e+07
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HD2) 2.734 0.934 0.934 weight 1.000 ! spec=noes..._ph5, no=2455, id=813, vol=1.117046e+07
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name  HD2) 2.883 1.039 1.039 weight 1.000 ! spec=noes..._ph5, no=2456, id=814, vol=8.341855e+06
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HD2) 2.956 1.092 1.092 weight 1.000 ! spec=noes..._ph5, no=2457, id=815, vol=7.059627e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB2) 2.516 0.791 0.791 weight 1.000 ! spec=noes..._ph5, no=2460, id=818, vol=1.546064e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 2.241 0.628 0.628 weight 1.000 ! spec=noes..._ph5, no=2461, id=819, vol=3.104626e+07
assign (segid "   A" and resid   26 and name HD22) (segid "   A" and resid   26 and name  HB2) 3.163 1.250 1.250 weight 1.000 ! spec=noes..._ph5, no=2462, id=820, vol=3.709681e+06
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=noes..._ph5, no=2464, id=822, vol=7.580458e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.807 1.207 3.193 weight 1.000 ! spec=noes..._ph5, no=2467, id=825, vol=9.036008e+06
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    6 and name HD23) 3.094 1.196 1.196 weight 1.000 ! spec=noes..._ph5, no=2469, id=827, vol=4.026189e+06
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    6 and name   HG) 3.207 1.285 1.285 weight 1.000 ! spec=noes..._ph5, no=2470, id=828, vol=3.052127e+06
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid   34 and name  HD2) 3.118 1.518 2.882 weight 1.000 ! spec=noes..._ph5, no=2471, id=829, vol=4.493066e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HD11) 2.789 0.973 0.973 weight 1.000 ! spec=noes..._ph5, no=2472, id=830, vol=9.306928e+06
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD2) 2.699 0.910 0.910 weight 1.000 ! spec=noes..._ph5, no=2473, id=831, vol=1.239491e+07
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD2) 2.708 0.917 0.917 weight 1.000 ! spec=noes..._ph5, no=2474, id=832, vol=1.104278e+07
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name  HG1) 2.991 1.118 1.118 weight 1.000 ! spec=noes..._ph5, no=2475, id=833, vol=5.281987e+06
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HE2) 2.634 0.867 0.867 weight 1.000 ! spec=noes..._ph5, no=2476, id=834, vol=9.866080e+06
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   11 and name  HG2) 2.957 1.093 1.093 weight 1.000 ! spec=noes..._ph5, no=2477, id=835, vol=6.180694e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name  HG2) 3.050 1.162 1.162 weight 1.000 ! spec=noes..._ph5, no=2478, id=836, vol=4.474767e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   20 and name  HB1) 1.801 0.201 4.199 weight 1.000 ! spec=noes..._ph5, no=2479, id=837, vol=1.166471e+08
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   11 and name  HD1) 3.071 1.179 1.179 weight 1.000 ! spec=noes..._ph5, no=2481, id=839, vol=4.550261e+06
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid    4 and name  HG1) 3.181 1.265 1.265 weight 1.000 ! spec=noes..._ph5, no=2482, id=840, vol=3.991203e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HE2) 2.519 0.919 3.481 weight 1.000 ! spec=noes..._ph5, no=2483, id=841, vol=1.686139e+07
assign (segid "   A" and resid   22 and name  HE2) (segid "   A" and resid   19 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=noes..._ph5, no=2487, id=845, vol=1.417599e+07
assign (segid "   A" and resid   22 and name  HE2) (segid "   A" and resid   19 and name  HB2) 2.013 0.507 0.507 weight 1.000 ! spec=noes..._ph5, no=2489, id=847, vol=6.322205e+07
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD1) 2.931 1.074 1.074 weight 1.000 ! spec=noes..._ph5, no=2492, id=850, vol=6.862914e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   19 and name  HB1) 2.649 0.877 0.877 weight 1.000 ! spec=noes..._ph5, no=2494, id=852, vol=9.615353e+06
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HB2) 2.357 0.695 0.695 weight 1.000 ! spec=noes..._ph5, no=2495, id=853, vol=2.719261e+07
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   19 and name  HB1) 2.598 0.844 0.844 weight 1.000 ! spec=noes..._ph5, no=2498, id=856, vol=1.574231e+07
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HD1) 2.872 1.031 1.031 weight 1.000 ! spec=noes..._ph5, no=2499, id=857, vol=8.764601e+06
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid    6 and name   HA) 2.354 0.693 0.693 weight 1.000 ! spec=noes..._ph5, no=2501, id=859, vol=2.242606e+07
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid    6 and name   HA) 2.740 0.939 0.939 weight 1.000 ! spec=noes..._ph5, no=2502, id=860, vol=8.869894e+06
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 2.689 0.904 0.904 weight 1.000 ! spec=noes..._ph5, no=2503, id=861, vol=1.113173e+07
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA) 2.578 0.831 0.831 weight 1.000 ! spec=noes..._ph5, no=2504, id=862, vol=1.485676e+07
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HB2) 2.212 0.612 0.612 weight 1.000 ! spec=noes..._ph5, no=2505, id=863, vol=3.786391e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 1.970 0.485 0.485 weight 1.000 ! spec=noes..._ph5, no=2506, id=864, vol=7.325825e+07
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB1) 3.103 1.204 1.204 weight 1.000 ! spec=noes..._ph5, no=2512, id=870, vol=5.204233e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.078 0.540 0.540 weight 1.000 ! spec=noes..._ph5, no=2513, id=871, vol=5.569895e+07
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   20 and name  HB1) 2.607 0.849 0.849 weight 1.000 ! spec=noes..._ph5, no=2514, id=872, vol=1.325301e+07
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HN) 2.827 0.999 0.999 weight 1.000 ! spec=noes..._ph5, no=2517, id=875, vol=8.046270e+06
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HD2) 2.464 0.759 0.759 weight 1.000 ! spec=noes..._ph5, no=2518, id=876, vol=2.167316e+07
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name  HD2) 2.669 0.891 0.891 weight 1.000 ! spec=noes..._ph5, no=2519, id=877, vol=1.206563e+07
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name  HB1) 2.001 0.501 0.501 weight 1.000 ! spec=noes..._ph5, no=2520, id=878, vol=6.863749e+07
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name  HD1) 1.680 0.353 0.353 weight 1.000 ! spec=noes..._ph5, no=2521, id=879, vol=1.684085e+08
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   40 and name   HA) 2.206 0.606 3.794 weight 1.000 ! spec=noes..._ph5, no=2522, id=880, vol=3.267203e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name  HD1) 2.885 1.285 3.115 weight 1.000 ! spec=noes..._ph5, no=2526, id=884, vol=6.071414e+06
assign (segid "   A" and resid   19 and name HD21) (segid "   A" and resid   36 and name  HD1) 2.552 0.952 3.448 weight 1.000 ! spec=noes..._ph5, no=2527, id=885, vol=1.785066e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA) 2.641 0.872 0.872 weight 1.000 ! spec=noes..._ph5, no=2530, id=888, vol=1.120559e+07
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   40 and name   HA) 2.194 0.594 3.806 weight 1.000 ! spec=noes..._ph5, no=2531, id=889, vol=3.414301e+07
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HD1) 1.809 0.409 0.409 weight 1.000 ! spec=noes..._ph5, no=2533, id=891, vol=1.254879e+08
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   43 and name  HB2) 2.089 0.489 3.911 weight 1.000 ! spec=noes..._ph5, no=2534, id=892, vol=5.152858e+07
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   39 and name  HB1) 3.106 1.206 1.206 weight 1.000 ! spec=noes..._ph5, no=2535, id=893, vol=4.544443e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   36 and name  HD1) 2.813 0.989 0.989 weight 1.000 ! spec=noes..._ph5, no=2536, id=894, vol=8.085973e+06
assign (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HD2) 2.727 0.930 0.930 weight 1.000 ! spec=noes..._ph5, no=2540, id=898, vol=1.251641e+07
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name  HD2) 2.670 0.891 0.891 weight 1.000 ! spec=noes..._ph5, no=2541, id=899, vol=1.461579e+07
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD1) 2.453 0.752 0.752 weight 1.000 ! spec=noes..._ph5, no=2543, id=901, vol=2.066491e+07
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   30 and name  HB2) 2.891 1.291 3.109 weight 1.000 ! spec=noes..._ph5, no=2545, id=903, vol=6.926808e+06
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HG2) 3.052 1.165 1.165 weight 1.000 ! spec=noes..._ph5, no=2546, id=904, vol=5.153197e+06
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   43 and name  HB1) 2.282 0.682 3.718 weight 1.000 ! spec=noes..._ph5, no=2548, id=906, vol=2.900788e+07
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   43 and name  HB1)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 2.251 0.633 0.633 weight 1.000 ! spec=noes..._ph5, no=2549, id=907, vol=3.621893e+07
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HB2) 1.815 0.412 0.412 weight 1.000 ! spec=noes..._ph5, no=2550, id=908, vol=1.172587e+08
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   35 and name  HB2) 3.036 1.436 2.964 weight 1.000 ! spec=noes..._ph5, no=2552, id=910, vol=5.578472e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HB1) 2.256 0.636 0.636 weight 1.000 ! spec=noes..._ph5, no=2555, id=913, vol=3.661872e+07
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   12 and name  HA1) 2.689 0.904 0.904 weight 1.000 ! spec=noes..._ph5, no=2556, id=914, vol=1.189987e+07
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name   HA) 2.690 0.904 0.904 weight 1.000 ! spec=noes..._ph5, no=2558, id=916, vol=1.062919e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=noes..._ph5, no=2559, id=917, vol=1.038337e+07
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name  HB1) 3.135 1.229 1.229 weight 1.000 ! spec=noes..._ph5, no=2561, id=919, vol=5.077321e+06
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name  HG1) 2.751 0.946 0.946 weight 1.000 ! spec=noes..._ph5, no=2562, id=920, vol=1.033314e+07
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD1) 2.517 0.792 0.792 weight 1.000 ! spec=noes..._ph5, no=2563, id=921, vol=1.714513e+07
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name  HB2) 2.989 1.117 1.117 weight 1.000 ! spec=noes..._ph5, no=2564, id=922, vol=5.864130e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HB2) 2.109 0.556 0.556 weight 1.000 ! spec=noes..._ph5, no=2565, id=923, vol=4.757400e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.560 0.819 0.819 weight 1.000 ! spec=noes..._ph5, no=2567, id=925, vol=1.442746e+07
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   12 and name  HA2) 2.805 0.984 0.984 weight 1.000 ! spec=noes..._ph5, no=2568, id=926, vol=8.591551e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HN) 2.931 1.074 1.074 weight 1.000 ! spec=noes..._ph5, no=2569, id=927, vol=6.035630e+06
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HD2) 2.582 0.833 0.833 weight 1.000 ! spec=noes..._ph5, no=2571, id=929, vol=1.436282e+07
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD2) 2.619 0.858 0.858 weight 1.000 ! spec=noes..._ph5, no=2572, id=930, vol=1.236761e+07
assign (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   12 and name  HA1) 2.718 0.923 0.923 weight 1.000 ! spec=noes..._ph5, no=2573, id=931, vol=8.832447e+06
assign (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   12 and name  HA2) 2.063 0.532 0.532 weight 1.000 ! spec=noes..._ph5, no=2574, id=932, vol=4.043846e+07
assign (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   15 and name   HB) 2.533 0.802 0.802 weight 1.000 ! spec=noes..._ph5, no=2575, id=933, vol=1.785804e+07
assign (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   16 and name  HG1) 3.242 1.314 1.314 weight 1.000 ! spec=noes..._ph5, no=2576, id=934, vol=3.985610e+06
assign (segid "   A" and resid   16 and name  HD1) (segid "   A" and resid   15 and name   HB) 2.494 0.777 0.777 weight 1.000 ! spec=noes..._ph5, no=2577, id=935, vol=1.603608e+07
assign (segid "   A" and resid   16 and name  HD1) (segid "   A" and resid   16 and name  HG1) 2.822 0.996 0.996 weight 1.000 ! spec=noes..._ph5, no=2579, id=937, vol=8.702616e+06
assign (segid "   A" and resid   12 and name  HA2) (segid "   A" and resid   12 and name  HA1) 2.080 0.541 0.541 weight 1.000 ! spec=noes..._ph5, no=2581, id=939, vol=6.054576e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HA2) 2.692 0.906 0.906 weight 1.000 ! spec=noes..._ph5, no=2582, id=940, vol=1.053640e+07
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA) 2.866 1.027 1.027 weight 1.000 ! spec=noes..._ph5, no=2584, id=942, vol=8.256591e+06
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=noes..._ph5, no=2585, id=943, vol=8.389103e+06
assign (segid "   A" and resid    8 and name  HA1) (segid "   A" and resid    8 and name  HA2) 1.907 0.455 0.455 weight 1.000 ! spec=noes..._ph5, no=2587, id=945, vol=8.934166e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=noes..._ph5, no=2588, id=946, vol=8.472226e+06
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB1) 2.292 0.656 0.656 weight 1.000 ! spec=noes..._ph5, no=2590, id=948, vol=2.462798e+07
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name  HB2) 1.851 0.428 0.428 weight 1.000 ! spec=noes..._ph5, no=2591, id=949, vol=1.061020e+08
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=noes..._ph5, no=2592, id=950, vol=9.063075e+06
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HA) 2.633 0.867 0.867 weight 1.000 ! spec=noes..._ph5, no=2593, id=951, vol=1.315978e+07
assign (segid "   A" and resid   33 and name  HA1) (segid "   A" and resid   33 and name   HN) 2.289 0.655 0.655 weight 1.000 ! spec=noes..._ph5, no=2594, id=952, vol=2.793646e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   44 and name   HB) 2.826 0.998 0.998 weight 1.000 ! spec=noes..._ph5, no=2598, id=956, vol=7.871224e+06
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.485 0.772 0.772 weight 1.000 ! spec=noes..._ph5, no=2602, id=960, vol=1.928249e+07
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   24 and name   HA) 3.018 1.418 2.982 weight 1.000 ! spec=noes..._ph5, no=2603, id=961, vol=6.192706e+06
assign (segid "   A" and resid   18 and name  HA1) (segid "   A" and resid   20 and name  HB2) 2.613 1.013 3.387 weight 1.000 ! spec=noes..._ph5, no=2604, id=962, vol=1.513914e+07
assign (segid "   A" and resid   18 and name  HA1) (segid "   A" and resid   17 and name  HB2) 2.568 0.968 3.432 weight 1.000 ! spec=noes..._ph5, no=2606, id=964, vol=1.389119e+07
assign (segid "   A" and resid   33 and name  HA1) (segid "   A" and resid   22 and name   HA) 2.016 0.416 3.984 weight 1.000 ! spec=noes..._ph5, no=2608, id=966, vol=6.812691e+07
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB2) 2.301 0.662 0.662 weight 1.000 ! spec=noes..._ph5, no=2611, id=969, vol=2.444580e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.860 1.023 1.023 weight 1.000 ! spec=noes..._ph5, no=2612, id=970, vol=7.548169e+06
assign (segid "   A" and resid   18 and name  HA1) (segid "   A" and resid   18 and name  HA2) 2.340 0.684 0.684 weight 1.000 ! spec=noes..._ph5, no=2613, id=971, vol=2.967669e+07
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   43 and name   HA) 2.887 1.042 1.042 weight 1.000 ! spec=noes..._ph5, no=2615, id=973, vol=5.632824e+06
assign (segid "   A" and resid   27 and name HD21) (segid "   A" and resid   24 and name   HA) 3.093 1.493 2.907 weight 1.000 ! spec=noes..._ph5, no=2618, id=976, vol=4.115057e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HA1) 3.142 1.234 1.234 weight 1.000 ! spec=noes..._ph5, no=2623, id=981, vol=4.139588e+06
assign (segid "   A" and resid   31 and name   HG) (segid "   A" and resid   31 and name   HA) 2.636 0.868 0.868 weight 1.000 ! spec=noes..._ph5, no=2626, id=984, vol=1.180563e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=noes..._ph5, no=2627, id=985, vol=1.199973e+07
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.325 0.676 0.676 weight 1.000 ! spec=noes..._ph5, no=2629, id=987, vol=2.742860e+07
assign (segid "   A" and resid   12 and name  HA1) (segid "   A" and resid   12 and name   HN) 2.913 1.061 1.061 weight 1.000 ! spec=noes..._ph5, no=2633, id=991, vol=6.241616e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.690 0.904 0.904 weight 1.000 ! spec=noes..._ph5, no=2637, id=995, vol=1.069705e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.158 0.582 0.582 weight 1.000 ! spec=noes..._ph5, no=2643, id=1001, vol=4.239637e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HB2) 2.889 1.289 3.111 weight 1.000 ! spec=noes..._ph5, no=2644, id=1002, vol=6.287083e+06
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA) 2.318 0.672 0.672 weight 1.000 ! spec=noes..._ph5, no=2645, id=1003, vol=2.833538e+07
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HA) 2.397 0.718 0.718 weight 1.000 ! spec=noes..._ph5, no=2646, id=1004, vol=2.435617e+07
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=noes..._ph5, no=2648, id=1006, vol=2.463508e+07
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.543 0.809 0.809 weight 1.000 ! spec=noes..._ph5, no=2649, id=1007, vol=1.679527e+07
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name   HA) 2.249 0.649 3.751 weight 1.000 ! spec=noes..._ph5, no=2650, id=1008, vol=3.404676e+07
assign (segid "   A" and resid   18 and name  HA2) (segid "   A" and resid   20 and name  HB1) 2.693 1.093 3.307 weight 1.000 ! spec=noes..._ph5, no=2651, id=1009, vol=1.251988e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.155 0.581 0.581 weight 1.000 ! spec=noes..._ph5, no=2652, id=1010, vol=4.619617e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   24 and name   HN) 2.987 1.387 3.013 weight 1.000 ! spec=noes..._ph5, no=2656, id=1014, vol=5.363958e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HN) 2.990 1.118 1.118 weight 1.000 ! spec=noes..._ph5, no=2657, id=1015, vol=6.012731e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.992 1.119 1.119 weight 1.000 ! spec=noes..._ph5, no=2658, id=1016, vol=6.056464e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 3.041 1.156 1.156 weight 1.000 ! spec=noes..._ph5, no=2659, id=1017, vol=4.103666e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.981 1.111 1.111 weight 1.000 ! spec=noes..._ph5, no=2661, id=1019, vol=6.296047e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.877 1.277 3.123 weight 1.000 ! spec=noes..._ph5, no=2663, id=1021, vol=6.087290e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.909 1.309 3.091 weight 1.000 ! spec=noes..._ph5, no=2664, id=1022, vol=7.174926e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.862 1.024 1.024 weight 1.000 ! spec=noes..._ph5, no=2665, id=1023, vol=8.226953e+06
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   36 and name   HN) 3.104 1.204 1.204 weight 1.000 ! spec=noes..._ph5, no=2666, id=1024, vol=5.502974e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.018 1.418 2.982 weight 1.000 ! spec=noes..._ph5, no=2671, id=1029, vol=5.433096e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.491 0.891 3.509 weight 1.000 ! spec=noes..._ph5, no=2672, id=1030, vol=1.818255e+07
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   37 and name   HN) 2.987 1.115 1.115 weight 1.000 ! spec=noes..._ph5, no=2675, id=1033, vol=5.806101e+06
assign (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD23) 2.828 1.228 3.172 weight 1.000 ! spec=noes..._ph5, no=2676, id=1034, vol=6.593593e+06
    or (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD11) 3.168 1.254 1.254 weight 1.000 ! spec=noes..._ph5, no=2677, id=1035, vol=3.265661e+06
    or (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid   42 and name  HZ2) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid   42 and name  HZ2) 2.966 1.100 1.100 weight 1.000 ! spec=noes..._ph5, no=2678, id=1036, vol=5.920545e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD11) 3.279 1.344 1.344 weight 1.000 ! spec=noes..._ph5, no=2679, id=1037, vol=2.784475e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid   42 and name  HH2) (segid "   A" and resid   11 and name  HG1) 3.154 1.554 2.846 weight 1.000 ! spec=noes..._ph5, no=2680, id=1038, vol=3.977797e+06
assign (segid "   A" and resid   42 and name  HH2) (segid "   A" and resid   11 and name  HD1) 3.167 1.254 1.254 weight 1.000 ! spec=noes..._ph5, no=2682, id=1040, vol=4.228316e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HN) 3.077 1.184 1.184 weight 1.000 ! spec=noes..._ph5, no=2683, id=1041, vol=4.810454e+06
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   34 and name  HB1) 3.154 1.554 2.846 weight 1.000 ! spec=noes..._ph5, no=2685, id=1043, vol=4.376433e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HA2) 3.281 1.681 2.719 weight 1.000 ! spec=noes..._ph5, no=2692, id=1050, vol=3.273343e+06
assign (segid "   A" and resid   19 and name HD22) (segid "   A" and resid   20 and name   HA) 3.058 1.169 1.169 weight 1.000 ! spec=noes..._ph5, no=2693, id=1051, vol=4.433367e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HB) 2.951 1.089 1.089 weight 1.000 ! spec=noes..._ph5, no=2694, id=1052, vol=5.375090e+06
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   42 and name  HH2) 2.548 0.948 3.452 weight 1.000 ! spec=noes..._ph5, no=2698, id=1056, vol=1.349114e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 1.727 0.127 4.273 weight 1.000 ! spec=noes..._ph5, no=2700, id=1058, vol=1.359113e+08
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name HD21) 1.603 0.321 0.321 weight 1.000 ! spec=noes..._ph5, no=2701, id=1059, vol=2.058118e+08
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   19 and name   HN) 1.757 0.157 4.243 weight 1.000 ! spec=noes..._ph5, no=2702, id=1060, vol=1.190724e+08
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   18 and name  HA2) (segid "   A" and resid   39 and name  HD1) 2.637 0.869 0.869 weight 1.000 ! spec=noes..._ph5, no=2703, id=1061, vol=1.231225e+07
    or (segid "   A" and resid   18 and name  HA2) (segid "   A" and resid   39 and name  HD2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.669 0.891 0.891 weight 1.000 ! spec=noes..._ph5, no=2704, id=1062, vol=1.159046e+07
assign (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   21 and name  HB2) 3.263 1.331 1.331 weight 1.000 ! spec=noes..._ph5, no=2705, id=1063, vol=2.975666e+06
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid   11 and name  HD1) 3.149 1.240 1.240 weight 1.000 ! spec=noes..._ph5, no=2706, id=1064, vol=3.968971e+06
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   42 and name  HE3) 2.334 0.734 3.666 weight 1.000 ! spec=noes..._ph5, no=2707, id=1065, vol=2.727786e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=noes..._ph5, no=2709, id=1067, vol=5.306054e+06
assign (segid "   A" and resid   33 and name  HA1) (segid "   A" and resid   24 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=noes..._ph5, no=2710, id=1068, vol=3.942535e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.929 1.072 1.072 weight 1.000 ! spec=noes..._ph5, no=2711, id=1069, vol=6.596556e+06
assign (segid "   A" and resid   33 and name  HA1) (segid "   A" and resid   32 and name   HA) 3.259 1.328 1.328 weight 1.000 ! spec=noes..._ph5, no=2716, id=1074, vol=2.583802e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.147 1.238 1.238 weight 1.000 ! spec=noes..._ph5, no=2719, id=1077, vol=4.138713e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name  HG2) 3.126 1.526 2.874 weight 1.000 ! spec=noes..._ph5, no=2721, id=1079, vol=3.972085e+06
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB1) 3.230 1.304 1.304 weight 1.000 ! spec=noes..._ph5, no=2725, id=1083, vol=3.654707e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HD2) 1.916 0.459 0.459 weight 1.000 ! spec=noes..._ph5, no=2727, id=1085, vol=8.532274e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.130 1.224 1.224 weight 1.000 ! spec=noes..._ph5, no=2731, id=1089, vol=4.490465e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   40 and name   HN) 2.849 1.249 3.151 weight 1.000 ! spec=noes..._ph5, no=2732, id=1090, vol=8.279434e+06
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   39 and name   HN) 3.203 1.282 1.282 weight 1.000 ! spec=noes..._ph5, no=2734, id=1092, vol=5.629474e+06
assign (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid   42 and name  HB1) 3.049 1.449 2.951 weight 1.000 ! spec=noes..._ph5, no=2735, id=1093, vol=4.976647e+06
assign (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   20 and name  HB2) 3.166 1.253 1.253 weight 1.000 ! spec=noes..._ph5, no=2737, id=1095, vol=3.297685e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   43 and name  HB1) 3.148 1.548 2.852 weight 1.000 ! spec=noes..._ph5, no=2741, id=1099, vol=4.767741e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HB2) 2.292 0.656 0.656 weight 1.000 ! spec=noes..._ph5, no=2745, id=1103, vol=3.414627e+07
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HD1) 2.892 1.046 1.046 weight 1.000 ! spec=noes..._ph5, no=2746, id=1104, vol=7.022112e+06
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   31 and name HD11) 2.964 1.098 1.098 weight 1.000 ! spec=noes..._ph5, no=2748, id=1106, vol=6.794969e+06
    or (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG21) 2.664 0.887 0.887 weight 1.000 ! spec=noes..._ph5, no=2749, id=1107, vol=1.089593e+07
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid   34 and name  HB1) 3.183 1.583 2.817 weight 1.000 ! spec=noes..._ph5, no=2750, id=1108, vol=3.719790e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD23) 2.003 0.501 0.501 weight 1.000 ! spec=noes..._ph5, no=2752, id=1110, vol=5.642680e+07
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD22)
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   41 and name   HA) 3.216 1.616 2.784 weight 1.000 ! spec=noes..._ph5, no=2754, id=1112, vol=3.462966e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HN) 3.134 1.228 1.228 weight 1.000 ! spec=noes..._ph5, no=2756, id=1114, vol=4.589868e+06
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD11) 3.122 1.218 1.218 weight 1.000 ! spec=noes..._ph5, no=2757, id=1115, vol=4.040015e+06
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HN) 3.094 1.197 1.197 weight 1.000 ! spec=noes..._ph5, no=2760, id=1118, vol=4.438247e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   29 and name   HA) 2.848 1.248 3.152 weight 1.000 ! spec=noes..._ph5, no=2761, id=1119, vol=8.084444e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name  HB1) 3.187 1.587 2.813 weight 1.000 ! spec=noes..._ph5, no=2762, id=1120, vol=3.737038e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name HD21) 2.284 0.684 3.716 weight 1.000 ! spec=noes..._ph5, no=2763, id=1121, vol=2.762069e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HA2) 3.185 1.268 1.268 weight 1.000 ! spec=noes..._ph5, no=2765, id=1123, vol=4.610223e+06
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid    6 and name HD23) 3.018 1.139 1.139 weight 1.000 ! spec=noes..._ph5, no=2766, id=1124, vol=4.215749e+06
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid    6 and name HD21)
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid    6 and name HD22)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HN) 2.963 1.363 3.037 weight 1.000 ! spec=noes..._ph5, no=2768, id=1126, vol=6.665722e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=noes..._ph5, no=2770, id=1128, vol=6.628915e+05
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   29 and name  HE1) 2.843 1.243 3.157 weight 1.000 ! spec=noes..._ph5, no=2774, id=1132, vol=7.469527e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   25 and name  HD1) 3.129 1.224 1.224 weight 1.000 ! spec=noes..._ph5, no=2775, id=1133, vol=4.199191e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.209 1.287 1.287 weight 1.000 ! spec=noes..._ph5, no=2777, id=1135, vol=3.709467e+06
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid    2 and name   HN) 3.235 1.308 1.308 weight 1.000 ! spec=noes..._ph5, no=2779, id=1137, vol=3.231946e+06
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   31 and name  HB1) 3.256 1.325 1.325 weight 1.000 ! spec=noes..._ph5, no=2780, id=1138, vol=3.455969e+06
assign (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   25 and name  HD1) 3.058 1.458 2.942 weight 1.000 ! spec=noes..._ph5, no=2782, id=1140, vol=4.424770e+06
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   36 and name   HN) 3.107 1.206 1.206 weight 1.000 ! spec=noes..._ph5, no=2784, id=1142, vol=5.481626e+06
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   26 and name HD22) 2.968 1.101 1.101 weight 1.000 ! spec=noes..._ph5, no=2786, id=1144, vol=6.655079e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid    4 and name   HA) 2.808 1.208 3.192 weight 1.000 ! spec=noes..._ph5, no=2789, id=1147, vol=9.245989e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   15 and name HG12) 3.193 1.274 1.274 weight 1.000 ! spec=noes..._ph5, no=2790, id=1148, vol=4.467821e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   43 and name  HB2) 3.260 1.328 1.328 weight 1.000 ! spec=noes..._ph5, no=2791, id=1149, vol=3.016297e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 3.083 1.188 1.188 weight 1.000 ! spec=noes..._ph5, no=2792, id=1150, vol=5.023584e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name   HN) 3.240 1.312 1.312 weight 1.000 ! spec=noes..._ph5, no=2793, id=1151, vol=3.636561e+06
# Restraints file 2: ambig.tbl


assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HB) 3.024 1.143 1.143 weight 1.000 ! spec=noes..._ph5, no=1649, id=7, vol=4.531971e+06
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid    2 and name   HB)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.826 0.998 0.998 weight 1.000 ! spec=noes..._ph5, no=1657, id=15, vol=7.580169e+06
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB1)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   36 and name   HA) 2.795 1.195 3.205 weight 1.000 ! spec=noes..._ph5, no=1665, id=23, vol=1.010956e+07
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   45 and name   HA)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD12) 3.251 1.321 1.321 weight 1.000 ! spec=noes..._ph5, no=1695, id=53, vol=3.525579e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name   HA) 3.013 1.135 1.135 weight 1.000 ! spec=noes..._ph5, no=1697, id=55, vol=4.786964e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HA1) 2.811 0.988 0.988 weight 1.000 ! spec=noes..._ph5, no=1712, id=70, vol=8.201810e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HA) 2.590 0.990 3.410 weight 1.000 ! spec=noes..._ph5, no=1732, id=90, vol=1.510710e+07
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HG2) 2.651 0.879 0.879 weight 1.000 ! spec=noes..._ph5, no=1747, id=105, vol=1.113218e+07
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   45 and name HD21) 2.406 0.723 0.723 weight 1.000 ! spec=noes..._ph5, no=1765, id=123, vol=1.809249e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN)
assign (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   25 and name   HA) 2.752 1.152 3.248 weight 1.000 ! spec=noes..._ph5, no=1804, id=162, vol=9.176348e+06
    or (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.501 0.782 0.782 weight 1.000 ! spec=noes..._ph5, no=1816, id=174, vol=1.711461e+07
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD11) 3.023 1.143 1.143 weight 1.000 ! spec=noes..._ph5, no=1833, id=191, vol=4.277153e+06
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   31 and name HD12)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   28 and name  HG2) 2.939 1.339 3.061 weight 1.000 ! spec=noes..._ph5, no=1837, id=195, vol=5.774467e+06
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   28 and name  HG1)
assign (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid    4 and name  HG2) 3.210 1.288 1.288 weight 1.000 ! spec=noes..._ph5, no=1847, id=205, vol=3.863491e+06
    or (segid "   A" and resid   42 and name  HZ3) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG1) 2.757 1.157 3.243 weight 1.000 ! spec=noes..._ph5, no=1867, id=225, vol=9.340108e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HB2) 3.259 1.328 1.328 weight 1.000 ! spec=noes..._ph5, no=1872, id=230, vol=3.462117e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   42 and name  HB1) 2.274 0.647 0.647 weight 1.000 ! spec=noes..._ph5, no=1890, id=248, vol=2.872013e+07
    or (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   14 and name  HB2) 2.685 1.085 3.315 weight 1.000 ! spec=noes..._ph5, no=1893, id=251, vol=1.112505e+07
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    1 and name  HE1)
    or (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid    1 and name  HE2)
assign (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   34 and name  HB1) 2.692 1.092 3.308 weight 1.000 ! spec=noes..._ph5, no=1899, id=257, vol=1.188518e+07
    or (segid "   A" and resid   42 and name  HE3) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   36 and name  HB2) 3.126 1.222 1.222 weight 1.000 ! spec=noes..._ph5, no=1900, id=258, vol=4.257920e+06
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   36 and name  HB2)
    or (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   36 and name  HG1)
    or (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   36 and name  HG1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HA2) 2.828 1.000 1.000 weight 1.000 ! spec=noes..._ph5, no=1907, id=265, vol=6.672563e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   34 and name   HN) 3.468 1.503 1.503 weight 1.000 ! spec=noes..._ph5, no=1912, id=270, vol=1.856379e+06
    or (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   35 and name   HN)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=noes..._ph5, no=1935, id=293, vol=3.201734e+07
    or (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   33 and name   HN)
assign (segid "   A" and resid   33 and name  HA2) (segid "   A" and resid   33 and name   HN) 1.962 0.481 0.481 weight 1.000 ! spec=noes..._ph5, no=1957, id=315, vol=6.685859e+07
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.892 1.046 1.046 weight 1.000 ! spec=noes..._ph5, no=1974, id=332, vol=6.928121e+06
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB1)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB1) 2.548 0.812 0.812 weight 1.000 ! spec=noes..._ph5, no=1975, id=333, vol=1.664857e+07
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2) 2.449 0.750 0.750 weight 1.000 ! spec=noes..._ph5, no=1977, id=335, vol=1.974829e+07
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HG1)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD12) 2.716 0.922 0.922 weight 1.000 ! spec=noes..._ph5, no=1981, id=339, vol=1.104751e+07
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   30 and name HD22)
assign (segid "   A" and resid    6 and name HD23) (segid "   A" and resid   34 and name  HB2) 2.571 0.971 3.429 weight 1.000 ! spec=noes..._ph5, no=2009, id=367, vol=1.416658e+07
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid    6 and name HD23) (segid "   A" and resid   41 and name  HB1)
    or (segid "   A" and resid    6 and name HD21) (segid "   A" and resid   41 and name  HB1)
    or (segid "   A" and resid    6 and name HD22) (segid "   A" and resid   41 and name  HB1)
assign (segid "   A" and resid    6 and name   HG) (segid "   A" and resid   34 and name  HB2) 2.828 1.228 3.172 weight 1.000 ! spec=noes..._ph5, no=2027, id=385, vol=7.318748e+06
    or (segid "   A" and resid    6 and name   HG) (segid "   A" and resid   41 and name  HB1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   33 and name   HN) 3.151 1.241 1.241 weight 1.000 ! spec=noes..._ph5, no=2097, id=455, vol=4.100362e+06
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   33 and name   HN) 2.973 1.373 3.027 weight 1.000 ! spec=noes..._ph5, no=2098, id=456, vol=5.418293e+06
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   44 and name   HN)
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   44 and name   HN)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   44 and name   HN)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   20 and name  HB1) 3.099 1.200 1.200 weight 1.000 ! spec=noes..._ph5, no=2141, id=499, vol=4.680977e+06
    or (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   32 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=noes..._ph5, no=2152, id=510, vol=7.538640e+06
    or (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HD2) 2.643 0.873 0.873 weight 1.000 ! spec=noes..._ph5, no=2155, id=513, vol=1.268597e+07
    or (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name   HA) 2.697 0.909 0.909 weight 1.000 ! spec=noes..._ph5, no=2158, id=516, vol=1.036703e+07
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   25 and name  HG1) 2.624 1.024 3.376 weight 1.000 ! spec=noes..._ph5, no=2162, id=520, vol=1.195368e+07
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   25 and name  HG2)
assign (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HB1) 2.618 0.857 0.857 weight 1.000 ! spec=noes..._ph5, no=2170, id=528, vol=1.451540e+07
    or (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HB1) 2.066 0.534 0.534 weight 1.000 ! spec=noes..._ph5, no=2174, id=532, vol=5.739088e+07
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HB1) 2.174 0.591 0.591 weight 1.000 ! spec=noes..._ph5, no=2175, id=533, vol=4.689134e+07
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD2) 1.910 0.456 0.456 weight 1.000 ! spec=noes..._ph5, no=2176, id=534, vol=8.764737e+07
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HD2)
    or (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HD2)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HE2) 2.394 0.716 0.716 weight 1.000 ! spec=noes..._ph5, no=2180, id=538, vol=2.554693e+07
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HE1)
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD2) 2.438 0.743 0.743 weight 1.000 ! spec=noes..._ph5, no=2185, id=543, vol=2.061263e+07
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   32 and name  HB1) 3.121 1.217 1.217 weight 1.000 ! spec=noes..._ph5, no=2199, id=557, vol=3.822019e+06
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    5 and name  HB2) 3.115 1.213 1.213 weight 1.000 ! spec=noes..._ph5, no=2203, id=561, vol=4.980116e+06
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD1) 1.853 0.429 0.429 weight 1.000 ! spec=noes..._ph5, no=2206, id=564, vol=1.260362e+08
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB1) 2.148 0.577 0.577 weight 1.000 ! spec=noes..._ph5, no=2207, id=565, vol=5.168660e+07
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid    1 and name  HB2) 2.242 0.642 3.758 weight 1.000 ! spec=noes..._ph5, no=2208, id=566, vol=4.098856e+07
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid    1 and name  HB1)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HB1) 1.907 0.455 0.455 weight 1.000 ! spec=noes..._ph5, no=2211, id=569, vol=1.017857e+08
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name   HN) 2.912 1.060 1.060 weight 1.000 ! spec=noes..._ph5, no=2214, id=572, vol=7.922235e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HN)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD1) 1.935 0.468 0.468 weight 1.000 ! spec=noes..._ph5, no=2219, id=577, vol=7.902104e+07
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HB2) 2.280 0.650 0.650 weight 1.000 ! spec=noes..._ph5, no=2222, id=580, vol=3.674916e+07
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE2) 2.382 0.709 0.709 weight 1.000 ! spec=noes..._ph5, no=2224, id=582, vol=2.282705e+07
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE1)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HE1)
assign (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HG) 2.123 0.563 0.563 weight 1.000 ! spec=noes..._ph5, no=2231, id=589, vol=5.345013e+07
    or (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name   HG)
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HA) 2.702 0.913 0.913 weight 1.000 ! spec=noes..._ph5, no=2265, id=623, vol=1.104963e+07
    or (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   30 and name HD12) 2.999 1.125 1.125 weight 1.000 ! spec=noes..._ph5, no=2283, id=641, vol=5.200140e+06
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HB1) 2.271 0.645 0.645 weight 1.000 ! spec=noes..._ph5, no=2286, id=644, vol=3.410328e+07
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HB2)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name  HD1) 2.275 0.647 0.647 weight 1.000 ! spec=noes..._ph5, no=2287, id=645, vol=3.617663e+07
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name  HD2)
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name  HD1)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name  HB1) 2.430 0.738 0.738 weight 1.000 ! spec=noes..._ph5, no=2288, id=646, vol=2.210860e+07
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HB1) 2.414 0.728 0.728 weight 1.000 ! spec=noes..._ph5, no=2290, id=648, vol=2.560742e+07
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG2) 2.321 0.673 0.673 weight 1.000 ! spec=noes..._ph5, no=2291, id=649, vol=3.040616e+07
    or (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name  HE1) 3.126 1.221 1.221 weight 1.000 ! spec=noes..._ph5, no=2292, id=650, vol=4.952918e+06
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name  HE2)
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name  HE1)
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD1) 3.117 1.214 1.214 weight 1.000 ! spec=noes..._ph5, no=2294, id=652, vol=4.172336e+06
    or (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   24 and name   HA) 3.096 1.198 1.198 weight 1.000 ! spec=noes..._ph5, no=2297, id=655, vol=4.390148e+06
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   12 and name  HA1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG1) 2.899 1.050 1.050 weight 1.000 ! spec=noes..._ph5, no=2299, id=657, vol=6.958327e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   26 and name HD22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2)
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    4 and name   HN) 2.987 1.387 3.013 weight 1.000 ! spec=noes..._ph5, no=2301, id=659, vol=6.042632e+06
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    4 and name   HN)
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   12 and name   HN) 3.221 1.621 2.779 weight 1.000 ! spec=noes..._ph5, no=2303, id=661, vol=3.486746e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HN) 3.000 1.400 3.000 weight 1.000 ! spec=noes..._ph5, no=2309, id=667, vol=4.984161e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   19 and name   HN)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   30 and name HD12) 2.626 0.862 0.862 weight 1.000 ! spec=noes..._ph5, no=2315, id=673, vol=1.212743e+07
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   15 and name HG21) 2.481 0.881 3.519 weight 1.000 ! spec=noes..._ph5, no=2316, id=674, vol=2.082969e+07
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   30 and name HD12)
    or (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid   30 and name HD13)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   37 and name  HB2) 2.623 0.860 0.860 weight 1.000 ! spec=noes..._ph5, no=2350, id=708, vol=1.395385e+07
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   37 and name  HB1)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=noes..._ph5, no=2356, id=714, vol=6.989830e+06
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.812 0.988 0.988 weight 1.000 ! spec=noes..._ph5, no=2371, id=729, vol=6.539079e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   34 and name  HD2) 2.235 0.635 3.765 weight 1.000 ! spec=noes..._ph5, no=2377, id=735, vol=3.692521e+07
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HB2) 1.809 0.409 0.409 weight 1.000 ! spec=noes..._ph5, no=2389, id=747, vol=1.278960e+08
    or (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=noes..._ph5, no=2391, id=749, vol=3.376812e+07
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   21 and name   HA) 2.927 1.071 1.071 weight 1.000 ! spec=noes..._ph5, no=2392, id=750, vol=9.457544e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   18 and name  HA2) 2.353 0.753 3.647 weight 1.000 ! spec=noes..._ph5, no=2394, id=752, vol=2.098610e+07
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   18 and name  HA2)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.871 1.030 1.030 weight 1.000 ! spec=noes..._ph5, no=2397, id=755, vol=7.236952e+06
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   39 and name   HN)
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   28 and name  HG2) 3.046 1.160 1.160 weight 1.000 ! spec=noes..._ph5, no=2411, id=769, vol=4.796616e+06
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   45 and name HD21) (segid "   A" and resid   45 and name  HB1) 2.646 0.875 0.875 weight 1.000 ! spec=noes..._ph5, no=2427, id=785, vol=1.036455e+07
    or (segid "   A" and resid   26 and name HD21) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid    4 and name  HG1) 3.015 1.136 1.136 weight 1.000 ! spec=noes..._ph5, no=2453, id=811, vol=6.519805e+06
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   22 and name  HE2) (segid "   A" and resid   22 and name  HG2) 2.669 0.890 0.890 weight 1.000 ! spec=noes..._ph5, no=2491, id=849, vol=1.268775e+07
    or (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   46 and name  HD1)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE2) 2.224 0.619 0.619 weight 1.000 ! spec=noes..._ph5, no=2493, id=851, vol=3.736531e+07
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HE1)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE1)
assign (segid "   A" and resid    1 and name  HE2) (segid "   A" and resid    1 and name  HG1) 2.381 0.708 0.708 weight 1.000 ! spec=noes..._ph5, no=2496, id=854, vol=2.694060e+07
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HE2)
    or (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HE1)
    or (segid "   A" and resid    1 and name  HE1) (segid "   A" and resid    1 and name  HG2)
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   34 and name  HD2) 3.165 1.252 1.252 weight 1.000 ! spec=noes..._ph5, no=2500, id=858, vol=4.800065e+06
    or (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   22 and name  HE2) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   33 and name   HN) 2.791 0.974 0.974 weight 1.000 ! spec=noes..._ph5, no=2525, id=883, vol=9.071893e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   43 and name  HB1) 2.830 1.230 3.170 weight 1.000 ! spec=noes..._ph5, no=2538, id=896, vol=7.637084e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD1) 2.587 0.837 0.837 weight 1.000 ! spec=noes..._ph5, no=2542, id=900, vol=1.480016e+07
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD12) 2.337 0.737 3.663 weight 1.000 ! spec=noes..._ph5, no=2547, id=905, vol=2.602770e+07
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD11)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   30 and name HD22)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   34 and name  HB1) 2.923 1.323 3.077 weight 1.000 ! spec=noes..._ph5, no=2551, id=909, vol=7.687260e+06
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   28 and name  HG2)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.562 0.962 3.438 weight 1.000 ! spec=noes..._ph5, no=2557, id=915, vol=1.419546e+07
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   37 and name   HA) 2.664 1.064 3.336 weight 1.000 ! spec=noes..._ph5, no=2566, id=924, vol=1.019911e+07
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   16 and name  HD1) (segid "   A" and resid   16 and name  HG2) 2.768 0.958 0.958 weight 1.000 ! spec=noes..._ph5, no=2578, id=936, vol=1.143071e+07
    or (segid "   A" and resid   16 and name  HD1) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA) 2.268 0.643 0.643 weight 1.000 ! spec=noes..._ph5, no=2583, id=941, vol=3.380844e+07
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=noes..._ph5, no=2586, id=944, vol=1.346341e+07
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid    8 and name  HA2) (segid "   A" and resid   13 and name  HB1) 2.813 0.989 0.989 weight 1.000 ! spec=noes..._ph5, no=2601, id=959, vol=8.145241e+06
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   13 and name  HB1)
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   34 and name   HN) 2.884 1.040 1.040 weight 1.000 ! spec=noes..._ph5, no=2622, id=980, vol=6.769002e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name   HA) 2.474 0.765 0.765 weight 1.000 ! spec=noes..._ph5, no=2628, id=986, vol=1.698842e+07
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name   HA) 2.508 0.787 0.787 weight 1.000 ! spec=noes..._ph5, no=2630, id=988, vol=1.924302e+07
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name   HA) 2.612 1.012 3.388 weight 1.000 ! spec=noes..._ph5, no=2635, id=993, vol=1.406853e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   24 and name   HA) 2.297 0.697 3.703 weight 1.000 ! spec=noes..._ph5, no=2641, id=999, vol=3.105437e+07
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=noes..._ph5, no=2647, id=1005, vol=2.424963e+07
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HG1)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name   HN) 2.863 1.263 3.137 weight 1.000 ! spec=noes..._ph5, no=2654, id=1012, vol=8.256084e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name   HN)
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HN) 2.718 0.923 0.923 weight 1.000 ! spec=noes..._ph5, no=2667, id=1025, vol=9.686557e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HG2) 2.911 1.311 3.089 weight 1.000 ! spec=noes..._ph5, no=2673, id=1031, vol=7.831543e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   28 and name  HG2) 3.218 1.295 1.295 weight 1.000 ! spec=noes..._ph5, no=2686, id=1044, vol=3.410742e+06
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   28 and name  HG1)
assign (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   24 and name  HB2) 3.153 1.553 2.847 weight 1.000 ! spec=noes..._ph5, no=2687, id=1045, vol=3.638849e+06
    or (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HD2) 3.152 1.242 1.242 weight 1.000 ! spec=noes..._ph5, no=2720, id=1078, vol=3.925916e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   38 and name   HN) 2.670 0.891 0.891 weight 1.000 ! spec=noes..._ph5, no=2733, id=1091, vol=1.255617e+07
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   34 and name  HB1) 3.095 1.198 1.198 weight 1.000 ! spec=noes..._ph5, no=2740, id=1098, vol=5.491652e+06
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   28 and name  HG2)
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   41 and name  HB2) (segid "   A" and resid   35 and name  HB2)
assign (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HD2) 2.799 0.979 0.979 weight 1.000 ! spec=noes..._ph5, no=2743, id=1101, vol=9.771251e+06
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name  HD2)
assign (segid "   A" and resid   31 and name   HG) (segid "   A" and resid   43 and name  HB1) 3.077 1.477 2.923 weight 1.000 ! spec=noes..._ph5, no=2751, id=1109, vol=4.108159e+06
    or (segid "   A" and resid   31 and name   HG) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.232 1.632 2.768 weight 1.000 ! spec=noes..._ph5, no=2773, id=1131, vol=4.132815e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   21 and name HD21) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   21 and name HD21) (segid "   A" and resid   36 and name  HD1)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   27 and name HD22) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   33 and name  HA1) 3.288 1.688 2.712 weight 1.000 ! spec=noes..._ph5, no=2776, id=1134, vol=3.683685e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   33 and name  HA1)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.249 1.320 1.320 weight 1.000 ! spec=noes..._ph5, no=2781, id=1139, vol=3.933216e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name  HB1)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   36 and name   HN) 3.070 1.470 2.930 weight 1.000 ! spec=noes..._ph5, no=2783, id=1141, vol=3.415569e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   29 and name   HN) 3.186 1.269 1.269 weight 1.000 ! spec=noes..._ph5, no=2787, id=1145, vol=2.973745e+06
    or (segid "   A" and resid   45 and name HD22) (segid "   A" and resid   28 and name  HG2)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   26 and name HD22)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   26 and name HD22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2)
# Restraints file 3: hbond10.tbl
#helix 1


assign (segid "   A" and residue   24 and name HN  ) (segid "   A" and residue   20  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   24 and name N  )  (segid "   A" and residue   20  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   25 and name HN  ) (segid "   A" and residue   21  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   25 and name N  )  (segid "   A" and residue   21  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   26 and name HN  ) (segid "   A" and residue   22  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   26 and name N  )  (segid "   A" and residue   22  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   27 and name HN  ) (segid "   A" and residue   23  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   27 and name N  )  (segid "   A" and residue   23  and name O )  2.80  0.00  0.50



#beta1-beta3

assign (segid "   A" and residue   3 and name HN  ) (segid "   A" and residue   45  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   3 and name N  )  (segid "   A" and residue   45  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   45 and name HN  ) (segid "   A" and residue   3  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   45 and name N  )  (segid "   A" and residue   3  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   43 and name HN  ) (segid "   A" and residue   5  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   43 and name N  )  (segid "   A" and residue   5  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   5 and name HN  ) (segid "   A" and residue   43  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   5 and name N  )  (segid "   A" and residue   43  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   7 and name HN  ) (segid "   A" and residue   41  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   7 and name N  )  (segid "   A" and residue   41  and name O )  2.80  0.00  0.50



#beta3-beta2

assign (segid "   A" and residue   32 and name HN  ) (segid "   A" and residue   44  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   32 and name N  )  (segid "   A" and residue   44  and name O )  2.80  0.00  0.50

assign (segid "   A" and residue   34 and name HN  ) (segid "   A" and residue   42  and name O )  1.80  0.00  0.50
assign (segid "   A" and residue   34 and name N  )  (segid "   A" and residue   42  and name O )  2.80  0.00  0.50
# Restraints file 4: dihe.tbl
! T 2   Phi Psi
assign (resid  1 and name C ) (resid  2 and name N)
       (resid  2 and name CA) (resid  2 and name C) 1.0  -127.42    23.68  2
assign (resid  2 and name N) (resid  2 and name CA)
       (resid  2 and name C) (resid  3 and name  N) 1.0   151.83    20.00  2
! C 3   Phi Psi
assign (resid  2 and name C ) (resid  3 and name N)
       (resid  3 and name CA) (resid  3 and name C) 1.0   -69.17    20.00  2
assign (resid  3 and name N) (resid  3 and name CA)
       (resid  3 and name C) (resid  4 and name  N) 1.0   136.60    21.80  2
! E 4   Phi Psi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0  -133.78    25.44  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   157.86    32.03  2
! N 5   Phi Psi
assign (resid  4 and name C ) (resid  5 and name N)
       (resid  5 and name CA) (resid  5 and name C) 1.0  -144.07    26.09  2
assign (resid  5 and name N) (resid  5 and name CA)
       (resid  5 and name C) (resid  6 and name  N) 1.0   152.28    20.94  2
! L 6   Phi Psi
assign (resid  5 and name C ) (resid  6 and name N)
       (resid  6 and name CA) (resid  6 and name C) 1.0   -69.59    20.00  2
assign (resid  6 and name N) (resid  6 and name CA)
       (resid  6 and name C) (resid  7 and name  N) 1.0   132.47    20.00  2
! S 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0   -67.24    30.15  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   134.84    40.54  2
! F 10  Phi Psi
assign (resid  9 and name C ) (resid  10 and name N)
       (resid  10 and name CA) (resid  10 and name C) 1.0   -67.27    20.00  2
assign (resid  10 and name N) (resid  10 and name CA)
       (resid  10 and name C) (resid  11 and name  N) 1.0   129.78    20.00  2
! D 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -94.91    20.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0     0.26    20.00  2
! G 18  Phi Psi
assign (resid  17 and name C ) (resid  18 and name N)
       (resid  18 and name CA) (resid  18 and name C) 1.0    82.03    23.18  2
assign (resid  18 and name N) (resid  18 and name CA)
       (resid  18 and name C) (resid  19 and name  N) 1.0    13.68    20.55  2
! N 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0   -60.77    20.00  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  22 and name  N) 1.0   -44.85    20.00  2
! K 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0   -64.20    20.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   -42.64    20.00  2
! H 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0   -64.08    20.00  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   -44.56    20.00  2
! C 24  Phi Psi
assign (resid  23 and name C ) (resid  24 and name N)
       (resid  24 and name CA) (resid  24 and name C) 1.0   -65.02    20.00  2
assign (resid  24 and name N) (resid  24 and name CA)
       (resid  24 and name C) (resid  25 and name  N) 1.0   -38.96    20.00  2
! R 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -66.22    20.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   -37.81    22.09  2
! N 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0   -67.93    20.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   -39.56    20.00  2
! N 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0   -65.91    20.00  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0   -31.84    20.00  2
! E 28  Phi Psi
assign (resid  27 and name C ) (resid  28 and name N)
       (resid  28 and name CA) (resid  28 and name C) 1.0   -92.33    20.00  2
assign (resid  28 and name N) (resid  28 and name CA)
       (resid  28 and name C) (resid  29 and name  N) 1.0     1.38    20.00  2
! H 29  Phi Psi
assign (resid  28 and name C ) (resid  29 and name N)
       (resid  29 and name CA) (resid  29 and name C) 1.0    57.17    20.00  2
assign (resid  29 and name N) (resid  29 and name CA)
       (resid  29 and name C) (resid  30 and name  N) 1.0    41.06    20.00  2
! L 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0   -66.50    20.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0   -28.04    20.00  2
! S 32  Phi Psi
assign (resid  31 and name C ) (resid  32 and name N)
       (resid  32 and name CA) (resid  32 and name C) 1.0   -88.58    20.37  2
assign (resid  32 and name N) (resid  32 and name CA)
       (resid  32 and name C) (resid  33 and name  N) 1.0    -0.81    20.00  2
! G 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0    80.16    20.61  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0    16.95    20.75  2
! C 35  Phi Psi
assign (resid  34 and name C ) (resid  35 and name N)
       (resid  35 and name CA) (resid  35 and name C) 1.0   -70.75    20.00  2
assign (resid  35 and name N) (resid  35 and name CA)
       (resid  35 and name C) (resid  36 and name  N) 1.0   130.37    20.00  2
! R 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0  -127.14    47.02  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   156.79    23.25  2
! F 39  Phi Psi
assign (resid  38 and name C ) (resid  39 and name N)
       (resid  39 and name CA) (resid  39 and name C) 1.0  -110.97    28.66  2
assign (resid  39 and name N) (resid  39 and name CA)
       (resid  39 and name C) (resid  40 and name  N) 1.0   136.82    24.86  2
! R 40  Phi Psi
assign (resid  39 and name C ) (resid  40 and name N)
       (resid  40 and name CA) (resid  40 and name C) 1.0  -137.32    20.00  2
assign (resid  40 and name N) (resid  40 and name CA)
       (resid  40 and name C) (resid  41 and name  N) 1.0   149.14    20.00  2
! C 41  Phi Psi
assign (resid  40 and name C ) (resid  41 and name N)
       (resid  41 and name CA) (resid  41 and name C) 1.0   -93.40    28.80  2
assign (resid  41 and name N) (resid  41 and name CA)
       (resid  41 and name C) (resid  42 and name  N) 1.0   125.49    20.00  2
! W 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0  -103.89    28.18  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0   126.25    28.33  2
! C 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0  -106.13    21.10  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   119.66    29.76  2
! R 46  Phi Psi
assign (resid  45 and name C ) (resid  46 and name N)
       (resid  46 and name CA) (resid  46 and name C) 1.0  -115.55    29.36  2
assign (resid  46 and name N) (resid  46 and name CA)
       (resid  46 and name C) (resid  47 and name  N) 1.0   142.62    24.30  2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  12.211   7.557   6.180
    2    H2   LYS   1           HT2      LYS   1  13.660   6.690   6.160
    3    H3   LYS   1           HT3      LYS   1  12.550   6.448   7.412
    4    HA   LYS   1           HA       LYS   1  12.494   4.637   5.829
    5    HB2  LYS   1           HB2      LYS   1  10.068   4.674   5.380
    6    HB3  LYS   1           HB1      LYS   1  10.442   5.182   7.019
    7    HG2  LYS   1           HG2      LYS   1  10.263   7.550   6.216
    8    HG3  LYS   1           HG1      LYS   1   9.637   6.907   4.698
    9    HD2  LYS   1           HD2      LYS   1   7.796   5.843   5.888
   10    HD3  LYS   1           HD1      LYS   1   8.434   6.428   7.427
   11    HE2  LYS   1           HE2      LYS   1   6.715   7.929   6.866
   12    HE3  LYS   1           HE1      LYS   1   8.208   8.766   6.448
   13    HZ1  LYS   1           HZ1      LYS   1   6.323   7.419   4.603
   14    HZ2  LYS   1           HZ2      LYS   1   7.853   7.974   4.130
   15    HZ3  LYS   1           HZ3      LYS   1   6.688   9.071   4.677
   16    H    THR   2           HN       THR   2  11.076   4.235   3.648
   17    HA   THR   2           HA       THR   2  12.379   5.928   1.645
   18    HB   THR   2           HB       THR   2  12.007   4.145   0.035
   19    HG1  THR   2           HG1      THR   2  10.151   3.193   0.828
   20   HG21  THR   2          HG21      THR   2  13.492   2.437   1.048
   21   HG22  THR   2          HG22      THR   2  13.296   3.239   2.606
   22   HG23  THR   2          HG23      THR   2  14.077   4.085   1.269
   23    H    CYS   3           HN       CYS   3  10.969   5.746  -0.510
   24    HA   CYS   3           HA       CYS   3   8.976   7.633  -0.280
   25    HB2  CYS   3           HB2      CYS   3   9.053   5.502  -2.421
   26    HB3  CYS   3           HB1      CYS   3   8.389   7.128  -2.552
   27    H    GLU   4           HN       GLU   4   7.105   7.522   0.733
   28    HA   GLU   4           HA       GLU   4   5.560   5.039   0.578
   29    HB2  GLU   4           HB2      GLU   4   6.601   4.960   2.732
   30    HB3  GLU   4           HB1      GLU   4   6.195   6.642   3.050
   31    HG2  GLU   4           HG2      GLU   4   3.746   5.892   2.862
   32    HG3  GLU   4           HG1      GLU   4   4.379   4.247   3.031
   33    H    ASN   5           HN       ASN   5   3.506   5.335   0.112
   34    HA   ASN   5           HA       ASN   5   2.279   7.905   0.796
   35    HB2  ASN   5           HB2      ASN   5   1.130   8.080  -1.257
   36    HB3  ASN   5           HB1      ASN   5   2.769   7.653  -1.706
   37   HD21  ASN   5          HD21      ASN   5  -0.514   6.572  -1.467
   38   HD22  ASN   5          HD22      ASN   5  -0.336   5.162  -2.457
   39    H    LEU   6           HN       LEU   6  -0.013   7.740   1.078
   40    HA   LEU   6           HA       LEU   6  -0.728   5.160   2.199
   41    HB2  LEU   6           HB2      LEU   6  -1.147   7.637   3.151
   42    HB3  LEU   6           HB1      LEU   6  -2.645   7.413   2.267
   43    HG   LEU   6           HG       LEU   6  -1.607   5.675   4.533
   44   HD11  LEU   6          HD11      LEU   6  -3.995   7.508   4.264
   45   HD12  LEU   6          HD12      LEU   6  -2.566   7.782   5.262
   46   HD13  LEU   6          HD13      LEU   6  -3.663   6.454   5.637
   47   HD21  LEU   6          HD21      LEU   6  -3.812   4.560   4.294
   48   HD22  LEU   6          HD22      LEU   6  -2.655   4.224   3.009
   49   HD23  LEU   6          HD23      LEU   6  -3.988   5.360   2.729
   50    H    SER   7           HN       SER   7  -1.791   3.745   1.043
   51    HA   SER   7           HA       SER   7  -3.070   4.525  -1.423
   52    HB2  SER   7           HB2      SER   7  -3.350   2.076  -1.730
   53    HB3  SER   7           HB1      SER   7  -1.673   2.530  -1.449
   54    HG   SER   7           HG       SER   7  -1.931   1.865   0.723
   55    H    GLY   8           HN       GLY   8  -5.127   4.998  -1.534
   56    HA2  GLY   8           HA2      GLY   8  -7.300   3.667  -0.721
   57    HA3  GLY   8           HA1      GLY   8  -6.858   4.535   0.742
   58    H    THR   9           HN       THR   9  -8.116   6.199   0.979
   59    HA   THR   9           HA       THR   9  -9.565   7.472  -1.042
   60    HB   THR   9           HB       THR   9 -10.353   7.591   1.206
   61    HG1  THR   9           HG1      THR   9 -11.007   9.432   0.239
   62   HG21  THR   9          HG21      THR   9  -7.793   9.045   1.901
   63   HG22  THR   9          HG22      THR   9  -8.242   7.417   2.408
   64   HG23  THR   9          HG23      THR   9  -9.160   8.805   2.990
   65    H    PHE  10           HN       PHE  10  -6.679   8.583   0.705
   66    HA   PHE  10           HA       PHE  10  -6.390  10.820  -1.113
   67    HB2  PHE  10           HB2      PHE  10  -6.225  11.007   1.415
   68    HB3  PHE  10           HB1      PHE  10  -4.712  10.122   1.297
   69    HD1  PHE  10           HD1      PHE  10  -6.247  12.981  -0.552
   70    HD2  PHE  10           HD2      PHE  10  -2.898  11.455   1.580
   71    HE1  PHE  10           HE1      PHE  10  -5.058  15.105  -0.915
   72    HE2  PHE  10           HE2      PHE  10  -1.707  13.573   1.218
   73    HZ   PHE  10           HZ       PHE  10  -2.782  15.400  -0.027
   74    H    LYS  11           HN       LYS  11  -4.618  11.128  -2.406
   75    HA   LYS  11           HA       LYS  11  -2.827  10.690  -3.694
   76    HB2  LYS  11           HB2      LYS  11  -0.783  10.190  -2.455
   77    HB3  LYS  11           HB1      LYS  11  -1.787  11.362  -1.619
   78    HG2  LYS  11           HG2      LYS  11  -2.652   9.277  -0.319
   79    HG3  LYS  11           HG1      LYS  11  -1.149   8.552  -0.888
   80    HD2  LYS  11           HD2      LYS  11  -1.309  11.165   0.599
   81    HD3  LYS  11           HD1      LYS  11  -1.008   9.611   1.370
   82    HE2  LYS  11           HE2      LYS  11   1.053   9.357   0.185
   83    HE3  LYS  11           HE1      LYS  11   0.697  10.736  -0.849
   84    HZ1  LYS  11           HZ1      LYS  11   0.948  12.204   0.994
   85    HZ2  LYS  11           HZ2      LYS  11   2.310  11.204   0.949
   86    HZ3  LYS  11           HZ3      LYS  11   1.092  10.923   2.086
   87    H    GLY  12           HN       GLY  12  -4.678   8.640  -4.078
   88    HA2  GLY  12           HA2      GLY  12  -4.291   7.002  -5.771
   89    HA3  GLY  12           HA1      GLY  12  -2.746   6.643  -5.025
   90    HA   PRO  13           HA       PRO  13  -6.152   3.918  -3.111
   91    HB2  PRO  13           HB2      PRO  13  -7.681   2.775  -4.969
   92    HB3  PRO  13           HB1      PRO  13  -8.023   4.406  -4.390
   93    HG2  PRO  13           HG2      PRO  13  -6.779   3.521  -6.945
   94    HG3  PRO  13           HG1      PRO  13  -7.842   4.903  -6.632
   95    HD2  PRO  13           HD2      PRO  13  -5.036   4.957  -6.844
   96    HD3  PRO  13           HD1      PRO  13  -6.076   6.261  -6.242
   97    H    CYS  14           HN       CYS  14  -6.776   1.424  -3.776
   98    HA   CYS  14           HA       CYS  14  -4.786   0.081  -5.326
   99    HB2  CYS  14           HB2      CYS  14  -3.484   0.526  -3.314
  100    HB3  CYS  14           HB1      CYS  14  -4.723  -0.233  -2.323
  101    H    ILE  15           HN       ILE  15  -6.461  -1.153  -2.414
  102    HA   ILE  15           HA       ILE  15  -8.196  -2.780  -4.134
  103    HB   ILE  15           HB       ILE  15  -7.644  -4.811  -2.819
  104   HG12  ILE  15          HG12      ILE  15  -5.507  -2.989  -1.706
  105   HG13  ILE  15          HG11      ILE  15  -6.753  -3.858  -0.821
  106   HG21  ILE  15          HG21      ILE  15  -5.348  -3.572  -4.333
  107   HG22  ILE  15          HG22      ILE  15  -6.678  -4.506  -5.019
  108   HG23  ILE  15          HG23      ILE  15  -5.513  -5.286  -3.949
  109   HD11  ILE  15          HD11      ILE  15  -5.690  -5.964  -1.327
  110   HD12  ILE  15          HD12      ILE  15  -4.547  -4.865  -0.556
  111   HD13  ILE  15          HD13      ILE  15  -4.471  -5.138  -2.297
  112    HA   PRO  16           HA       PRO  16 -10.969  -1.837  -0.834
  113    HB2  PRO  16           HB2      PRO  16 -13.163  -3.007  -1.780
  114    HB3  PRO  16           HB1      PRO  16 -12.403  -1.664  -2.641
  115    HG2  PRO  16           HG2      PRO  16 -12.346  -4.579  -3.249
  116    HG3  PRO  16           HG1      PRO  16 -12.355  -3.198  -4.357
  117    HD2  PRO  16           HD2      PRO  16 -10.099  -4.684  -3.538
  118    HD3  PRO  16           HD1      PRO  16 -10.091  -3.145  -4.417
  119    H    ASP  17           HN       ASP  17  -9.497  -4.730  -0.887
  120    HA   ASP  17           HA       ASP  17 -11.469  -6.238   0.627
  121    HB2  ASP  17           HB2      ASP  17  -8.682  -6.959  -0.276
  122    HB3  ASP  17           HB1      ASP  17  -9.753  -8.045   0.600
  123    H    GLY  18           HN       GLY  18  -8.690  -4.280   1.269
  124    HA2  GLY  18           HA2      GLY  18  -8.269  -3.356   3.395
  125    HA3  GLY  18           HA1      GLY  18  -9.194  -4.658   4.119
  126    H    ASN  19           HN       ASN  19  -7.354  -6.314   2.141
  127    HA   ASN  19           HA       ASN  19  -5.369  -6.926   4.135
  128    HB2  ASN  19           HB2      ASN  19  -4.661  -8.563   2.202
  129    HB3  ASN  19           HB1      ASN  19  -6.108  -8.877   3.144
  130   HD21  ASN  19          HD21      ASN  19  -5.870  -6.386   0.693
  131   HD22  ASN  19          HD22      ASN  19  -6.981  -7.110  -0.417
  132    H    CYS  20           HN       CYS  20  -4.410  -4.759   4.012
  133    HA   CYS  20           HA       CYS  20  -3.318  -3.828   1.617
  134    HB2  CYS  20           HB2      CYS  20  -2.407  -2.021   2.944
  135    HB3  CYS  20           HB1      CYS  20  -4.081  -2.320   3.341
  136    H    ASN  21           HN       ASN  21  -1.650  -4.914   4.575
  137    HA   ASN  21           HA       ASN  21   0.884  -4.504   3.501
  138    HB2  ASN  21           HB2      ASN  21   1.604  -6.192   5.339
  139    HB3  ASN  21           HB1      ASN  21   0.921  -4.640   5.801
  140   HD21  ASN  21          HD21      ASN  21  -1.228  -4.554   6.505
  141   HD22  ASN  21          HD22      ASN  21  -1.985  -5.949   7.209
  142    H    LYS  22           HN       LYS  22  -1.020  -7.523   3.611
  143    HA   LYS  22           HA       LYS  22   1.013  -9.109   2.505
  144    HB2  LYS  22           HB2      LYS  22  -0.604 -10.772   2.084
  145    HB3  LYS  22           HB1      LYS  22  -1.113  -9.955   3.549
  146    HG2  LYS  22           HG2      LYS  22  -2.753  -8.681   2.269
  147    HG3  LYS  22           HG1      LYS  22  -2.222  -9.480   0.798
  148    HD2  LYS  22           HD2      LYS  22  -4.199 -10.571   1.517
  149    HD3  LYS  22           HD1      LYS  22  -2.853 -11.658   1.840
  150    HE2  LYS  22           HE2      LYS  22  -3.907  -9.825   3.966
  151    HE3  LYS  22           HE1      LYS  22  -4.695 -11.361   3.630
  152    HZ1  LYS  22           HZ1      LYS  22  -1.885 -10.973   4.502
  153    HZ2  LYS  22           HZ2      LYS  22  -2.548 -12.459   4.054
  154    HZ3  LYS  22           HZ3      LYS  22  -3.145 -11.640   5.406
  155    H    HIS  23           HN       HIS  23  -1.185  -6.843   0.986
  156    HA   HIS  23           HA       HIS  23  -0.964  -7.946  -1.619
  157    HB2  HIS  23           HB2      HIS  23  -2.732  -6.300  -0.863
  158    HB3  HIS  23           HB1      HIS  23  -1.505  -5.047  -1.004
  159    HD1  HIS  23           HD1      HIS  23  -1.060  -4.122  -3.329
  160    HD2  HIS  23           HD2      HIS  23  -3.435  -7.535  -3.362
  161    HE1  HIS  23           HE1      HIS  23  -1.879  -4.352  -5.691
  162    HE2  HIS  23           HE2      HIS  23  -3.207  -6.494  -5.715
  163    H    CYS  24           HN       CYS  24   0.504  -4.906  -0.355
  164    HA   CYS  24           HA       CYS  24   2.217  -4.639  -2.590
  165    HB2  CYS  24           HB2      CYS  24   2.257  -3.414   0.151
  166    HB3  CYS  24           HB1      CYS  24   3.614  -3.195  -0.933
  167    H    ARG  25           HN       ARG  25   2.492  -6.581   0.274
  168    HA   ARG  25           HA       ARG  25   5.375  -6.802   0.021
  169    HB2  ARG  25           HB2      ARG  25   3.520  -8.224   1.920
  170    HB3  ARG  25           HB1      ARG  25   5.271  -8.189   2.005
  171    HG2  ARG  25           HG2      ARG  25   3.482  -5.804   2.231
  172    HG3  ARG  25           HG1      ARG  25   4.232  -6.652   3.588
  173    HD2  ARG  25           HD2      ARG  25   5.903  -5.647   1.346
  174    HD3  ARG  25           HD1      ARG  25   5.366  -4.519   2.583
  175    HE   ARG  25           HE       ARG  25   7.457  -6.427   2.787
  176   HH11  ARG  25          HH11      ARG  25   4.873  -5.049   4.724
  177   HH12  ARG  25          HH12      ARG  25   5.712  -5.272   6.221
  178   HH21  ARG  25          HH21      ARG  25   8.561  -6.689   4.751
  179   HH22  ARG  25          HH22      ARG  25   7.816  -6.191   6.237
  180    H    ASN  26           HN       ASN  26   2.550  -8.678  -0.834
  181    HA   ASN  26           HA       ASN  26   4.149 -11.084  -1.173
  182    HB2  ASN  26           HB2      ASN  26   1.244 -10.481  -1.667
  183    HB3  ASN  26           HB1      ASN  26   1.979 -11.968  -2.239
  184   HD21  ASN  26          HD21      ASN  26   2.918 -10.425   0.732
  185   HD22  ASN  26          HD22      ASN  26   2.250 -11.609   1.800
  186    H    ASN  27           HN       ASN  27   2.467  -8.794  -3.300
  187    HA   ASN  27           HA       ASN  27   3.431 -10.241  -5.616
  188    HB2  ASN  27           HB2      ASN  27   1.903  -9.065  -6.880
  189    HB3  ASN  27           HB1      ASN  27   1.111  -9.078  -5.316
  190   HD21  ASN  27          HD21      ASN  27   1.237  -7.129  -4.005
  191   HD22  ASN  27          HD22      ASN  27   1.401  -5.597  -4.815
  192    H    GLU  28           HN       GLU  28   4.110  -7.212  -3.965
  193    HA   GLU  28           HA       GLU  28   6.086  -6.566  -6.055
  194    HB2  GLU  28           HB2      GLU  28   4.087  -5.013  -5.519
  195    HB3  GLU  28           HB1      GLU  28   4.969  -4.616  -4.054
  196    HG2  GLU  28           HG2      GLU  28   5.418  -2.944  -5.670
  197    HG3  GLU  28           HG1      GLU  28   6.879  -3.907  -5.461
  198    H    HIS  29           HN       HIS  29   5.604  -7.285  -2.740
  199    HA   HIS  29           HA       HIS  29   6.930  -7.511  -0.941
  200    HB2  HIS  29           HB2      HIS  29   8.164  -8.961  -2.640
  201    HB3  HIS  29           HB1      HIS  29   9.285  -7.617  -2.825
  202    HD1  HIS  29           HD1      HIS  29  10.450  -6.844  -0.463
  203    HD2  HIS  29           HD2      HIS  29   8.803 -10.655  -0.618
  204    HE1  HIS  29           HE1      HIS  29  11.430  -8.085   1.488
  205    HE2  HIS  29           HE2      HIS  29  10.563 -10.437   1.263
  206    H    LEU  30           HN       LEU  30   6.239  -5.072  -0.928
  207    HA   LEU  30           HA       LEU  30   8.468  -3.254  -1.164
  208    HB2  LEU  30           HB2      LEU  30   5.756  -2.734   0.038
  209    HB3  LEU  30           HB1      LEU  30   6.956  -1.534  -0.397
  210    HG   LEU  30           HG       LEU  30   5.259  -3.214  -2.224
  211   HD11  LEU  30          HD11      LEU  30   5.647  -0.264  -1.806
  212   HD12  LEU  30          HD12      LEU  30   4.194  -1.220  -1.516
  213   HD13  LEU  30          HD13      LEU  30   4.758  -0.952  -3.164
  214   HD21  LEU  30          HD21      LEU  30   7.474  -3.330  -3.149
  215   HD22  LEU  30          HD22      LEU  30   7.695  -1.595  -2.940
  216   HD23  LEU  30          HD23      LEU  30   6.513  -2.197  -4.099
  217    H    LEU  31           HN       LEU  31   8.142  -1.557   0.988
  218    HA   LEU  31           HA       LEU  31   9.471  -3.149   3.034
  219    HB2  LEU  31           HB2      LEU  31   9.120  -0.167   3.009
  220    HB3  LEU  31           HB1      LEU  31  10.327  -1.104   3.870
  221    HG   LEU  31           HG       LEU  31  10.150  -0.590   0.920
  222   HD11  LEU  31          HD11      LEU  31  12.412   0.316   1.256
  223   HD12  LEU  31          HD12      LEU  31  12.266  -0.004   2.984
  224   HD13  LEU  31          HD13      LEU  31  11.198   1.168   2.211
  225   HD21  LEU  31          HD21      LEU  31  10.707  -2.906   1.149
  226   HD22  LEU  31          HD22      LEU  31  11.933  -2.538   2.367
  227   HD23  LEU  31          HD23      LEU  31  12.160  -2.011   0.698
  228    H    SER  32           HN       SER  32   6.845  -0.711   2.928
  229    HA   SER  32           HA       SER  32   5.927  -1.735   5.537
  230    HB2  SER  32           HB2      SER  32   5.287   0.694   3.893
  231    HB3  SER  32           HB1      SER  32   4.240   0.187   5.204
  232    HG   SER  32           HG       SER  32   6.382   1.658   5.385
  233    H    GLY  33           HN       GLY  33   4.930  -1.311   2.268
  234    HA2  GLY  33           HA2      GLY  33   3.631  -2.556   0.910
  235    HA3  GLY  33           HA1      GLY  33   3.751  -3.832   2.095
  236    H    ARG  34           HN       ARG  34   2.283  -0.812   3.014
  237    HA   ARG  34           HA       ARG  34  -0.137  -2.192   3.732
  238    HB2  ARG  34           HB2      ARG  34   1.290   0.263   4.256
  239    HB3  ARG  34           HB1      ARG  34  -0.420   0.591   4.105
  240    HG2  ARG  34           HG2      ARG  34  -0.835  -1.065   5.894
  241    HG3  ARG  34           HG1      ARG  34   0.906  -1.330   6.021
  242    HD2  ARG  34           HD2      ARG  34   1.267   0.961   6.659
  243    HD3  ARG  34           HD1      ARG  34  -0.435   1.369   6.373
  244    HE   ARG  34           HE       ARG  34  -0.702  -0.496   8.229
  245   HH11  ARG  34          HH11      ARG  34   1.671   2.085   8.086
  246   HH12  ARG  34          HH12      ARG  34   1.775   2.253   9.808
  247   HH21  ARG  34          HH21      ARG  34  -0.557  -0.276  10.494
  248   HH22  ARG  34          HH22      ARG  34   0.497   0.922  11.175
  249    H    CYS  35           HN       CYS  35  -0.970  -2.774   1.497
  250    HA   CYS  35           HA       CYS  35  -1.876  -0.499  -0.098
  251    HB2  CYS  35           HB2      CYS  35  -0.621  -2.747  -0.864
  252    HB3  CYS  35           HB1      CYS  35  -2.294  -3.204  -1.155
  253    H    ARG  36           HN       ARG  36  -3.979   0.314   0.417
  254    HA   ARG  36           HA       ARG  36  -6.012  -1.595  -0.453
  255    HB2  ARG  36           HB2      ARG  36  -7.356  -0.015   1.455
  256    HB3  ARG  36           HB1      ARG  36  -7.175  -1.750   1.435
  257    HG2  ARG  36           HG2      ARG  36  -4.791  -0.913   2.449
  258    HG3  ARG  36           HG1      ARG  36  -5.910   0.269   3.108
  259    HD2  ARG  36           HD2      ARG  36  -7.350  -1.666   3.843
  260    HD3  ARG  36           HD1      ARG  36  -6.031  -2.735   3.399
  261    HE   ARG  36           HE       ARG  36  -4.740  -1.240   5.073
  262   HH11  ARG  36          HH11      ARG  36  -8.083  -2.249   5.412
  263   HH12  ARG  36          HH12      ARG  36  -8.043  -2.213   7.138
  264   HH21  ARG  36          HH21      ARG  36  -4.700  -1.211   7.351
  265   HH22  ARG  36          HH22      ARG  36  -6.131  -1.625   8.239
  266    H    ASP  37           HN       ASP  37  -8.238  -0.361  -0.580
  267    HA   ASP  37           HA       ASP  37  -7.822   2.256  -1.879
  268    HB2  ASP  37           HB2      ASP  37  -8.249   0.865  -3.714
  269    HB3  ASP  37           HB1      ASP  37  -9.369  -0.143  -2.811
  270    H    ASP  38           HN       ASP  38 -10.661   0.263  -1.100
  271    HA   ASP  38           HA       ASP  38 -12.251   2.308  -0.048
  272    HB2  ASP  38           HB2      ASP  38 -13.235   0.196  -0.678
  273    HB3  ASP  38           HB1      ASP  38 -12.229  -0.676   0.472
  274    H    PHE  39           HN       PHE  39  -9.809   0.287   1.327
  275    HA   PHE  39           HA       PHE  39 -10.050   1.583   3.941
  276    HB2  PHE  39           HB2      PHE  39  -8.619  -0.868   2.948
  277    HB3  PHE  39           HB1      PHE  39  -8.452  -0.262   4.591
  278    HD1  PHE  39           HD1      PHE  39 -10.794   0.107   5.810
  279    HD2  PHE  39           HD2      PHE  39 -10.130  -2.520   2.514
  280    HE1  PHE  39           HE1      PHE  39 -12.795  -1.177   6.438
  281    HE2  PHE  39           HE2      PHE  39 -12.139  -3.801   3.145
  282    HZ   PHE  39           HZ       PHE  39 -13.468  -3.132   5.106
  283    H    ARG  40           HN       ARG  40  -7.831   2.167   4.946
  284    HA   ARG  40           HA       ARG  40  -6.074   3.144   2.789
  285    HB2  ARG  40           HB2      ARG  40  -5.623   5.132   4.265
  286    HB3  ARG  40           HB1      ARG  40  -7.259   5.037   3.636
  287    HG2  ARG  40           HG2      ARG  40  -7.952   4.027   5.819
  288    HG3  ARG  40           HG1      ARG  40  -6.333   4.384   6.424
  289    HD2  ARG  40           HD2      ARG  40  -8.232   6.439   5.299
  290    HD3  ARG  40           HD1      ARG  40  -8.043   6.096   7.017
  291    HE   ARG  40           HE       ARG  40  -5.550   6.687   6.418
  292   HH11  ARG  40          HH11      ARG  40  -8.482   8.274   5.360
  293   HH12  ARG  40          HH12      ARG  40  -7.735   9.833   5.202
  294   HH21  ARG  40          HH21      ARG  40  -4.568   8.746   6.236
  295   HH22  ARG  40          HH22      ARG  40  -5.507  10.099   5.695
  296    H    CYS  41           HN       CYS  41  -4.168   2.270   2.834
  297    HA   CYS  41           HA       CYS  41  -2.755   1.919   5.381
  298    HB2  CYS  41           HB2      CYS  41  -3.617  -0.121   3.540
  299    HB3  CYS  41           HB1      CYS  41  -1.882  -0.165   3.704
  300    H    TRP  42           HN       TRP  42  -0.450   2.407   5.257
  301    HA   TRP  42           HA       TRP  42   0.424   3.915   2.922
  302    HB2  TRP  42           HB2      TRP  42   1.876   3.320   5.502
  303    HB3  TRP  42           HB1      TRP  42   2.385   4.472   4.283
  304    HD1  TRP  42           HD1      TRP  42  -0.133   4.031   7.128
  305    HE1  TRP  42           HE1      TRP  42  -1.048   6.355   7.771
  306    HE3  TRP  42           HE3      TRP  42   1.921   6.788   3.349
  307    HZ2  TRP  42           HZ2      TRP  42  -0.917   9.002   6.788
  308    HZ3  TRP  42           HZ3      TRP  42   1.473   9.192   3.268
  309    HH2  TRP  42           HH2      TRP  42   0.089  10.283   4.952
  310    H    CYS  43           HN       CYS  43   1.273   2.620   1.165
  311    HA   CYS  43           HA       CYS  43   3.126   0.476   1.881
  312    HB2  CYS  43           HB2      CYS  43   2.268   1.449  -0.849
  313    HB3  CYS  43           HB1      CYS  43   3.498   0.231  -0.609
  314    H    THR  44           HN       THR  44   5.271   0.582   1.836
  315    HA   THR  44           HA       THR  44   6.548   3.118   1.055
  316    HB   THR  44           HB       THR  44   7.564   1.264   3.213
  317    HG1  THR  44           HG1      THR  44   5.808   3.481   3.397
  318   HG21  THR  44          HG21      THR  44   8.293   4.028   2.289
  319   HG22  THR  44          HG22      THR  44   9.325   2.607   2.471
  320   HG23  THR  44          HG23      THR  44   8.714   3.442   3.900
  321    H    ASN  45           HN       ASN  45   8.149   2.963  -0.390
  322    HA   ASN  45           HA       ASN  45   9.946   0.717  -0.504
  323    HB2  ASN  45           HB2      ASN  45   7.935  -0.028  -1.855
  324    HB3  ASN  45           HB1      ASN  45   8.280   1.289  -2.967
  325   HD21  ASN  45          HD21      ASN  45   9.415  -1.758  -1.696
  326   HD22  ASN  45          HD22      ASN  45  10.514  -2.112  -2.980
  327    H    ARG  46           HN       ARG  46  11.328   1.163  -2.719
  328    HA   ARG  46           HA       ARG  46  12.205   3.926  -2.333
  329    HB2  ARG  46           HB2      ARG  46  13.654   1.759  -3.856
  330    HB3  ARG  46           HB1      ARG  46  14.315   3.260  -3.233
  331    HG2  ARG  46           HG2      ARG  46  15.125   1.767  -1.699
  332    HG3  ARG  46           HG1      ARG  46  13.621   2.256  -0.918
  333    HD2  ARG  46           HD2      ARG  46  12.506   0.277  -1.701
  334    HD3  ARG  46           HD1      ARG  46  13.911  -0.190  -2.652
  335    HE   ARG  46           HE       ARG  46  14.344   0.085   0.208
  336   HH11  ARG  46          HH11      ARG  46  13.663  -2.066  -2.477
  337   HH12  ARG  46          HH12      ARG  46  14.148  -3.491  -1.619
  338   HH21  ARG  46          HH21      ARG  46  14.977  -1.796   1.337
  339   HH22  ARG  46          HH22      ARG  46  14.891  -3.342   0.553
  340    H    CYS  47           HN       CYS  47  11.584   5.394  -3.792
  341    HA   CYS  47           HA       CYS  47  10.476   4.419  -6.305
  342    HB2  CYS  47           HB2      CYS  47   9.421   6.637  -6.487
  343    HB3  CYS  47           HB1      CYS  47   9.009   5.837  -4.978
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  13.881   7.054   5.264
    2    H2   LYS   1           HT2      LYS   1  12.844   6.917   6.589
    3    H3   LYS   1           HT3      LYS   1  12.489   8.005   5.345
    4    HA   LYS   1           HA       LYS   1  12.543   5.059   5.123
    5    HB2  LYS   1           HB2      LYS   1  10.133   5.229   4.787
    6    HB3  LYS   1           HB1      LYS   1  10.579   5.935   6.335
    7    HG2  LYS   1           HG2      LYS   1  10.365   8.150   5.456
    8    HG3  LYS   1           HG1      LYS   1  10.119   7.528   3.827
    9    HD2  LYS   1           HD2      LYS   1   7.994   8.190   4.754
   10    HD3  LYS   1           HD1      LYS   1   8.036   6.433   4.607
   11    HE2  LYS   1           HE2      LYS   1   8.524   6.226   6.976
   12    HE3  LYS   1           HE1      LYS   1   8.582   7.980   7.138
   13    HZ1  LYS   1           HZ1      LYS   1   6.466   7.103   7.877
   14    HZ2  LYS   1           HZ2      LYS   1   6.194   6.385   6.369
   15    HZ3  LYS   1           HZ3      LYS   1   6.250   8.072   6.507
   16    H    THR   2           HN       THR   2  11.140   4.556   3.055
   17    HA   THR   2           HA       THR   2  12.287   6.088   0.834
   18    HB   THR   2           HB       THR   2  11.735   4.168  -0.576
   19    HG1  THR   2           HG1      THR   2  10.191   2.985   0.226
   20   HG21  THR   2          HG21      THR   2  13.941   4.275   0.488
   21   HG22  THR   2          HG22      THR   2  13.392   2.608   0.316
   22   HG23  THR   2          HG23      THR   2  13.308   3.406   1.886
   23    H    CYS   3           HN       CYS   3  10.582   5.678  -1.182
   24    HA   CYS   3           HA       CYS   3   8.694   7.693  -0.649
   25    HB2  CYS   3           HB2      CYS   3   7.775   7.228  -2.881
   26    HB3  CYS   3           HB1      CYS   3   9.531   7.322  -2.911
   27    H    GLU   4           HN       GLU   4   6.926   7.576   0.502
   28    HA   GLU   4           HA       GLU   4   5.433   5.045   0.602
   29    HB2  GLU   4           HB2      GLU   4   6.767   5.245   2.640
   30    HB3  GLU   4           HB1      GLU   4   6.149   6.862   2.910
   31    HG2  GLU   4           HG2      GLU   4   3.855   5.838   3.097
   32    HG3  GLU   4           HG1      GLU   4   4.651   4.258   3.113
   33    H    ASN   5           HN       ASN   5   3.238   5.242   0.628
   34    HA   ASN   5           HA       ASN   5   2.107   7.808   1.348
   35    HB2  ASN   5           HB2      ASN   5   0.825   8.159  -0.594
   36    HB3  ASN   5           HB1      ASN   5   2.444   7.816  -1.165
   37   HD21  ASN   5          HD21      ASN   5  -0.796   6.622  -0.828
   38   HD22  ASN   5          HD22      ASN   5  -0.668   5.356  -2.009
   39    H    LEU   6           HN       LEU   6  -0.037   7.735   1.868
   40    HA   LEU   6           HA       LEU   6  -1.031   5.133   2.690
   41    HB2  LEU   6           HB2      LEU   6  -1.174   7.658   3.782
   42    HB3  LEU   6           HB1      LEU   6  -2.755   7.485   3.049
   43    HG   LEU   6           HG       LEU   6  -1.526   5.709   5.182
   44   HD11  LEU   6          HD11      LEU   6  -2.438   7.821   5.995
   45   HD12  LEU   6          HD12      LEU   6  -3.461   6.472   6.487
   46   HD13  LEU   6          HD13      LEU   6  -3.955   7.514   5.153
   47   HD21  LEU   6          HD21      LEU   6  -2.673   4.168   3.948
   48   HD22  LEU   6          HD22      LEU   6  -3.902   5.334   3.428
   49   HD23  LEU   6          HD23      LEU   6  -3.910   4.726   5.084
   50    H    SER   7           HN       SER   7  -2.466   4.028   1.476
   51    HA   SER   7           HA       SER   7  -3.240   5.263  -1.045
   52    HB2  SER   7           HB2      SER   7  -3.352   2.354  -0.242
   53    HB3  SER   7           HB1      SER   7  -3.433   3.021  -1.869
   54    HG   SER   7           HG       SER   7  -1.208   3.721  -0.382
   55    H    GLY   8           HN       GLY   8  -5.311   5.124  -1.889
   56    HA2  GLY   8           HA2      GLY   8  -7.565   4.083  -1.657
   57    HA3  GLY   8           HA1      GLY   8  -7.454   4.497   0.053
   58    H    THR   9           HN       THR   9  -8.685   6.203   0.526
   59    HA   THR   9           HA       THR   9  -9.418   8.197  -1.355
   60    HB   THR   9           HB       THR   9 -10.673   7.694   0.779
   61    HG1  THR   9           HG1      THR   9 -11.463   9.553   0.163
   62   HG21  THR   9          HG21      THR   9  -8.405   9.259   2.022
   63   HG22  THR   9          HG22      THR   9  -8.819   7.575   2.339
   64   HG23  THR   9          HG23      THR   9  -9.921   8.860   2.832
   65    H    PHE  10           HN       PHE  10  -6.737   7.644   0.702
   66    HA   PHE  10           HA       PHE  10  -5.589  10.288   0.368
   67    HB2  PHE  10           HB2      PHE  10  -4.760   7.802   1.847
   68    HB3  PHE  10           HB1      PHE  10  -3.641   9.136   1.605
   69    HD1  PHE  10           HD1      PHE  10  -4.176  11.349   2.524
   70    HD2  PHE  10           HD2      PHE  10  -6.410   7.881   3.514
   71    HE1  PHE  10           HE1      PHE  10  -5.074  12.505   4.511
   72    HE2  PHE  10           HE2      PHE  10  -7.319   9.018   5.503
   73    HZ   PHE  10           HZ       PHE  10  -6.649  11.337   6.002
   74    H    LYS  11           HN       LYS  11  -4.100  10.789  -1.114
   75    HA   LYS  11           HA       LYS  11  -2.444  10.649  -2.654
   76    HB2  LYS  11           HB2      LYS  11  -1.705   8.440  -0.748
   77    HB3  LYS  11           HB1      LYS  11  -0.659   8.930  -2.065
   78    HG2  LYS  11           HG2      LYS  11   0.166  10.057  -0.204
   79    HG3  LYS  11           HG1      LYS  11  -0.761  11.273  -1.067
   80    HD2  LYS  11           HD2      LYS  11  -2.607  10.952   0.484
   81    HD3  LYS  11           HD1      LYS  11  -1.703   9.701   1.343
   82    HE2  LYS  11           HE2      LYS  11   0.021  11.342   1.901
   83    HE3  LYS  11           HE1      LYS  11  -0.872  12.591   1.036
   84    HZ1  LYS  11           HZ1      LYS  11  -1.223  12.677   3.439
   85    HZ2  LYS  11           HZ2      LYS  11  -1.875  11.121   3.413
   86    HZ3  LYS  11           HZ3      LYS  11  -2.665  12.380   2.610
   87    H    GLY  12           HN       GLY  12  -4.831   9.198  -3.431
   88    HA2  GLY  12           HA2      GLY  12  -5.274   8.090  -5.454
   89    HA3  GLY  12           HA1      GLY  12  -3.624   7.491  -5.471
   90    HA   PRO  13           HA       PRO  13  -6.835   4.495  -3.440
   91    HB2  PRO  13           HB2      PRO  13  -8.025   3.288  -5.516
   92    HB3  PRO  13           HB1      PRO  13  -8.633   4.811  -4.858
   93    HG2  PRO  13           HG2      PRO  13  -6.852   4.373  -7.238
   94    HG3  PRO  13           HG1      PRO  13  -8.318   5.368  -7.121
   95    HD2  PRO  13           HD2      PRO  13  -5.850   6.427  -6.930
   96    HD3  PRO  13           HD1      PRO  13  -7.216   7.060  -5.985
   97    H    CYS  14           HN       CYS  14  -6.991   2.010  -3.921
   98    HA   CYS  14           HA       CYS  14  -4.830   0.947  -5.494
   99    HB2  CYS  14           HB2      CYS  14  -3.611   1.500  -3.464
  100    HB3  CYS  14           HB1      CYS  14  -4.781   0.616  -2.491
  101    H    ILE  15           HN       ILE  15  -6.245  -0.639  -2.644
  102    HA   ILE  15           HA       ILE  15  -7.871  -2.313  -4.408
  103    HB   ILE  15           HB       ILE  15  -7.003  -4.374  -3.384
  104   HG12  ILE  15          HG12      ILE  15  -5.211  -2.404  -1.988
  105   HG13  ILE  15          HG11      ILE  15  -6.068  -3.798  -1.341
  106   HG21  ILE  15          HG21      ILE  15  -4.904  -4.466  -4.647
  107   HG22  ILE  15          HG22      ILE  15  -4.930  -2.708  -4.804
  108   HG23  ILE  15          HG23      ILE  15  -6.190  -3.680  -5.563
  109   HD11  ILE  15          HD11      ILE  15  -3.688  -4.187  -1.357
  110   HD12  ILE  15          HD12      ILE  15  -3.633  -3.899  -3.095
  111   HD13  ILE  15          HD13      ILE  15  -4.504  -5.294  -2.461
  112    HA   PRO  16           HA       PRO  16 -10.412  -1.879  -0.818
  113    HB2  PRO  16           HB2      PRO  16 -12.681  -2.837  -1.909
  114    HB3  PRO  16           HB1      PRO  16 -11.982  -1.284  -2.375
  115    HG2  PRO  16           HG2      PRO  16 -12.109  -3.797  -3.887
  116    HG3  PRO  16           HG1      PRO  16 -11.849  -2.149  -4.471
  117    HD2  PRO  16           HD2      PRO  16  -9.893  -4.216  -3.964
  118    HD3  PRO  16           HD1      PRO  16  -9.642  -2.606  -4.659
  119    H    ASP  17           HN       ASP  17  -8.842  -4.501  -1.228
  120    HA   ASP  17           HA       ASP  17 -10.734  -6.468  -0.218
  121    HB2  ASP  17           HB2      ASP  17  -7.765  -6.814  -0.658
  122    HB3  ASP  17           HB1      ASP  17  -8.972  -8.083  -0.484
  123    H    GLY  18           HN       GLY  18  -8.345  -4.295   1.018
  124    HA2  GLY  18           HA2      GLY  18  -7.970  -3.799   3.276
  125    HA3  GLY  18           HA1      GLY  18  -8.885  -5.231   3.717
  126    H    ASN  19           HN       ASN  19  -6.881  -6.203   1.446
  127    HA   ASN  19           HA       ASN  19  -5.045  -7.535   3.230
  128    HB2  ASN  19           HB2      ASN  19  -4.347  -8.735   1.255
  129    HB3  ASN  19           HB1      ASN  19  -6.103  -8.677   1.334
  130   HD21  ASN  19          HD21      ASN  19  -6.018  -5.804   0.437
  131   HD22  ASN  19          HD22      ASN  19  -5.778  -5.887  -1.262
  132    H    CYS  20           HN       CYS  20  -4.637  -4.665   3.104
  133    HA   CYS  20           HA       CYS  20  -2.970  -3.755   1.168
  134    HB2  CYS  20           HB2      CYS  20  -2.201  -2.030   2.727
  135    HB3  CYS  20           HB1      CYS  20  -3.948  -2.207   2.746
  136    H    ASN  21           HN       ASN  21  -1.937  -5.197   4.244
  137    HA   ASN  21           HA       ASN  21   0.799  -4.829   3.792
  138    HB2  ASN  21           HB2      ASN  21  -0.717  -6.719   5.551
  139    HB3  ASN  21           HB1      ASN  21   1.038  -6.771   5.462
  140   HD21  ASN  21          HD21      ASN  21   1.219  -3.888   5.021
  141   HD22  ASN  21          HD22      ASN  21   0.881  -3.173   6.556
  142    H    LYS  22           HN       LYS  22  -1.131  -7.744   3.369
  143    HA   LYS  22           HA       LYS  22   1.058  -9.245   2.436
  144    HB2  LYS  22           HB2      LYS  22  -1.111 -10.624   1.504
  145    HB3  LYS  22           HB1      LYS  22  -0.448 -10.766   3.125
  146    HG2  LYS  22           HG2      LYS  22  -2.068  -9.113   3.931
  147    HG3  LYS  22           HG1      LYS  22  -2.718  -8.962   2.306
  148    HD2  LYS  22           HD2      LYS  22  -2.619 -11.590   3.731
  149    HD3  LYS  22           HD1      LYS  22  -3.952 -10.459   3.948
  150    HE2  LYS  22           HE2      LYS  22  -4.511 -10.547   1.649
  151    HE3  LYS  22           HE1      LYS  22  -3.047 -11.459   1.261
  152    HZ1  LYS  22           HZ1      LYS  22  -5.320 -12.426   2.911
  153    HZ2  LYS  22           HZ2      LYS  22  -3.909 -13.301   2.587
  154    HZ3  LYS  22           HZ3      LYS  22  -4.966 -12.906   1.329
  155    H    HIS  23           HN       HIS  23  -1.348  -7.292   0.717
  156    HA   HIS  23           HA       HIS  23  -0.793  -8.424  -1.819
  157    HB2  HIS  23           HB2      HIS  23  -2.757  -6.884  -1.180
  158    HB3  HIS  23           HB1      HIS  23  -1.636  -5.559  -1.488
  159    HD1  HIS  23           HD1      HIS  23  -1.076  -5.029  -3.938
  160    HD2  HIS  23           HD2      HIS  23  -3.490  -8.381  -3.472
  161    HE1  HIS  23           HE1      HIS  23  -1.886  -5.608  -6.245
  162    HE2  HIS  23           HE2      HIS  23  -3.459  -7.547  -5.918
  163    H    CYS  24           HN       CYS  24   0.452  -5.437  -0.284
  164    HA   CYS  24           HA       CYS  24   2.286  -4.832  -2.347
  165    HB2  CYS  24           HB2      CYS  24   2.038  -4.078   0.535
  166    HB3  CYS  24           HB1      CYS  24   3.565  -3.784  -0.269
  167    H    ARG  25           HN       ARG  25   2.599  -6.712   0.655
  168    HA   ARG  25           HA       ARG  25   5.463  -6.773   0.395
  169    HB2  ARG  25           HB2      ARG  25   3.640  -8.091   2.405
  170    HB3  ARG  25           HB1      ARG  25   5.384  -7.990   2.530
  171    HG2  ARG  25           HG2      ARG  25   3.530  -5.640   2.427
  172    HG3  ARG  25           HG1      ARG  25   4.241  -6.309   3.898
  173    HD2  ARG  25           HD2      ARG  25   6.132  -5.688   1.740
  174    HD3  ARG  25           HD1      ARG  25   5.347  -4.284   2.455
  175    HE   ARG  25           HE       ARG  25   6.368  -4.782   4.516
  176   HH11  ARG  25          HH11      ARG  25   7.260  -7.136   2.079
  177   HH12  ARG  25          HH12      ARG  25   8.662  -7.676   2.939
  178   HH21  ARG  25          HH21      ARG  25   8.209  -5.497   5.641
  179   HH22  ARG  25          HH22      ARG  25   9.210  -6.740   4.956
  180    H    ASN  26           HN       ASN  26   2.845  -9.089  -0.002
  181    HA   ASN  26           HA       ASN  26   4.656 -11.300  -0.343
  182    HB2  ASN  26           HB2      ASN  26   1.692 -11.038  -0.811
  183    HB3  ASN  26           HB1      ASN  26   2.576 -12.523  -1.072
  184   HD21  ASN  26          HD21      ASN  26   4.313 -11.921   1.280
  185   HD22  ASN  26          HD22      ASN  26   3.334 -12.293   2.657
  186    H    ASN  27           HN       ASN  27   2.768  -9.194  -2.451
  187    HA   ASN  27           HA       ASN  27   3.400 -10.835  -4.745
  188    HB2  ASN  27           HB2      ASN  27   1.855  -8.246  -4.565
  189    HB3  ASN  27           HB1      ASN  27   1.975  -9.269  -5.993
  190   HD21  ASN  27          HD21      ASN  27   0.688  -8.974  -2.779
  191   HD22  ASN  27          HD22      ASN  27  -0.497 -10.223  -2.922
  192    H    GLU  28           HN       GLU  28   4.096  -7.503  -3.679
  193    HA   GLU  28           HA       GLU  28   6.041  -7.361  -5.877
  194    HB2  GLU  28           HB2      GLU  28   4.073  -5.755  -5.843
  195    HB3  GLU  28           HB1      GLU  28   4.824  -4.990  -4.442
  196    HG2  GLU  28           HG2      GLU  28   6.751  -4.404  -5.744
  197    HG3  GLU  28           HG1      GLU  28   6.140  -5.298  -7.135
  198    H    HIS  29           HN       HIS  29   5.634  -7.207  -2.470
  199    HA   HIS  29           HA       HIS  29   7.095  -7.533  -0.801
  200    HB2  HIS  29           HB2      HIS  29   8.332  -8.892  -2.623
  201    HB3  HIS  29           HB1      HIS  29   9.421  -7.511  -2.708
  202    HD1  HIS  29           HD1      HIS  29  10.639  -6.897  -0.357
  203    HD2  HIS  29           HD2      HIS  29   8.892 -10.659  -0.629
  204    HE1  HIS  29           HE1      HIS  29  11.610  -8.231   1.534
  205    HE2  HIS  29           HE2      HIS  29  10.412 -10.442   1.452
  206    H    LEU  30           HN       LEU  30   6.265  -4.973  -1.343
  207    HA   LEU  30           HA       LEU  30   8.381  -3.141  -1.369
  208    HB2  LEU  30           HB2      LEU  30   5.538  -2.845  -0.438
  209    HB3  LEU  30           HB1      LEU  30   6.688  -1.527  -0.460
  210    HG   LEU  30           HG       LEU  30   6.982  -1.900  -2.888
  211   HD11  LEU  30          HD11      LEU  30   6.357  -4.160  -2.934
  212   HD12  LEU  30          HD12      LEU  30   5.344  -3.225  -4.043
  213   HD13  LEU  30          HD13      LEU  30   4.707  -3.749  -2.479
  214   HD21  LEU  30          HD21      LEU  30   5.340  -0.217  -1.936
  215   HD22  LEU  30          HD22      LEU  30   4.090  -1.422  -2.247
  216   HD23  LEU  30          HD23      LEU  30   5.031  -0.767  -3.585
  217    H    LEU  31           HN       LEU  31   7.923  -1.431   0.724
  218    HA   LEU  31           HA       LEU  31   9.513  -2.913   2.677
  219    HB2  LEU  31           HB2      LEU  31   9.041   0.050   2.581
  220    HB3  LEU  31           HB1      LEU  31  10.308  -0.798   3.446
  221    HG   LEU  31           HG       LEU  31  10.021  -0.394   0.490
  222   HD11  LEU  31          HD11      LEU  31  12.276   0.518   0.710
  223   HD12  LEU  31          HD12      LEU  31  12.233   0.199   2.444
  224   HD13  LEU  31          HD13      LEU  31  11.122   1.372   1.733
  225   HD21  LEU  31          HD21      LEU  31  12.017  -1.835   0.234
  226   HD22  LEU  31          HD22      LEU  31  10.569  -2.705   0.744
  227   HD23  LEU  31          HD23      LEU  31  11.832  -2.327   1.918
  228    H    SER  32           HN       SER  32   6.809  -0.559   2.843
  229    HA   SER  32           HA       SER  32   6.205  -1.689   5.504
  230    HB2  SER  32           HB2      SER  32   5.760   0.907   4.208
  231    HB3  SER  32           HB1      SER  32   4.382   0.312   5.126
  232    HG   SER  32           HG       SER  32   7.048   0.611   6.083
  233    H    GLY  33           HN       GLY  33   4.906  -1.229   2.340
  234    HA2  GLY  33           HA2      GLY  33   3.468  -2.499   1.153
  235    HA3  GLY  33           HA1      GLY  33   3.735  -3.759   2.327
  236    H    ARG  34           HN       ARG  34   2.117  -0.621   2.981
  237    HA   ARG  34           HA       ARG  34  -0.254  -2.283   3.453
  238    HB2  ARG  34           HB2      ARG  34  -0.156   0.638   4.197
  239    HB3  ARG  34           HB1      ARG  34  -1.065  -0.682   4.929
  240    HG2  ARG  34           HG2      ARG  34   0.878  -1.516   6.036
  241    HG3  ARG  34           HG1      ARG  34   1.901  -0.328   5.217
  242    HD2  ARG  34           HD2      ARG  34   0.395   1.465   6.246
  243    HD3  ARG  34           HD1      ARG  34  -0.261   0.171   7.256
  244    HE   ARG  34           HE       ARG  34   2.561   0.198   7.431
  245   HH11  ARG  34          HH11      ARG  34  -0.284   1.927   8.513
  246   HH12  ARG  34          HH12      ARG  34   0.499   2.590   9.911
  247   HH21  ARG  34          HH21      ARG  34   3.592   1.069   9.269
  248   HH22  ARG  34          HH22      ARG  34   2.698   2.096  10.346
  249    H    CYS  35           HN       CYS  35  -0.735  -2.464   1.070
  250    HA   CYS  35           HA       CYS  35  -1.762   0.033  -0.057
  251    HB2  CYS  35           HB2      CYS  35  -0.280  -1.785  -1.303
  252    HB3  CYS  35           HB1      CYS  35  -1.868  -2.453  -1.664
  253    H    ARG  36           HN       ARG  36  -3.856   0.592   0.137
  254    HA   ARG  36           HA       ARG  36  -5.900  -1.431  -0.332
  255    HB2  ARG  36           HB2      ARG  36  -5.447  -0.123   2.246
  256    HB3  ARG  36           HB1      ARG  36  -7.106  -0.058   1.698
  257    HG2  ARG  36           HG2      ARG  36  -7.424  -2.275   1.982
  258    HG3  ARG  36           HG1      ARG  36  -5.767  -2.684   1.542
  259    HD2  ARG  36           HD2      ARG  36  -5.408  -3.033   3.698
  260    HD3  ARG  36           HD1      ARG  36  -5.473  -1.288   3.906
  261    HE   ARG  36           HE       ARG  36  -8.074  -2.342   4.065
  262   HH11  ARG  36          HH11      ARG  36  -5.077  -2.251   5.879
  263   HH12  ARG  36          HH12      ARG  36  -5.849  -2.523   7.407
  264   HH21  ARG  36          HH21      ARG  36  -9.086  -2.710   6.096
  265   HH22  ARG  36          HH22      ARG  36  -8.115  -2.775   7.529
  266    H    ASP  37           HN       ASP  37  -8.130  -0.356  -0.416
  267    HA   ASP  37           HA       ASP  37  -7.933   2.301  -1.670
  268    HB2  ASP  37           HB2      ASP  37  -8.278   0.813  -3.475
  269    HB3  ASP  37           HB1      ASP  37  -9.457  -0.133  -2.574
  270    H    ASP  38           HN       ASP  38 -10.634   0.143  -0.833
  271    HA   ASP  38           HA       ASP  38 -12.328   2.178   0.115
  272    HB2  ASP  38           HB2      ASP  38 -13.158  -0.037  -0.562
  273    HB3  ASP  38           HB1      ASP  38 -12.315  -0.777   0.798
  274    H    PHE  39           HN       PHE  39  -9.948   0.183   1.595
  275    HA   PHE  39           HA       PHE  39 -10.221   1.602   4.149
  276    HB2  PHE  39           HB2      PHE  39  -8.430  -0.762   3.703
  277    HB3  PHE  39           HB1      PHE  39  -9.199  -0.226   5.191
  278    HD1  PHE  39           HD1      PHE  39 -11.634  -0.633   5.524
  279    HD2  PHE  39           HD2      PHE  39  -9.463  -2.341   2.272
  280    HE1  PHE  39           HE1      PHE  39 -13.421  -2.292   5.201
  281    HE2  PHE  39           HE2      PHE  39 -11.256  -3.992   1.950
  282    HZ   PHE  39           HZ       PHE  39 -13.232  -3.971   3.413
  283    H    ARG  40           HN       ARG  40  -7.868   2.025   5.107
  284    HA   ARG  40           HA       ARG  40  -6.282   2.973   2.834
  285    HB2  ARG  40           HB2      ARG  40  -5.823   5.074   4.090
  286    HB3  ARG  40           HB1      ARG  40  -7.506   4.887   3.626
  287    HG2  ARG  40           HG2      ARG  40  -7.967   4.059   5.938
  288    HG3  ARG  40           HG1      ARG  40  -6.308   4.495   6.357
  289    HD2  ARG  40           HD2      ARG  40  -6.774   6.813   5.675
  290    HD3  ARG  40           HD1      ARG  40  -8.441   6.362   5.330
  291    HE   ARG  40           HE       ARG  40  -7.221   6.288   8.016
  292   HH11  ARG  40          HH11      ARG  40 -10.002   6.702   5.927
  293   HH12  ARG  40          HH12      ARG  40 -11.057   7.178   7.217
  294   HH21  ARG  40          HH21      ARG  40  -8.617   6.924   9.712
  295   HH22  ARG  40          HH22      ARG  40 -10.270   7.308   9.360
  296    H    CYS  41           HN       CYS  41  -4.309   2.383   2.853
  297    HA   CYS  41           HA       CYS  41  -2.976   1.771   5.380
  298    HB2  CYS  41           HB2      CYS  41  -3.716  -0.006   3.199
  299    HB3  CYS  41           HB1      CYS  41  -2.022  -0.132   3.626
  300    H    TRP  42           HN       TRP  42  -0.726   2.288   5.470
  301    HA   TRP  42           HA       TRP  42   0.376   3.975   3.357
  302    HB2  TRP  42           HB2      TRP  42   1.501   3.083   6.018
  303    HB3  TRP  42           HB1      TRP  42   2.374   4.107   4.899
  304    HD1  TRP  42           HD1      TRP  42  -0.286   4.193   7.575
  305    HE1  TRP  42           HE1      TRP  42  -0.895   6.644   8.075
  306    HE3  TRP  42           HE3      TRP  42   2.171   6.450   3.706
  307    HZ2  TRP  42           HZ2      TRP  42  -0.396   9.195   6.965
  308    HZ3  TRP  42           HZ3      TRP  42   2.058   8.883   3.493
  309    HH2  TRP  42           HH2      TRP  42   0.795  10.235   5.082
  310    H    CYS  43           HN       CYS  43   1.206   2.777   1.533
  311    HA   CYS  43           HA       CYS  43   3.027   0.578   2.265
  312    HB2  CYS  43           HB2      CYS  43   1.204   0.103   0.564
  313    HB3  CYS  43           HB1      CYS  43   2.096   1.138  -0.553
  314    H    THR  44           HN       THR  44   5.076   0.958   2.348
  315    HA   THR  44           HA       THR  44   6.261   3.264   0.998
  316    HB   THR  44           HB       THR  44   7.710   1.422   2.881
  317    HG1  THR  44           HG1      THR  44   6.519   3.687   3.975
  318   HG21  THR  44          HG21      THR  44   8.571   3.888   3.462
  319   HG22  THR  44          HG22      THR  44   8.119   4.128   1.770
  320   HG23  THR  44          HG23      THR  44   9.285   2.883   2.206
  321    H    ASN  45           HN       ASN  45   7.687   3.051  -0.657
  322    HA   ASN  45           HA       ASN  45   8.788   0.393  -1.251
  323    HB2  ASN  45           HB2      ASN  45   6.686   0.901  -2.607
  324    HB3  ASN  45           HB1      ASN  45   7.617   2.165  -3.395
  325   HD21  ASN  45          HD21      ASN  45   8.777  -0.988  -2.342
  326   HD22  ASN  45          HD22      ASN  45   9.140  -1.581  -3.925
  327    H    ARG  46           HN       ARG  46  10.437   0.622  -3.101
  328    HA   ARG  46           HA       ARG  46  12.295   2.688  -2.279
  329    HB2  ARG  46           HB2      ARG  46  12.619   0.395  -4.223
  330    HB3  ARG  46           HB1      ARG  46  13.910   1.436  -3.643
  331    HG2  ARG  46           HG2      ARG  46  14.142   0.278  -1.757
  332    HG3  ARG  46           HG1      ARG  46  12.400   0.204  -1.487
  333    HD2  ARG  46           HD2      ARG  46  12.187  -1.649  -2.996
  334    HD3  ARG  46           HD1      ARG  46  13.887  -1.524  -3.460
  335    HE   ARG  46           HE       ARG  46  14.083  -1.936  -0.827
  336   HH11  ARG  46          HH11      ARG  46  12.180  -3.572  -3.266
  337   HH12  ARG  46          HH12      ARG  46  12.211  -5.102  -2.447
  338   HH21  ARG  46          HH21      ARG  46  14.129  -3.949   0.249
  339   HH22  ARG  46          HH22      ARG  46  13.317  -5.313  -0.451
  340    H    CYS  47           HN       CYS  47  12.444   4.544  -3.294
  341    HA   CYS  47           HA       CYS  47  11.979   4.637  -6.192
  342    HB2  CYS  47           HB2      CYS  47  11.100   6.638  -4.102
  343    HB3  CYS  47           HB1      CYS  47  11.161   7.007  -5.821
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1  12.005   7.518   7.565
    2    H2   LYS   1           HT2      LYS   1  11.786   8.439   6.164
    3    H3   LYS   1           HT3      LYS   1  13.231   7.603   6.403
    4    HA   LYS   1           HA       LYS   1  12.124   5.503   6.231
    5    HB2  LYS   1           HB2      LYS   1   9.744   5.396   5.625
    6    HB3  LYS   1           HB1      LYS   1   9.963   6.181   7.185
    7    HG2  LYS   1           HG2      LYS   1   9.749   8.370   6.082
    8    HG3  LYS   1           HG1      LYS   1   9.452   7.547   4.553
    9    HD2  LYS   1           HD2      LYS   1   7.456   6.488   5.542
   10    HD3  LYS   1           HD1      LYS   1   7.752   7.375   7.041
   11    HE2  LYS   1           HE2      LYS   1   7.580   9.491   5.755
   12    HE3  LYS   1           HE1      LYS   1   7.146   8.553   4.331
   13    HZ1  LYS   1           HZ1      LYS   1   5.204   7.712   5.572
   14    HZ2  LYS   1           HZ2      LYS   1   5.176   9.394   5.375
   15    HZ3  LYS   1           HZ3      LYS   1   5.611   8.730   6.864
   16    H    THR   2           HN       THR   2  10.770   4.851   4.059
   17    HA   THR   2           HA       THR   2  12.199   6.172   1.869
   18    HB   THR   2           HB       THR   2  11.238   4.024   0.709
   19    HG1  THR   2           HG1      THR   2  11.728   2.723   3.066
   20   HG21  THR   2          HG21      THR   2  13.611   4.558   0.942
   21   HG22  THR   2          HG22      THR   2  13.316   2.854   1.279
   22   HG23  THR   2          HG23      THR   2  13.578   3.983   2.609
   23    H    CYS   3           HN       CYS   3  10.738   5.870  -0.288
   24    HA   CYS   3           HA       CYS   3   8.780   7.862   0.079
   25    HB2  CYS   3           HB2      CYS   3   8.159   7.515  -2.254
   26    HB3  CYS   3           HB1      CYS   3   9.905   7.540  -2.073
   27    H    GLU   4           HN       GLU   4   6.909   7.681   1.022
   28    HA   GLU   4           HA       GLU   4   5.541   5.082   0.945
   29    HB2  GLU   4           HB2      GLU   4   6.608   5.520   3.132
   30    HB3  GLU   4           HB1      GLU   4   5.697   7.019   3.257
   31    HG2  GLU   4           HG2      GLU   4   3.603   5.685   3.178
   32    HG3  GLU   4           HG1      GLU   4   4.586   4.219   3.243
   33    H    ASN   5           HN       ASN   5   3.403   5.089   0.599
   34    HA   ASN   5           HA       ASN   5   1.976   7.617   0.838
   35    HB2  ASN   5           HB2      ASN   5   0.850   7.378  -1.273
   36    HB3  ASN   5           HB1      ASN   5   2.581   7.377  -1.543
   37   HD21  ASN   5          HD21      ASN   5  -0.306   5.439  -1.486
   38   HD22  ASN   5          HD22      ASN   5   0.322   4.119  -2.412
   39    H    LEU   6           HN       LEU   6  -0.144   7.426   1.290
   40    HA   LEU   6           HA       LEU   6  -0.955   4.841   2.333
   41    HB2  LEU   6           HB2      LEU   6  -1.223   7.319   3.365
   42    HB3  LEU   6           HB1      LEU   6  -2.754   7.178   2.523
   43    HG   LEU   6           HG       LEU   6  -1.707   5.394   4.749
   44   HD11  LEU   6          HD11      LEU   6  -2.700   7.548   5.411
   45   HD12  LEU   6          HD12      LEU   6  -3.700   6.183   5.903
   46   HD13  LEU   6          HD13      LEU   6  -4.160   7.154   4.506
   47   HD21  LEU   6          HD21      LEU   6  -3.929   5.018   2.780
   48   HD22  LEU   6          HD22      LEU   6  -4.091   4.420   4.431
   49   HD23  LEU   6          HD23      LEU   6  -2.757   3.847   3.417
   50    H    SER   7           HN       SER   7  -1.998   3.529   1.034
   51    HA   SER   7           HA       SER   7  -2.754   4.381  -1.576
   52    HB2  SER   7           HB2      SER   7  -3.462   1.716  -0.371
   53    HB3  SER   7           HB1      SER   7  -3.031   2.097  -2.037
   54    HG   SER   7           HG       SER   7  -0.946   2.103  -1.532
   55    H    GLY   8           HN       GLY   8  -4.854   4.097  -2.557
   56    HA2  GLY   8           HA2      GLY   8  -7.154   3.317  -2.285
   57    HA3  GLY   8           HA1      GLY   8  -7.087   3.913  -0.634
   58    H    THR   9           HN       THR   9  -7.444   6.038  -0.220
   59    HA   THR   9           HA       THR   9  -8.776   7.460  -2.360
   60    HB   THR   9           HB       THR   9  -9.994   7.419  -0.317
   61    HG1  THR   9           HG1      THR   9  -9.926   9.457  -1.491
   62   HG21  THR   9          HG21      THR   9  -8.193   6.975   1.247
   63   HG22  THR   9          HG22      THR   9  -9.133   8.368   1.781
   64   HG23  THR   9          HG23      THR   9  -7.564   8.607   1.016
   65    H    PHE  10           HN       PHE  10  -5.991   7.993  -0.182
   66    HA   PHE  10           HA       PHE  10  -5.309  10.408  -1.657
   67    HB2  PHE  10           HB2      PHE  10  -3.485   9.232   0.382
   68    HB3  PHE  10           HB1      PHE  10  -3.836  10.919   0.044
   69    HD1  PHE  10           HD1      PHE  10  -6.067  11.843   0.830
   70    HD2  PHE  10           HD2      PHE  10  -4.479   8.120   2.119
   71    HE1  PHE  10           HE1      PHE  10  -7.534  11.912   2.806
   72    HE2  PHE  10           HE2      PHE  10  -5.947   8.174   4.099
   73    HZ   PHE  10           HZ       PHE  10  -7.473  10.076   4.442
   74    H    LYS  11           HN       LYS  11  -3.500  10.522  -3.023
   75    HA   LYS  11           HA       LYS  11  -1.460  10.001  -3.885
   76    HB2  LYS  11           HB2      LYS  11  -1.336   8.070  -1.563
   77    HB3  LYS  11           HB1      LYS  11   0.030   8.708  -2.459
   78    HG2  LYS  11           HG2      LYS  11  -0.020  10.710  -1.399
   79    HG3  LYS  11           HG1      LYS  11  -1.775  10.690  -1.217
   80    HD2  LYS  11           HD2      LYS  11  -1.599   9.086   0.598
   81    HD3  LYS  11           HD1      LYS  11   0.135   8.990   0.378
   82    HE2  LYS  11           HE2      LYS  11  -1.455  11.385   1.276
   83    HE3  LYS  11           HE1      LYS  11  -0.370  10.411   2.263
   84    HZ1  LYS  11           HZ1      LYS  11   0.432  12.099  -0.046
   85    HZ2  LYS  11           HZ2      LYS  11   1.480  11.154   0.886
   86    HZ3  LYS  11           HZ3      LYS  11   0.677  12.468   1.585
   87    H    GLY  12           HN       GLY  12  -3.879   8.365  -4.639
   88    HA2  GLY  12           HA2      GLY  12  -3.875   6.904  -6.543
   89    HA3  GLY  12           HA1      GLY  12  -2.381   6.195  -5.954
   90    HA   PRO  13           HA       PRO  13  -6.327   4.132  -4.119
   91    HB2  PRO  13           HB2      PRO  13  -7.634   2.882  -6.082
   92    HB3  PRO  13           HB1      PRO  13  -7.909   4.597  -5.737
   93    HG2  PRO  13           HG2      PRO  13  -6.194   3.357  -7.864
   94    HG3  PRO  13           HG1      PRO  13  -7.338   4.706  -8.004
   95    HD2  PRO  13           HD2      PRO  13  -4.637   5.032  -7.733
   96    HD3  PRO  13           HD1      PRO  13  -5.826   6.223  -7.172
   97    H    CYS  14           HN       CYS  14  -7.061   1.711  -4.407
   98    HA   CYS  14           HA       CYS  14  -5.216  -0.140  -5.509
   99    HB2  CYS  14           HB2      CYS  14  -3.903   0.707  -3.554
  100    HB3  CYS  14           HB1      CYS  14  -5.188   0.163  -2.487
  101    H    ILE  15           HN       ILE  15  -5.888  -2.213  -3.478
  102    HA   ILE  15           HA       ILE  15  -8.568  -2.709  -4.496
  103    HB   ILE  15           HB       ILE  15  -8.248  -4.991  -3.685
  104   HG12  ILE  15          HG12      ILE  15  -5.595  -3.895  -2.676
  105   HG13  ILE  15          HG11      ILE  15  -6.906  -4.597  -1.724
  106   HG21  ILE  15          HG21      ILE  15  -5.931  -3.927  -5.296
  107   HG22  ILE  15          HG22      ILE  15  -7.510  -4.389  -5.929
  108   HG23  ILE  15          HG23      ILE  15  -6.449  -5.612  -5.230
  109   HD11  ILE  15          HD11      ILE  15  -5.066  -6.162  -1.990
  110   HD12  ILE  15          HD12      ILE  15  -5.255  -6.091  -3.740
  111   HD13  ILE  15          HD13      ILE  15  -6.543  -6.764  -2.740
  112    HA   PRO  16           HA       PRO  16 -10.318  -1.589  -0.559
  113    HB2  PRO  16           HB2      PRO  16 -12.922  -2.398  -1.415
  114    HB3  PRO  16           HB1      PRO  16 -12.247  -0.769  -1.391
  115    HG2  PRO  16           HG2      PRO  16 -12.888  -2.185  -3.678
  116    HG3  PRO  16           HG1      PRO  16 -11.763  -0.819  -3.612
  117    HD2  PRO  16           HD2      PRO  16 -11.190  -3.751  -3.672
  118    HD3  PRO  16           HD1      PRO  16 -10.322  -2.413  -4.452
  119    H    ASP  17           HN       ASP  17  -9.095  -3.969  -0.201
  120    HA   ASP  17           HA       ASP  17 -11.196  -5.747   0.857
  121    HB2  ASP  17           HB2      ASP  17  -8.391  -6.443  -0.018
  122    HB3  ASP  17           HB1      ASP  17  -9.524  -7.574   0.712
  123    H    GLY  18           HN       GLY  18  -8.524  -3.786   1.741
  124    HA2  GLY  18           HA2      GLY  18  -7.990  -3.161   3.948
  125    HA3  GLY  18           HA1      GLY  18  -8.890  -4.545   4.533
  126    H    ASN  19           HN       ASN  19  -7.165  -5.775   2.208
  127    HA   ASN  19           HA       ASN  19  -5.285  -7.056   3.961
  128    HB2  ASN  19           HB2      ASN  19  -4.860  -8.518   2.043
  129    HB3  ASN  19           HB1      ASN  19  -6.582  -8.348   2.337
  130   HD21  ASN  19          HD21      ASN  19  -6.386  -5.569   1.078
  131   HD22  ASN  19          HD22      ASN  19  -6.424  -5.891  -0.610
  132    H    CYS  20           HN       CYS  20  -4.552  -4.514   3.870
  133    HA   CYS  20           HA       CYS  20  -3.127  -3.542   1.769
  134    HB2  CYS  20           HB2      CYS  20  -2.071  -2.015   3.370
  135    HB3  CYS  20           HB1      CYS  20  -3.795  -2.131   3.571
  136    H    ASN  21           HN       ASN  21  -1.554  -4.991   4.652
  137    HA   ASN  21           HA       ASN  21   1.042  -4.757   3.667
  138    HB2  ASN  21           HB2      ASN  21  -0.121  -6.773   5.596
  139    HB3  ASN  21           HB1      ASN  21   1.595  -6.650   5.264
  140   HD21  ASN  21          HD21      ASN  21   1.616  -3.789   5.070
  141   HD22  ASN  21          HD22      ASN  21   1.399  -3.199   6.673
  142    H    LYS  22           HN       LYS  22  -0.968  -7.694   3.623
  143    HA   LYS  22           HA       LYS  22   0.968  -9.230   2.361
  144    HB2  LYS  22           HB2      LYS  22  -1.197 -10.591   1.617
  145    HB3  LYS  22           HB1      LYS  22  -0.585 -10.614   3.260
  146    HG2  LYS  22           HG2      LYS  22  -2.237  -8.924   3.899
  147    HG3  LYS  22           HG1      LYS  22  -2.861  -8.897   2.242
  148    HD2  LYS  22           HD2      LYS  22  -3.614 -11.141   2.411
  149    HD3  LYS  22           HD1      LYS  22  -2.708 -11.415   3.897
  150    HE2  LYS  22           HE2      LYS  22  -5.076  -9.572   3.579
  151    HE3  LYS  22           HE1      LYS  22  -5.096 -11.160   4.337
  152    HZ1  LYS  22           HZ1      LYS  22  -3.567 -10.337   6.013
  153    HZ2  LYS  22           HZ2      LYS  22  -4.975  -9.404   5.980
  154    HZ3  LYS  22           HZ3      LYS  22  -3.553  -8.811   5.288
  155    H    HIS  23           HN       HIS  23  -1.492  -7.152   0.887
  156    HA   HIS  23           HA       HIS  23  -1.182  -8.202  -1.722
  157    HB2  HIS  23           HB2      HIS  23  -3.072  -6.711  -1.005
  158    HB3  HIS  23           HB1      HIS  23  -1.947  -5.357  -1.048
  159    HD1  HIS  23           HD1      HIS  23  -2.147  -4.073  -3.169
  160    HD2  HIS  23           HD2      HIS  23  -2.919  -8.115  -3.734
  161    HE1  HIS  23           HE1      HIS  23  -2.740  -4.311  -5.595
  162    HE2  HIS  23           HE2      HIS  23  -3.127  -6.777  -5.938
  163    H    CYS  24           HN       CYS  24   0.211  -5.258  -0.273
  164    HA   CYS  24           HA       CYS  24   1.793  -4.602  -2.532
  165    HB2  CYS  24           HB2      CYS  24   1.268  -3.440  -0.003
  166    HB3  CYS  24           HB1      CYS  24   2.978  -3.712  -0.065
  167    H    ARG  25           HN       ARG  25   2.333  -6.669   0.246
  168    HA   ARG  25           HA       ARG  25   5.204  -6.661  -0.132
  169    HB2  ARG  25           HB2      ARG  25   3.489  -8.131   1.860
  170    HB3  ARG  25           HB1      ARG  25   5.240  -8.051   1.893
  171    HG2  ARG  25           HG2      ARG  25   3.435  -5.670   2.039
  172    HG3  ARG  25           HG1      ARG  25   4.138  -6.480   3.444
  173    HD2  ARG  25           HD2      ARG  25   5.874  -5.551   1.202
  174    HD3  ARG  25           HD1      ARG  25   5.344  -4.396   2.433
  175    HE   ARG  25           HE       ARG  25   7.342  -6.424   2.693
  176   HH11  ARG  25          HH11      ARG  25   4.895  -4.676   4.502
  177   HH12  ARG  25          HH12      ARG  25   5.681  -4.908   6.026
  178   HH21  ARG  25          HH21      ARG  25   8.361  -6.736   4.721
  179   HH22  ARG  25          HH22      ARG  25   7.636  -6.068   6.150
  180    H    ASN  26           HN       ASN  26   2.543  -8.938  -0.595
  181    HA   ASN  26           HA       ASN  26   4.435 -11.024  -1.298
  182    HB2  ASN  26           HB2      ASN  26   1.440 -10.963  -1.130
  183    HB3  ASN  26           HB1      ASN  26   2.298 -12.324  -1.837
  184   HD21  ASN  26          HD21      ASN  26   1.615 -10.565   1.023
  185   HD22  ASN  26          HD22      ASN  26   2.211 -11.727   2.155
  186    H    ASN  27           HN       ASN  27   2.319  -8.788  -2.916
  187    HA   ASN  27           HA       ASN  27   2.635 -10.126  -5.460
  188    HB2  ASN  27           HB2      ASN  27   1.188  -7.577  -4.735
  189    HB3  ASN  27           HB1      ASN  27   1.211  -8.286  -6.344
  190   HD21  ASN  27          HD21      ASN  27   0.045  -8.586  -3.091
  191   HD22  ASN  27          HD22      ASN  27  -1.149  -9.804  -3.415
  192    H    GLU  28           HN       GLU  28   3.548  -6.966  -4.069
  193    HA   GLU  28           HA       GLU  28   5.324  -6.617  -6.385
  194    HB2  GLU  28           HB2      GLU  28   3.492  -4.907  -5.876
  195    HB3  GLU  28           HB1      GLU  28   4.462  -4.436  -4.490
  196    HG2  GLU  28           HG2      GLU  28   4.819  -2.987  -6.430
  197    HG3  GLU  28           HG1      GLU  28   6.294  -3.823  -5.937
  198    H    HIS  29           HN       HIS  29   5.212  -6.991  -2.989
  199    HA   HIS  29           HA       HIS  29   6.764  -7.376  -1.421
  200    HB2  HIS  29           HB2      HIS  29   7.775  -8.823  -3.180
  201    HB3  HIS  29           HB1      HIS  29   8.765  -7.461  -3.692
  202    HD1  HIS  29           HD1      HIS  29   8.156  -9.491  -0.537
  203    HD2  HIS  29           HD2      HIS  29  11.165  -7.356  -2.443
  204    HE1  HIS  29           HE1      HIS  29  10.194  -9.770   0.902
  205    HE2  HIS  29           HE2      HIS  29  11.937  -8.292  -0.161
  206    H    LEU  30           HN       LEU  30   6.030  -4.857  -1.446
  207    HA   LEU  30           HA       LEU  30   8.361  -3.161  -1.712
  208    HB2  LEU  30           HB2      LEU  30   5.667  -2.385  -0.613
  209    HB3  LEU  30           HB1      LEU  30   6.953  -1.311  -1.121
  210    HG   LEU  30           HG       LEU  30   5.102  -2.955  -2.823
  211   HD11  LEU  30          HD11      LEU  30   5.912  -0.056  -2.904
  212   HD12  LEU  30          HD12      LEU  30   4.421  -0.676  -2.193
  213   HD13  LEU  30          HD13      LEU  30   4.710  -0.832  -3.931
  214   HD21  LEU  30          HD21      LEU  30   7.712  -1.722  -3.679
  215   HD22  LEU  30          HD22      LEU  30   6.460  -2.303  -4.775
  216   HD23  LEU  30          HD23      LEU  30   7.290  -3.434  -3.706
  217    H    LEU  31           HN       LEU  31   7.837  -1.384   0.489
  218    HA   LEU  31           HA       LEU  31   9.452  -2.920   2.362
  219    HB2  LEU  31           HB2      LEU  31   8.842   0.025   2.379
  220    HB3  LEU  31           HB1      LEU  31  10.119  -0.793   3.259
  221    HG   LEU  31           HG       LEU  31   9.891  -0.407   0.298
  222   HD11  LEU  31          HD11      LEU  31  12.052   0.710   0.596
  223   HD12  LEU  31          HD12      LEU  31  11.929   0.449   2.333
  224   HD13  LEU  31          HD13      LEU  31  10.760   1.483   1.510
  225   HD21  LEU  31          HD21      LEU  31  10.643  -2.645   0.614
  226   HD22  LEU  31          HD22      LEU  31  11.816  -2.134   1.831
  227   HD23  LEU  31          HD23      LEU  31  12.025  -1.653   0.145
  228    H    SER  32           HN       SER  32   6.539  -0.861   2.546
  229    HA   SER  32           HA       SER  32   6.117  -1.996   5.261
  230    HB2  SER  32           HB2      SER  32   5.371   0.630   4.015
  231    HB3  SER  32           HB1      SER  32   4.410  -0.018   5.332
  232    HG   SER  32           HG       SER  32   6.480   1.422   5.629
  233    H    GLY  33           HN       GLY  33   4.789  -1.203   2.232
  234    HA2  GLY  33           HA2      GLY  33   3.471  -2.371   0.867
  235    HA3  GLY  33           HA1      GLY  33   3.744  -3.755   1.906
  236    H    ARG  34           HN       ARG  34   2.007  -0.744   2.788
  237    HA   ARG  34           HA       ARG  34  -0.217  -2.523   3.395
  238    HB2  ARG  34           HB2      ARG  34  -0.123   0.446   3.960
  239    HB3  ARG  34           HB1      ARG  34  -1.086  -0.801   4.739
  240    HG2  ARG  34           HG2      ARG  34   0.801  -1.699   5.876
  241    HG3  ARG  34           HG1      ARG  34   1.900  -0.637   4.988
  242    HD2  ARG  34           HD2      ARG  34   1.668   0.648   6.867
  243    HD3  ARG  34           HD1      ARG  34   0.256   1.221   5.981
  244    HE   ARG  34           HE       ARG  34  -0.788  -0.806   7.365
  245   HH11  ARG  34          HH11      ARG  34   1.348   1.773   8.394
  246   HH12  ARG  34          HH12      ARG  34   0.671   1.862   9.986
  247   HH21  ARG  34          HH21      ARG  34  -1.673  -0.700   9.458
  248   HH22  ARG  34          HH22      ARG  34  -1.043   0.449  10.596
  249    H    CYS  35           HN       CYS  35  -0.723  -2.854   0.993
  250    HA   CYS  35           HA       CYS  35  -1.979  -0.516  -0.246
  251    HB2  CYS  35           HB2      CYS  35  -0.289  -2.040  -1.463
  252    HB3  CYS  35           HB1      CYS  35  -1.648  -3.140  -1.650
  253    H    ARG  36           HN       ARG  36  -4.049  -0.153  -0.143
  254    HA   ARG  36           HA       ARG  36  -5.995  -2.028  -1.045
  255    HB2  ARG  36           HB2      ARG  36  -7.141  -0.910   1.364
  256    HB3  ARG  36           HB1      ARG  36  -7.162  -2.557   0.811
  257    HG2  ARG  36           HG2      ARG  36  -5.693  -3.163   2.319
  258    HG3  ARG  36           HG1      ARG  36  -4.612  -1.843   1.849
  259    HD2  ARG  36           HD2      ARG  36  -6.943  -1.748   3.676
  260    HD3  ARG  36           HD1      ARG  36  -5.278  -1.441   4.070
  261    HE   ARG  36           HE       ARG  36  -7.064   0.493   3.208
  262   HH11  ARG  36          HH11      ARG  36  -3.786  -0.483   2.388
  263   HH12  ARG  36          HH12      ARG  36  -3.355   1.064   1.743
  264   HH21  ARG  36          HH21      ARG  36  -6.492   2.497   2.321
  265   HH22  ARG  36          HH22      ARG  36  -4.902   2.736   1.653
  266    H    ASP  37           HN       ASP  37  -8.246  -0.973  -0.561
  267    HA   ASP  37           HA       ASP  37  -8.156   1.947  -0.787
  268    HB2  ASP  37           HB2      ASP  37  -8.526   0.997  -3.062
  269    HB3  ASP  37           HB1      ASP  37  -9.898   0.082  -2.443
  270    H    ASP  38           HN       ASP  38 -10.252   2.856  -0.108
  271    HA   ASP  38           HA       ASP  38 -12.101   3.072   1.226
  272    HB2  ASP  38           HB2      ASP  38 -12.937   0.913   0.341
  273    HB3  ASP  38           HB1      ASP  38 -11.987   0.058   1.554
  274    H    PHE  39           HN       PHE  39  -9.941   0.579   2.429
  275    HA   PHE  39           HA       PHE  39 -10.000   1.579   5.146
  276    HB2  PHE  39           HB2      PHE  39  -8.264  -0.524   3.856
  277    HB3  PHE  39           HB1      PHE  39  -8.492  -0.292   5.575
  278    HD1  PHE  39           HD1      PHE  39 -10.701  -0.765   6.601
  279    HD2  PHE  39           HD2      PHE  39  -9.812  -1.787   2.563
  280    HE1  PHE  39           HE1      PHE  39 -12.631  -2.287   6.565
  281    HE2  PHE  39           HE2      PHE  39 -11.746  -3.307   2.524
  282    HZ   PHE  39           HZ       PHE  39 -13.159  -3.560   4.524
  283    H    ARG  40           HN       ARG  40  -7.665   1.965   6.164
  284    HA   ARG  40           HA       ARG  40  -6.075   3.409   4.140
  285    HB2  ARG  40           HB2      ARG  40  -6.685   4.316   6.958
  286    HB3  ARG  40           HB1      ARG  40  -5.428   5.029   5.964
  287    HG2  ARG  40           HG2      ARG  40  -7.217   6.487   5.731
  288    HG3  ARG  40           HG1      ARG  40  -7.301   5.498   4.274
  289    HD2  ARG  40           HD2      ARG  40  -9.052   4.144   5.259
  290    HD3  ARG  40           HD1      ARG  40  -8.922   5.037   6.774
  291    HE   ARG  40           HE       ARG  40  -9.468   6.803   4.628
  292   HH11  ARG  40          HH11      ARG  40 -10.996   4.397   6.662
  293   HH12  ARG  40          HH12      ARG  40 -12.572   5.108   6.529
  294   HH21  ARG  40          HH21      ARG  40 -11.536   7.726   4.436
  295   HH22  ARG  40          HH22      ARG  40 -12.883   7.001   5.258
  296    H    CYS  41           HN       CYS  41  -4.313   2.353   3.882
  297    HA   CYS  41           HA       CYS  41  -2.620   1.676   6.157
  298    HB2  CYS  41           HB2      CYS  41  -4.114  -0.160   4.738
  299    HB3  CYS  41           HB1      CYS  41  -2.541  -0.287   3.981
  300    H    TRP  42           HN       TRP  42  -0.493   2.483   5.786
  301    HA   TRP  42           HA       TRP  42   0.180   3.739   3.263
  302    HB2  TRP  42           HB2      TRP  42   1.806   3.370   5.778
  303    HB3  TRP  42           HB1      TRP  42   2.282   4.368   4.414
  304    HD1  TRP  42           HD1      TRP  42  -0.261   4.256   7.286
  305    HE1  TRP  42           HE1      TRP  42  -1.135   6.642   7.681
  306    HE3  TRP  42           HE3      TRP  42   1.979   6.611   3.345
  307    HZ2  TRP  42           HZ2      TRP  42  -0.915   9.168   6.469
  308    HZ3  TRP  42           HZ3      TRP  42   1.603   9.007   3.033
  309    HH2  TRP  42           HH2      TRP  42   0.179  10.271   4.560
  310    H    CYS  43           HN       CYS  43   1.148   2.645   1.505
  311    HA   CYS  43           HA       CYS  43   3.013   0.474   2.218
  312    HB2  CYS  43           HB2      CYS  43   1.318  -0.067   0.460
  313    HB3  CYS  43           HB1      CYS  43   2.068   1.148  -0.581
  314    H    THR  44           HN       THR  44   5.069   0.845   2.305
  315    HA   THR  44           HA       THR  44   6.188   3.284   1.146
  316    HB   THR  44           HB       THR  44   7.646   1.465   3.045
  317    HG1  THR  44           HG1      THR  44   6.222   3.585   4.146
  318   HG21  THR  44          HG21      THR  44   7.811   4.309   2.200
  319   HG22  THR  44          HG22      THR  44   9.087   3.103   2.382
  320   HG23  THR  44          HG23      THR  44   8.365   3.847   3.810
  321    H    ASN  45           HN       ASN  45   7.980   3.249  -0.221
  322    HA   ASN  45           HA       ASN  45   9.123   0.672  -1.006
  323    HB2  ASN  45           HB2      ASN  45   7.114   1.303  -2.486
  324    HB3  ASN  45           HB1      ASN  45   8.124   2.609  -3.088
  325   HD21  ASN  45          HD21      ASN  45   9.160  -0.649  -2.213
  326   HD22  ASN  45          HD22      ASN  45   9.645  -1.111  -3.809
  327    H    ARG  46           HN       ARG  46  10.888   1.242  -2.810
  328    HA   ARG  46           HA       ARG  46  12.461   3.462  -1.734
  329    HB2  ARG  46           HB2      ARG  46  13.235   1.247  -3.640
  330    HB3  ARG  46           HB1      ARG  46  14.322   2.493  -3.044
  331    HG2  ARG  46           HG2      ARG  46  14.764   1.309  -1.238
  332    HG3  ARG  46           HG1      ARG  46  13.050   1.206  -0.841
  333    HD2  ARG  46           HD2      ARG  46  12.792  -0.720  -2.274
  334    HD3  ARG  46           HD1      ARG  46  14.471  -0.585  -2.798
  335    HE   ARG  46           HE       ARG  46  14.397  -0.830  -0.002
  336   HH11  ARG  46          HH11      ARG  46  13.779  -2.719  -2.874
  337   HH12  ARG  46          HH12      ARG  46  14.174  -4.229  -2.121
  338   HH21  ARG  46          HH21      ARG  46  14.931  -2.806   0.997
  339   HH22  ARG  46          HH22      ARG  46  14.839  -4.279   0.082
  340    H    CYS  47           HN       CYS  47  12.639   5.317  -2.783
  341    HA   CYS  47           HA       CYS  47  12.192   5.373  -5.684
  342    HB2  CYS  47           HB2      CYS  47  11.071   7.297  -3.644
  343    HB3  CYS  47           HB1      CYS  47  11.015   7.557  -5.384
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  13.484   5.234   6.213
    2    H2   LYS   1           HT2      LYS   1  12.256   5.272   7.373
    3    H3   LYS   1           HT3      LYS   1  12.548   6.626   6.405
    4    HA   LYS   1           HA       LYS   1  11.578   4.002   5.452
    5    HB2  LYS   1           HB2      LYS   1  10.209   6.614   6.018
    6    HB3  LYS   1           HB1      LYS   1   9.570   5.516   4.807
    7    HG2  LYS   1           HG2      LYS   1   9.371   3.770   6.523
    8    HG3  LYS   1           HG1      LYS   1   9.963   4.915   7.730
    9    HD2  LYS   1           HD2      LYS   1   8.067   6.361   7.357
   10    HD3  LYS   1           HD1      LYS   1   7.509   5.344   6.028
   11    HE2  LYS   1           HE2      LYS   1   7.114   3.511   7.567
   12    HE3  LYS   1           HE1      LYS   1   7.742   4.473   8.905
   13    HZ1  LYS   1           HZ1      LYS   1   5.922   6.020   8.608
   14    HZ2  LYS   1           HZ2      LYS   1   5.321   4.460   8.847
   15    HZ3  LYS   1           HZ3      LYS   1   5.333   5.131   7.291
   16    H    THR   2           HN       THR   2  10.903   4.017   3.262
   17    HA   THR   2           HA       THR   2  12.170   6.026   1.552
   18    HB   THR   2           HB       THR   2  11.778   4.535  -0.315
   19    HG1  THR   2           HG1      THR   2   9.971   3.433   0.130
   20   HG21  THR   2          HG21      THR   2  13.261   2.707   0.298
   21   HG22  THR   2          HG22      THR   2  12.988   3.044   2.009
   22   HG23  THR   2          HG23      THR   2  13.826   4.224   1.001
   23    H    CYS   3           HN       CYS   3  10.584   6.110  -0.576
   24    HA   CYS   3           HA       CYS   3   8.656   7.970   0.162
   25    HB2  CYS   3           HB2      CYS   3   8.479   6.281  -2.333
   26    HB3  CYS   3           HB1      CYS   3   7.977   7.956  -2.113
   27    H    GLU   4           HN       GLU   4   6.871   7.654   1.307
   28    HA   GLU   4           HA       GLU   4   5.426   5.112   0.989
   29    HB2  GLU   4           HB2      GLU   4   6.606   5.132   3.132
   30    HB3  GLU   4           HB1      GLU   4   5.880   6.680   3.532
   31    HG2  GLU   4           HG2      GLU   4   3.641   5.555   3.428
   32    HG3  GLU   4           HG1      GLU   4   4.492   4.014   3.290
   33    H    ASN   5           HN       ASN   5   3.230   5.207   0.957
   34    HA   ASN   5           HA       ASN   5   1.959   7.781   1.447
   35    HB2  ASN   5           HB2      ASN   5   0.689   7.696  -0.624
   36    HB3  ASN   5           HB1      ASN   5   2.407   7.722  -0.967
   37   HD21  ASN   5          HD21      ASN   5  -0.499   5.868  -1.008
   38   HD22  ASN   5          HD22      ASN   5   0.081   4.584  -2.018
   39    H    LEU   6           HN       LEU   6  -0.196   7.648   1.959
   40    HA   LEU   6           HA       LEU   6  -1.029   5.030   2.902
   41    HB2  LEU   6           HB2      LEU   6  -1.283   7.462   4.041
   42    HB3  LEU   6           HB1      LEU   6  -2.828   7.351   3.220
   43    HG   LEU   6           HG       LEU   6  -1.745   5.493   5.354
   44   HD11  LEU   6          HD11      LEU   6  -3.726   6.187   6.569
   45   HD12  LEU   6          HD12      LEU   6  -4.225   7.209   5.226
   46   HD13  LEU   6          HD13      LEU   6  -2.759   7.591   6.124
   47   HD21  LEU   6          HD21      LEU   6  -3.981   4.375   5.094
   48   HD22  LEU   6          HD22      LEU   6  -2.774   4.039   3.853
   49   HD23  LEU   6          HD23      LEU   6  -4.096   5.171   3.522
   50    H    SER   7           HN       SER   7  -2.067   3.781   1.593
   51    HA   SER   7           HA       SER   7  -3.169   4.794  -0.850
   52    HB2  SER   7           HB2      SER   7  -3.597   2.353  -1.295
   53    HB3  SER   7           HB1      SER   7  -1.910   2.768  -1.007
   54    HG   SER   7           HG       SER   7  -2.214   2.037   1.168
   55    H    GLY   8           HN       GLY   8  -5.190   5.283  -1.215
   56    HA2  GLY   8           HA2      GLY   8  -7.418   3.835  -0.351
   57    HA3  GLY   8           HA1      GLY   8  -7.199   5.188   0.749
   58    H    THR   9           HN       THR   9  -6.236   7.073  -1.025
   59    HA   THR   9           HA       THR   9  -7.677   7.469  -3.357
   60    HB   THR   9           HB       THR   9  -9.723   7.451  -2.037
   61    HG1  THR   9           HG1      THR   9 -10.001   8.898  -3.616
   62   HG21  THR   9          HG21      THR   9  -8.843   8.051   0.142
   63   HG22  THR   9          HG22      THR   9 -10.138   9.163  -0.306
   64   HG23  THR   9          HG23      THR   9  -8.452   9.671  -0.433
   65    H    PHE  10           HN       PHE  10  -6.461   8.968  -0.416
   66    HA   PHE  10           HA       PHE  10  -5.458  11.250  -1.857
   67    HB2  PHE  10           HB2      PHE  10  -4.286  11.492   0.549
   68    HB3  PHE  10           HB1      PHE  10  -5.931  12.024   0.240
   69    HD1  PHE  10           HD1      PHE  10  -7.756  11.034   1.322
   70    HD2  PHE  10           HD2      PHE  10  -3.896   9.289   1.694
   71    HE1  PHE  10           HE1      PHE  10  -8.594   9.576   3.117
   72    HE2  PHE  10           HE2      PHE  10  -4.730   7.823   3.479
   73    HZ   PHE  10           HZ       PHE  10  -7.079   7.965   4.198
   74    H    LYS  11           HN       LYS  11  -3.373  11.576  -2.402
   75    HA   LYS  11           HA       LYS  11  -1.387  10.981  -3.273
   76    HB2  LYS  11           HB2      LYS  11   0.308  10.461  -1.689
   77    HB3  LYS  11           HB1      LYS  11  -0.873  11.489  -0.900
   78    HG2  LYS  11           HG2      LYS  11  -1.269   8.595  -0.535
   79    HG3  LYS  11           HG1      LYS  11   0.167   9.287   0.208
   80    HD2  LYS  11           HD2      LYS  11  -2.556  10.453   0.570
   81    HD3  LYS  11           HD1      LYS  11  -1.901   9.217   1.640
   82    HE2  LYS  11           HE2      LYS  11  -0.087  10.664   2.273
   83    HE3  LYS  11           HE1      LYS  11  -0.557  11.857   1.064
   84    HZ1  LYS  11           HZ1      LYS  11  -2.236  11.069   3.377
   85    HZ2  LYS  11           HZ2      LYS  11  -2.554  12.310   2.274
   86    HZ3  LYS  11           HZ3      LYS  11  -1.248  12.437   3.337
   87    H    GLY  12           HN       GLY  12  -3.479   9.023  -3.760
   88    HA2  GLY  12           HA2      GLY  12  -3.141   7.270  -5.352
   89    HA3  GLY  12           HA1      GLY  12  -1.672   6.830  -4.504
   90    HA   PRO  13           HA       PRO  13  -5.245   4.359  -2.618
   91    HB2  PRO  13           HB2      PRO  13  -7.010   3.475  -4.393
   92    HB3  PRO  13           HB1      PRO  13  -7.139   5.115  -3.744
   93    HG2  PRO  13           HG2      PRO  13  -6.157   4.205  -6.405
   94    HG3  PRO  13           HG1      PRO  13  -7.063   5.666  -5.980
   95    HD2  PRO  13           HD2      PRO  13  -4.273   5.466  -6.360
   96    HD3  PRO  13           HD1      PRO  13  -5.149   6.842  -5.666
   97    H    CYS  14           HN       CYS  14  -5.918   1.898  -3.136
   98    HA   CYS  14           HA       CYS  14  -3.982   0.685  -4.942
   99    HB2  CYS  14           HB2      CYS  14  -3.071   0.917  -2.524
  100    HB3  CYS  14           HB1      CYS  14  -4.157  -0.419  -2.158
  101    H    ILE  15           HN       ILE  15  -5.616  -1.213  -2.445
  102    HA   ILE  15           HA       ILE  15  -7.460  -2.187  -4.519
  103    HB   ILE  15           HB       ILE  15  -7.125  -4.496  -3.798
  104   HG12  ILE  15          HG12      ILE  15  -4.819  -3.470  -2.138
  105   HG13  ILE  15          HG11      ILE  15  -6.388  -3.900  -1.466
  106   HG21  ILE  15          HG21      ILE  15  -4.559  -3.117  -4.574
  107   HG22  ILE  15          HG22      ILE  15  -5.826  -3.659  -5.674
  108   HG23  ILE  15          HG23      ILE  15  -4.895  -4.839  -4.752
  109   HD11  ILE  15          HD11      ILE  15  -4.814  -5.701  -1.176
  110   HD12  ILE  15          HD12      ILE  15  -4.507  -5.742  -2.912
  111   HD13  ILE  15          HD13      ILE  15  -6.096  -6.184  -2.288
  112    HA   PRO  16           HA       PRO  16 -10.393  -1.579  -1.241
  113    HB2  PRO  16           HB2      PRO  16 -12.383  -3.015  -2.784
  114    HB3  PRO  16           HB1      PRO  16 -12.256  -1.282  -2.480
  115    HG2  PRO  16           HG2      PRO  16 -11.859  -2.401  -4.931
  116    HG3  PRO  16           HG1      PRO  16 -11.079  -0.899  -4.408
  117    HD2  PRO  16           HD2      PRO  16  -9.968  -3.681  -4.498
  118    HD3  PRO  16           HD1      PRO  16  -9.203  -2.143  -4.950
  119    H    ASP  17           HN       ASP  17  -8.841  -4.292  -1.565
  120    HA   ASP  17           HA       ASP  17 -10.798  -6.183  -0.568
  121    HB2  ASP  17           HB2      ASP  17  -7.844  -6.540  -1.074
  122    HB3  ASP  17           HB1      ASP  17  -9.003  -7.827  -0.764
  123    H    GLY  18           HN       GLY  18  -8.300  -4.145   0.722
  124    HA2  GLY  18           HA2      GLY  18  -8.251  -3.406   2.927
  125    HA3  GLY  18           HA1      GLY  18  -9.339  -4.702   3.374
  126    H    ASN  19           HN       ASN  19  -7.065  -6.234   1.776
  127    HA   ASN  19           HA       ASN  19  -5.582  -6.966   4.171
  128    HB2  ASN  19           HB2      ASN  19  -4.703  -8.737   2.426
  129    HB3  ASN  19           HB1      ASN  19  -6.309  -8.906   3.125
  130   HD21  ASN  19          HD21      ASN  19  -5.491  -6.493   0.747
  131   HD22  ASN  19          HD22      ASN  19  -6.487  -7.117  -0.508
  132    H    CYS  20           HN       CYS  20  -4.578  -4.768   3.968
  133    HA   CYS  20           HA       CYS  20  -3.223  -3.970   1.721
  134    HB2  CYS  20           HB2      CYS  20  -2.219  -2.259   3.173
  135    HB3  CYS  20           HB1      CYS  20  -3.955  -2.378   3.324
  136    H    ASN  21           HN       ASN  21  -1.816  -5.258   4.723
  137    HA   ASN  21           HA       ASN  21   0.826  -4.938   3.940
  138    HB2  ASN  21           HB2      ASN  21  -0.471  -6.767   5.915
  139    HB3  ASN  21           HB1      ASN  21   1.264  -6.808   5.654
  140   HD21  ASN  21          HD21      ASN  21   1.436  -3.965   5.134
  141   HD22  ASN  21          HD22      ASN  21   1.243  -3.200   6.666
  142    H    LYS  22           HN       LYS  22  -1.112  -7.922   3.775
  143    HA   LYS  22           HA       LYS  22   0.981  -9.475   2.744
  144    HB2  LYS  22           HB2      LYS  22  -0.643 -11.158   2.284
  145    HB3  LYS  22           HB1      LYS  22  -1.107 -10.365   3.779
  146    HG2  LYS  22           HG2      LYS  22  -2.742  -9.015   2.499
  147    HG3  LYS  22           HG1      LYS  22  -2.303  -9.921   1.061
  148    HD2  LYS  22           HD2      LYS  22  -4.244 -10.949   1.850
  149    HD3  LYS  22           HD1      LYS  22  -2.934 -12.006   2.357
  150    HE2  LYS  22           HE2      LYS  22  -4.252  -9.947   4.123
  151    HE3  LYS  22           HE1      LYS  22  -4.698 -11.648   4.084
  152    HZ1  LYS  22           HZ1      LYS  22  -2.321 -12.114   4.693
  153    HZ2  LYS  22           HZ2      LYS  22  -3.252 -11.375   5.893
  154    HZ3  LYS  22           HZ3      LYS  22  -2.149 -10.461   5.002
  155    H    HIS  23           HN       HIS  23  -1.326  -7.368   1.100
  156    HA   HIS  23           HA       HIS  23  -0.926  -8.524  -1.459
  157    HB2  HIS  23           HB2      HIS  23  -2.858  -7.025  -0.878
  158    HB3  HIS  23           HB1      HIS  23  -1.740  -5.664  -0.932
  159    HD1  HIS  23           HD1      HIS  23  -3.362  -8.236  -3.162
  160    HD2  HIS  23           HD2      HIS  23  -1.075  -4.774  -3.483
  161    HE1  HIS  23           HE1      HIS  23  -3.398  -7.618  -5.599
  162    HE2  HIS  23           HE2      HIS  23  -1.875  -5.625  -5.791
  163    H    CYS  24           HN       CYS  24   0.259  -5.363  -0.248
  164    HA   CYS  24           HA       CYS  24   1.985  -4.817  -2.351
  165    HB2  CYS  24           HB2      CYS  24   1.935  -4.049   0.513
  166    HB3  CYS  24           HB1      CYS  24   3.461  -3.869  -0.331
  167    H    ARG  25           HN       ARG  25   2.406  -6.981   0.354
  168    HA   ARG  25           HA       ARG  25   5.270  -7.067  -0.009
  169    HB2  ARG  25           HB2      ARG  25   3.520  -8.486   1.979
  170    HB3  ARG  25           HB1      ARG  25   5.267  -8.397   2.024
  171    HG2  ARG  25           HG2      ARG  25   3.379  -6.088   2.225
  172    HG3  ARG  25           HG1      ARG  25   4.276  -6.812   3.564
  173    HD2  ARG  25           HD2      ARG  25   5.652  -5.740   1.139
  174    HD3  ARG  25           HD1      ARG  25   5.238  -4.671   2.472
  175    HE   ARG  25           HE       ARG  25   7.312  -6.694   2.381
  176   HH11  ARG  25          HH11      ARG  25   5.271  -4.808   4.512
  177   HH12  ARG  25          HH12      ARG  25   6.419  -4.794   5.805
  178   HH21  ARG  25          HH21      ARG  25   8.814  -6.704   4.095
  179   HH22  ARG  25          HH22      ARG  25   8.435  -5.870   5.569
  180    H    ASN  26           HN       ASN  26   2.517  -9.146  -0.712
  181    HA   ASN  26           HA       ASN  26   4.307 -11.427  -1.047
  182    HB2  ASN  26           HB2      ASN  26   1.353 -11.078  -1.127
  183    HB3  ASN  26           HB1      ASN  26   2.046 -12.440  -1.997
  184   HD21  ASN  26          HD21      ASN  26   1.448 -11.023   1.079
  185   HD22  ASN  26          HD22      ASN  26   1.891 -12.391   2.042
  186    H    ASN  27           HN       ASN  27   2.245  -9.458  -3.138
  187    HA   ASN  27           HA       ASN  27   3.246 -10.879  -5.460
  188    HB2  ASN  27           HB2      ASN  27   1.662  -9.173  -6.648
  189    HB3  ASN  27           HB1      ASN  27   0.981 -10.512  -5.724
  190   HD21  ASN  27          HD21      ASN  27   0.064 -10.128  -3.732
  191   HD22  ASN  27          HD22      ASN  27  -0.339  -8.541  -3.176
  192    H    GLU  28           HN       GLU  28   3.523  -7.613  -4.067
  193    HA   GLU  28           HA       GLU  28   5.342  -6.970  -6.291
  194    HB2  GLU  28           HB2      GLU  28   3.265  -5.529  -5.650
  195    HB3  GLU  28           HB1      GLU  28   4.297  -4.929  -4.360
  196    HG2  GLU  28           HG2      GLU  28   4.352  -3.463  -6.292
  197    HG3  GLU  28           HG1      GLU  28   5.932  -4.187  -5.991
  198    H    HIS  29           HN       HIS  29   5.187  -7.433  -2.881
  199    HA   HIS  29           HA       HIS  29   6.717  -7.550  -1.245
  200    HB2  HIS  29           HB2      HIS  29   7.882  -8.947  -3.077
  201    HB3  HIS  29           HB1      HIS  29   8.916  -7.539  -3.301
  202    HD1  HIS  29           HD1      HIS  29  10.113  -6.721  -0.927
  203    HD2  HIS  29           HD2      HIS  29   8.780 -10.649  -1.180
  204    HE1  HIS  29           HE1      HIS  29  11.296  -7.957   0.907
  205    HE2  HIS  29           HE2      HIS  29  10.670 -10.371   0.560
  206    H    LEU  30           HN       LEU  30   5.823  -5.089  -1.431
  207    HA   LEU  30           HA       LEU  30   7.998  -3.227  -1.802
  208    HB2  LEU  30           HB2      LEU  30   5.311  -2.653  -0.578
  209    HB3  LEU  30           HB1      LEU  30   6.477  -1.485  -1.158
  210    HG   LEU  30           HG       LEU  30   4.672  -3.280  -2.742
  211   HD11  LEU  30          HD11      LEU  30   4.108  -1.204  -3.864
  212   HD12  LEU  30          HD12      LEU  30   5.306  -0.343  -2.898
  213   HD13  LEU  30          HD13      LEU  30   3.887  -1.043  -2.117
  214   HD21  LEU  30          HD21      LEU  30   5.885  -2.629  -4.768
  215   HD22  LEU  30          HD22      LEU  30   6.872  -3.627  -3.700
  216   HD23  LEU  30          HD23      LEU  30   7.134  -1.884  -3.775
  217    H    LEU  31           HN       LEU  31   7.650  -1.425   0.332
  218    HA   LEU  31           HA       LEU  31   9.299  -2.982   2.163
  219    HB2  LEU  31           HB2      LEU  31   8.930  -0.011   2.179
  220    HB3  LEU  31           HB1      LEU  31  10.245  -0.943   2.874
  221    HG   LEU  31           HG       LEU  31   9.648  -0.504  -0.033
  222   HD11  LEU  31          HD11      LEU  31  12.051   0.162   1.659
  223   HD12  LEU  31          HD12      LEU  31  10.824   1.306   1.114
  224   HD13  LEU  31          HD13      LEU  31  11.866   0.501  -0.062
  225   HD21  LEU  31          HD21      LEU  31  10.290  -2.797   0.196
  226   HD22  LEU  31          HD22      LEU  31  11.655  -2.363   1.229
  227   HD23  LEU  31          HD23      LEU  31  11.651  -1.894  -0.473
  228    H    SER  32           HN       SER  32   6.625  -0.596   2.554
  229    HA   SER  32           HA       SER  32   6.258  -1.683   5.273
  230    HB2  SER  32           HB2      SER  32   6.071   0.864   4.616
  231    HB3  SER  32           HB1      SER  32   4.453   0.404   4.110
  232    HG   SER  32           HG       SER  32   4.341   1.056   6.231
  233    H    GLY  33           HN       GLY  33   4.911  -1.674   2.154
  234    HA2  GLY  33           HA2      GLY  33   3.386  -2.935   1.135
  235    HA3  GLY  33           HA1      GLY  33   3.612  -4.104   2.402
  236    H    ARG  34           HN       ARG  34   2.305  -0.959   3.274
  237    HA   ARG  34           HA       ARG  34  -0.164  -2.294   3.967
  238    HB2  ARG  34           HB2      ARG  34   1.307   0.104   4.600
  239    HB3  ARG  34           HB1      ARG  34  -0.387   0.490   4.398
  240    HG2  ARG  34           HG2      ARG  34  -0.953  -1.091   6.156
  241    HG3  ARG  34           HG1      ARG  34   0.732  -1.608   6.265
  242    HD2  ARG  34           HD2      ARG  34   1.397   0.633   6.951
  243    HD3  ARG  34           HD1      ARG  34  -0.272   1.204   6.797
  244    HE   ARG  34           HE       ARG  34  -0.397  -0.893   8.555
  245   HH11  ARG  34          HH11      ARG  34   1.456   2.079   8.441
  246   HH12  ARG  34          HH12      ARG  34   1.462   2.285  10.163
  247   HH21  ARG  34          HH21      ARG  34  -0.355  -0.634  10.825
  248   HH22  ARG  34          HH22      ARG  34   0.449   0.741  11.514
  249    H    CYS  35           HN       CYS  35  -0.714  -2.848   1.622
  250    HA   CYS  35           HA       CYS  35  -1.711  -0.590   0.062
  251    HB2  CYS  35           HB2      CYS  35  -0.470  -1.845  -1.384
  252    HB3  CYS  35           HB1      CYS  35  -0.920  -3.360  -0.613
  253    H    ARG  36           HN       ARG  36  -3.793   0.078   0.397
  254    HA   ARG  36           HA       ARG  36  -5.716  -1.719  -0.702
  255    HB2  ARG  36           HB2      ARG  36  -7.392  -1.405   1.216
  256    HB3  ARG  36           HB1      ARG  36  -6.160  -2.636   1.367
  257    HG2  ARG  36           HG2      ARG  36  -4.842  -0.872   2.654
  258    HG3  ARG  36           HG1      ARG  36  -6.374  -0.013   2.766
  259    HD2  ARG  36           HD2      ARG  36  -7.370  -2.104   3.703
  260    HD3  ARG  36           HD1      ARG  36  -5.765  -2.800   3.775
  261    HE   ARG  36           HE       ARG  36  -5.748  -0.313   5.088
  262   HH11  ARG  36          HH11      ARG  36  -7.015  -3.556   5.562
  263   HH12  ARG  36          HH12      ARG  36  -7.185  -3.355   7.278
  264   HH21  ARG  36          HH21      ARG  36  -5.976  -0.078   7.339
  265   HH22  ARG  36          HH22      ARG  36  -6.595  -1.400   8.278
  266    H    ASP  37           HN       ASP  37  -8.056  -0.584  -0.449
  267    HA   ASP  37           HA       ASP  37  -7.594   2.156  -1.446
  268    HB2  ASP  37           HB2      ASP  37  -7.971   0.512  -3.260
  269    HB3  ASP  37           HB1      ASP  37  -9.518   0.091  -2.541
  270    H    ASP  38           HN       ASP  38 -10.530   0.210  -0.958
  271    HA   ASP  38           HA       ASP  38 -12.060   2.320   0.090
  272    HB2  ASP  38           HB2      ASP  38 -13.012   0.245  -0.908
  273    HB3  ASP  38           HB1      ASP  38 -12.490  -0.647   0.517
  274    H    PHE  39           HN       PHE  39  -9.892   0.062   1.532
  275    HA   PHE  39           HA       PHE  39 -10.265   1.392   4.131
  276    HB2  PHE  39           HB2      PHE  39  -8.736  -1.143   3.651
  277    HB3  PHE  39           HB1      PHE  39  -9.356  -0.542   5.176
  278    HD1  PHE  39           HD1      PHE  39  -9.939  -2.706   2.385
  279    HD2  PHE  39           HD2      PHE  39 -11.894  -0.460   5.448
  280    HE1  PHE  39           HE1      PHE  39 -11.976  -4.058   2.097
  281    HE2  PHE  39           HE2      PHE  39 -13.919  -1.823   5.160
  282    HZ   PHE  39           HZ       PHE  39 -13.961  -3.623   3.483
  283    H    ARG  40           HN       ARG  40  -7.975   1.729   5.237
  284    HA   ARG  40           HA       ARG  40  -6.240   2.643   3.039
  285    HB2  ARG  40           HB2      ARG  40  -7.188   4.211   5.431
  286    HB3  ARG  40           HB1      ARG  40  -5.800   4.704   4.473
  287    HG2  ARG  40           HG2      ARG  40  -7.520   5.938   3.549
  288    HG3  ARG  40           HG1      ARG  40  -7.412   4.550   2.469
  289    HD2  ARG  40           HD2      ARG  40  -9.204   3.546   4.110
  290    HD3  ARG  40           HD1      ARG  40  -9.507   5.244   4.469
  291    HE   ARG  40           HE       ARG  40  -9.547   4.330   1.678
  292   HH11  ARG  40          HH11      ARG  40 -11.246   5.609   4.463
  293   HH12  ARG  40          HH12      ARG  40 -12.689   5.979   3.577
  294   HH21  ARG  40          HH21      ARG  40 -11.459   4.798   0.507
  295   HH22  ARG  40          HH22      ARG  40 -12.817   5.504   1.325
  296    H    CYS  41           HN       CYS  41  -4.269   1.977   3.130
  297    HA   CYS  41           HA       CYS  41  -2.917   1.645   5.711
  298    HB2  CYS  41           HB2      CYS  41  -3.482  -0.362   3.672
  299    HB3  CYS  41           HB1      CYS  41  -1.814  -0.347   4.167
  300    H    TRP  42           HN       TRP  42  -0.671   2.243   5.726
  301    HA   TRP  42           HA       TRP  42   0.325   3.863   3.531
  302    HB2  TRP  42           HB2      TRP  42   1.537   3.088   6.188
  303    HB3  TRP  42           HB1      TRP  42   2.317   4.162   5.039
  304    HD1  TRP  42           HD1      TRP  42  -0.475   4.053   7.627
  305    HE1  TRP  42           HE1      TRP  42  -1.252   6.463   8.106
  306    HE3  TRP  42           HE3      TRP  42   2.134   6.481   3.974
  307    HZ2  TRP  42           HZ2      TRP  42  -0.813   9.055   7.048
  308    HZ3  TRP  42           HZ3      TRP  42   1.906   8.907   3.766
  309    HH2  TRP  42           HH2      TRP  42   0.466  10.175   5.278
  310    H    CYS  43           HN       CYS  43   1.089   2.597   1.718
  311    HA   CYS  43           HA       CYS  43   2.995   0.470   2.424
  312    HB2  CYS  43           HB2      CYS  43   1.184  -0.071   0.770
  313    HB3  CYS  43           HB1      CYS  43   1.955   1.043  -0.359
  314    H    THR  44           HN       THR  44   5.056   0.799   2.364
  315    HA   THR  44           HA       THR  44   6.135   3.266   1.246
  316    HB   THR  44           HB       THR  44   7.605   1.207   2.894
  317    HG1  THR  44           HG1      THR  44   5.989   3.383   3.723
  318   HG21  THR  44          HG21      THR  44   8.099   4.131   2.353
  319   HG22  THR  44          HG22      THR  44   9.055   2.771   1.770
  320   HG23  THR  44          HG23      THR  44   9.016   3.146   3.492
  321    H    ASN  45           HN       ASN  45   7.486   3.332  -0.456
  322    HA   ASN  45           HA       ASN  45   9.011   1.008  -1.285
  323    HB2  ASN  45           HB2      ASN  45   6.815   0.763  -2.446
  324    HB3  ASN  45           HB1      ASN  45   7.064   2.333  -3.194
  325   HD21  ASN  45          HD21      ASN  45   8.307  -0.936  -2.964
  326   HD22  ASN  45          HD22      ASN  45   9.078  -0.948  -4.513
  327    H    ARG  46           HN       ARG  46  10.267   1.802  -3.460
  328    HA   ARG  46           HA       ARG  46  11.434   4.365  -2.651
  329    HB2  ARG  46           HB2      ARG  46  12.580   2.519  -4.735
  330    HB3  ARG  46           HB1      ARG  46  13.401   3.762  -3.814
  331    HG2  ARG  46           HG2      ARG  46  14.190   1.954  -2.725
  332    HG3  ARG  46           HG1      ARG  46  12.706   2.184  -1.797
  333    HD2  ARG  46           HD2      ARG  46  11.568   0.548  -3.167
  334    HD3  ARG  46           HD1      ARG  46  12.998   0.356  -4.176
  335    HE   ARG  46           HE       ARG  46  13.526  -0.185  -1.417
  336   HH11  ARG  46          HH11      ARG  46  12.228  -1.561  -4.368
  337   HH12  ARG  46          HH12      ARG  46  12.585  -3.196  -3.913
  338   HH21  ARG  46          HH21      ARG  46  14.009  -2.330  -0.826
  339   HH22  ARG  46          HH22      ARG  46  13.612  -3.632  -1.898
  340    H    CYS  47           HN       CYS  47  10.864   6.136  -3.752
  341    HA   CYS  47           HA       CYS  47   9.699   5.789  -6.401
  342    HB2  CYS  47           HB2      CYS  47   8.912   8.105  -6.189
  343    HB3  CYS  47           HB1      CYS  47   8.382   7.119  -4.836
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  13.407   6.172   6.053
    2    H2   LYS   1           HT2      LYS   1  14.090   4.724   5.517
    3    H3   LYS   1           HT3      LYS   1  13.179   4.751   6.940
    4    HA   LYS   1           HA       LYS   1  11.941   3.788   5.118
    5    HB2  LYS   1           HB2      LYS   1  10.655   4.849   6.822
    6    HB3  LYS   1           HB1      LYS   1  10.988   6.449   6.182
    7    HG2  LYS   1           HG2      LYS   1   9.681   5.820   4.155
    8    HG3  LYS   1           HG1      LYS   1   9.250   4.317   4.970
    9    HD2  LYS   1           HD2      LYS   1   8.671   7.077   6.040
   10    HD3  LYS   1           HD1      LYS   1   7.514   6.079   5.159
   11    HE2  LYS   1           HE2      LYS   1   8.860   5.280   7.736
   12    HE3  LYS   1           HE1      LYS   1   7.250   5.986   7.624
   13    HZ1  LYS   1           HZ1      LYS   1   7.251   3.541   7.797
   14    HZ2  LYS   1           HZ2      LYS   1   8.049   3.447   6.311
   15    HZ3  LYS   1           HZ3      LYS   1   6.487   4.099   6.390
   16    H    THR   2           HN       THR   2  11.145   3.895   3.094
   17    HA   THR   2           HA       THR   2  12.291   5.928   1.326
   18    HB   THR   2           HB       THR   2  11.922   4.384  -0.502
   19    HG1  THR   2           HG1      THR   2  10.149   3.234   0.000
   20   HG21  THR   2          HG21      THR   2  13.194   2.998   1.852
   21   HG22  THR   2          HG22      THR   2  13.991   4.160   0.791
   22   HG23  THR   2          HG23      THR   2  13.457   2.605   0.153
   23    H    CYS   3           HN       CYS   3  10.685   5.910  -0.777
   24    HA   CYS   3           HA       CYS   3   8.750   7.765  -0.124
   25    HB2  CYS   3           HB2      CYS   3   8.549   5.889  -2.481
   26    HB3  CYS   3           HB1      CYS   3   7.952   7.542  -2.365
   27    H    GLU   4           HN       GLU   4   7.056   7.522   1.120
   28    HA   GLU   4           HA       GLU   4   5.478   5.050   0.936
   29    HB2  GLU   4           HB2      GLU   4   6.654   5.049   3.053
   30    HB3  GLU   4           HB1      GLU   4   6.138   6.703   3.378
   31    HG2  GLU   4           HG2      GLU   4   3.768   5.886   3.393
   32    HG3  GLU   4           HG1      GLU   4   4.396   4.240   3.300
   33    H    ASN   5           HN       ASN   5   3.361   5.310   0.611
   34    HA   ASN   5           HA       ASN   5   2.165   7.873   1.346
   35    HB2  ASN   5           HB2      ASN   5   0.932   8.070  -0.705
   36    HB3  ASN   5           HB1      ASN   5   2.631   7.912  -1.111
   37   HD21  ASN   5          HD21      ASN   5  -0.455   6.319  -1.042
   38   HD22  ASN   5          HD22      ASN   5  -0.068   5.076  -2.185
   39    H    LEU   6           HN       LEU   6  -0.087   7.762   1.663
   40    HA   LEU   6           HA       LEU   6  -0.968   5.137   2.540
   41    HB2  LEU   6           HB2      LEU   6  -1.329   7.564   3.646
   42    HB3  LEU   6           HB1      LEU   6  -2.784   7.477   2.674
   43    HG   LEU   6           HG       LEU   6  -1.952   5.573   4.881
   44   HD11  LEU   6          HD11      LEU   6  -2.914   7.692   5.633
   45   HD12  LEU   6          HD12      LEU   6  -4.009   6.345   5.943
   46   HD13  LEU   6          HD13      LEU   6  -4.315   7.437   4.592
   47   HD21  LEU   6          HD21      LEU   6  -2.921   4.164   3.323
   48   HD22  LEU   6          HD22      LEU   6  -4.113   5.375   2.817
   49   HD23  LEU   6          HD23      LEU   6  -4.253   4.602   4.395
   50    H    SER   7           HN       SER   7  -2.280   3.897   1.380
   51    HA   SER   7           HA       SER   7  -2.984   4.862  -1.266
   52    HB2  SER   7           HB2      SER   7  -3.401   2.403  -1.654
   53    HB3  SER   7           HB1      SER   7  -1.741   2.834  -1.269
   54    HG   SER   7           HG       SER   7  -2.025   2.049   0.791
   55    H    GLY   8           HN       GLY   8  -5.039   4.716  -2.143
   56    HA2  GLY   8           HA2      GLY   8  -7.245   3.670  -2.055
   57    HA3  GLY   8           HA1      GLY   8  -7.184   3.857  -0.308
   58    H    THR   9           HN       THR   9  -8.427   5.383   0.422
   59    HA   THR   9           HA       THR   9  -9.547   7.440  -1.173
   60    HB   THR   9           HB       THR   9 -10.563   6.548   0.956
   61    HG1  THR   9           HG1      THR   9 -10.228   9.286   0.390
   62   HG21  THR   9          HG21      THR   9  -9.808   7.482   3.088
   63   HG22  THR   9          HG22      THR   9  -8.488   8.313   2.261
   64   HG23  THR   9          HG23      THR   9  -8.519   6.551   2.324
   65    H    PHE  10           HN       PHE  10  -6.658   7.081   0.643
   66    HA   PHE  10           HA       PHE  10  -5.950   9.893   0.497
   67    HB2  PHE  10           HB2      PHE  10  -4.848   7.470   1.820
   68    HB3  PHE  10           HB1      PHE  10  -3.696   8.711   1.352
   69    HD1  PHE  10           HD1      PHE  10  -6.867   8.238   3.236
   70    HD2  PHE  10           HD2      PHE  10  -3.296  10.486   2.739
   71    HE1  PHE  10           HE1      PHE  10  -7.382   9.495   5.289
   72    HE2  PHE  10           HE2      PHE  10  -3.799  11.749   4.791
   73    HZ   PHE  10           HZ       PHE  10  -5.844  11.254   6.068
   74    H    LYS  11           HN       LYS  11  -4.578  10.730  -0.985
   75    HA   LYS  11           HA       LYS  11  -3.193  10.897  -2.778
   76    HB2  LYS  11           HB2      LYS  11  -2.087   8.450  -1.416
   77    HB3  LYS  11           HB1      LYS  11  -1.296   9.213  -2.786
   78    HG2  LYS  11           HG2      LYS  11  -0.259   9.962  -0.758
   79    HG3  LYS  11           HG1      LYS  11  -1.123  11.308  -1.483
   80    HD2  LYS  11           HD2      LYS  11  -3.016  10.715   0.098
   81    HD3  LYS  11           HD1      LYS  11  -1.875   9.681   0.949
   82    HE2  LYS  11           HE2      LYS  11  -1.959  11.821   2.046
   83    HE3  LYS  11           HE1      LYS  11  -0.400  11.657   1.244
   84    HZ1  LYS  11           HZ1      LYS  11  -2.717  13.150   0.136
   85    HZ2  LYS  11           HZ2      LYS  11  -1.164  13.065  -0.530
   86    HZ3  LYS  11           HZ3      LYS  11  -1.409  13.858   0.941
   87    H    GLY  12           HN       GLY  12  -2.224   7.877  -3.506
   88    HA2  GLY  12           HA2      GLY  12  -4.168   7.661  -5.683
   89    HA3  GLY  12           HA1      GLY  12  -2.627   6.829  -5.606
   90    HA   PRO  13           HA       PRO  13  -6.288   4.368  -3.600
   91    HB2  PRO  13           HB2      PRO  13  -7.860   3.602  -5.665
   92    HB3  PRO  13           HB1      PRO  13  -8.144   5.090  -4.754
   93    HG2  PRO  13           HG2      PRO  13  -6.812   4.716  -7.407
   94    HG3  PRO  13           HG1      PRO  13  -7.960   5.969  -6.898
   95    HD2  PRO  13           HD2      PRO  13  -5.268   6.363  -7.026
   96    HD3  PRO  13           HD1      PRO  13  -6.318   7.225  -5.888
   97    H    CYS  14           HN       CYS  14  -6.056   2.167  -3.390
   98    HA   CYS  14           HA       CYS  14  -4.380   0.885  -5.437
   99    HB2  CYS  14           HB2      CYS  14  -3.567   1.256  -2.980
  100    HB3  CYS  14           HB1      CYS  14  -4.558  -0.152  -2.634
  101    H    ILE  15           HN       ILE  15  -6.089  -0.814  -2.834
  102    HA   ILE  15           HA       ILE  15  -8.024  -1.878  -4.739
  103    HB   ILE  15           HB       ILE  15  -7.548  -4.203  -4.141
  104   HG12  ILE  15          HG12      ILE  15  -5.156  -3.020  -2.703
  105   HG13  ILE  15          HG11      ILE  15  -6.507  -3.890  -1.982
  106   HG21  ILE  15          HG21      ILE  15  -5.183  -2.760  -5.328
  107   HG22  ILE  15          HG22      ILE  15  -6.608  -3.330  -6.196
  108   HG23  ILE  15          HG23      ILE  15  -5.500  -4.489  -5.464
  109   HD11  ILE  15          HD11      ILE  15  -4.519  -5.278  -2.143
  110   HD12  ILE  15          HD12      ILE  15  -4.516  -5.072  -3.894
  111   HD13  ILE  15          HD13      ILE  15  -5.847  -5.923  -3.110
  112    HA   PRO  16           HA       PRO  16 -10.364  -1.556  -1.019
  113    HB2  PRO  16           HB2      PRO  16 -12.761  -2.293  -1.999
  114    HB3  PRO  16           HB1      PRO  16 -11.988  -0.770  -2.445
  115    HG2  PRO  16           HG2      PRO  16 -12.303  -3.256  -4.017
  116    HG3  PRO  16           HG1      PRO  16 -12.149  -1.583  -4.572
  117    HD2  PRO  16           HD2      PRO  16 -10.119  -3.568  -4.484
  118    HD3  PRO  16           HD1      PRO  16  -9.927  -1.857  -4.894
  119    H    ASP  17           HN       ASP  17  -8.863  -4.033  -1.299
  120    HA   ASP  17           HA       ASP  17 -10.795  -6.088  -0.528
  121    HB2  ASP  17           HB2      ASP  17  -7.888  -6.267  -1.304
  122    HB3  ASP  17           HB1      ASP  17  -8.822  -7.640  -0.727
  123    H    GLY  18           HN       GLY  18  -8.421  -4.029   0.872
  124    HA2  GLY  18           HA2      GLY  18  -7.963  -3.657   3.095
  125    HA3  GLY  18           HA1      GLY  18  -9.219  -4.810   3.493
  126    H    ASN  19           HN       ASN  19  -6.252  -5.253   1.662
  127    HA   ASN  19           HA       ASN  19  -5.346  -7.303   3.545
  128    HB2  ASN  19           HB2      ASN  19  -4.723  -8.695   1.631
  129    HB3  ASN  19           HB1      ASN  19  -6.451  -8.364   1.597
  130   HD21  ASN  19          HD21      ASN  19  -6.524  -5.859   0.515
  131   HD22  ASN  19          HD22      ASN  19  -5.874  -5.853  -1.072
  132    H    CYS  20           HN       CYS  20  -4.567  -4.596   3.326
  133    HA   CYS  20           HA       CYS  20  -2.923  -3.828   1.360
  134    HB2  CYS  20           HB2      CYS  20  -2.042  -2.123   2.863
  135    HB3  CYS  20           HB1      CYS  20  -3.774  -2.270   2.969
  136    H    ASN  21           HN       ASN  21  -1.844  -5.385   4.356
  137    HA   ASN  21           HA       ASN  21   0.879  -5.014   3.821
  138    HB2  ASN  21           HB2      ASN  21  -0.594  -6.898   5.618
  139    HB3  ASN  21           HB1      ASN  21   1.154  -6.990   5.455
  140   HD21  ASN  21          HD21      ASN  21   1.367  -4.094   5.041
  141   HD22  ASN  21          HD22      ASN  21   1.141  -3.403   6.606
  142    H    LYS  22           HN       LYS  22  -1.085  -7.946   3.413
  143    HA   LYS  22           HA       LYS  22   1.092  -9.367   2.337
  144    HB2  LYS  22           HB2      LYS  22  -0.487 -11.114   1.823
  145    HB3  LYS  22           HB1      LYS  22  -0.809 -10.466   3.419
  146    HG2  LYS  22           HG2      LYS  22  -2.680  -9.126   2.437
  147    HG3  LYS  22           HG1      LYS  22  -2.350  -9.927   0.895
  148    HD2  LYS  22           HD2      LYS  22  -2.654 -12.127   2.074
  149    HD3  LYS  22           HD1      LYS  22  -3.229 -11.216   3.469
  150    HE2  LYS  22           HE2      LYS  22  -5.048 -12.091   2.047
  151    HE3  LYS  22           HE1      LYS  22  -5.071 -10.338   2.206
  152    HZ1  LYS  22           HZ1      LYS  22  -3.934 -11.826  -0.104
  153    HZ2  LYS  22           HZ2      LYS  22  -4.070 -10.147   0.030
  154    HZ3  LYS  22           HZ3      LYS  22  -5.460 -11.098  -0.082
  155    H    HIS  23           HN       HIS  23  -1.348  -7.338   0.786
  156    HA   HIS  23           HA       HIS  23  -0.920  -8.341  -1.821
  157    HB2  HIS  23           HB2      HIS  23  -2.825  -6.846  -1.234
  158    HB3  HIS  23           HB1      HIS  23  -1.689  -5.503  -1.126
  159    HD1  HIS  23           HD1      HIS  23  -3.133  -7.923  -3.652
  160    HD2  HIS  23           HD2      HIS  23  -1.004  -4.351  -3.535
  161    HE1  HIS  23           HE1      HIS  23  -3.068  -7.094  -6.023
  162    HE2  HIS  23           HE2      HIS  23  -1.614  -5.044  -5.950
  163    H    CYS  24           HN       CYS  24   0.495  -5.473  -0.229
  164    HA   CYS  24           HA       CYS  24   2.293  -4.881  -2.324
  165    HB2  CYS  24           HB2      CYS  24   2.197  -4.206   0.594
  166    HB3  CYS  24           HB1      CYS  24   3.646  -3.854  -0.326
  167    H    ARG  25           HN       ARG  25   2.579  -6.884   0.591
  168    HA   ARG  25           HA       ARG  25   5.446  -6.996   0.291
  169    HB2  ARG  25           HB2      ARG  25   3.653  -8.293   2.336
  170    HB3  ARG  25           HB1      ARG  25   5.398  -8.142   2.440
  171    HG2  ARG  25           HG2      ARG  25   3.508  -5.822   2.282
  172    HG3  ARG  25           HG1      ARG  25   4.160  -6.472   3.787
  173    HD2  ARG  25           HD2      ARG  25   6.191  -5.916   1.771
  174    HD3  ARG  25           HD1      ARG  25   5.310  -4.471   2.271
  175    HE   ARG  25           HE       ARG  25   6.094  -4.787   4.477
  176   HH11  ARG  25          HH11      ARG  25   7.388  -7.186   2.280
  177   HH12  ARG  25          HH12      ARG  25   8.651  -7.669   3.355
  178   HH21  ARG  25          HH21      ARG  25   7.745  -5.433   5.896
  179   HH22  ARG  25          HH22      ARG  25   8.854  -6.677   5.416
  180    H    ASN  26           HN       ASN  26   2.742  -9.194  -0.195
  181    HA   ASN  26           HA       ASN  26   4.469 -11.469  -0.602
  182    HB2  ASN  26           HB2      ASN  26   1.543 -11.086  -1.252
  183    HB3  ASN  26           HB1      ASN  26   2.409 -12.591  -1.430
  184   HD21  ASN  26          HD21      ASN  26   3.914 -11.875   1.103
  185   HD22  ASN  26          HD22      ASN  26   2.807 -12.271   2.373
  186    H    ASN  27           HN       ASN  27   2.732  -9.151  -2.600
  187    HA   ASN  27           HA       ASN  27   3.336 -10.628  -5.009
  188    HB2  ASN  27           HB2      ASN  27   1.899  -8.003  -4.597
  189    HB3  ASN  27           HB1      ASN  27   2.062  -8.827  -6.144
  190   HD21  ASN  27          HD21      ASN  27   0.593  -8.917  -2.978
  191   HD22  ASN  27          HD22      ASN  27  -0.624 -10.086  -3.374
  192    H    GLU  28           HN       GLU  28   4.095  -7.377  -3.741
  193    HA   GLU  28           HA       GLU  28   6.120  -7.186  -5.860
  194    HB2  GLU  28           HB2      GLU  28   4.212  -5.511  -5.763
  195    HB3  GLU  28           HB1      GLU  28   4.957  -4.868  -4.300
  196    HG2  GLU  28           HG2      GLU  28   5.619  -3.528  -6.156
  197    HG3  GLU  28           HG1      GLU  28   7.020  -4.452  -5.611
  198    H    HIS  29           HN       HIS  29   5.616  -7.197  -2.459
  199    HA   HIS  29           HA       HIS  29   7.027  -7.679  -0.779
  200    HB2  HIS  29           HB2      HIS  29   8.215  -9.037  -2.574
  201    HB3  HIS  29           HB1      HIS  29   9.316  -7.676  -2.746
  202    HD1  HIS  29           HD1      HIS  29   8.119 -10.059  -0.041
  203    HD2  HIS  29           HD2      HIS  29  11.436  -7.766  -1.049
  204    HE1  HIS  29           HE1      HIS  29   9.877 -10.623   1.664
  205    HE2  HIS  29           HE2      HIS  29  11.926  -9.367   0.919
  206    H    LEU  30           HN       LEU  30   6.316  -5.033  -1.303
  207    HA   LEU  30           HA       LEU  30   8.477  -3.278  -1.249
  208    HB2  LEU  30           HB2      LEU  30   5.642  -2.929  -0.326
  209    HB3  LEU  30           HB1      LEU  30   6.832  -1.646  -0.253
  210    HG   LEU  30           HG       LEU  30   7.184  -1.954  -2.699
  211   HD11  LEU  30          HD11      LEU  30   5.450  -3.105  -3.913
  212   HD12  LEU  30          HD12      LEU  30   4.781  -3.650  -2.370
  213   HD13  LEU  30          HD13      LEU  30   6.402  -4.148  -2.854
  214   HD21  LEU  30          HD21      LEU  30   5.256  -0.714  -3.392
  215   HD22  LEU  30          HD22      LEU  30   5.715  -0.152  -1.780
  216   HD23  LEU  30          HD23      LEU  30   4.350  -1.252  -1.980
  217    H    LEU  31           HN       LEU  31   8.171  -1.575   0.780
  218    HA   LEU  31           HA       LEU  31   9.596  -3.089   2.819
  219    HB2  LEU  31           HB2      LEU  31   9.301  -0.097   2.795
  220    HB3  LEU  31           HB1      LEU  31  10.578  -1.078   3.495
  221    HG   LEU  31           HG       LEU  31  10.078  -0.606   0.564
  222   HD11  LEU  31          HD11      LEU  31  11.182   1.231   1.749
  223   HD12  LEU  31          HD12      LEU  31  12.265   0.447   0.598
  224   HD13  LEU  31          HD13      LEU  31  12.417   0.111   2.324
  225   HD21  LEU  31          HD21      LEU  31  10.758  -2.888   0.835
  226   HD22  LEU  31          HD22      LEU  31  12.077  -2.414   1.910
  227   HD23  LEU  31          HD23      LEU  31  12.119  -1.957   0.206
  228    H    SER  32           HN       SER  32   6.927  -0.695   2.750
  229    HA   SER  32           HA       SER  32   6.267  -1.548   5.499
  230    HB2  SER  32           HB2      SER  32   5.526   0.792   3.803
  231    HB3  SER  32           HB1      SER  32   4.522   0.347   5.168
  232    HG   SER  32           HG       SER  32   6.693   1.794   5.203
  233    H    GLY  33           HN       GLY  33   4.965  -1.413   2.314
  234    HA2  GLY  33           HA2      GLY  33   3.511  -2.773   1.233
  235    HA3  GLY  33           HA1      GLY  33   3.722  -3.913   2.536
  236    H    ARG  34           HN       ARG  34   2.237  -0.676   2.807
  237    HA   ARG  34           HA       ARG  34  -0.203  -2.095   3.566
  238    HB2  ARG  34           HB2      ARG  34   1.237   0.261   4.385
  239    HB3  ARG  34           HB1      ARG  34  -0.451   0.657   4.118
  240    HG2  ARG  34           HG2      ARG  34  -1.041  -1.181   5.697
  241    HG3  ARG  34           HG1      ARG  34   0.686  -1.429   5.981
  242    HD2  ARG  34           HD2      ARG  34   0.930   0.780   6.865
  243    HD3  ARG  34           HD1      ARG  34  -0.717   1.221   6.389
  244    HE   ARG  34           HE       ARG  34  -1.409  -0.553   8.061
  245   HH11  ARG  34          HH11      ARG  34   1.607   1.204   8.370
  246   HH12  ARG  34          HH12      ARG  34   1.624   1.113  10.099
  247   HH21  ARG  34          HH21      ARG  34  -1.398  -0.658  10.331
  248   HH22  ARG  34          HH22      ARG  34  -0.091   0.059  11.219
  249    H    CYS  35           HN       CYS  35  -0.704  -2.509   1.162
  250    HA   CYS  35           HA       CYS  35  -1.799  -0.155  -0.193
  251    HB2  CYS  35           HB2      CYS  35  -0.667  -1.227  -1.842
  252    HB3  CYS  35           HB1      CYS  35  -0.891  -2.809  -1.106
  253    H    ARG  36           HN       ARG  36  -3.909   0.426   0.060
  254    HA   ARG  36           HA       ARG  36  -5.873  -1.594  -0.646
  255    HB2  ARG  36           HB2      ARG  36  -6.772   0.095   1.642
  256    HB3  ARG  36           HB1      ARG  36  -7.328  -1.477   1.113
  257    HG2  ARG  36           HG2      ARG  36  -5.370  -2.517   2.058
  258    HG3  ARG  36           HG1      ARG  36  -4.792  -0.926   2.569
  259    HD2  ARG  36           HD2      ARG  36  -6.600  -0.650   4.067
  260    HD3  ARG  36           HD1      ARG  36  -7.426  -2.055   3.410
  261    HE   ARG  36           HE       ARG  36  -4.863  -2.606   4.613
  262   HH11  ARG  36          HH11      ARG  36  -8.304  -2.302   5.161
  263   HH12  ARG  36          HH12      ARG  36  -8.310  -3.342   6.542
  264   HH21  ARG  36          HH21      ARG  36  -4.859  -3.970   6.445
  265   HH22  ARG  36          HH22      ARG  36  -6.346  -4.273   7.285
  266    H    ASP  37           HN       ASP  37  -8.090  -0.554  -0.671
  267    HA   ASP  37           HA       ASP  37  -8.120   2.335  -1.047
  268    HB2  ASP  37           HB2      ASP  37  -8.084   1.278  -3.320
  269    HB3  ASP  37           HB1      ASP  37  -9.524   0.367  -2.885
  270    H    ASP  38           HN       ASP  38 -10.324   3.159  -0.637
  271    HA   ASP  38           HA       ASP  38 -12.118   3.358   0.748
  272    HB2  ASP  38           HB2      ASP  38 -12.925   1.210  -0.300
  273    HB3  ASP  38           HB1      ASP  38 -12.148   0.342   1.027
  274    H    PHE  39           HN       PHE  39  -9.952   0.797   1.831
  275    HA   PHE  39           HA       PHE  39 -10.052   1.794   4.581
  276    HB2  PHE  39           HB2      PHE  39  -8.423  -0.529   3.634
  277    HB3  PHE  39           HB1      PHE  39  -9.125  -0.263   5.218
  278    HD1  PHE  39           HD1      PHE  39 -11.705  -0.331   5.348
  279    HD2  PHE  39           HD2      PHE  39  -9.439  -1.941   2.117
  280    HE1  PHE  39           HE1      PHE  39 -13.608  -1.765   4.735
  281    HE2  PHE  39           HE2      PHE  39 -11.345  -3.370   1.499
  282    HZ   PHE  39           HZ       PHE  39 -13.428  -3.285   2.808
  283    H    ARG  40           HN       ARG  40  -7.677   1.822   5.643
  284    HA   ARG  40           HA       ARG  40  -6.104   3.391   3.701
  285    HB2  ARG  40           HB2      ARG  40  -6.853   4.029   6.546
  286    HB3  ARG  40           HB1      ARG  40  -5.489   4.805   5.763
  287    HG2  ARG  40           HG2      ARG  40  -6.914   5.786   4.109
  288    HG3  ARG  40           HG1      ARG  40  -8.303   4.869   4.700
  289    HD2  ARG  40           HD2      ARG  40  -6.773   6.865   6.360
  290    HD3  ARG  40           HD1      ARG  40  -8.227   7.259   5.443
  291    HE   ARG  40           HE       ARG  40  -9.050   5.182   6.928
  292   HH11  ARG  40          HH11      ARG  40  -7.272   8.064   7.821
  293   HH12  ARG  40          HH12      ARG  40  -8.002   8.179   9.386
  294   HH21  ARG  40          HH21      ARG  40  -9.994   5.318   8.987
  295   HH22  ARG  40          HH22      ARG  40  -9.544   6.606  10.059
  296    H    CYS  41           HN       CYS  41  -4.272   2.430   3.346
  297    HA   CYS  41           HA       CYS  41  -2.624   1.669   5.626
  298    HB2  CYS  41           HB2      CYS  41  -3.506  -0.010   3.362
  299    HB3  CYS  41           HB1      CYS  41  -1.853  -0.227   3.875
  300    H    TRP  42           HN       TRP  42  -0.488   2.457   5.504
  301    HA   TRP  42           HA       TRP  42   0.364   3.966   3.161
  302    HB2  TRP  42           HB2      TRP  42   1.751   3.456   5.801
  303    HB3  TRP  42           HB1      TRP  42   2.327   4.553   4.557
  304    HD1  TRP  42           HD1      TRP  42  -0.486   4.202   7.153
  305    HE1  TRP  42           HE1      TRP  42  -1.440   6.542   7.637
  306    HE3  TRP  42           HE3      TRP  42   2.111   6.870   3.657
  307    HZ2  TRP  42           HZ2      TRP  42  -1.125   9.175   6.655
  308    HZ3  TRP  42           HZ3      TRP  42   1.731   9.280   3.490
  309    HH2  TRP  42           HH2      TRP  42   0.141  10.416   4.948
  310    H    CYS  43           HN       CYS  43   1.278   2.754   1.441
  311    HA   CYS  43           HA       CYS  43   3.082   0.576   2.248
  312    HB2  CYS  43           HB2      CYS  43   1.260   0.092   0.549
  313    HB3  CYS  43           HB1      CYS  43   2.177   1.072  -0.598
  314    H    THR  44           HN       THR  44   5.187   0.640   1.977
  315    HA   THR  44           HA       THR  44   6.350   3.133   0.940
  316    HB   THR  44           HB       THR  44   7.529   1.214   2.955
  317    HG1  THR  44           HG1      THR  44   5.843   3.414   3.227
  318   HG21  THR  44          HG21      THR  44   9.104   3.035   3.412
  319   HG22  THR  44          HG22      THR  44   8.371   3.988   2.119
  320   HG23  THR  44          HG23      THR  44   9.209   2.484   1.740
  321    H    ASN  45           HN       ASN  45   7.634   3.021  -0.759
  322    HA   ASN  45           HA       ASN  45   9.516   0.843  -1.074
  323    HB2  ASN  45           HB2      ASN  45   7.411   0.189  -2.363
  324    HB3  ASN  45           HB1      ASN  45   7.754   1.541  -3.430
  325   HD21  ASN  45          HD21      ASN  45   8.924  -1.541  -2.252
  326   HD22  ASN  45          HD22      ASN  45   9.961  -1.875  -3.591
  327    H    ARG  46           HN       ARG  46  10.647   1.541  -3.489
  328    HA   ARG  46           HA       ARG  46  11.567   4.255  -2.865
  329    HB2  ARG  46           HB2      ARG  46  12.881   2.425  -4.858
  330    HB3  ARG  46           HB1      ARG  46  13.588   3.752  -3.956
  331    HG2  ARG  46           HG2      ARG  46  14.489   2.042  -2.787
  332    HG3  ARG  46           HG1      ARG  46  12.965   2.173  -1.910
  333    HD2  ARG  46           HD2      ARG  46  12.006   0.427  -3.318
  334    HD3  ARG  46           HD1      ARG  46  13.523   0.295  -4.201
  335    HE   ARG  46           HE       ARG  46  13.983  -0.086  -1.444
  336   HH11  ARG  46          HH11      ARG  46  12.598  -1.682  -4.234
  337   HH12  ARG  46          HH12      ARG  46  12.887  -3.278  -3.627
  338   HH21  ARG  46          HH21      ARG  46  14.380  -2.183  -0.641
  339   HH22  ARG  46          HH22      ARG  46  13.916  -3.564  -1.582
  340    H    CYS  47           HN       CYS  47  10.807   5.878  -4.072
  341    HA   CYS  47           HA       CYS  47   9.360   5.208  -6.497
  342    HB2  CYS  47           HB2      CYS  47   8.543   7.551  -6.388
  343    HB3  CYS  47           HB1      CYS  47   8.193   6.626  -4.935
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  13.164   6.711   7.143
    2    H2   LYS   1           HT2      LYS   1  12.874   7.751   5.842
    3    H3   LYS   1           HT3      LYS   1  14.230   6.743   5.832
    4    HA   LYS   1           HA       LYS   1  12.883   4.803   5.688
    5    HB2  LYS   1           HB2      LYS   1  10.486   4.899   5.541
    6    HB3  LYS   1           HB1      LYS   1  10.976   5.748   6.999
    7    HG2  LYS   1           HG2      LYS   1  10.657   7.874   5.917
    8    HG3  LYS   1           HG1      LYS   1  10.284   7.073   4.391
    9    HD2  LYS   1           HD2      LYS   1   8.361   5.962   5.560
   10    HD3  LYS   1           HD1      LYS   1   8.686   7.006   6.944
   11    HE2  LYS   1           HE2      LYS   1   8.023   7.938   4.154
   12    HE3  LYS   1           HE1      LYS   1   6.900   7.889   5.510
   13    HZ1  LYS   1           HZ1      LYS   1   7.773  10.100   5.202
   14    HZ2  LYS   1           HZ2      LYS   1   9.361   9.539   5.344
   15    HZ3  LYS   1           HZ3      LYS   1   8.319   9.475   6.675
   16    H    THR   2           HN       THR   2  11.225   4.424   3.660
   17    HA   THR   2           HA       THR   2  12.536   5.790   1.424
   18    HB   THR   2           HB       THR   2  11.324   3.858   0.172
   19    HG1  THR   2           HG1      THR   2  11.784   2.387   2.487
   20   HG21  THR   2          HG21      THR   2  13.741   4.126   0.292
   21   HG22  THR   2          HG22      THR   2  13.297   2.434   0.510
   22   HG23  THR   2          HG23      THR   2  13.751   3.413   1.904
   23    H    CYS   3           HN       CYS   3  10.937   5.771  -0.582
   24    HA   CYS   3           HA       CYS   3   9.069   7.784  -0.118
   25    HB2  CYS   3           HB2      CYS   3   8.990   5.777  -2.381
   26    HB3  CYS   3           HB1      CYS   3   8.307   7.399  -2.379
   27    H    GLU   4           HN       GLU   4   7.287   7.657   1.041
   28    HA   GLU   4           HA       GLU   4   5.745   5.154   1.003
   29    HB2  GLU   4           HB2      GLU   4   6.964   5.388   3.124
   30    HB3  GLU   4           HB1      GLU   4   6.265   6.981   3.353
   31    HG2  GLU   4           HG2      GLU   4   4.018   5.944   3.451
   32    HG3  GLU   4           HG1      GLU   4   4.783   4.351   3.358
   33    H    ASN   5           HN       ASN   5   3.595   5.352   0.769
   34    HA   ASN   5           HA       ASN   5   2.377   7.908   1.397
   35    HB2  ASN   5           HB2      ASN   5   1.166   8.125  -0.636
   36    HB3  ASN   5           HB1      ASN   5   2.847   7.904  -1.077
   37   HD21  ASN   5          HD21      ASN   5  -0.290   6.395  -0.898
   38   HD22  ASN   5          HD22      ASN   5   0.027   5.152  -2.065
   39    H    LEU   6           HN       LEU   6   0.161   7.777   1.724
   40    HA   LEU   6           HA       LEU   6  -0.718   5.173   2.651
   41    HB2  LEU   6           HB2      LEU   6  -1.033   7.702   3.631
   42    HB3  LEU   6           HB1      LEU   6  -2.555   7.473   2.794
   43    HG   LEU   6           HG       LEU   6  -1.436   5.730   5.036
   44   HD11  LEU   6          HD11      LEU   6  -3.382   6.571   6.272
   45   HD12  LEU   6          HD12      LEU   6  -3.841   7.581   4.903
   46   HD13  LEU   6          HD13      LEU   6  -2.338   7.899   5.768
   47   HD21  LEU   6          HD21      LEU   6  -2.586   4.205   3.796
   48   HD22  LEU   6          HD22      LEU   6  -3.751   5.400   3.188
   49   HD23  LEU   6          HD23      LEU   6  -3.857   4.834   4.856
   50    H    SER   7           HN       SER   7  -2.098   3.930   1.503
   51    HA   SER   7           HA       SER   7  -2.727   4.844  -1.175
   52    HB2  SER   7           HB2      SER   7  -3.023   2.102   0.062
   53    HB3  SER   7           HB1      SER   7  -3.080   2.498  -1.650
   54    HG   SER   7           HG       SER   7  -0.917   3.050  -1.578
   55    H    GLY   8           HN       GLY   8  -4.766   4.523  -2.143
   56    HA2  GLY   8           HA2      GLY   8  -7.022   3.661  -2.017
   57    HA3  GLY   8           HA1      GLY   8  -7.022   4.042  -0.300
   58    H    THR   9           HN       THR   9  -8.176   5.753   0.202
   59    HA   THR   9           HA       THR   9  -9.043   7.693  -1.664
   60    HB   THR   9           HB       THR   9 -10.202   7.280   0.503
   61    HG1  THR   9           HG1      THR   9  -9.986   9.503  -0.724
   62   HG21  THR   9          HG21      THR   9  -9.336   8.268   2.562
   63   HG22  THR   9          HG22      THR   9  -7.867   8.760   1.717
   64   HG23  THR   9          HG23      THR   9  -8.226   7.047   1.937
   65    H    PHE  10           HN       PHE  10  -6.257   7.321   0.340
   66    HA   PHE  10           HA       PHE  10  -5.222   9.968  -0.260
   67    HB2  PHE  10           HB2      PHE  10  -4.318   7.704   1.499
   68    HB3  PHE  10           HB1      PHE  10  -3.250   9.047   1.121
   69    HD1  PHE  10           HD1      PHE  10  -4.063  11.380   1.663
   70    HD2  PHE  10           HD2      PHE  10  -5.832   7.857   3.243
   71    HE1  PHE  10           HE1      PHE  10  -5.057  12.707   3.489
   72    HE2  PHE  10           HE2      PHE  10  -6.832   9.169   5.075
   73    HZ   PHE  10           HZ       PHE  10  -6.443  11.600   5.197
   74    H    LYS  11           HN       LYS  11  -3.739  10.377  -1.762
   75    HA   LYS  11           HA       LYS  11  -2.011  10.176  -3.204
   76    HB2  LYS  11           HB2      LYS  11  -1.218   8.196  -1.079
   77    HB3  LYS  11           HB1      LYS  11  -0.143   8.691  -2.374
   78    HG2  LYS  11           HG2      LYS  11   0.484  10.035  -0.596
   79    HG3  LYS  11           HG1      LYS  11  -0.559  11.084  -1.541
   80    HD2  LYS  11           HD2      LYS  11  -2.410  10.535  -0.006
   81    HD3  LYS  11           HD1      LYS  11  -1.301   9.574   0.980
   82    HE2  LYS  11           HE2      LYS  11  -1.662  11.844   1.876
   83    HE3  LYS  11           HE1      LYS  11   0.020  11.536   1.457
   84    HZ1  LYS  11           HZ1      LYS  11  -1.906  13.014  -0.250
   85    HZ2  LYS  11           HZ2      LYS  11  -0.260  12.787  -0.561
   86    HZ3  LYS  11           HZ3      LYS  11  -0.749  13.736   0.749
   87    H    GLY  12           HN       GLY  12  -4.284   8.343  -3.852
   88    HA2  GLY  12           HA2      GLY  12  -4.349   7.166  -5.943
   89    HA3  GLY  12           HA1      GLY  12  -2.716   6.603  -5.638
   90    HA   PRO  13           HA       PRO  13  -6.214   3.846  -3.717
   91    HB2  PRO  13           HB2      PRO  13  -7.510   2.690  -5.775
   92    HB3  PRO  13           HB1      PRO  13  -8.004   4.250  -5.105
   93    HG2  PRO  13           HG2      PRO  13  -6.387   3.665  -7.553
   94    HG3  PRO  13           HG1      PRO  13  -7.698   4.837  -7.335
   95    HD2  PRO  13           HD2      PRO  13  -5.059   5.506  -7.273
   96    HD3  PRO  13           HD1      PRO  13  -6.308   6.392  -6.376
   97    H    CYS  14           HN       CYS  14  -6.168   1.579  -3.483
   98    HA   CYS  14           HA       CYS  14  -4.286   0.152  -5.219
   99    HB2  CYS  14           HB2      CYS  14  -2.988   0.322  -3.301
  100    HB3  CYS  14           HB1      CYS  14  -4.375   0.206  -2.219
  101    H    ILE  15           HN       ILE  15  -6.319  -1.055  -2.510
  102    HA   ILE  15           HA       ILE  15  -8.009  -2.483  -4.411
  103    HB   ILE  15           HB       ILE  15  -7.621  -4.666  -3.323
  104   HG12  ILE  15          HG12      ILE  15  -5.310  -3.225  -1.998
  105   HG13  ILE  15          HG11      ILE  15  -6.736  -3.882  -1.198
  106   HG21  ILE  15          HG21      ILE  15  -5.168  -3.460  -4.590
  107   HG22  ILE  15          HG22      ILE  15  -6.533  -4.187  -5.436
  108   HG23  ILE  15          HG23      ILE  15  -5.494  -5.185  -4.420
  109   HD11  ILE  15          HD11      ILE  15  -4.633  -5.467  -2.639
  110   HD12  ILE  15          HD12      ILE  15  -6.070  -6.129  -1.863
  111   HD13  ILE  15          HD13      ILE  15  -4.834  -5.331  -0.893
  112    HA   PRO  16           HA       PRO  16 -10.887  -1.746  -1.165
  113    HB2  PRO  16           HB2      PRO  16 -12.989  -3.132  -2.089
  114    HB3  PRO  16           HB1      PRO  16 -12.392  -1.685  -2.905
  115    HG2  PRO  16           HG2      PRO  16 -12.011  -4.552  -3.613
  116    HG3  PRO  16           HG1      PRO  16 -12.243  -3.154  -4.675
  117    HD2  PRO  16           HD2      PRO  16  -9.802  -4.352  -4.084
  118    HD3  PRO  16           HD1      PRO  16 -10.009  -2.722  -4.747
  119    H    ASP  17           HN       ASP  17  -9.415  -4.719  -1.518
  120    HA   ASP  17           HA       ASP  17 -11.125  -6.311   0.128
  121    HB2  ASP  17           HB2      ASP  17  -8.321  -6.693  -0.895
  122    HB3  ASP  17           HB1      ASP  17  -9.112  -7.875   0.142
  123    H    GLY  18           HN       GLY  18  -8.535  -4.103   0.773
  124    HA2  GLY  18           HA2      GLY  18  -8.132  -3.053   2.785
  125    HA3  GLY  18           HA1      GLY  18  -9.262  -4.148   3.561
  126    H    ASN  19           HN       ASN  19  -7.120  -5.951   1.921
  127    HA   ASN  19           HA       ASN  19  -5.533  -6.550   4.273
  128    HB2  ASN  19           HB2      ASN  19  -4.706  -8.377   2.531
  129    HB3  ASN  19           HB1      ASN  19  -6.244  -8.551   3.369
  130   HD21  ASN  19          HD21      ASN  19  -5.677  -6.235   0.828
  131   HD22  ASN  19          HD22      ASN  19  -6.773  -6.927  -0.303
  132    H    CYS  20           HN       CYS  20  -4.677  -4.296   3.839
  133    HA   CYS  20           HA       CYS  20  -3.272  -3.552   1.613
  134    HB2  CYS  20           HB2      CYS  20  -2.124  -1.945   3.172
  135    HB3  CYS  20           HB1      CYS  20  -3.879  -1.892   3.180
  136    H    ASN  21           HN       ASN  21  -2.083  -5.235   4.480
  137    HA   ASN  21           HA       ASN  21   0.628  -4.743   3.919
  138    HB2  ASN  21           HB2      ASN  21  -0.682  -5.637   6.100
  139    HB3  ASN  21           HB1      ASN  21  -0.001  -7.150   5.506
  140   HD21  ASN  21          HD21      ASN  21   1.474  -4.007   5.048
  141   HD22  ASN  21          HD22      ASN  21   2.836  -4.287   6.080
  142    H    LYS  22           HN       LYS  22  -1.243  -7.749   3.578
  143    HA   LYS  22           HA       LYS  22   0.903  -9.168   2.457
  144    HB2  LYS  22           HB2      LYS  22  -1.266 -10.504   1.480
  145    HB3  LYS  22           HB1      LYS  22  -0.557 -10.752   3.068
  146    HG2  LYS  22           HG2      LYS  22  -2.194  -9.332   4.086
  147    HG3  LYS  22           HG1      LYS  22  -2.833  -8.849   2.510
  148    HD2  LYS  22           HD2      LYS  22  -3.828 -10.907   2.148
  149    HD3  LYS  22           HD1      LYS  22  -2.753 -11.739   3.272
  150    HE2  LYS  22           HE2      LYS  22  -4.798  -9.716   4.150
  151    HE3  LYS  22           HE1      LYS  22  -5.146 -11.440   4.031
  152    HZ1  LYS  22           HZ1      LYS  22  -3.407 -11.879   5.628
  153    HZ2  LYS  22           HZ2      LYS  22  -4.516 -10.780   6.279
  154    HZ3  LYS  22           HZ3      LYS  22  -3.017 -10.235   5.717
  155    H    HIS  23           HN       HIS  23  -1.559  -7.140   0.914
  156    HA   HIS  23           HA       HIS  23  -1.159  -8.122  -1.692
  157    HB2  HIS  23           HB2      HIS  23  -3.031  -6.601  -1.078
  158    HB3  HIS  23           HB1      HIS  23  -1.874  -5.275  -0.977
  159    HD1  HIS  23           HD1      HIS  23  -1.560  -3.987  -3.087
  160    HD2  HIS  23           HD2      HIS  23  -3.036  -7.802  -3.807
  161    HE1  HIS  23           HE1      HIS  23  -1.979  -4.093  -5.557
  162    HE2  HIS  23           HE2      HIS  23  -2.684  -6.468  -5.991
  163    H    CYS  24           HN       CYS  24   0.323  -5.287  -0.102
  164    HA   CYS  24           HA       CYS  24   2.018  -4.693  -2.286
  165    HB2  CYS  24           HB2      CYS  24   1.956  -3.923   0.584
  166    HB3  CYS  24           HB1      CYS  24   3.452  -3.690  -0.297
  167    H    ARG  25           HN       ARG  25   2.377  -6.800   0.502
  168    HA   ARG  25           HA       ARG  25   5.254  -6.871   0.178
  169    HB2  ARG  25           HB2      ARG  25   3.461  -8.214   2.195
  170    HB3  ARG  25           HB1      ARG  25   5.216  -8.143   2.273
  171    HG2  ARG  25           HG2      ARG  25   3.456  -5.719   2.205
  172    HG3  ARG  25           HG1      ARG  25   4.044  -6.468   3.693
  173    HD2  ARG  25           HD2      ARG  25   6.089  -5.938   1.654
  174    HD3  ARG  25           HD1      ARG  25   5.344  -4.483   2.353
  175    HE   ARG  25           HE       ARG  25   5.987  -5.385   4.566
  176   HH11  ARG  25          HH11      ARG  25   7.725  -6.556   1.761
  177   HH12  ARG  25          HH12      ARG  25   9.073  -7.128   2.685
  178   HH21  ARG  25          HH21      ARG  25   7.765  -6.145   5.776
  179   HH22  ARG  25          HH22      ARG  25   9.102  -6.884   4.950
  180    H    ASN  26           HN       ASN  26   2.548  -9.083  -0.207
  181    HA   ASN  26           HA       ASN  26   4.278 -11.318  -0.770
  182    HB2  ASN  26           HB2      ASN  26   1.296 -10.960  -1.021
  183    HB3  ASN  26           HB1      ASN  26   2.121 -12.460  -1.386
  184   HD21  ASN  26          HD21      ASN  26   4.019 -11.946   0.863
  185   HD22  ASN  26          HD22      ASN  26   3.135 -12.353   2.289
  186    H    ASN  27           HN       ASN  27   2.354  -9.022  -2.600
  187    HA   ASN  27           HA       ASN  27   2.777 -10.502  -5.052
  188    HB2  ASN  27           HB2      ASN  27   1.332  -7.891  -4.571
  189    HB3  ASN  27           HB1      ASN  27   1.327  -8.802  -6.078
  190   HD21  ASN  27          HD21      ASN  27   0.259  -8.743  -2.757
  191   HD22  ASN  27          HD22      ASN  27  -0.977  -9.942  -2.927
  192    H    GLU  28           HN       GLU  28   3.543  -7.204  -3.873
  193    HA   GLU  28           HA       GLU  28   5.418  -6.979  -6.122
  194    HB2  GLU  28           HB2      GLU  28   3.592  -5.247  -5.756
  195    HB3  GLU  28           HB1      GLU  28   4.486  -4.737  -4.333
  196    HG2  GLU  28           HG2      GLU  28   5.001  -3.290  -6.171
  197    HG3  GLU  28           HG1      GLU  28   6.428  -4.239  -5.757
  198    H    HIS  29           HN       HIS  29   5.232  -7.162  -2.690
  199    HA   HIS  29           HA       HIS  29   6.761  -7.609  -1.121
  200    HB2  HIS  29           HB2      HIS  29   7.845  -8.914  -3.079
  201    HB3  HIS  29           HB1      HIS  29   8.974  -7.567  -3.154
  202    HD1  HIS  29           HD1      HIS  29   7.769 -10.209  -0.721
  203    HD2  HIS  29           HD2      HIS  29  11.027  -7.704  -1.352
  204    HE1  HIS  29           HE1      HIS  29   9.477 -10.874   0.999
  205    HE2  HIS  29           HE2      HIS  29  11.490  -9.444   0.509
  206    H    LEU  30           HN       LEU  30   5.946  -5.038  -1.503
  207    HA   LEU  30           HA       LEU  30   8.149  -3.239  -1.684
  208    HB2  LEU  30           HB2      LEU  30   5.431  -2.698  -0.501
  209    HB3  LEU  30           HB1      LEU  30   6.632  -1.502  -0.946
  210    HG   LEU  30           HG       LEU  30   4.888  -3.168  -2.729
  211   HD11  LEU  30          HD11      LEU  30   4.100  -0.952  -2.005
  212   HD12  LEU  30          HD12      LEU  30   4.397  -1.023  -3.746
  213   HD13  LEU  30          HD13      LEU  30   5.562  -0.233  -2.687
  214   HD21  LEU  30          HD21      LEU  30   7.424  -1.755  -3.536
  215   HD22  LEU  30          HD22      LEU  30   6.213  -2.393  -4.647
  216   HD23  LEU  30          HD23      LEU  30   7.117  -3.490  -3.607
  217    H    LEU  31           HN       LEU  31   7.854  -1.472   0.427
  218    HA   LEU  31           HA       LEU  31   9.505  -3.031   2.246
  219    HB2  LEU  31           HB2      LEU  31   9.118  -0.052   2.112
  220    HB3  LEU  31           HB1      LEU  31  10.419  -0.909   2.921
  221    HG   LEU  31           HG       LEU  31   9.904  -0.708  -0.030
  222   HD11  LEU  31          HD11      LEU  31  11.090   1.172   0.967
  223   HD12  LEU  31          HD12      LEU  31  12.147   0.240  -0.095
  224   HD13  LEU  31          HD13      LEU  31  12.276   0.064   1.655
  225   HD21  LEU  31          HD21      LEU  31  11.903  -2.153  -0.299
  226   HD22  LEU  31          HD22      LEU  31  10.481  -2.970   0.350
  227   HD23  LEU  31          HD23      LEU  31  11.807  -2.518   1.425
  228    H    SER  32           HN       SER  32   6.903  -0.582   2.653
  229    HA   SER  32           HA       SER  32   6.453  -1.726   5.338
  230    HB2  SER  32           HB2      SER  32   5.753   0.829   4.002
  231    HB3  SER  32           HB1      SER  32   4.637   0.224   5.216
  232    HG   SER  32           HG       SER  32   7.225   1.210   5.482
  233    H    GLY  33           HN       GLY  33   4.945  -1.247   2.282
  234    HA2  GLY  33           HA2      GLY  33   3.470  -2.516   1.147
  235    HA3  GLY  33           HA1      GLY  33   3.783  -3.784   2.301
  236    H    ARG  34           HN       ARG  34   2.193  -0.645   3.038
  237    HA   ARG  34           HA       ARG  34  -0.172  -2.294   3.603
  238    HB2  ARG  34           HB2      ARG  34  -0.022   0.640   4.275
  239    HB3  ARG  34           HB1      ARG  34  -0.950  -0.644   5.041
  240    HG2  ARG  34           HG2      ARG  34   0.953  -1.453   6.210
  241    HG3  ARG  34           HG1      ARG  34   2.027  -0.371   5.308
  242    HD2  ARG  34           HD2      ARG  34   1.663   0.816   7.305
  243    HD3  ARG  34           HD1      ARG  34   0.501   1.529   6.191
  244    HE   ARG  34           HE       ARG  34  -0.791  -0.564   7.496
  245   HH11  ARG  34          HH11      ARG  34   0.689   2.496   8.363
  246   HH12  ARG  34          HH12      ARG  34  -0.405   2.793   9.674
  247   HH21  ARG  34          HH21      ARG  34  -2.211  -0.179   9.232
  248   HH22  ARG  34          HH22      ARG  34  -2.047   1.269  10.174
  249    H    CYS  35           HN       CYS  35  -0.470  -2.256   0.943
  250    HA   CYS  35           HA       CYS  35  -1.940   0.235   0.497
  251    HB2  CYS  35           HB2      CYS  35  -1.679   0.171  -1.765
  252    HB3  CYS  35           HB1      CYS  35  -0.193  -0.586  -1.225
  253    H    ARG  36           HN       ARG  36  -4.001   0.464   0.337
  254    HA   ARG  36           HA       ARG  36  -5.707  -1.517  -0.797
  255    HB2  ARG  36           HB2      ARG  36  -7.338  -1.446   1.158
  256    HB3  ARG  36           HB1      ARG  36  -5.924  -2.455   1.365
  257    HG2  ARG  36           HG2      ARG  36  -4.899  -0.458   2.557
  258    HG3  ARG  36           HG1      ARG  36  -6.535   0.189   2.607
  259    HD2  ARG  36           HD2      ARG  36  -7.286  -1.854   3.743
  260    HD3  ARG  36           HD1      ARG  36  -5.646  -2.474   3.743
  261    HE   ARG  36           HE       ARG  36  -5.653   0.063   4.956
  262   HH11  ARG  36          HH11      ARG  36  -6.830  -3.176   5.620
  263   HH12  ARG  36          HH12      ARG  36  -6.873  -2.928   7.337
  264   HH21  ARG  36          HH21      ARG  36  -5.716   0.371   7.217
  265   HH22  ARG  36          HH22      ARG  36  -6.236  -0.931   8.239
  266    H    ASP  37           HN       ASP  37  -8.126  -0.515  -0.521
  267    HA   ASP  37           HA       ASP  37  -7.805   2.333  -1.177
  268    HB2  ASP  37           HB2      ASP  37  -7.947   1.201  -3.277
  269    HB3  ASP  37           HB1      ASP  37  -9.328   0.252  -2.734
  270    H    ASP  38           HN       ASP  38 -10.396  -0.075  -0.681
  271    HA   ASP  38           HA       ASP  38 -12.292   1.820   0.188
  272    HB2  ASP  38           HB2      ASP  38 -12.816  -0.512  -0.595
  273    HB3  ASP  38           HB1      ASP  38 -12.206  -1.109   0.946
  274    H    PHE  39           HN       PHE  39  -9.665   0.251   1.690
  275    HA   PHE  39           HA       PHE  39 -10.184   1.756   4.165
  276    HB2  PHE  39           HB2      PHE  39  -8.558  -0.767   3.967
  277    HB3  PHE  39           HB1      PHE  39  -9.064   0.049   5.426
  278    HD1  PHE  39           HD1      PHE  39  -9.924  -2.405   2.901
  279    HD2  PHE  39           HD2      PHE  39 -11.461   0.011   6.075
  280    HE1  PHE  39           HE1      PHE  39 -11.926  -3.825   3.031
  281    HE2  PHE  39           HE2      PHE  39 -13.455  -1.422   6.200
  282    HZ   PHE  39           HZ       PHE  39 -13.685  -3.339   4.679
  283    H    ARG  40           HN       ARG  40  -7.908   2.283   5.223
  284    HA   ARG  40           HA       ARG  40  -6.179   3.049   2.963
  285    HB2  ARG  40           HB2      ARG  40  -5.737   5.188   4.101
  286    HB3  ARG  40           HB1      ARG  40  -7.435   4.989   3.700
  287    HG2  ARG  40           HG2      ARG  40  -7.802   4.239   6.067
  288    HG3  ARG  40           HG1      ARG  40  -6.142   4.739   6.400
  289    HD2  ARG  40           HD2      ARG  40  -7.644   6.520   7.012
  290    HD3  ARG  40           HD1      ARG  40  -6.713   7.009   5.597
  291    HE   ARG  40           HE       ARG  40  -9.053   5.885   4.639
  292   HH11  ARG  40          HH11      ARG  40  -8.150   8.607   6.641
  293   HH12  ARG  40          HH12      ARG  40  -9.536   9.554   6.201
  294   HH21  ARG  40          HH21      ARG  40 -10.878   7.129   4.052
  295   HH22  ARG  40          HH22      ARG  40 -11.089   8.714   4.725
  296    H    CYS  41           HN       CYS  41  -4.204   2.385   3.082
  297    HA   CYS  41           HA       CYS  41  -2.913   1.963   5.680
  298    HB2  CYS  41           HB2      CYS  41  -3.809  -0.006   3.871
  299    HB3  CYS  41           HB1      CYS  41  -2.060  -0.021   3.806
  300    H    TRP  42           HN       TRP  42  -0.604   2.430   5.681
  301    HA   TRP  42           HA       TRP  42   0.419   3.999   3.454
  302    HB2  TRP  42           HB2      TRP  42   1.676   3.226   6.090
  303    HB3  TRP  42           HB1      TRP  42   2.445   4.264   4.903
  304    HD1  TRP  42           HD1      TRP  42  -0.237   4.272   7.599
  305    HE1  TRP  42           HE1      TRP  42  -0.942   6.704   8.058
  306    HE3  TRP  42           HE3      TRP  42   2.219   6.562   3.754
  307    HZ2  TRP  42           HZ2      TRP  42  -0.520   9.259   6.911
  308    HZ3  TRP  42           HZ3      TRP  42   2.017   8.985   3.495
  309    HH2  TRP  42           HH2      TRP  42   0.670  10.313   5.030
  310    H    CYS  43           HN       CYS  43   1.247   2.833   1.644
  311    HA   CYS  43           HA       CYS  43   3.050   0.602   2.335
  312    HB2  CYS  43           HB2      CYS  43   1.205   0.093   0.728
  313    HB3  CYS  43           HB1      CYS  43   1.959   1.195  -0.426
  314    H    THR  44           HN       THR  44   5.145   0.752   2.087
  315    HA   THR  44           HA       THR  44   6.253   3.222   0.951
  316    HB   THR  44           HB       THR  44   7.670   1.414   2.900
  317    HG1  THR  44           HG1      THR  44   6.598   3.603   4.073
  318   HG21  THR  44          HG21      THR  44   8.627   3.726   3.521
  319   HG22  THR  44          HG22      THR  44   8.010   4.219   1.940
  320   HG23  THR  44          HG23      THR  44   9.192   2.916   2.061
  321    H    ASN  45           HN       ASN  45   7.913   3.159  -0.487
  322    HA   ASN  45           HA       ASN  45   9.519   0.835  -0.948
  323    HB2  ASN  45           HB2      ASN  45   7.394   0.316  -2.218
  324    HB3  ASN  45           HB1      ASN  45   7.732   1.715  -3.228
  325   HD21  ASN  45          HD21      ASN  45   8.985  -1.406  -2.201
  326   HD22  ASN  45          HD22      ASN  45   9.890  -1.719  -3.639
  327    H    ARG  46           HN       ARG  46  10.678   1.491  -3.360
  328    HA   ARG  46           HA       ARG  46  11.754   4.153  -2.758
  329    HB2  ARG  46           HB2      ARG  46  12.919   2.170  -4.711
  330    HB3  ARG  46           HB1      ARG  46  13.708   3.553  -3.980
  331    HG2  ARG  46           HG2      ARG  46  14.631   1.981  -2.671
  332    HG3  ARG  46           HG1      ARG  46  13.126   2.154  -1.769
  333    HD2  ARG  46           HD2      ARG  46  12.163   0.286  -2.967
  334    HD3  ARG  46           HD1      ARG  46  13.614   0.132  -3.952
  335    HE   ARG  46           HE       ARG  46  14.379  -0.066  -1.282
  336   HH11  ARG  46          HH11      ARG  46  12.470  -1.882  -3.602
  337   HH12  ARG  46          HH12      ARG  46  12.787  -3.411  -2.850
  338   HH21  ARG  46          HH21      ARG  46  14.814  -2.080  -0.315
  339   HH22  ARG  46          HH22      ARG  46  14.130  -3.525  -0.990
  340    H    CYS  47           HN       CYS  47  11.156   5.817  -3.995
  341    HA   CYS  47           HA       CYS  47   9.681   5.225  -6.442
  342    HB2  CYS  47           HB2      CYS  47   8.875   7.557  -6.289
  343    HB3  CYS  47           HB1      CYS  47   8.515   6.629  -4.841
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  12.595   6.597   7.616
    2    H2   LYS   1           HT2      LYS   1  12.415   7.709   6.354
    3    H3   LYS   1           HT3      LYS   1  13.793   6.739   6.434
    4    HA   LYS   1           HA       LYS   1  12.513   4.773   6.049
    5    HB2  LYS   1           HB2      LYS   1  10.136   4.900   5.546
    6    HB3  LYS   1           HB1      LYS   1  10.444   5.562   7.145
    7    HG2  LYS   1           HG2      LYS   1  10.217   7.796   6.342
    8    HG3  LYS   1           HG1      LYS   1  10.148   7.241   4.671
    9    HD2  LYS   1           HD2      LYS   1   7.917   7.723   5.296
   10    HD3  LYS   1           HD1      LYS   1   8.060   5.967   5.312
   11    HE2  LYS   1           HE2      LYS   1   6.827   6.674   7.254
   12    HE3  LYS   1           HE1      LYS   1   8.400   6.061   7.764
   13    HZ1  LYS   1           HZ1      LYS   1   7.753   8.938   7.407
   14    HZ2  LYS   1           HZ2      LYS   1   9.189   8.296   8.032
   15    HZ3  LYS   1           HZ3      LYS   1   7.744   8.133   8.891
   16    H    THR   2           HN       THR   2  11.271   4.354   3.848
   17    HA   THR   2           HA       THR   2  12.595   5.994   1.824
   18    HB   THR   2           HB       THR   2  12.257   4.197   0.261
   19    HG1  THR   2           HG1      THR   2  10.324   3.330   0.883
   20   HG21  THR   2          HG21      THR   2  14.242   3.972   1.573
   21   HG22  THR   2          HG22      THR   2  13.523   2.372   1.412
   22   HG23  THR   2          HG23      THR   2  13.339   3.274   2.915
   23    H    CYS   3           HN       CYS   3  11.135   5.806  -0.324
   24    HA   CYS   3           HA       CYS   3   9.175   7.757   0.014
   25    HB2  CYS   3           HB2      CYS   3   9.194   5.791  -2.271
   26    HB3  CYS   3           HB1      CYS   3   8.694   7.480  -2.291
   27    H    GLU   4           HN       GLU   4   7.282   7.570   1.001
   28    HA   GLU   4           HA       GLU   4   5.835   5.015   0.797
   29    HB2  GLU   4           HB2      GLU   4   6.802   5.188   3.018
   30    HB3  GLU   4           HB1      GLU   4   6.157   6.810   3.207
   31    HG2  GLU   4           HG2      GLU   4   3.857   5.789   3.005
   32    HG3  GLU   4           HG1      GLU   4   4.640   4.211   3.162
   33    H    ASN   5           HN       ASN   5   3.665   5.151   0.447
   34    HA   ASN   5           HA       ASN   5   2.370   7.729   0.858
   35    HB2  ASN   5           HB2      ASN   5   1.338   7.838  -1.262
   36    HB3  ASN   5           HB1      ASN   5   3.035   7.536  -1.578
   37   HD21  ASN   5          HD21      ASN   5  -0.168   6.198  -1.575
   38   HD22  ASN   5          HD22      ASN   5   0.184   4.839  -2.595
   39    H    LEU   6           HN       LEU   6   0.130   7.603   1.019
   40    HA   LEU   6           HA       LEU   6  -0.808   5.070   2.084
   41    HB2  LEU   6           HB2      LEU   6  -1.155   7.590   2.940
   42    HB3  LEU   6           HB1      LEU   6  -2.569   7.456   1.916
   43    HG   LEU   6           HG       LEU   6  -1.898   5.733   4.329
   44   HD11  LEU   6          HD11      LEU   6  -4.162   7.669   3.784
   45   HD12  LEU   6          HD12      LEU   6  -2.767   7.982   4.818
   46   HD13  LEU   6          HD13      LEU   6  -3.922   6.724   5.254
   47   HD21  LEU   6          HD21      LEU   6  -4.021   5.465   2.229
   48   HD22  LEU   6          HD22      LEU   6  -4.232   4.851   3.866
   49   HD23  LEU   6          HD23      LEU   6  -2.908   4.241   2.873
   50    H    SER   7           HN       SER   7  -2.229   3.780   1.052
   51    HA   SER   7           HA       SER   7  -3.102   4.576  -1.612
   52    HB2  SER   7           HB2      SER   7  -3.693   2.059  -1.678
   53    HB3  SER   7           HB1      SER   7  -1.988   2.515  -1.696
   54    HG   SER   7           HG       SER   7  -1.842   2.011   0.468
   55    H    GLY   8           HN       GLY   8  -5.186   4.837  -2.134
   56    HA2  GLY   8           HA2      GLY   8  -7.486   3.822  -1.439
   57    HA3  GLY   8           HA1      GLY   8  -7.141   4.694   0.046
   58    H    THR   9           HN       THR   9  -8.448   6.423   0.072
   59    HA   THR   9           HA       THR   9  -9.082   8.006  -2.200
   60    HB   THR   9           HB       THR   9 -10.390   8.076  -0.074
   61    HG1  THR   9           HG1      THR   9  -9.973   9.996  -1.671
   62   HG21  THR   9          HG21      THR   9  -8.586   7.970   1.534
   63   HG22  THR   9          HG22      THR   9  -9.513   9.448   1.795
   64   HG23  THR   9          HG23      THR   9  -7.952   9.517   0.973
   65    H    PHE  10           HN       PHE  10  -6.438   7.717  -0.067
   66    HA   PHE  10           HA       PHE  10  -5.108  10.148  -0.895
   67    HB2  PHE  10           HB2      PHE  10  -4.508   7.905   1.007
   68    HB3  PHE  10           HB1      PHE  10  -3.221   8.984   0.488
   69    HD1  PHE  10           HD1      PHE  10  -3.019  11.149   1.340
   70    HD2  PHE  10           HD2      PHE  10  -6.429   8.799   2.279
   71    HE1  PHE  10           HE1      PHE  10  -3.657  12.778   3.073
   72    HE2  PHE  10           HE2      PHE  10  -7.082  10.419   4.013
   73    HZ   PHE  10           HZ       PHE  10  -5.693  12.415   4.410
   74    H    LYS  11           HN       LYS  11  -3.737  10.252  -2.580
   75    HA   LYS  11           HA       LYS  11  -2.206   9.694  -4.156
   76    HB2  LYS  11           HB2      LYS  11  -1.384   7.822  -1.941
   77    HB3  LYS  11           HB1      LYS  11  -0.400   8.162  -3.355
   78    HG2  LYS  11           HG2      LYS  11   0.468   9.546  -1.695
   79    HG3  LYS  11           HG1      LYS  11  -0.546  10.617  -2.648
   80    HD2  LYS  11           HD2      LYS  11  -2.324  10.364  -0.979
   81    HD3  LYS  11           HD1      LYS  11  -1.279   9.338   0.001
   82    HE2  LYS  11           HE2      LYS  11  -1.170  11.524   0.922
   83    HE3  LYS  11           HE1      LYS  11   0.343  11.258   0.062
   84    HZ1  LYS  11           HZ1      LYS  11  -0.595  13.458  -0.359
   85    HZ2  LYS  11           HZ2      LYS  11  -1.983  12.749  -1.016
   86    HZ3  LYS  11           HZ3      LYS  11  -0.490  12.543  -1.777
   87    H    GLY  12           HN       GLY  12  -4.699   8.230  -4.454
   88    HA2  GLY  12           HA2      GLY  12  -5.251   6.874  -6.297
   89    HA3  GLY  12           HA1      GLY  12  -3.637   6.191  -6.258
   90    HA   PRO  13           HA       PRO  13  -6.809   3.569  -3.839
   91    HB2  PRO  13           HB2      PRO  13  -7.896   2.203  -6.104
   92    HB3  PRO  13           HB1      PRO  13  -8.713   3.340  -5.032
   93    HG2  PRO  13           HG2      PRO  13  -8.173   3.822  -7.691
   94    HG3  PRO  13           HG1      PRO  13  -8.432   5.083  -6.473
   95    HD2  PRO  13           HD2      PRO  13  -5.859   4.007  -7.561
   96    HD3  PRO  13           HD1      PRO  13  -6.324   5.686  -7.210
   97    H    CYS  14           HN       CYS  14  -7.248   0.995  -4.237
   98    HA   CYS  14           HA       CYS  14  -5.125  -0.400  -5.530
   99    HB2  CYS  14           HB2      CYS  14  -4.250   0.614  -3.235
  100    HB3  CYS  14           HB1      CYS  14  -5.046  -0.805  -2.571
  101    H    ILE  15           HN       ILE  15  -7.189  -0.962  -2.614
  102    HA   ILE  15           HA       ILE  15  -8.743  -3.022  -3.909
  103    HB   ILE  15           HB       ILE  15  -7.890  -4.719  -2.072
  104   HG12  ILE  15          HG12      ILE  15  -5.480  -2.956  -2.569
  105   HG13  ILE  15          HG11      ILE  15  -6.333  -3.120  -1.039
  106   HG21  ILE  15          HG21      ILE  15  -6.364  -5.703  -3.723
  107   HG22  ILE  15          HG22      ILE  15  -6.396  -4.202  -4.647
  108   HG23  ILE  15          HG23      ILE  15  -7.867  -5.158  -4.467
  109   HD11  ILE  15          HD11      ILE  15  -4.308  -4.428  -1.009
  110   HD12  ILE  15          HD12      ILE  15  -4.794  -5.282  -2.474
  111   HD13  ILE  15          HD13      ILE  15  -5.706  -5.502  -0.980
  112    HA   PRO  16           HA       PRO  16 -11.172  -1.910  -0.345
  113    HB2  PRO  16           HB2      PRO  16 -13.385  -3.287  -0.891
  114    HB3  PRO  16           HB1      PRO  16 -12.814  -2.002  -1.959
  115    HG2  PRO  16           HG2      PRO  16 -12.716  -4.944  -2.324
  116    HG3  PRO  16           HG1      PRO  16 -12.825  -3.663  -3.539
  117    HD2  PRO  16           HD2      PRO  16 -10.488  -5.070  -2.687
  118    HD3  PRO  16           HD1      PRO  16 -10.580  -3.720  -3.832
  119    H    ASP  17           HN       ASP  17  -9.788  -4.956  -0.432
  120    HA   ASP  17           HA       ASP  17 -11.607  -6.404   1.239
  121    HB2  ASP  17           HB2      ASP  17  -8.942  -7.533   1.026
  122    HB3  ASP  17           HB1      ASP  17 -10.484  -8.187   0.481
  123    H    GLY  18           HN       GLY  18  -8.813  -4.468   1.966
  124    HA2  GLY  18           HA2      GLY  18  -8.134  -3.733   4.068
  125    HA3  GLY  18           HA1      GLY  18  -9.186  -4.927   4.809
  126    H    ASN  19           HN       ASN  19  -6.955  -5.798   2.344
  127    HA   ASN  19           HA       ASN  19  -5.176  -7.090   4.283
  128    HB2  ASN  19           HB2      ASN  19  -4.717  -8.575   2.174
  129    HB3  ASN  19           HB1      ASN  19  -6.171  -8.837   3.126
  130   HD21  ASN  19          HD21      ASN  19  -5.695  -6.145   0.953
  131   HD22  ASN  19          HD22      ASN  19  -6.955  -6.572  -0.159
  132    H    CYS  20           HN       CYS  20  -4.482  -4.604   3.928
  133    HA   CYS  20           HA       CYS  20  -3.345  -3.872   1.523
  134    HB2  CYS  20           HB2      CYS  20  -2.344  -2.014   2.826
  135    HB3  CYS  20           HB1      CYS  20  -4.065  -2.204   2.987
  136    H    ASN  21           HN       ASN  21  -1.708  -4.859   4.498
  137    HA   ASN  21           HA       ASN  21   0.898  -4.622   3.688
  138    HB2  ASN  21           HB2      ASN  21  -0.457  -6.507   5.554
  139    HB3  ASN  21           HB1      ASN  21   1.239  -6.761   5.183
  140   HD21  ASN  21          HD21      ASN  21  -0.054  -3.563   5.208
  141   HD22  ASN  21          HD22      ASN  21   0.672  -3.056   6.693
  142    H    LYS  22           HN       LYS  22  -0.978  -7.655   3.458
  143    HA   LYS  22           HA       LYS  22   1.088  -9.040   2.206
  144    HB2  LYS  22           HB2      LYS  22  -1.014 -10.501   1.391
  145    HB3  LYS  22           HB1      LYS  22  -0.300 -10.605   2.989
  146    HG2  LYS  22           HG2      LYS  22  -2.022  -9.139   3.879
  147    HG3  LYS  22           HG1      LYS  22  -2.732  -8.959   2.266
  148    HD2  LYS  22           HD2      LYS  22  -3.367 -11.237   2.194
  149    HD3  LYS  22           HD1      LYS  22  -2.340 -11.651   3.563
  150    HE2  LYS  22           HE2      LYS  22  -4.741  -9.846   3.743
  151    HE3  LYS  22           HE1      LYS  22  -4.787 -11.573   4.070
  152    HZ1  LYS  22           HZ1      LYS  22  -4.566 -10.294   6.101
  153    HZ2  LYS  22           HZ2      LYS  22  -3.145  -9.577   5.531
  154    HZ3  LYS  22           HZ3      LYS  22  -3.186 -11.236   5.846
  155    H    HIS  23           HN       HIS  23  -1.285  -6.922   0.750
  156    HA   HIS  23           HA       HIS  23  -0.992  -7.989  -1.878
  157    HB2  HIS  23           HB2      HIS  23  -2.876  -6.468  -1.109
  158    HB3  HIS  23           HB1      HIS  23  -1.734  -5.133  -1.246
  159    HD1  HIS  23           HD1      HIS  23  -1.077  -4.370  -3.643
  160    HD2  HIS  23           HD2      HIS  23  -3.763  -7.547  -3.555
  161    HE1  HIS  23           HE1      HIS  23  -1.932  -4.599  -5.991
  162    HE2  HIS  23           HE2      HIS  23  -3.505  -6.563  -5.936
  163    H    CYS  24           HN       CYS  24   0.348  -5.017  -0.408
  164    HA   CYS  24           HA       CYS  24   2.140  -4.497  -2.548
  165    HB2  CYS  24           HB2      CYS  24   1.865  -3.488   0.249
  166    HB3  CYS  24           HB1      CYS  24   3.402  -3.251  -0.564
  167    H    ARG  25           HN       ARG  25   2.286  -6.808   0.031
  168    HA   ARG  25           HA       ARG  25   5.174  -7.015  -0.153
  169    HB2  ARG  25           HB2      ARG  25   3.260  -8.813   1.303
  170    HB3  ARG  25           HB1      ARG  25   5.008  -8.877   1.407
  171    HG2  ARG  25           HG2      ARG  25   3.085  -7.079   2.684
  172    HG3  ARG  25           HG1      ARG  25   4.620  -7.710   3.272
  173    HD2  ARG  25           HD2      ARG  25   5.795  -6.045   1.813
  174    HD3  ARG  25           HD1      ARG  25   4.225  -5.426   1.349
  175    HE   ARG  25           HE       ARG  25   3.959  -4.535   3.495
  176   HH11  ARG  25          HH11      ARG  25   6.987  -6.250   3.185
  177   HH12  ARG  25          HH12      ARG  25   7.532  -5.848   4.779
  178   HH21  ARG  25          HH21      ARG  25   4.668  -4.004   5.615
  179   HH22  ARG  25          HH22      ARG  25   6.220  -4.565   6.155
  180    H    ASN  26           HN       ASN  26   2.384  -9.060  -0.996
  181    HA   ASN  26           HA       ASN  26   4.093 -11.135  -1.999
  182    HB2  ASN  26           HB2      ASN  26   1.120 -10.731  -1.974
  183    HB3  ASN  26           HB1      ASN  26   1.842 -12.036  -2.904
  184   HD21  ASN  26          HD21      ASN  26   1.234 -10.773   0.238
  185   HD22  ASN  26          HD22      ASN  26   1.614 -12.206   1.129
  186    H    ASN  27           HN       ASN  27   2.358  -8.450  -3.374
  187    HA   ASN  27           HA       ASN  27   2.680  -9.465  -6.060
  188    HB2  ASN  27           HB2      ASN  27   1.483  -6.895  -5.025
  189    HB3  ASN  27           HB1      ASN  27   1.534  -7.348  -6.727
  190   HD21  ASN  27          HD21      ASN  27   0.127  -8.002  -3.619
  191   HD22  ASN  27          HD22      ASN  27  -1.158  -9.022  -4.198
  192    H    GLU  28           HN       GLU  28   3.795  -6.575  -4.277
  193    HA   GLU  28           HA       GLU  28   5.865  -6.313  -6.348
  194    HB2  GLU  28           HB2      GLU  28   4.147  -4.479  -6.120
  195    HB3  GLU  28           HB1      GLU  28   4.847  -4.114  -4.547
  196    HG2  GLU  28           HG2      GLU  28   5.702  -2.630  -6.276
  197    HG3  GLU  28           HG1      GLU  28   6.987  -3.635  -5.606
  198    H    HIS  29           HN       HIS  29   5.271  -6.685  -2.983
  199    HA   HIS  29           HA       HIS  29   6.563  -7.174  -1.239
  200    HB2  HIS  29           HB2      HIS  29   7.783  -8.657  -2.898
  201    HB3  HIS  29           HB1      HIS  29   8.978  -7.363  -3.027
  202    HD1  HIS  29           HD1      HIS  29   7.271  -9.191  -0.165
  203    HD2  HIS  29           HD2      HIS  29  11.019  -7.782  -1.278
  204    HE1  HIS  29           HE1      HIS  29   8.749  -9.612   1.806
  205    HE2  HIS  29           HE2      HIS  29  11.012  -8.716   1.138
  206    H    LEU  30           HN       LEU  30   5.984  -4.741  -1.135
  207    HA   LEU  30           HA       LEU  30   8.329  -3.052  -1.207
  208    HB2  LEU  30           HB2      LEU  30   5.615  -2.342  -0.130
  209    HB3  LEU  30           HB1      LEU  30   6.905  -1.248  -0.577
  210    HG   LEU  30           HG       LEU  30   5.131  -2.865  -2.395
  211   HD11  LEU  30          HD11      LEU  30   5.669   0.057  -1.987
  212   HD12  LEU  30          HD12      LEU  30   4.149  -0.816  -1.783
  213   HD13  LEU  30          HD13      LEU  30   4.819  -0.576  -3.396
  214   HD21  LEU  30          HD21      LEU  30   7.404  -3.090  -3.231
  215   HD22  LEU  30          HD22      LEU  30   7.620  -1.342  -3.147
  216   HD23  LEU  30          HD23      LEU  30   6.452  -2.032  -4.273
  217    H    LEU  31           HN       LEU  31   8.022  -1.412   0.950
  218    HA   LEU  31           HA       LEU  31   9.379  -3.144   2.851
  219    HB2  LEU  31           HB2      LEU  31   9.131  -0.154   2.968
  220    HB3  LEU  31           HB1      LEU  31  10.358  -1.159   3.709
  221    HG   LEU  31           HG       LEU  31   9.990  -0.575   0.788
  222   HD11  LEU  31          HD11      LEU  31  12.226   0.007   2.734
  223   HD12  LEU  31          HD12      LEU  31  11.127   1.185   2.014
  224   HD13  LEU  31          HD13      LEU  31  12.288   0.327   1.002
  225   HD21  LEU  31          HD21      LEU  31  11.861  -2.534   2.106
  226   HD22  LEU  31          HD22      LEU  31  11.995  -1.986   0.434
  227   HD23  LEU  31          HD23      LEU  31  10.569  -2.887   0.955
  228    H    SER  32           HN       SER  32   6.834  -0.626   3.028
  229    HA   SER  32           HA       SER  32   5.996  -1.840   5.584
  230    HB2  SER  32           HB2      SER  32   5.485   0.787   4.258
  231    HB3  SER  32           HB1      SER  32   4.368   0.193   5.468
  232    HG   SER  32           HG       SER  32   6.554   1.508   5.903
  233    H    GLY  33           HN       GLY  33   4.904  -1.095   2.390
  234    HA2  GLY  33           HA2      GLY  33   3.557  -2.266   0.985
  235    HA3  GLY  33           HA1      GLY  33   3.751  -3.615   2.080
  236    H    ARG  34           HN       ARG  34   2.221  -0.624   3.073
  237    HA   ARG  34           HA       ARG  34  -0.192  -2.072   3.690
  238    HB2  ARG  34           HB2      ARG  34   1.242   0.214   4.560
  239    HB3  ARG  34           HB1      ARG  34  -0.362   0.785   4.118
  240    HG2  ARG  34           HG2      ARG  34  -1.209  -1.127   5.620
  241    HG3  ARG  34           HG1      ARG  34   0.455  -1.229   6.197
  242    HD2  ARG  34           HD2      ARG  34   0.377   0.875   7.190
  243    HD3  ARG  34           HD1      ARG  34  -0.956   1.427   6.168
  244    HE   ARG  34           HE       ARG  34  -1.705  -0.759   7.858
  245   HH11  ARG  34          HH11      ARG  34  -1.133   2.697   7.938
  246   HH12  ARG  34          HH12      ARG  34  -2.382   2.998   9.099
  247   HH21  ARG  34          HH21      ARG  34  -3.342  -0.359   9.388
  248   HH22  ARG  34          HH22      ARG  34  -3.643   1.266   9.920
  249    H    CYS  35           HN       CYS  35  -0.896  -2.546   1.356
  250    HA   CYS  35           HA       CYS  35  -1.924  -0.184  -0.016
  251    HB2  CYS  35           HB2      CYS  35  -1.059  -1.179  -1.803
  252    HB3  CYS  35           HB1      CYS  35  -0.892  -2.706  -0.950
  253    H    ARG  36           HN       ARG  36  -3.942   0.506   0.309
  254    HA   ARG  36           HA       ARG  36  -6.083  -1.476  -0.061
  255    HB2  ARG  36           HB2      ARG  36  -6.627   0.883   1.657
  256    HB3  ARG  36           HB1      ARG  36  -7.462  -0.652   1.571
  257    HG2  ARG  36           HG2      ARG  36  -4.717  -0.679   2.572
  258    HG3  ARG  36           HG1      ARG  36  -5.936   0.047   3.608
  259    HD2  ARG  36           HD2      ARG  36  -5.561  -2.426   3.967
  260    HD3  ARG  36           HD1      ARG  36  -7.217  -1.942   3.652
  261    HE   ARG  36           HE       ARG  36  -5.474  -3.436   1.861
  262   HH11  ARG  36          HH11      ARG  36  -8.493  -1.802   2.430
  263   HH12  ARG  36          HH12      ARG  36  -9.358  -2.662   1.197
  264   HH21  ARG  36          HH21      ARG  36  -6.621  -4.655   0.286
  265   HH22  ARG  36          HH22      ARG  36  -8.286  -4.302  -0.021
  266    H    ASP  37           HN       ASP  37  -8.184  -0.378  -0.476
  267    HA   ASP  37           HA       ASP  37  -7.952   2.143  -1.983
  268    HB2  ASP  37           HB2      ASP  37  -8.649   0.504  -3.534
  269    HB3  ASP  37           HB1      ASP  37  -9.723  -0.261  -2.371
  270    H    ASP  38           HN       ASP  38 -10.417   0.228  -0.243
  271    HA   ASP  38           HA       ASP  38 -11.933   2.530   0.510
  272    HB2  ASP  38           HB2      ASP  38 -13.026   0.356   0.226
  273    HB3  ASP  38           HB1      ASP  38 -12.059  -0.317   1.541
  274    H    PHE  39           HN       PHE  39  -9.974   0.231   2.311
  275    HA   PHE  39           HA       PHE  39  -9.917   1.841   4.691
  276    HB2  PHE  39           HB2      PHE  39  -8.310  -0.602   3.964
  277    HB3  PHE  39           HB1      PHE  39  -8.417   0.107   5.560
  278    HD1  PHE  39           HD1      PHE  39  -9.759  -2.317   3.347
  279    HD2  PHE  39           HD2      PHE  39 -10.772   0.239   6.604
  280    HE1  PHE  39           HE1      PHE  39 -11.708  -3.727   3.852
  281    HE2  PHE  39           HE2      PHE  39 -12.717  -1.178   7.113
  282    HZ   PHE  39           HZ       PHE  39 -13.187  -3.162   5.735
  283    H    ARG  40           HN       ARG  40  -7.562   2.231   5.631
  284    HA   ARG  40           HA       ARG  40  -6.090   3.501   3.418
  285    HB2  ARG  40           HB2      ARG  40  -6.611   4.581   6.194
  286    HB3  ARG  40           HB1      ARG  40  -5.526   5.329   5.034
  287    HG2  ARG  40           HG2      ARG  40  -7.384   5.674   3.499
  288    HG3  ARG  40           HG1      ARG  40  -8.479   4.902   4.646
  289    HD2  ARG  40           HD2      ARG  40  -7.968   6.650   6.289
  290    HD3  ARG  40           HD1      ARG  40  -6.898   7.425   5.121
  291    HE   ARG  40           HE       ARG  40  -9.470   7.102   4.002
  292   HH11  ARG  40          HH11      ARG  40  -7.782   9.004   6.412
  293   HH12  ARG  40          HH12      ARG  40  -8.821  10.382   6.233
  294   HH21  ARG  40          HH21      ARG  40 -10.841   8.910   3.775
  295   HH22  ARG  40          HH22      ARG  40 -10.570  10.323   4.749
  296    H    CYS  41           HN       CYS  41  -4.215   2.623   3.167
  297    HA   CYS  41           HA       CYS  41  -2.569   1.964   5.490
  298    HB2  CYS  41           HB2      CYS  41  -3.388   0.222   3.215
  299    HB3  CYS  41           HB1      CYS  41  -1.835  -0.052   3.953
  300    H    TRP  42           HN       TRP  42  -0.274   2.441   5.210
  301    HA   TRP  42           HA       TRP  42   0.483   3.840   2.730
  302    HB2  TRP  42           HB2      TRP  42   1.899   3.685   5.402
  303    HB3  TRP  42           HB1      TRP  42   2.420   4.647   4.032
  304    HD1  TRP  42           HD1      TRP  42  -0.442   4.503   6.626
  305    HE1  TRP  42           HE1      TRP  42  -1.347   6.893   6.941
  306    HE3  TRP  42           HE3      TRP  42   2.291   6.896   3.028
  307    HZ2  TRP  42           HZ2      TRP  42  -0.960   9.445   5.800
  308    HZ3  TRP  42           HZ3      TRP  42   1.966   9.296   2.702
  309    HH2  TRP  42           HH2      TRP  42   0.370  10.551   4.051
  310    H    CYS  43           HN       CYS  43   1.546   2.479   1.160
  311    HA   CYS  43           HA       CYS  43   3.407   0.469   2.222
  312    HB2  CYS  43           HB2      CYS  43   3.117   1.051  -0.733
  313    HB3  CYS  43           HB1      CYS  43   3.804  -0.376   0.040
  314    H    THR  44           HN       THR  44   5.393   0.997   2.695
  315    HA   THR  44           HA       THR  44   6.700   3.308   1.528
  316    HB   THR  44           HB       THR  44   7.910   1.315   3.442
  317    HG1  THR  44           HG1      THR  44   6.354   3.613   4.118
  318   HG21  THR  44          HG21      THR  44   9.110   3.406   4.208
  319   HG22  THR  44          HG22      THR  44   8.469   4.195   2.764
  320   HG23  THR  44          HG23      THR  44   9.540   2.803   2.610
  321    H    ASN  45           HN       ASN  45   8.270   3.190  -0.028
  322    HA   ASN  45           HA       ASN  45   9.831   0.804  -0.431
  323    HB2  ASN  45           HB2      ASN  45   7.770   0.305  -1.730
  324    HB3  ASN  45           HB1      ASN  45   8.052   1.756  -2.687
  325   HD21  ASN  45          HD21      ASN  45   9.343  -1.395  -1.841
  326   HD22  ASN  45          HD22      ASN  45  10.292  -1.598  -3.273
  327    H    ARG  46           HN       ARG  46  11.417   1.190  -2.318
  328    HA   ARG  46           HA       ARG  46  12.512   3.851  -1.875
  329    HB2  ARG  46           HB2      ARG  46  13.713   1.448  -3.264
  330    HB3  ARG  46           HB1      ARG  46  14.566   2.920  -2.816
  331    HG2  ARG  46           HG2      ARG  46  14.879   2.224  -0.727
  332    HG3  ARG  46           HG1      ARG  46  13.203   1.700  -0.565
  333    HD2  ARG  46           HD2      ARG  46  13.756  -0.351  -1.815
  334    HD3  ARG  46           HD1      ARG  46  15.441   0.164  -1.875
  335    HE   ARG  46           HE       ARG  46  14.933   0.202   0.764
  336   HH11  ARG  46          HH11      ARG  46  14.388  -2.212  -1.707
  337   HH12  ARG  46          HH12      ARG  46  14.501  -3.549  -0.610
  338   HH21  ARG  46          HH21      ARG  46  15.089  -1.547   2.219
  339   HH22  ARG  46          HH22      ARG  46  14.916  -3.173   1.632
  340    H    CYS  47           HN       CYS  47  12.223   5.431  -3.305
  341    HA   CYS  47           HA       CYS  47  11.678   4.688  -6.095
  342    HB2  CYS  47           HB2      CYS  47  10.370   6.696  -6.342
  343    HB3  CYS  47           HB1      CYS  47   9.784   5.823  -4.934
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  12.022   6.214   7.382
    2    H2   LYS   1           HT2      LYS   1  12.291   7.417   6.223
    3    H3   LYS   1           HT3      LYS   1  13.317   6.073   6.303
    4    HA   LYS   1           HA       LYS   1  11.517   4.614   5.669
    5    HB2  LYS   1           HB2      LYS   1   9.982   7.208   5.579
    6    HB3  LYS   1           HB1      LYS   1   9.461   5.779   4.707
    7    HG2  LYS   1           HG2      LYS   1   9.168   4.574   6.757
    8    HG3  LYS   1           HG1      LYS   1   9.845   5.915   7.685
    9    HD2  LYS   1           HD2      LYS   1   8.007   7.349   7.026
   10    HD3  LYS   1           HD1      LYS   1   7.357   6.083   5.986
   11    HE2  LYS   1           HE2      LYS   1   7.701   5.767   8.960
   12    HE3  LYS   1           HE1      LYS   1   6.220   6.370   8.219
   13    HZ1  LYS   1           HZ1      LYS   1   6.076   4.009   8.658
   14    HZ2  LYS   1           HZ2      LYS   1   7.452   3.715   7.723
   15    HZ3  LYS   1           HZ3      LYS   1   6.038   4.293   6.987
   16    H    THR   2           HN       THR   2  10.876   4.297   3.442
   17    HA   THR   2           HA       THR   2  12.211   6.074   1.530
   18    HB   THR   2           HB       THR   2  11.893   4.337  -0.152
   19    HG1  THR   2           HG1      THR   2  10.142   3.208   0.437
   20   HG21  THR   2          HG21      THR   2  13.167   3.271   2.366
   21   HG22  THR   2          HG22      THR   2  13.945   4.317   1.180
   22   HG23  THR   2          HG23      THR   2  13.458   2.683   0.727
   23    H    CYS   3           HN       CYS   3  10.758   5.903  -0.666
   24    HA   CYS   3           HA       CYS   3   8.749   7.769  -0.306
   25    HB2  CYS   3           HB2      CYS   3   8.780   5.737  -2.544
   26    HB3  CYS   3           HB1      CYS   3   8.144   7.379  -2.590
   27    H    GLU   4           HN       GLU   4   6.909   7.592   0.760
   28    HA   GLU   4           HA       GLU   4   5.457   5.033   0.716
   29    HB2  GLU   4           HB2      GLU   4   6.646   5.197   2.834
   30    HB3  GLU   4           HB1      GLU   4   6.017   6.815   3.095
   31    HG2  GLU   4           HG2      GLU   4   3.708   5.768   3.084
   32    HG3  GLU   4           HG1      GLU   4   4.529   4.208   3.191
   33    H    ASN   5           HN       ASN   5   3.213   5.190   0.740
   34    HA   ASN   5           HA       ASN   5   2.035   7.766   1.352
   35    HB2  ASN   5           HB2      ASN   5   0.783   8.036  -0.637
   36    HB3  ASN   5           HB1      ASN   5   2.435   7.748  -1.142
   37   HD21  ASN   5          HD21      ASN   5  -0.779   6.503  -1.005
   38   HD22  ASN   5          HD22      ASN   5  -0.544   5.192  -2.113
   39    H    LEU   6           HN       LEU   6  -0.129   7.667   1.833
   40    HA   LEU   6           HA       LEU   6  -1.044   5.048   2.696
   41    HB2  LEU   6           HB2      LEU   6  -1.197   7.501   3.873
   42    HB3  LEU   6           HB1      LEU   6  -2.776   7.397   3.117
   43    HG   LEU   6           HG       LEU   6  -1.601   5.535   5.210
   44   HD11  LEU   6          HD11      LEU   6  -2.613   7.649   5.997
   45   HD12  LEU   6          HD12      LEU   6  -3.527   6.230   6.508
   46   HD13  LEU   6          HD13      LEU   6  -4.112   7.222   5.173
   47   HD21  LEU   6          HD21      LEU   6  -3.944   5.181   3.391
   48   HD22  LEU   6          HD22      LEU   6  -3.928   4.489   5.013
   49   HD23  LEU   6          HD23      LEU   6  -2.677   4.029   3.850
   50    H    SER   7           HN       SER   7  -2.309   3.896   1.427
   51    HA   SER   7           HA       SER   7  -3.240   5.044  -1.030
   52    HB2  SER   7           HB2      SER   7  -3.623   2.239   0.021
   53    HB3  SER   7           HB1      SER   7  -3.758   2.780  -1.650
   54    HG   SER   7           HG       SER   7  -1.362   3.263  -0.301
   55    H    GLY   8           HN       GLY   8  -5.274   5.508  -1.595
   56    HA2  GLY   8           HA2      GLY   8  -7.652   4.530  -0.875
   57    HA3  GLY   8           HA1      GLY   8  -7.280   5.563   0.502
   58    H    THR   9           HN       THR   9  -8.696   7.205   0.234
   59    HA   THR   9           HA       THR   9  -9.376   8.235  -2.317
   60    HB   THR   9           HB       THR   9 -10.990   8.382  -0.530
   61    HG1  THR   9           HG1      THR   9 -10.432  10.298  -2.159
   62   HG21  THR   9          HG21      THR   9  -9.397   8.648   1.346
   63   HG22  THR   9          HG22      THR   9 -10.714   9.819   1.398
   64   HG23  THR   9          HG23      THR   9  -9.118  10.312   0.836
   65    H    PHE  10           HN       PHE  10  -7.228   9.473   0.275
   66    HA   PHE  10           HA       PHE  10  -6.317  11.533  -1.559
   67    HB2  PHE  10           HB2      PHE  10  -4.899  12.299   0.357
   68    HB3  PHE  10           HB1      PHE  10  -6.625  12.356   0.671
   69    HD1  PHE  10           HD1      PHE  10  -3.475  11.278   1.852
   70    HD2  PHE  10           HD2      PHE  10  -7.620  10.373   1.976
   71    HE1  PHE  10           HE1      PHE  10  -3.130  10.013   3.934
   72    HE2  PHE  10           HE2      PHE  10  -7.292   9.104   4.056
   73    HZ   PHE  10           HZ       PHE  10  -5.043   8.927   5.041
   74    H    LYS  11           HN       LYS  11  -4.092  11.660  -2.192
   75    HA   LYS  11           HA       LYS  11  -2.163  10.774  -3.021
   76    HB2  LYS  11           HB2      LYS  11  -2.583   8.673  -0.878
   77    HB3  LYS  11           HB1      LYS  11  -1.118   8.859  -1.831
   78    HG2  LYS  11           HG2      LYS  11  -0.426  10.675  -0.670
   79    HG3  LYS  11           HG1      LYS  11  -2.068  11.243  -0.367
   80    HD2  LYS  11           HD2      LYS  11  -2.350   9.833   1.465
   81    HD3  LYS  11           HD1      LYS  11  -1.077   8.750   0.945
   82    HE2  LYS  11           HE2      LYS  11  -0.474  10.136   2.916
   83    HE3  LYS  11           HE1      LYS  11   0.609  10.356   1.547
   84    HZ1  LYS  11           HZ1      LYS  11  -0.598  12.389   0.984
   85    HZ2  LYS  11           HZ2      LYS  11   0.059  12.467   2.541
   86    HZ3  LYS  11           HZ3      LYS  11  -1.593  12.184   2.336
   87    H    GLY  12           HN       GLY  12  -1.538   7.942  -3.331
   88    HA2  GLY  12           HA2      GLY  12  -3.343   7.372  -5.520
   89    HA3  GLY  12           HA1      GLY  12  -1.905   6.460  -5.096
   90    HA   PRO  13           HA       PRO  13  -5.681   4.264  -3.301
   91    HB2  PRO  13           HB2      PRO  13  -7.001   3.182  -5.345
   92    HB3  PRO  13           HB1      PRO  13  -7.299   4.856  -4.864
   93    HG2  PRO  13           HG2      PRO  13  -5.660   3.797  -7.132
   94    HG3  PRO  13           HG1      PRO  13  -6.762   5.185  -7.105
   95    HD2  PRO  13           HD2      PRO  13  -4.004   5.328  -6.853
   96    HD3  PRO  13           HD1      PRO  13  -5.142   6.581  -6.323
   97    H    CYS  14           HN       CYS  14  -6.349   1.752  -4.261
   98    HA   CYS  14           HA       CYS  14  -4.105   0.335  -5.260
   99    HB2  CYS  14           HB2      CYS  14  -3.792   1.011  -2.617
  100    HB3  CYS  14           HB1      CYS  14  -4.496  -0.596  -2.502
  101    H    ILE  15           HN       ILE  15  -6.202  -0.833  -2.638
  102    HA   ILE  15           HA       ILE  15  -7.925  -2.254  -4.502
  103    HB   ILE  15           HB       ILE  15  -7.480  -4.448  -3.384
  104   HG12  ILE  15          HG12      ILE  15  -4.979  -3.071  -2.397
  105   HG13  ILE  15          HG11      ILE  15  -6.371  -3.451  -1.389
  106   HG21  ILE  15          HG21      ILE  15  -5.191  -3.232  -4.921
  107   HG22  ILE  15          HG22      ILE  15  -6.601  -4.051  -5.596
  108   HG23  ILE  15          HG23      ILE  15  -5.424  -4.958  -4.646
  109   HD11  ILE  15          HD11      ILE  15  -4.645  -5.434  -2.835
  110   HD12  ILE  15          HD12      ILE  15  -6.039  -5.817  -1.825
  111   HD13  ILE  15          HD13      ILE  15  -4.607  -5.077  -1.111
  112    HA   PRO  16           HA       PRO  16 -10.533  -1.676  -0.963
  113    HB2  PRO  16           HB2      PRO  16 -12.794  -2.698  -1.916
  114    HB3  PRO  16           HB1      PRO  16 -12.061  -1.272  -2.659
  115    HG2  PRO  16           HG2      PRO  16 -12.072  -4.098  -3.593
  116    HG3  PRO  16           HG1      PRO  16 -12.148  -2.603  -4.538
  117    HD2  PRO  16           HD2      PRO  16  -9.855  -4.164  -4.052
  118    HD3  PRO  16           HD1      PRO  16  -9.889  -2.525  -4.726
  119    H    ASP  17           HN       ASP  17  -9.085  -4.530  -1.454
  120    HA   ASP  17           HA       ASP  17 -11.029  -6.324  -0.312
  121    HB2  ASP  17           HB2      ASP  17  -8.123  -6.755  -0.994
  122    HB3  ASP  17           HB1      ASP  17  -9.239  -8.021  -0.500
  123    H    GLY  18           HN       GLY  18  -8.410  -4.416   0.954
  124    HA2  GLY  18           HA2      GLY  18  -8.329  -3.827   3.236
  125    HA3  GLY  18           HA1      GLY  18  -9.260  -5.257   3.623
  126    H    ASN  19           HN       ASN  19  -7.024  -6.413   1.678
  127    HA   ASN  19           HA       ASN  19  -5.336  -7.288   3.880
  128    HB2  ASN  19           HB2      ASN  19  -4.506  -8.840   1.921
  129    HB3  ASN  19           HB1      ASN  19  -6.047  -9.150   2.709
  130   HD21  ASN  19          HD21      ASN  19  -5.479  -6.520   0.476
  131   HD22  ASN  19          HD22      ASN  19  -6.545  -7.087  -0.751
  132    H    CYS  20           HN       CYS  20  -4.560  -4.914   3.695
  133    HA   CYS  20           HA       CYS  20  -3.186  -4.080   1.443
  134    HB2  CYS  20           HB2      CYS  20  -2.440  -2.214   2.773
  135    HB3  CYS  20           HB1      CYS  20  -4.137  -2.529   3.058
  136    H    ASN  21           HN       ASN  21  -1.921  -5.364   4.505
  137    HA   ASN  21           HA       ASN  21   0.762  -4.861   3.932
  138    HB2  ASN  21           HB2      ASN  21  -0.614  -6.767   5.777
  139    HB3  ASN  21           HB1      ASN  21   1.131  -6.840   5.589
  140   HD21  ASN  21          HD21      ASN  21  -0.445  -3.811   5.236
  141   HD22  ASN  21          HD22      ASN  21   0.007  -3.144   6.765
  142    H    LYS  22           HN       LYS  22  -1.088  -7.852   3.484
  143    HA   LYS  22           HA       LYS  22   1.156  -9.279   2.478
  144    HB2  LYS  22           HB2      LYS  22  -0.341 -11.087   2.114
  145    HB3  LYS  22           HB1      LYS  22  -0.902 -10.282   3.572
  146    HG2  LYS  22           HG2      LYS  22  -2.664  -9.177   2.315
  147    HG3  LYS  22           HG1      LYS  22  -2.054  -9.891   0.826
  148    HD2  LYS  22           HD2      LYS  22  -3.803 -11.286   1.357
  149    HD3  LYS  22           HD1      LYS  22  -2.434 -12.142   2.057
  150    HE2  LYS  22           HE2      LYS  22  -4.316 -10.327   3.564
  151    HE3  LYS  22           HE1      LYS  22  -4.408 -12.083   3.543
  152    HZ1  LYS  22           HZ1      LYS  22  -3.307 -11.376   5.521
  153    HZ2  LYS  22           HZ2      LYS  22  -2.207 -10.437   4.654
  154    HZ3  LYS  22           HZ3      LYS  22  -2.161 -12.120   4.528
  155    H    HIS  23           HN       HIS  23  -1.298  -7.269   0.960
  156    HA   HIS  23           HA       HIS  23  -1.017  -8.355  -1.634
  157    HB2  HIS  23           HB2      HIS  23  -2.886  -6.819  -0.873
  158    HB3  HIS  23           HB1      HIS  23  -1.751  -5.486  -1.074
  159    HD1  HIS  23           HD1      HIS  23  -1.434  -4.589  -3.413
  160    HD2  HIS  23           HD2      HIS  23  -3.496  -8.198  -3.340
  161    HE1  HIS  23           HE1      HIS  23  -2.277  -4.938  -5.754
  162    HE2  HIS  23           HE2      HIS  23  -3.368  -7.211  -5.722
  163    H    CYS  24           HN       CYS  24   0.486  -5.473  -0.148
  164    HA   CYS  24           HA       CYS  24   2.182  -4.925  -2.327
  165    HB2  CYS  24           HB2      CYS  24   2.223  -4.247   0.578
  166    HB3  CYS  24           HB1      CYS  24   3.704  -4.028  -0.344
  167    H    ARG  25           HN       ARG  25   2.865  -6.740   0.679
  168    HA   ARG  25           HA       ARG  25   5.488  -7.229  -0.060
  169    HB2  ARG  25           HB2      ARG  25   3.734  -8.006   2.142
  170    HB3  ARG  25           HB1      ARG  25   5.159  -9.010   1.887
  171    HG2  ARG  25           HG2      ARG  25   5.943  -7.302   3.276
  172    HG3  ARG  25           HG1      ARG  25   6.377  -6.801   1.637
  173    HD2  ARG  25           HD2      ARG  25   5.432  -4.837   2.466
  174    HD3  ARG  25           HD1      ARG  25   4.126  -5.661   1.594
  175    HE   ARG  25           HE       ARG  25   2.997  -5.912   3.562
  176   HH11  ARG  25          HH11      ARG  25   6.370  -5.287   4.292
  177   HH12  ARG  25          HH12      ARG  25   6.127  -5.253   6.007
  178   HH21  ARG  25          HH21      ARG  25   2.690  -5.879   5.848
  179   HH22  ARG  25          HH22      ARG  25   4.040  -5.579   6.886
  180    H    ASN  26           HN       ASN  26   2.684  -9.287  -0.448
  181    HA   ASN  26           HA       ASN  26   4.323 -11.537  -1.196
  182    HB2  ASN  26           HB2      ASN  26   1.355 -11.076  -1.192
  183    HB3  ASN  26           HB1      ASN  26   2.049 -12.494  -1.967
  184   HD21  ASN  26          HD21      ASN  26   1.512 -10.848   1.004
  185   HD22  ASN  26          HD22      ASN  26   1.859 -12.173   2.060
  186    H    ASN  27           HN       ASN  27   2.477  -9.057  -2.851
  187    HA   ASN  27           HA       ASN  27   2.823 -10.386  -5.397
  188    HB2  ASN  27           HB2      ASN  27   1.446  -7.792  -4.691
  189    HB3  ASN  27           HB1      ASN  27   1.455  -8.521  -6.293
  190   HD21  ASN  27          HD21      ASN  27   0.213  -8.706  -3.063
  191   HD22  ASN  27          HD22      ASN  27  -1.001  -9.908  -3.380
  192    H    GLU  28           HN       GLU  28   3.800  -7.237  -3.988
  193    HA   GLU  28           HA       GLU  28   5.736  -7.025  -6.201
  194    HB2  GLU  28           HB2      GLU  28   3.951  -5.263  -6.047
  195    HB3  GLU  28           HB1      GLU  28   4.652  -4.764  -4.514
  196    HG2  GLU  28           HG2      GLU  28   5.424  -3.302  -6.233
  197    HG3  GLU  28           HG1      GLU  28   6.778  -4.295  -5.694
  198    H    HIS  29           HN       HIS  29   5.342  -7.072  -2.753
  199    HA   HIS  29           HA       HIS  29   6.785  -7.431  -1.102
  200    HB2  HIS  29           HB2      HIS  29   7.975  -8.916  -2.841
  201    HB3  HIS  29           HB1      HIS  29   9.150  -7.595  -2.924
  202    HD1  HIS  29           HD1      HIS  29   7.373  -9.421  -0.115
  203    HD2  HIS  29           HD2      HIS  29  11.158  -8.043  -1.130
  204    HE1  HIS  29           HE1      HIS  29   8.772  -9.764   1.929
  205    HE2  HIS  29           HE2      HIS  29  11.121  -9.182   1.197
  206    H    LEU  30           HN       LEU  30   6.085  -5.039  -1.094
  207    HA   LEU  30           HA       LEU  30   8.365  -3.265  -1.357
  208    HB2  LEU  30           HB2      LEU  30   5.627  -2.558  -0.329
  209    HB3  LEU  30           HB1      LEU  30   6.886  -1.460  -0.855
  210    HG   LEU  30           HG       LEU  30   5.110  -3.210  -2.531
  211   HD11  LEU  30          HD11      LEU  30   4.702  -1.101  -3.705
  212   HD12  LEU  30          HD12      LEU  30   5.798  -0.282  -2.593
  213   HD13  LEU  30          HD13      LEU  30   4.297  -0.986  -1.988
  214   HD21  LEU  30          HD21      LEU  30   7.373  -3.589  -3.344
  215   HD22  LEU  30          HD22      LEU  30   7.641  -1.847  -3.439
  216   HD23  LEU  30          HD23      LEU  30   6.445  -2.614  -4.484
  217    H    LEU  31           HN       LEU  31   7.993  -1.488   0.739
  218    HA   LEU  31           HA       LEU  31   9.453  -3.122   2.663
  219    HB2  LEU  31           HB2      LEU  31   9.105  -0.135   2.710
  220    HB3  LEU  31           HB1      LEU  31  10.372  -1.081   3.468
  221    HG   LEU  31           HG       LEU  31   9.966  -0.574   0.539
  222   HD11  LEU  31          HD11      LEU  31  12.212   0.094   2.442
  223   HD12  LEU  31          HD12      LEU  31  11.073   1.233   1.721
  224   HD13  LEU  31          HD13      LEU  31  12.239   0.384   0.704
  225   HD21  LEU  31          HD21      LEU  31  12.001  -1.942   0.188
  226   HD22  LEU  31          HD22      LEU  31  10.603  -2.867   0.735
  227   HD23  LEU  31          HD23      LEU  31  11.894  -2.465   1.869
  228    H    SER  32           HN       SER  32   6.851  -0.665   2.855
  229    HA   SER  32           HA       SER  32   6.225  -1.697   5.543
  230    HB2  SER  32           HB2      SER  32   5.428   0.725   3.978
  231    HB3  SER  32           HB1      SER  32   4.515   0.230   5.387
  232    HG   SER  32           HG       SER  32   6.511   1.754   5.486
  233    H    GLY  33           HN       GLY  33   4.906  -1.304   2.403
  234    HA2  GLY  33           HA2      GLY  33   3.542  -2.623   1.189
  235    HA3  GLY  33           HA1      GLY  33   3.831  -3.867   2.378
  236    H    ARG  34           HN       ARG  34   2.191  -0.851   3.278
  237    HA   ARG  34           HA       ARG  34  -0.157  -2.504   3.742
  238    HB2  ARG  34           HB2      ARG  34  -0.130   0.469   4.269
  239    HB3  ARG  34           HB1      ARG  34  -0.998  -0.818   5.101
  240    HG2  ARG  34           HG2      ARG  34   0.997  -1.531   6.230
  241    HG3  ARG  34           HG1      ARG  34   1.954  -0.334   5.345
  242    HD2  ARG  34           HD2      ARG  34   1.461   0.662   7.457
  243    HD3  ARG  34           HD1      ARG  34   0.394   1.434   6.287
  244    HE   ARG  34           HE       ARG  34  -0.906  -0.791   7.445
  245   HH11  ARG  34          HH11      ARG  34   0.165   2.439   8.295
  246   HH12  ARG  34          HH12      ARG  34  -1.118   2.692   9.434
  247   HH21  ARG  34          HH21      ARG  34  -2.557  -0.471   8.960
  248   HH22  ARG  34          HH22      ARG  34  -2.670   1.039   9.811
  249    H    CYS  35           HN       CYS  35  -0.675  -2.909   1.434
  250    HA   CYS  35           HA       CYS  35  -1.672  -0.578  -0.013
  251    HB2  CYS  35           HB2      CYS  35  -0.360  -1.790  -1.473
  252    HB3  CYS  35           HB1      CYS  35  -0.927  -3.334  -0.851
  253    H    ARG  36           HN       ARG  36  -3.709   0.033   0.547
  254    HA   ARG  36           HA       ARG  36  -5.730  -1.485  -0.740
  255    HB2  ARG  36           HB2      ARG  36  -7.329  -1.677   1.150
  256    HB3  ARG  36           HB1      ARG  36  -5.947  -2.731   1.313
  257    HG2  ARG  36           HG2      ARG  36  -4.982  -0.917   2.812
  258    HG3  ARG  36           HG1      ARG  36  -6.603  -0.250   2.842
  259    HD2  ARG  36           HD2      ARG  36  -7.432  -2.425   3.662
  260    HD3  ARG  36           HD1      ARG  36  -5.788  -3.035   3.717
  261    HE   ARG  36           HE       ARG  36  -5.840  -0.690   5.207
  262   HH11  ARG  36          HH11      ARG  36  -7.280  -3.892   5.413
  263   HH12  ARG  36          HH12      ARG  36  -7.497  -3.803   7.130
  264   HH21  ARG  36          HH21      ARG  36  -6.134  -0.611   7.465
  265   HH22  ARG  36          HH22      ARG  36  -6.834  -1.970   8.285
  266    H    ASP  37           HN       ASP  37  -7.867  -0.323  -0.652
  267    HA   ASP  37           HA       ASP  37  -7.293   2.566  -0.712
  268    HB2  ASP  37           HB2      ASP  37  -7.305   2.003  -2.959
  269    HB3  ASP  37           HB1      ASP  37  -8.540   0.768  -2.753
  270    H    ASP  38           HN       ASP  38 -10.120   0.359  -0.944
  271    HA   ASP  38           HA       ASP  38 -12.006   2.117   0.117
  272    HB2  ASP  38           HB2      ASP  38 -12.611  -0.040  -0.921
  273    HB3  ASP  38           HB1      ASP  38 -11.907  -0.894   0.447
  274    H    PHE  39           HN       PHE  39  -9.772  -0.084   1.671
  275    HA   PHE  39           HA       PHE  39 -10.191   1.341   4.212
  276    HB2  PHE  39           HB2      PHE  39  -8.533  -1.124   3.758
  277    HB3  PHE  39           HB1      PHE  39  -9.115  -0.503   5.285
  278    HD1  PHE  39           HD1      PHE  39 -11.611  -0.549   5.711
  279    HD2  PHE  39           HD2      PHE  39  -9.750  -2.755   2.560
  280    HE1  PHE  39           HE1      PHE  39 -13.577  -2.016   5.580
  281    HE2  PHE  39           HE2      PHE  39 -11.724  -4.215   2.436
  282    HZ   PHE  39           HZ       PHE  39 -13.636  -3.852   3.942
  283    H    ARG  40           HN       ARG  40  -7.888   1.799   5.295
  284    HA   ARG  40           HA       ARG  40  -6.303   2.870   3.049
  285    HB2  ARG  40           HB2      ARG  40  -6.889   4.222   5.687
  286    HB3  ARG  40           HB1      ARG  40  -5.878   4.878   4.404
  287    HG2  ARG  40           HG2      ARG  40  -7.780   4.978   2.912
  288    HG3  ARG  40           HG1      ARG  40  -8.808   4.237   4.139
  289    HD2  ARG  40           HD2      ARG  40  -8.338   6.163   5.622
  290    HD3  ARG  40           HD1      ARG  40  -7.433   6.913   4.307
  291    HE   ARG  40           HE       ARG  40  -9.960   6.292   3.325
  292   HH11  ARG  40          HH11      ARG  40  -8.530   8.373   5.746
  293   HH12  ARG  40          HH12      ARG  40  -9.792   9.563   5.661
  294   HH21  ARG  40          HH21      ARG  40 -11.643   7.845   3.220
  295   HH22  ARG  40          HH22      ARG  40 -11.569   9.258   4.225
  296    H    CYS  41           HN       CYS  41  -4.319   2.204   2.975
  297    HA   CYS  41           HA       CYS  41  -2.868   1.668   5.461
  298    HB2  CYS  41           HB2      CYS  41  -3.577  -0.158   3.316
  299    HB3  CYS  41           HB1      CYS  41  -1.901  -0.243   3.777
  300    H    TRP  42           HN       TRP  42  -0.672   2.254   5.490
  301    HA   TRP  42           HA       TRP  42   0.392   3.849   3.296
  302    HB2  TRP  42           HB2      TRP  42   1.586   3.091   5.975
  303    HB3  TRP  42           HB1      TRP  42   2.373   4.136   4.810
  304    HD1  TRP  42           HD1      TRP  42  -0.294   4.122   7.506
  305    HE1  TRP  42           HE1      TRP  42  -1.012   6.549   7.986
  306    HE3  TRP  42           HE3      TRP  42   2.108   6.467   3.654
  307    HZ2  TRP  42           HZ2      TRP  42  -0.615   9.116   6.866
  308    HZ3  TRP  42           HZ3      TRP  42   1.891   8.892   3.427
  309    HH2  TRP  42           HH2      TRP  42   0.548  10.195   4.989
  310    H    CYS  43           HN       CYS  43   1.216   2.563   1.536
  311    HA   CYS  43           HA       CYS  43   3.087   0.445   2.361
  312    HB2  CYS  43           HB2      CYS  43   1.329  -0.216   0.731
  313    HB3  CYS  43           HB1      CYS  43   2.037   0.896  -0.445
  314    H    THR  44           HN       THR  44   5.168   0.638   2.152
  315    HA   THR  44           HA       THR  44   6.258   3.132   1.049
  316    HB   THR  44           HB       THR  44   7.518   1.302   3.096
  317    HG1  THR  44           HG1      THR  44   6.370   3.757   3.819
  318   HG21  THR  44          HG21      THR  44   8.147   4.078   2.118
  319   HG22  THR  44          HG22      THR  44   9.190   2.654   2.149
  320   HG23  THR  44          HG23      THR  44   8.748   3.455   3.655
  321    H    ASN  45           HN       ASN  45   7.836   3.061  -0.466
  322    HA   ASN  45           HA       ASN  45   9.589   0.803  -0.762
  323    HB2  ASN  45           HB2      ASN  45   7.587   0.083  -2.061
  324    HB3  ASN  45           HB1      ASN  45   7.766   1.504  -3.079
  325   HD21  ASN  45          HD21      ASN  45   9.244  -1.527  -2.115
  326   HD22  ASN  45          HD22      ASN  45  10.202  -1.723  -3.540
  327    H    ARG  46           HN       ARG  46  10.914   1.343  -3.004
  328    HA   ARG  46           HA       ARG  46  11.956   4.017  -2.429
  329    HB2  ARG  46           HB2      ARG  46  13.193   1.811  -4.085
  330    HB3  ARG  46           HB1      ARG  46  13.991   3.254  -3.476
  331    HG2  ARG  46           HG2      ARG  46  14.351   2.357  -1.459
  332    HG3  ARG  46           HG1      ARG  46  12.762   1.593  -1.403
  333    HD2  ARG  46           HD2      ARG  46  13.565  -0.144  -2.937
  334    HD3  ARG  46           HD1      ARG  46  15.163   0.602  -2.935
  335    HE   ARG  46           HE       ARG  46  14.811   0.161  -0.337
  336   HH11  ARG  46          HH11      ARG  46  14.234  -1.912  -3.093
  337   HH12  ARG  46          HH12      ARG  46  14.528  -3.381  -2.218
  338   HH21  ARG  46          HH21      ARG  46  15.197  -1.768   0.828
  339   HH22  ARG  46          HH22      ARG  46  15.079  -3.298   0.016
  340    H    CYS  47           HN       CYS  47  11.755   5.653  -3.858
  341    HA   CYS  47           HA       CYS  47  10.919   4.963  -6.592
  342    HB2  CYS  47           HB2      CYS  47   9.593   6.984  -6.689
  343    HB3  CYS  47           HB1      CYS  47   9.097   6.036  -5.295
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  12.307   7.535   6.407
    2    H2   LYS   1           HT2      LYS   1  13.678   6.553   6.350
    3    H3   LYS   1           HT3      LYS   1  12.570   6.380   7.615
    4    HA   LYS   1           HA       LYS   1  12.314   4.607   6.033
    5    HB2  LYS   1           HB2      LYS   1   9.915   4.892   5.521
    6    HB3  LYS   1           HB1      LYS   1  10.296   5.338   7.175
    7    HG2  LYS   1           HG2      LYS   1  10.157   7.656   6.659
    8    HG3  LYS   1           HG1      LYS   1  10.036   7.319   4.935
    9    HD2  LYS   1           HD2      LYS   1   7.850   7.880   5.838
   10    HD3  LYS   1           HD1      LYS   1   7.883   6.196   5.317
   11    HE2  LYS   1           HE2      LYS   1   6.732   6.383   7.435
   12    HE3  LYS   1           HE1      LYS   1   8.243   5.504   7.652
   13    HZ1  LYS   1           HZ1      LYS   1   9.253   7.500   8.531
   14    HZ2  LYS   1           HZ2      LYS   1   7.861   7.125   9.411
   15    HZ3  LYS   1           HZ3      LYS   1   7.831   8.376   8.276
   16    H    THR   2           HN       THR   2  10.867   4.348   3.873
   17    HA   THR   2           HA       THR   2  12.366   5.788   1.815
   18    HB   THR   2           HB       THR   2  11.347   3.875   0.387
   19    HG1  THR   2           HG1      THR   2  11.578   2.310   2.656
   20   HG21  THR   2          HG21      THR   2  13.552   3.361   2.380
   21   HG22  THR   2          HG22      THR   2  13.740   4.199   0.840
   22   HG23  THR   2          HG23      THR   2  13.301   2.490   0.864
   23    H    CYS   3           HN       CYS   3  10.958   5.763  -0.351
   24    HA   CYS   3           HA       CYS   3   9.108   7.816  -0.064
   25    HB2  CYS   3           HB2      CYS   3   9.070   5.810  -2.326
   26    HB3  CYS   3           HB1      CYS   3   8.597   7.506  -2.381
   27    H    GLU   4           HN       GLU   4   7.163   7.781   0.861
   28    HA   GLU   4           HA       GLU   4   5.697   5.234   0.877
   29    HB2  GLU   4           HB2      GLU   4   6.869   5.622   3.030
   30    HB3  GLU   4           HB1      GLU   4   5.994   7.136   3.204
   31    HG2  GLU   4           HG2      GLU   4   3.866   5.828   3.145
   32    HG3  GLU   4           HG1      GLU   4   4.843   4.355   3.200
   33    H    ASN   5           HN       ASN   5   3.540   5.349   0.620
   34    HA   ASN   5           HA       ASN   5   2.242   7.930   0.981
   35    HB2  ASN   5           HB2      ASN   5   1.159   7.959  -1.093
   36    HB3  ASN   5           HB1      ASN   5   2.815   7.559  -1.473
   37   HD21  ASN   5          HD21      ASN   5  -0.430   6.388  -1.209
   38   HD22  ASN   5          HD22      ASN   5  -0.210   4.955  -2.164
   39    H    LEU   6           HN       LEU   6   0.086   7.808   1.408
   40    HA   LEU   6           HA       LEU   6  -0.796   5.242   2.465
   41    HB2  LEU   6           HB2      LEU   6  -1.004   7.773   3.452
   42    HB3  LEU   6           HB1      LEU   6  -2.574   7.579   2.694
   43    HG   LEU   6           HG       LEU   6  -1.375   5.849   4.894
   44   HD11  LEU   6          HD11      LEU   6  -2.298   7.998   5.630
   45   HD12  LEU   6          HD12      LEU   6  -3.306   6.655   6.168
   46   HD13  LEU   6          HD13      LEU   6  -3.815   7.647   4.803
   47   HD21  LEU   6          HD21      LEU   6  -3.776   5.461   3.150
   48   HD22  LEU   6          HD22      LEU   6  -3.728   4.846   4.803
   49   HD23  LEU   6          HD23      LEU   6  -2.519   4.306   3.631
   50    H    SER   7           HN       SER   7  -2.102   3.974   1.327
   51    HA   SER   7           HA       SER   7  -2.993   4.944  -1.253
   52    HB2  SER   7           HB2      SER   7  -3.111   2.155  -0.096
   53    HB3  SER   7           HB1      SER   7  -3.277   2.610  -1.789
   54    HG   SER   7           HG       SER   7  -0.977   3.525  -0.609
   55    H    GLY   8           HN       GLY   8  -5.065   5.058  -1.945
   56    HA2  GLY   8           HA2      GLY   8  -7.351   3.937  -1.391
   57    HA3  GLY   8           HA1      GLY   8  -7.164   4.858   0.096
   58    H    THR   9           HN       THR   9  -8.476   6.580   0.005
   59    HA   THR   9           HA       THR   9  -9.028   7.993  -2.420
   60    HB   THR   9           HB       THR   9 -10.517   8.044  -0.379
   61    HG1  THR   9           HG1      THR   9 -10.688  10.510  -0.535
   62   HG21  THR   9          HG21      THR   9  -8.354   9.872   0.668
   63   HG22  THR   9          HG22      THR   9  -8.843   8.320   1.348
   64   HG23  THR   9          HG23      THR   9  -9.955   9.687   1.385
   65    H    PHE  10           HN       PHE  10  -6.619   7.987   0.002
   66    HA   PHE  10           HA       PHE  10  -5.357  10.447  -0.861
   67    HB2  PHE  10           HB2      PHE  10  -5.026   8.515   1.368
   68    HB3  PHE  10           HB1      PHE  10  -3.573   9.346   0.827
   69    HD1  PHE  10           HD1      PHE  10  -3.151  11.534   1.416
   70    HD2  PHE  10           HD2      PHE  10  -6.993   9.887   2.134
   71    HE1  PHE  10           HE1      PHE  10  -3.738  13.512   2.762
   72    HE2  PHE  10           HE2      PHE  10  -7.597  11.854   3.482
   73    HZ   PHE  10           HZ       PHE  10  -5.967  13.672   3.799
   74    H    LYS  11           HN       LYS  11  -3.598  10.566  -2.132
   75    HA   LYS  11           HA       LYS  11  -1.840  10.007  -3.444
   76    HB2  LYS  11           HB2      LYS  11  -1.503   8.067  -1.164
   77    HB3  LYS  11           HB1      LYS  11  -0.301   8.270  -2.426
   78    HG2  LYS  11           HG2      LYS  11   0.462   9.601  -0.670
   79    HG3  LYS  11           HG1      LYS  11  -0.280  10.739  -1.776
   80    HD2  LYS  11           HD2      LYS  11  -2.282  10.758  -0.375
   81    HD3  LYS  11           HD1      LYS  11  -1.524   9.630   0.755
   82    HE2  LYS  11           HE2      LYS  11  -1.334  11.924   1.566
   83    HE3  LYS  11           HE1      LYS  11   0.252  11.268   1.172
   84    HZ1  LYS  11           HZ1      LYS  11  -0.061  13.554   0.385
   85    HZ2  LYS  11           HZ2      LYS  11  -1.328  13.041  -0.609
   86    HZ3  LYS  11           HZ3      LYS  11   0.242  12.481  -0.883
   87    H    GLY  12           HN       GLY  12  -4.328   8.668  -4.183
   88    HA2  GLY  12           HA2      GLY  12  -4.707   7.341  -6.079
   89    HA3  GLY  12           HA1      GLY  12  -3.122   6.622  -5.874
   90    HA   PRO  13           HA       PRO  13  -6.658   4.070  -3.813
   91    HB2  PRO  13           HB2      PRO  13  -7.392   2.783  -6.308
   92    HB3  PRO  13           HB1      PRO  13  -8.413   3.660  -5.165
   93    HG2  PRO  13           HG2      PRO  13  -7.821   4.580  -7.659
   94    HG3  PRO  13           HG1      PRO  13  -8.179   5.641  -6.286
   95    HD2  PRO  13           HD2      PRO  13  -5.534   4.895  -7.467
   96    HD3  PRO  13           HD1      PRO  13  -6.102   6.465  -6.863
   97    H    CYS  14           HN       CYS  14  -7.010   1.446  -4.488
   98    HA   CYS  14           HA       CYS  14  -4.578   0.237  -5.355
   99    HB2  CYS  14           HB2      CYS  14  -4.458   1.198  -2.792
  100    HB3  CYS  14           HB1      CYS  14  -4.946  -0.468  -2.530
  101    H    ILE  15           HN       ILE  15  -6.994  -0.695  -2.836
  102    HA   ILE  15           HA       ILE  15  -8.090  -2.824  -4.459
  103    HB   ILE  15           HB       ILE  15  -7.324  -4.539  -2.657
  104   HG12  ILE  15          HG12      ILE  15  -5.087  -2.514  -2.498
  105   HG13  ILE  15          HG11      ILE  15  -6.244  -2.823  -1.205
  106   HG21  ILE  15          HG21      ILE  15  -6.754  -4.732  -5.002
  107   HG22  ILE  15          HG22      ILE  15  -5.364  -5.143  -3.997
  108   HG23  ILE  15          HG23      ILE  15  -5.441  -3.574  -4.798
  109   HD11  ILE  15          HD11      ILE  15  -5.444  -5.121  -1.057
  110   HD12  ILE  15          HD12      ILE  15  -4.140  -3.966  -0.808
  111   HD13  ILE  15          HD13      ILE  15  -4.287  -4.815  -2.346
  112    HA   PRO  16           HA       PRO  16 -11.004  -2.492  -1.076
  113    HB2  PRO  16           HB2      PRO  16 -12.854  -4.197  -1.935
  114    HB3  PRO  16           HB1      PRO  16 -12.380  -2.807  -2.918
  115    HG2  PRO  16           HG2      PRO  16 -11.734  -5.680  -3.280
  116    HG3  PRO  16           HG1      PRO  16 -11.886  -4.401  -4.494
  117    HD2  PRO  16           HD2      PRO  16  -9.485  -5.405  -3.259
  118    HD3  PRO  16           HD1      PRO  16  -9.635  -4.129  -4.484
  119    H    ASP  17           HN       ASP  17  -9.091  -5.307  -1.087
  120    HA   ASP  17           HA       ASP  17 -10.766  -7.074   0.392
  121    HB2  ASP  17           HB2      ASP  17  -7.762  -7.196   0.145
  122    HB3  ASP  17           HB1      ASP  17  -8.853  -8.524   0.519
  123    H    GLY  18           HN       GLY  18  -8.538  -4.585   1.481
  124    HA2  GLY  18           HA2      GLY  18  -8.531  -3.657   3.618
  125    HA3  GLY  18           HA1      GLY  18  -9.464  -5.019   4.211
  126    H    ASN  19           HN       ASN  19  -7.138  -6.566   2.731
  127    HA   ASN  19           HA       ASN  19  -5.482  -7.177   4.879
  128    HB2  ASN  19           HB2      ASN  19  -3.972  -8.162   3.197
  129    HB3  ASN  19           HB1      ASN  19  -5.646  -8.625   2.957
  130   HD21  ASN  19          HD21      ASN  19  -6.424  -6.115   1.680
  131   HD22  ASN  19          HD22      ASN  19  -5.742  -6.165   0.100
  132    H    CYS  20           HN       CYS  20  -4.827  -5.032   2.162
  133    HA   CYS  20           HA       CYS  20  -3.306  -3.570   1.619
  134    HB2  CYS  20           HB2      CYS  20  -2.715  -1.871   3.020
  135    HB3  CYS  20           HB1      CYS  20  -4.220  -2.430   3.704
  136    H    ASN  21           HN       ASN  21  -1.820  -5.007   4.495
  137    HA   ASN  21           HA       ASN  21   0.764  -4.648   3.558
  138    HB2  ASN  21           HB2      ASN  21  -0.361  -6.512   5.614
  139    HB3  ASN  21           HB1      ASN  21   1.356  -6.500   5.238
  140   HD21  ASN  21          HD21      ASN  21   1.222  -3.598   4.658
  141   HD22  ASN  21          HD22      ASN  21   1.183  -2.859   6.218
  142    H    LYS  22           HN       LYS  22  -1.031  -7.746   3.583
  143    HA   LYS  22           HA       LYS  22   1.061  -9.181   2.438
  144    HB2  LYS  22           HB2      LYS  22  -0.438 -10.984   2.138
  145    HB3  LYS  22           HB1      LYS  22  -0.978 -10.141   3.582
  146    HG2  LYS  22           HG2      LYS  22  -2.696  -9.007   2.230
  147    HG3  LYS  22           HG1      LYS  22  -2.177  -9.935   0.833
  148    HD2  LYS  22           HD2      LYS  22  -4.089 -11.006   1.744
  149    HD3  LYS  22           HD1      LYS  22  -2.686 -12.005   2.119
  150    HE2  LYS  22           HE2      LYS  22  -2.630 -11.029   4.383
  151    HE3  LYS  22           HE1      LYS  22  -4.074 -10.088   3.998
  152    HZ1  LYS  22           HZ1      LYS  22  -4.626 -12.095   5.218
  153    HZ2  LYS  22           HZ2      LYS  22  -3.891 -13.053   4.037
  154    HZ3  LYS  22           HZ3      LYS  22  -5.275 -12.164   3.658
  155    H    HIS  23           HN       HIS  23  -1.391  -7.200   0.868
  156    HA   HIS  23           HA       HIS  23  -1.020  -8.265  -1.725
  157    HB2  HIS  23           HB2      HIS  23  -2.897  -6.708  -1.048
  158    HB3  HIS  23           HB1      HIS  23  -1.729  -5.390  -1.104
  159    HD1  HIS  23           HD1      HIS  23  -1.006  -4.541  -3.441
  160    HD2  HIS  23           HD2      HIS  23  -3.628  -7.769  -3.557
  161    HE1  HIS  23           HE1      HIS  23  -1.756  -4.720  -5.831
  162    HE2  HIS  23           HE2      HIS  23  -3.243  -6.752  -5.904
  163    H    CYS  24           HN       CYS  24   0.211  -5.164  -0.445
  164    HA   CYS  24           HA       CYS  24   1.981  -4.646  -2.533
  165    HB2  CYS  24           HB2      CYS  24   1.792  -3.796   0.290
  166    HB3  CYS  24           HB1      CYS  24   3.355  -3.609  -0.474
  167    H    ARG  25           HN       ARG  25   2.360  -6.727   0.256
  168    HA   ARG  25           HA       ARG  25   5.238  -6.774  -0.043
  169    HB2  ARG  25           HB2      ARG  25   3.478  -8.141   1.979
  170    HB3  ARG  25           HB1      ARG  25   5.228  -8.017   2.037
  171    HG2  ARG  25           HG2      ARG  25   3.362  -5.680   2.027
  172    HG3  ARG  25           HG1      ARG  25   4.080  -6.378   3.484
  173    HD2  ARG  25           HD2      ARG  25   5.949  -5.726   1.310
  174    HD3  ARG  25           HD1      ARG  25   5.186  -4.332   2.078
  175    HE   ARG  25           HE       ARG  25   6.243  -4.905   4.106
  176   HH11  ARG  25          HH11      ARG  25   7.090  -7.166   1.563
  177   HH12  ARG  25          HH12      ARG  25   8.468  -7.786   2.410
  178   HH21  ARG  25          HH21      ARG  25   8.054  -5.725   5.201
  179   HH22  ARG  25          HH22      ARG  25   9.018  -6.966   4.463
  180    H    ASN  26           HN       ASN  26   2.551  -8.901  -0.759
  181    HA   ASN  26           HA       ASN  26   4.330 -11.208  -0.878
  182    HB2  ASN  26           HB2      ASN  26   1.376 -10.886  -1.348
  183    HB3  ASN  26           HB1      ASN  26   2.218 -12.373  -1.740
  184   HD21  ASN  26          HD21      ASN  26   3.227 -10.477   0.963
  185   HD22  ASN  26          HD22      ASN  26   2.626 -11.527   2.197
  186    H    ASN  27           HN       ASN  27   2.403  -9.294  -3.158
  187    HA   ASN  27           HA       ASN  27   3.546 -10.789  -5.376
  188    HB2  ASN  27           HB2      ASN  27   2.075  -9.075  -6.714
  189    HB3  ASN  27           HB1      ASN  27   1.317 -10.406  -5.842
  190   HD21  ASN  27          HD21      ASN  27   0.260 -10.007  -3.912
  191   HD22  ASN  27          HD22      ASN  27  -0.171  -8.412  -3.394
  192    H    GLU  28           HN       GLU  28   3.558  -7.369  -4.271
  193    HA   GLU  28           HA       GLU  28   5.600  -6.840  -6.298
  194    HB2  GLU  28           HB2      GLU  28   3.551  -5.316  -5.703
  195    HB3  GLU  28           HB1      GLU  28   4.589  -4.756  -4.399
  196    HG2  GLU  28           HG2      GLU  28   4.790  -3.283  -6.285
  197    HG3  GLU  28           HG1      GLU  28   6.308  -4.154  -6.055
  198    H    HIS  29           HN       HIS  29   5.268  -7.282  -2.888
  199    HA   HIS  29           HA       HIS  29   6.734  -7.489  -1.210
  200    HB2  HIS  29           HB2      HIS  29   7.884  -8.945  -3.004
  201    HB3  HIS  29           HB1      HIS  29   8.992  -7.591  -3.203
  202    HD1  HIS  29           HD1      HIS  29  10.507  -6.997  -1.123
  203    HD2  HIS  29           HD2      HIS  29   8.303 -10.508  -0.769
  204    HE1  HIS  29           HE1      HIS  29  11.473  -8.213   0.851
  205    HE2  HIS  29           HE2      HIS  29  10.138 -10.340   1.044
  206    H    LEU  30           HN       LEU  30   5.948  -4.992  -1.495
  207    HA   LEU  30           HA       LEU  30   8.199  -3.226  -1.761
  208    HB2  LEU  30           HB2      LEU  30   5.496  -2.582  -0.601
  209    HB3  LEU  30           HB1      LEU  30   6.723  -1.437  -1.106
  210    HG   LEU  30           HG       LEU  30   4.914  -3.127  -2.802
  211   HD11  LEU  30          HD11      LEU  30   4.190  -0.866  -2.186
  212   HD12  LEU  30          HD12      LEU  30   4.499  -1.009  -3.919
  213   HD13  LEU  30          HD13      LEU  30   5.678  -0.215  -2.877
  214   HD21  LEU  30          HD21      LEU  30   6.227  -2.554  -4.764
  215   HD22  LEU  30          HD22      LEU  30   7.172  -3.532  -3.643
  216   HD23  LEU  30          HD23      LEU  30   7.444  -1.794  -3.744
  217    H    LEU  31           HN       LEU  31   7.820  -1.445   0.401
  218    HA   LEU  31           HA       LEU  31   9.423  -3.032   2.243
  219    HB2  LEU  31           HB2      LEU  31   9.036  -0.056   2.173
  220    HB3  LEU  31           HB1      LEU  31  10.299  -0.935   3.014
  221    HG   LEU  31           HG       LEU  31   9.930  -0.621   0.053
  222   HD11  LEU  31          HD11      LEU  31  11.079   1.191   1.177
  223   HD12  LEU  31          HD12      LEU  31  12.192   0.281   0.153
  224   HD13  LEU  31          HD13      LEU  31  12.207   0.042   1.899
  225   HD21  LEU  31          HD21      LEU  31  11.911  -2.082  -0.202
  226   HD22  LEU  31          HD22      LEU  31  10.467  -2.915   0.374
  227   HD23  LEU  31          HD23      LEU  31  11.762  -2.511   1.505
  228    H    SER  32           HN       SER  32   6.798  -0.604   2.618
  229    HA   SER  32           HA       SER  32   6.222  -1.887   5.217
  230    HB2  SER  32           HB2      SER  32   5.664   0.784   4.042
  231    HB3  SER  32           HB1      SER  32   4.476   0.131   5.161
  232    HG   SER  32           HG       SER  32   5.863   0.336   6.774
  233    H    GLY  33           HN       GLY  33   4.868  -1.176   2.141
  234    HA2  GLY  33           HA2      GLY  33   3.385  -2.308   0.874
  235    HA3  GLY  33           HA1      GLY  33   3.625  -3.664   1.947
  236    H    ARG  34           HN       ARG  34   2.172  -0.588   3.010
  237    HA   ARG  34           HA       ARG  34  -0.210  -2.147   3.587
  238    HB2  ARG  34           HB2      ARG  34   0.028   0.820   4.071
  239    HB3  ARG  34           HB1      ARG  34  -0.923  -0.378   4.930
  240    HG2  ARG  34           HG2      ARG  34   0.997  -1.237   6.050
  241    HG3  ARG  34           HG1      ARG  34   2.068  -0.202   5.097
  242    HD2  ARG  34           HD2      ARG  34   1.786   0.974   7.129
  243    HD3  ARG  34           HD1      ARG  34   0.690   1.762   5.999
  244    HE   ARG  34           HE       ARG  34  -0.699  -0.270   7.369
  245   HH11  ARG  34          HH11      ARG  34   0.783   2.835   7.987
  246   HH12  ARG  34          HH12      ARG  34  -0.378   3.296   9.190
  247   HH21  ARG  34          HH21      ARG  34  -2.232   0.334   8.972
  248   HH22  ARG  34          HH22      ARG  34  -2.085   1.880   9.748
  249    H    CYS  35           HN       CYS  35  -0.916  -2.548   1.357
  250    HA   CYS  35           HA       CYS  35  -1.803  -0.214  -0.177
  251    HB2  CYS  35           HB2      CYS  35  -0.620  -1.675  -1.546
  252    HB3  CYS  35           HB1      CYS  35  -1.356  -3.097  -0.831
  253    H    ARG  36           HN       ARG  36  -3.844   0.561   0.156
  254    HA   ARG  36           HA       ARG  36  -6.087  -1.330   0.076
  255    HB2  ARG  36           HB2      ARG  36  -5.951   0.987   1.966
  256    HB3  ARG  36           HB1      ARG  36  -7.293  -0.112   1.788
  257    HG2  ARG  36           HG2      ARG  36  -4.641  -1.147   2.568
  258    HG3  ARG  36           HG1      ARG  36  -5.653  -0.343   3.771
  259    HD2  ARG  36           HD2      ARG  36  -5.990  -2.788   3.753
  260    HD3  ARG  36           HD1      ARG  36  -7.447  -1.900   3.339
  261    HE   ARG  36           HE       ARG  36  -5.796  -3.466   1.515
  262   HH11  ARG  36          HH11      ARG  36  -8.558  -1.418   2.058
  263   HH12  ARG  36          HH12      ARG  36  -9.475  -2.040   0.717
  264   HH21  ARG  36          HH21      ARG  36  -6.980  -4.345  -0.217
  265   HH22  ARG  36          HH22      ARG  36  -8.544  -3.692  -0.594
  266    H    ASP  37           HN       ASP  37  -8.155  -0.329  -0.493
  267    HA   ASP  37           HA       ASP  37  -7.919   2.311  -1.803
  268    HB2  ASP  37           HB2      ASP  37  -8.538   0.568  -3.389
  269    HB3  ASP  37           HB1      ASP  37  -9.859   0.056  -2.350
  270    H    ASP  38           HN       ASP  38 -10.546   0.330  -0.474
  271    HA   ASP  38           HA       ASP  38 -12.159   2.436   0.438
  272    HB2  ASP  38           HB2      ASP  38 -12.522   0.175   2.146
  273    HB3  ASP  38           HB1      ASP  38 -13.547   0.708   0.816
  274    H    PHE  39           HN       PHE  39 -10.175   0.221   2.265
  275    HA   PHE  39           HA       PHE  39 -10.056   1.889   4.607
  276    HB2  PHE  39           HB2      PHE  39  -8.370  -0.526   3.980
  277    HB3  PHE  39           HB1      PHE  39  -8.784   0.108   5.560
  278    HD1  PHE  39           HD1      PHE  39  -9.614  -2.247   3.049
  279    HD2  PHE  39           HD2      PHE  39 -11.290   0.091   6.196
  280    HE1  PHE  39           HE1      PHE  39 -11.569  -3.744   3.131
  281    HE2  PHE  39           HE2      PHE  39 -13.238  -1.408   6.281
  282    HZ   PHE  39           HZ       PHE  39 -13.379  -3.326   4.745
  283    H    ARG  40           HN       ARG  40  -7.711   2.354   5.492
  284    HA   ARG  40           HA       ARG  40  -6.132   3.233   3.178
  285    HB2  ARG  40           HB2      ARG  40  -5.624   5.323   4.276
  286    HB3  ARG  40           HB1      ARG  40  -7.365   5.123   4.191
  287    HG2  ARG  40           HG2      ARG  40  -7.235   4.268   6.575
  288    HG3  ARG  40           HG1      ARG  40  -5.579   4.873   6.590
  289    HD2  ARG  40           HD2      ARG  40  -8.137   6.414   6.274
  290    HD3  ARG  40           HD1      ARG  40  -6.883   6.606   7.498
  291    HE   ARG  40           HE       ARG  40  -6.192   7.145   4.711
  292   HH11  ARG  40          HH11      ARG  40  -6.860   8.377   7.918
  293   HH12  ARG  40          HH12      ARG  40  -6.251   9.963   7.568
  294   HH21  ARG  40          HH21      ARG  40  -5.389   9.220   4.260
  295   HH22  ARG  40          HH22      ARG  40  -5.404  10.438   5.494
  296    H    CYS  41           HN       CYS  41  -4.226   2.428   3.129
  297    HA   CYS  41           HA       CYS  41  -2.752   1.947   5.613
  298    HB2  CYS  41           HB2      CYS  41  -3.804   0.003   3.832
  299    HB3  CYS  41           HB1      CYS  41  -2.063  -0.039   3.661
  300    H    TRP  42           HN       TRP  42  -0.528   2.555   5.504
  301    HA   TRP  42           HA       TRP  42   0.389   4.071   3.199
  302    HB2  TRP  42           HB2      TRP  42   1.754   3.390   5.811
  303    HB3  TRP  42           HB1      TRP  42   2.475   4.391   4.567
  304    HD1  TRP  42           HD1      TRP  42  -0.103   4.474   7.362
  305    HE1  TRP  42           HE1      TRP  42  -0.786   6.921   7.788
  306    HE3  TRP  42           HE3      TRP  42   2.225   6.677   3.386
  307    HZ2  TRP  42           HZ2      TRP  42  -0.395   9.447   6.580
  308    HZ3  TRP  42           HZ3      TRP  42   2.022   9.096   3.087
  309    HH2  TRP  42           HH2      TRP  42   0.732  10.459   4.640
  310    H    CYS  43           HN       CYS  43   1.073   2.768   1.399
  311    HA   CYS  43           HA       CYS  43   2.898   0.569   2.057
  312    HB2  CYS  43           HB2      CYS  43   1.107   0.179   0.342
  313    HB3  CYS  43           HB1      CYS  43   1.957   1.303  -0.721
  314    H    THR  44           HN       THR  44   4.997   0.736   1.954
  315    HA   THR  44           HA       THR  44   6.157   3.235   0.952
  316    HB   THR  44           HB       THR  44   7.432   1.363   2.937
  317    HG1  THR  44           HG1      THR  44   6.269   3.599   4.001
  318   HG21  THR  44          HG21      THR  44   9.017   2.878   2.155
  319   HG22  THR  44          HG22      THR  44   8.440   3.599   3.660
  320   HG23  THR  44          HG23      THR  44   7.862   4.209   2.109
  321    H    ASN  45           HN       ASN  45   7.873   3.214  -0.401
  322    HA   ASN  45           HA       ASN  45   9.338   0.780  -0.976
  323    HB2  ASN  45           HB2      ASN  45   7.360   0.661  -2.474
  324    HB3  ASN  45           HB1      ASN  45   7.801   2.223  -3.150
  325   HD21  ASN  45          HD21      ASN  45   8.698  -1.133  -2.874
  326   HD22  ASN  45          HD22      ASN  45   9.726  -1.175  -4.261
  327    H    ARG  46           HN       ARG  46  11.276   1.269  -2.311
  328    HA   ARG  46           HA       ARG  46  12.134   4.005  -1.811
  329    HB2  ARG  46           HB2      ARG  46  14.352   2.865  -2.835
  330    HB3  ARG  46           HB1      ARG  46  13.931   2.830  -1.135
  331    HG2  ARG  46           HG2      ARG  46  14.539   0.648  -1.627
  332    HG3  ARG  46           HG1      ARG  46  12.779   0.619  -1.638
  333    HD2  ARG  46           HD2      ARG  46  12.821   0.845  -4.089
  334    HD3  ARG  46           HD1      ARG  46  14.580   0.766  -4.044
  335    HE   ARG  46           HE       ARG  46  13.709  -1.480  -2.720
  336   HH11  ARG  46          HH11      ARG  46  13.355  -0.141  -5.937
  337   HH12  ARG  46          HH12      ARG  46  13.177  -1.691  -6.694
  338   HH21  ARG  46          HH21      ARG  46  13.495  -3.509  -3.705
  339   HH22  ARG  46          HH22      ARG  46  13.256  -3.616  -5.421
  340    H    CYS  47           HN       CYS  47  12.021   5.498  -3.290
  341    HA   CYS  47           HA       CYS  47  11.710   4.665  -6.083
  342    HB2  CYS  47           HB2      CYS  47  10.454   6.706  -6.445
  343    HB3  CYS  47           HB1      CYS  47   9.766   5.830  -5.085
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1  14.229   4.372   6.259
    2    H2   LYS   1           HT2      LYS   1  14.077   5.879   5.505
    3    H3   LYS   1           HT3      LYS   1  14.928   4.634   4.739
    4    HA   LYS   1           HA       LYS   1  12.920   3.331   4.550
    5    HB2  LYS   1           HB2      LYS   1  11.768   4.202   6.519
    6    HB3  LYS   1           HB1      LYS   1  11.643   5.786   5.774
    7    HG2  LYS   1           HG2      LYS   1  10.205   4.809   4.032
    8    HG3  LYS   1           HG1      LYS   1  10.290   3.264   4.878
    9    HD2  LYS   1           HD2      LYS   1   8.230   4.354   5.458
   10    HD3  LYS   1           HD1      LYS   1   9.286   4.346   6.867
   11    HE2  LYS   1           HE2      LYS   1   9.231   6.715   5.038
   12    HE3  LYS   1           HE1      LYS   1   7.961   6.499   6.239
   13    HZ1  LYS   1           HZ1      LYS   1   9.786   6.339   7.925
   14    HZ2  LYS   1           HZ2      LYS   1   9.608   7.856   7.205
   15    HZ3  LYS   1           HZ3      LYS   1  10.866   6.843   6.725
   16    H    THR   2           HN       THR   2  11.462   3.643   2.745
   17    HA   THR   2           HA       THR   2  12.451   5.701   0.912
   18    HB   THR   2           HB       THR   2  11.656   4.291  -0.901
   19    HG1  THR   2           HG1      THR   2   9.948   3.174  -0.192
   20   HG21  THR   2          HG21      THR   2  13.895   3.878  -0.029
   21   HG22  THR   2          HG22      THR   2  13.150   2.380  -0.588
   22   HG23  THR   2          HG23      THR   2  13.231   2.736   1.138
   23    H    CYS   3           HN       CYS   3  10.577   5.985  -0.875
   24    HA   CYS   3           HA       CYS   3   8.864   7.852   0.295
   25    HB2  CYS   3           HB2      CYS   3   8.216   6.541  -2.325
   26    HB3  CYS   3           HB1      CYS   3   8.057   8.232  -1.856
   27    H    GLU   4           HN       GLU   4   7.203   7.452   1.584
   28    HA   GLU   4           HA       GLU   4   5.589   5.054   1.063
   29    HB2  GLU   4           HB2      GLU   4   6.753   4.783   3.162
   30    HB3  GLU   4           HB1      GLU   4   6.225   6.379   3.702
   31    HG2  GLU   4           HG2      GLU   4   3.854   5.559   3.556
   32    HG3  GLU   4           HG1      GLU   4   4.496   3.944   3.269
   33    H    ASN   5           HN       ASN   5   3.417   5.253   0.977
   34    HA   ASN   5           HA       ASN   5   2.239   7.748   1.889
   35    HB2  ASN   5           HB2      ASN   5   1.033   8.193  -0.118
   36    HB3  ASN   5           HB1      ASN   5   2.724   8.030  -0.549
   37   HD21  ASN   5          HD21      ASN   5  -0.426   6.588  -0.685
   38   HD22  ASN   5          HD22      ASN   5  -0.073   5.458  -1.955
   39    H    LEU   6           HN       LEU   6   0.055   7.654   2.240
   40    HA   LEU   6           HA       LEU   6  -0.990   5.019   2.854
   41    HB2  LEU   6           HB2      LEU   6  -1.213   7.443   4.081
   42    HB3  LEU   6           HB1      LEU   6  -2.692   7.422   3.141
   43    HG   LEU   6           HG       LEU   6  -1.856   5.457   5.295
   44   HD11  LEU   6          HD11      LEU   6  -3.897   6.240   6.383
   45   HD12  LEU   6          HD12      LEU   6  -4.205   7.346   5.044
   46   HD13  LEU   6          HD13      LEU   6  -2.793   7.581   6.076
   47   HD21  LEU   6          HD21      LEU   6  -2.854   4.108   3.675
   48   HD22  LEU   6          HD22      LEU   6  -4.092   5.322   3.301
   49   HD23  LEU   6          HD23      LEU   6  -4.123   4.473   4.848
   50    H    SER   7           HN       SER   7  -2.555   4.024   1.624
   51    HA   SER   7           HA       SER   7  -3.138   5.314  -0.922
   52    HB2  SER   7           HB2      SER   7  -3.550   2.445  -0.080
   53    HB3  SER   7           HB1      SER   7  -3.619   3.094  -1.714
   54    HG   SER   7           HG       SER   7  -1.292   3.648  -0.361
   55    H    GLY   8           HN       GLY   8  -5.279   4.980  -1.883
   56    HA2  GLY   8           HA2      GLY   8  -7.624   4.354  -1.541
   57    HA3  GLY   8           HA1      GLY   8  -7.442   4.888   0.127
   58    H    THR   9           HN       THR   9  -8.583   6.697   0.412
   59    HA   THR   9           HA       THR   9  -8.970   8.683  -1.580
   60    HB   THR   9           HB       THR   9 -10.441   8.450   0.416
   61    HG1  THR   9           HG1      THR   9 -10.867  10.446  -0.104
   62   HG21  THR   9          HG21      THR   9  -8.768   7.972   2.109
   63   HG22  THR   9          HG22      THR   9  -9.686   9.406   2.567
   64   HG23  THR   9          HG23      THR   9  -8.061   9.573   1.899
   65    H    PHE  10           HN       PHE  10  -6.478   7.875   0.607
   66    HA   PHE  10           HA       PHE  10  -5.083  10.404   0.427
   67    HB2  PHE  10           HB2      PHE  10  -4.567   7.797   1.836
   68    HB3  PHE  10           HB1      PHE  10  -3.317   9.027   1.714
   69    HD1  PHE  10           HD1      PHE  10  -6.502   8.119   3.236
   70    HD2  PHE  10           HD2      PHE  10  -3.489  11.094   2.904
   71    HE1  PHE  10           HE1      PHE  10  -7.406   9.243   5.234
   72    HE2  PHE  10           HE2      PHE  10  -4.384  12.232   4.900
   73    HZ   PHE  10           HZ       PHE  10  -6.345  11.304   6.066
   74    H    LYS  11           HN       LYS  11  -3.617  10.853  -1.072
   75    HA   LYS  11           HA       LYS  11  -1.923  10.672  -2.570
   76    HB2  LYS  11           HB2      LYS  11  -1.209   8.432  -0.681
   77    HB3  LYS  11           HB1      LYS  11  -0.124   9.069  -1.901
   78    HG2  LYS  11           HG2      LYS  11   0.539  10.124   0.057
   79    HG3  LYS  11           HG1      LYS  11  -0.446  11.332  -0.749
   80    HD2  LYS  11           HD2      LYS  11  -2.323  10.750   0.677
   81    HD3  LYS  11           HD1      LYS  11  -1.368   9.504   1.479
   82    HE2  LYS  11           HE2      LYS  11  -1.422  11.486   2.850
   83    HE3  LYS  11           HE1      LYS  11   0.207  11.250   2.224
   84    HZ1  LYS  11           HZ1      LYS  11  -1.789  13.114   1.063
   85    HZ2  LYS  11           HZ2      LYS  11  -0.177  12.945   0.586
   86    HZ3  LYS  11           HZ3      LYS  11  -0.544  13.568   2.114
   87    H    GLY  12           HN       GLY  12  -4.301   9.141  -3.364
   88    HA2  GLY  12           HA2      GLY  12  -4.537   8.112  -5.494
   89    HA3  GLY  12           HA1      GLY  12  -2.932   7.426  -5.312
   90    HA   PRO  13           HA       PRO  13  -6.533   4.579  -3.764
   91    HB2  PRO  13           HB2      PRO  13  -6.785   3.455  -6.456
   92    HB3  PRO  13           HB1      PRO  13  -8.039   4.068  -5.377
   93    HG2  PRO  13           HG2      PRO  13  -7.332   5.370  -7.620
   94    HG3  PRO  13           HG1      PRO  13  -7.841   6.226  -6.154
   95    HD2  PRO  13           HD2      PRO  13  -5.073   5.741  -7.198
   96    HD3  PRO  13           HD1      PRO  13  -5.777   7.221  -6.512
   97    H    CYS  14           HN       CYS  14  -6.676   2.045  -4.414
   98    HA   CYS  14           HA       CYS  14  -4.151   0.883  -5.122
   99    HB2  CYS  14           HB2      CYS  14  -4.533   1.553  -2.407
  100    HB3  CYS  14           HB1      CYS  14  -4.747  -0.186  -2.514
  101    H    ILE  15           HN       ILE  15  -6.407  -0.500  -2.791
  102    HA   ILE  15           HA       ILE  15  -7.791  -2.079  -4.787
  103    HB   ILE  15           HB       ILE  15  -7.168  -4.239  -3.656
  104   HG12  ILE  15          HG12      ILE  15  -5.017  -2.486  -2.461
  105   HG13  ILE  15          HG11      ILE  15  -6.278  -3.354  -1.591
  106   HG21  ILE  15          HG21      ILE  15  -4.931  -2.780  -5.053
  107   HG22  ILE  15          HG22      ILE  15  -6.247  -3.660  -5.832
  108   HG23  ILE  15          HG23      ILE  15  -5.058  -4.529  -4.860
  109   HD11  ILE  15          HD11      ILE  15  -4.224  -4.523  -1.348
  110   HD12  ILE  15          HD12      ILE  15  -3.966  -4.532  -3.092
  111   HD13  ILE  15          HD13      ILE  15  -5.281  -5.468  -2.392
  112    HA   PRO  16           HA       PRO  16 -10.695  -1.721  -1.482
  113    HB2  PRO  16           HB2      PRO  16 -12.776  -2.976  -2.584
  114    HB3  PRO  16           HB1      PRO  16 -12.130  -1.483  -3.276
  115    HG2  PRO  16           HG2      PRO  16 -11.811  -4.295  -4.198
  116    HG3  PRO  16           HG1      PRO  16 -11.928  -2.808  -5.151
  117    HD2  PRO  16           HD2      PRO  16  -9.566  -4.183  -4.464
  118    HD3  PRO  16           HD1      PRO  16  -9.673  -2.556  -5.157
  119    H    ASP  17           HN       ASP  17  -9.219  -4.675  -2.114
  120    HA   ASP  17           HA       ASP  17 -11.073  -6.422  -0.825
  121    HB2  ASP  17           HB2      ASP  17  -8.156  -6.908  -1.445
  122    HB3  ASP  17           HB1      ASP  17  -9.353  -8.136  -1.045
  123    H    GLY  18           HN       GLY  18  -8.507  -4.424   0.332
  124    HA2  GLY  18           HA2      GLY  18  -8.136  -3.771   2.508
  125    HA3  GLY  18           HA1      GLY  18  -9.375  -4.894   3.028
  126    H    ASN  19           HN       ASN  19  -6.456  -5.610   1.242
  127    HA   ASN  19           HA       ASN  19  -5.615  -7.471   3.359
  128    HB2  ASN  19           HB2      ASN  19  -4.719  -8.792   1.444
  129    HB3  ASN  19           HB1      ASN  19  -6.465  -8.553   1.315
  130   HD21  ASN  19          HD21      ASN  19  -7.140  -6.647   0.076
  131   HD22  ASN  19          HD22      ASN  19  -6.217  -6.157  -1.292
  132    H    CYS  20           HN       CYS  20  -4.862  -4.663   3.057
  133    HA   CYS  20           HA       CYS  20  -3.180  -3.926   1.191
  134    HB2  CYS  20           HB2      CYS  20  -2.254  -2.227   2.758
  135    HB3  CYS  20           HB1      CYS  20  -4.006  -2.307   2.729
  136    H    ASN  21           HN       ASN  21  -1.899  -5.143   4.309
  137    HA   ASN  21           HA       ASN  21   0.780  -4.848   3.637
  138    HB2  ASN  21           HB2      ASN  21  -0.631  -6.612   5.585
  139    HB3  ASN  21           HB1      ASN  21   1.095  -6.799   5.341
  140   HD21  ASN  21          HD21      ASN  21   1.400  -3.912   4.821
  141   HD22  ASN  21          HD22      ASN  21   1.311  -3.180   6.378
  142    H    LYS  22           HN       LYS  22  -1.211  -7.806   3.335
  143    HA   LYS  22           HA       LYS  22   0.973  -9.267   2.286
  144    HB2  LYS  22           HB2      LYS  22  -0.841 -10.923   1.547
  145    HB3  LYS  22           HB1      LYS  22  -0.600 -10.653   3.260
  146    HG2  LYS  22           HG2      LYS  22  -2.573  -9.273   3.364
  147    HG3  LYS  22           HG1      LYS  22  -2.805  -9.394   1.615
  148    HD2  LYS  22           HD2      LYS  22  -3.093 -11.804   1.810
  149    HD3  LYS  22           HD1      LYS  22  -2.798 -11.726   3.543
  150    HE2  LYS  22           HE2      LYS  22  -5.112 -10.452   2.086
  151    HE3  LYS  22           HE1      LYS  22  -5.179 -11.939   3.021
  152    HZ1  LYS  22           HZ1      LYS  22  -5.989 -10.021   4.264
  153    HZ2  LYS  22           HZ2      LYS  22  -4.480  -9.276   4.127
  154    HZ3  LYS  22           HZ3      LYS  22  -4.637 -10.712   5.003
  155    H    HIS  23           HN       HIS  23  -1.372  -7.173   0.765
  156    HA   HIS  23           HA       HIS  23  -1.041  -8.096  -1.874
  157    HB2  HIS  23           HB2      HIS  23  -2.742  -6.414  -1.333
  158    HB3  HIS  23           HB1      HIS  23  -1.478  -5.243  -0.963
  159    HD1  HIS  23           HD1      HIS  23  -2.899  -7.172  -3.899
  160    HD2  HIS  23           HD2      HIS  23  -0.501  -3.864  -3.136
  161    HE1  HIS  23           HE1      HIS  23  -2.552  -6.062  -6.124
  162    HE2  HIS  23           HE2      HIS  23  -0.967  -4.161  -5.662
  163    H    CYS  24           HN       CYS  24   0.622  -5.370  -0.277
  164    HA   CYS  24           HA       CYS  24   2.501  -5.047  -2.348
  165    HB2  CYS  24           HB2      CYS  24   2.462  -4.252   0.540
  166    HB3  CYS  24           HB1      CYS  24   3.890  -3.975  -0.441
  167    H    ARG  25           HN       ARG  25   2.732  -6.671   0.801
  168    HA   ARG  25           HA       ARG  25   5.535  -7.075   0.515
  169    HB2  ARG  25           HB2      ARG  25   3.594  -8.235   2.501
  170    HB3  ARG  25           HB1      ARG  25   5.339  -8.191   2.671
  171    HG2  ARG  25           HG2      ARG  25   3.653  -5.751   2.339
  172    HG3  ARG  25           HG1      ARG  25   4.087  -6.417   3.913
  173    HD2  ARG  25           HD2      ARG  25   6.314  -6.023   2.022
  174    HD3  ARG  25           HD1      ARG  25   5.548  -4.531   2.612
  175    HE   ARG  25           HE       ARG  25   5.896  -5.692   4.915
  176   HH11  ARG  25          HH11      ARG  25   8.169  -5.730   2.249
  177   HH12  ARG  25          HH12      ARG  25   9.545  -6.001   3.274
  178   HH21  ARG  25          HH21      ARG  25   7.702  -6.036   6.246
  179   HH22  ARG  25          HH22      ARG  25   9.278  -6.177   5.539
  180    H    ASN  26           HN       ASN  26   2.752  -9.103  -0.094
  181    HA   ASN  26           HA       ASN  26   4.438 -11.478  -0.242
  182    HB2  ASN  26           HB2      ASN  26   1.458 -11.079  -0.470
  183    HB3  ASN  26           HB1      ASN  26   2.227 -12.602  -0.885
  184   HD21  ASN  26          HD21      ASN  26   3.505 -10.662   1.664
  185   HD22  ASN  26          HD22      ASN  26   2.997 -11.670   2.969
  186    H    ASN  27           HN       ASN  27   2.619  -9.327  -2.337
  187    HA   ASN  27           HA       ASN  27   3.172 -10.983  -4.640
  188    HB2  ASN  27           HB2      ASN  27   1.768  -8.313  -4.467
  189    HB3  ASN  27           HB1      ASN  27   1.867  -9.324  -5.904
  190   HD21  ASN  27          HD21      ASN  27   0.435  -8.903  -2.787
  191   HD22  ASN  27          HD22      ASN  27  -0.776 -10.130  -2.946
  192    H    GLU  28           HN       GLU  28   4.030  -7.679  -3.563
  193    HA   GLU  28           HA       GLU  28   5.947  -7.617  -5.796
  194    HB2  GLU  28           HB2      GLU  28   4.027  -5.971  -5.784
  195    HB3  GLU  28           HB1      GLU  28   4.787  -5.214  -4.392
  196    HG2  GLU  28           HG2      GLU  28   5.290  -4.068  -6.499
  197    HG3  GLU  28           HG1      GLU  28   6.734  -4.670  -5.687
  198    H    HIS  29           HN       HIS  29   5.641  -7.320  -2.343
  199    HA   HIS  29           HA       HIS  29   7.199  -7.558  -0.743
  200    HB2  HIS  29           HB2      HIS  29   8.416  -8.945  -2.535
  201    HB3  HIS  29           HB1      HIS  29   9.386  -7.507  -2.825
  202    HD1  HIS  29           HD1      HIS  29  10.739  -6.628  -0.622
  203    HD2  HIS  29           HD2      HIS  29   9.322 -10.531  -0.529
  204    HE1  HIS  29           HE1      HIS  29  12.030  -7.769   1.205
  205    HE2  HIS  29           HE2      HIS  29  11.056 -10.087   1.336
  206    H    LEU  30           HN       LEU  30   6.178  -5.071  -1.406
  207    HA   LEU  30           HA       LEU  30   8.289  -3.146  -1.577
  208    HB2  LEU  30           HB2      LEU  30   5.533  -2.589  -0.516
  209    HB3  LEU  30           HB1      LEU  30   6.668  -1.452  -1.197
  210    HG   LEU  30           HG       LEU  30   4.963  -3.464  -2.624
  211   HD11  LEU  30          HD11      LEU  30   4.080  -1.211  -2.137
  212   HD12  LEU  30          HD12      LEU  30   4.258  -1.518  -3.871
  213   HD13  LEU  30          HD13      LEU  30   5.441  -0.519  -3.022
  214   HD21  LEU  30          HD21      LEU  30   7.356  -2.002  -3.738
  215   HD22  LEU  30          HD22      LEU  30   6.169  -2.895  -4.688
  216   HD23  LEU  30          HD23      LEU  30   7.198  -3.747  -3.535
  217    H    LEU  31           HN       LEU  31   7.862  -1.300   0.429
  218    HA   LEU  31           HA       LEU  31   9.383  -2.736   2.380
  219    HB2  LEU  31           HB2      LEU  31   8.874   0.186   1.971
  220    HB3  LEU  31           HB1      LEU  31   9.836  -0.451   3.288
  221    HG   LEU  31           HG       LEU  31  11.046  -1.707   1.513
  222   HD11  LEU  31          HD11      LEU  31   9.854   0.395  -0.167
  223   HD12  LEU  31          HD12      LEU  31   9.567  -1.341  -0.273
  224   HD13  LEU  31          HD13      LEU  31  11.158  -0.678  -0.664
  225   HD21  LEU  31          HD21      LEU  31  11.950   0.193   2.831
  226   HD22  LEU  31          HD22      LEU  31  11.361   1.263   1.550
  227   HD23  LEU  31          HD23      LEU  31  12.628   0.086   1.204
  228    H    SER  32           HN       SER  32   6.707  -0.428   2.632
  229    HA   SER  32           HA       SER  32   6.220  -1.451   5.353
  230    HB2  SER  32           HB2      SER  32   6.128   1.034   4.805
  231    HB3  SER  32           HB1      SER  32   4.610   0.695   3.989
  232    HG   SER  32           HG       SER  32   4.392   1.371   6.205
  233    H    GLY  33           HN       GLY  33   4.921  -1.549   2.196
  234    HA2  GLY  33           HA2      GLY  33   3.625  -3.092   1.227
  235    HA3  GLY  33           HA1      GLY  33   3.703  -4.021   2.695
  236    H    ARG  34           HN       ARG  34   2.331  -1.025   3.458
  237    HA   ARG  34           HA       ARG  34  -0.222  -2.334   3.727
  238    HB2  ARG  34           HB2      ARG  34   1.196  -0.159   4.896
  239    HB3  ARG  34           HB1      ARG  34  -0.365   0.465   4.373
  240    HG2  ARG  34           HG2      ARG  34  -1.414  -1.423   5.658
  241    HG3  ARG  34           HG1      ARG  34   0.193  -1.816   6.267
  242    HD2  ARG  34           HD2      ARG  34   0.374   0.269   7.392
  243    HD3  ARG  34           HD1      ARG  34  -1.049   0.926   6.570
  244    HE   ARG  34           HE       ARG  34  -2.271  -0.939   7.836
  245   HH11  ARG  34          HH11      ARG  34   0.584   0.658   9.092
  246   HH12  ARG  34          HH12      ARG  34   0.114   0.463  10.748
  247   HH21  ARG  34          HH21      ARG  34  -2.893  -1.178  10.009
  248   HH22  ARG  34          HH22      ARG  34  -1.868  -0.573  11.271
  249    H    CYS  35           HN       CYS  35  -0.512  -2.569   1.225
  250    HA   CYS  35           HA       CYS  35  -1.631  -0.107   0.100
  251    HB2  CYS  35           HB2      CYS  35  -0.224  -1.062  -1.490
  252    HB3  CYS  35           HB1      CYS  35  -0.800  -2.690  -1.154
  253    H    ARG  36           HN       ARG  36  -3.721   0.297   0.731
  254    HA   ARG  36           HA       ARG  36  -5.596  -1.309  -0.716
  255    HB2  ARG  36           HB2      ARG  36  -7.233  -1.644   1.103
  256    HB3  ARG  36           HB1      ARG  36  -5.791  -2.602   1.289
  257    HG2  ARG  36           HG2      ARG  36  -5.028  -0.773   2.919
  258    HG3  ARG  36           HG1      ARG  36  -6.711  -0.257   2.892
  259    HD2  ARG  36           HD2      ARG  36  -7.375  -2.570   3.501
  260    HD3  ARG  36           HD1      ARG  36  -5.681  -2.996   3.641
  261    HE   ARG  36           HE       ARG  36  -6.217  -0.800   5.308
  262   HH11  ARG  36          HH11      ARG  36  -6.988  -4.218   5.068
  263   HH12  ARG  36          HH12      ARG  36  -7.119  -4.432   6.779
  264   HH21  ARG  36          HH21      ARG  36  -6.367  -1.109   7.569
  265   HH22  ARG  36          HH22      ARG  36  -6.745  -2.683   8.196
  266    H    ASP  37           HN       ASP  37  -7.864  -0.351  -0.548
  267    HA   ASP  37           HA       ASP  37  -7.489   2.564  -0.798
  268    HB2  ASP  37           HB2      ASP  37  -7.559   1.704  -3.000
  269    HB3  ASP  37           HB1      ASP  37  -8.876   0.602  -2.615
  270    H    ASP  38           HN       ASP  38 -10.147   0.166  -0.745
  271    HA   ASP  38           HA       ASP  38 -12.104   1.861   0.293
  272    HB2  ASP  38           HB2      ASP  38 -12.693  -0.335  -0.593
  273    HB3  ASP  38           HB1      ASP  38 -11.777  -1.126   0.687
  274    H    PHE  39           HN       PHE  39  -9.763  -0.213   1.856
  275    HA   PHE  39           HA       PHE  39 -10.163   1.227   4.384
  276    HB2  PHE  39           HB2      PHE  39  -8.430  -1.190   3.903
  277    HB3  PHE  39           HB1      PHE  39  -9.000  -0.573   5.438
  278    HD1  PHE  39           HD1      PHE  39 -11.326  -0.914   6.125
  279    HD2  PHE  39           HD2      PHE  39  -9.774  -2.645   2.545
  280    HE1  PHE  39           HE1      PHE  39 -13.236  -2.457   6.048
  281    HE2  PHE  39           HE2      PHE  39 -11.695  -4.182   2.469
  282    HZ   PHE  39           HZ       PHE  39 -13.424  -4.090   4.219
  283    H    ARG  40           HN       ARG  40  -7.856   1.721   5.444
  284    HA   ARG  40           HA       ARG  40  -6.324   2.865   3.200
  285    HB2  ARG  40           HB2      ARG  40  -6.881   4.157   5.876
  286    HB3  ARG  40           HB1      ARG  40  -5.964   4.871   4.556
  287    HG2  ARG  40           HG2      ARG  40  -7.916   4.957   3.168
  288    HG3  ARG  40           HG1      ARG  40  -8.858   4.078   4.372
  289    HD2  ARG  40           HD2      ARG  40  -8.493   5.950   5.952
  290    HD3  ARG  40           HD1      ARG  40  -7.670   6.833   4.666
  291    HE   ARG  40           HE       ARG  40 -10.085   6.170   3.587
  292   HH11  ARG  40          HH11      ARG  40  -9.074   7.873   6.475
  293   HH12  ARG  40          HH12      ARG  40 -10.472   8.897   6.516
  294   HH21  ARG  40          HH21      ARG  40 -11.948   7.494   3.661
  295   HH22  ARG  40          HH22      ARG  40 -12.108   8.677   4.920
  296    H    CYS  41           HN       CYS  41  -4.332   2.215   3.099
  297    HA   CYS  41           HA       CYS  41  -2.865   1.601   5.557
  298    HB2  CYS  41           HB2      CYS  41  -3.393  -0.133   3.206
  299    HB3  CYS  41           HB1      CYS  41  -1.851  -0.297   4.008
  300    H    TRP  42           HN       TRP  42  -0.622   2.103   5.556
  301    HA   TRP  42           HA       TRP  42   0.393   3.792   3.394
  302    HB2  TRP  42           HB2      TRP  42   1.592   3.035   6.068
  303    HB3  TRP  42           HB1      TRP  42   2.330   4.141   4.927
  304    HD1  TRP  42           HD1      TRP  42  -0.557   3.911   7.436
  305    HE1  TRP  42           HE1      TRP  42  -1.312   6.304   8.024
  306    HE3  TRP  42           HE3      TRP  42   2.257   6.517   4.057
  307    HZ2  TRP  42           HZ2      TRP  42  -0.789   8.938   7.159
  308    HZ3  TRP  42           HZ3      TRP  42   2.074   8.957   3.999
  309    HH2  TRP  42           HH2      TRP  42   0.577  10.150   5.511
  310    H    CYS  43           HN       CYS  43   1.213   2.499   1.643
  311    HA   CYS  43           HA       CYS  43   3.114   0.396   2.442
  312    HB2  CYS  43           HB2      CYS  43   1.359  -0.200   0.736
  313    HB3  CYS  43           HB1      CYS  43   2.133   0.920  -0.387
  314    H    THR  44           HN       THR  44   5.257   0.672   2.264
  315    HA   THR  44           HA       THR  44   6.201   3.243   1.246
  316    HB   THR  44           HB       THR  44   7.651   1.148   2.880
  317    HG1  THR  44           HG1      THR  44   5.893   2.998   3.649
  318   HG21  THR  44          HG21      THR  44   9.170   2.477   1.531
  319   HG22  THR  44          HG22      THR  44   9.326   2.894   3.236
  320   HG23  THR  44          HG23      THR  44   8.440   3.960   2.144
  321    H    ASN  45           HN       ASN  45   7.390   3.357  -0.579
  322    HA   ASN  45           HA       ASN  45   8.869   1.041  -1.495
  323    HB2  ASN  45           HB2      ASN  45   6.425   1.068  -2.467
  324    HB3  ASN  45           HB1      ASN  45   7.081   2.319  -3.511
  325   HD21  ASN  45          HD21      ASN  45   8.788  -0.460  -2.259
  326   HD22  ASN  45          HD22      ASN  45   9.083  -1.197  -3.796
  327    H    ARG  46           HN       ARG  46   9.686   1.822  -3.915
  328    HA   ARG  46           HA       ARG  46  11.247   4.194  -3.211
  329    HB2  ARG  46           HB2      ARG  46  11.786   2.232  -5.437
  330    HB3  ARG  46           HB1      ARG  46  12.909   3.364  -4.701
  331    HG2  ARG  46           HG2      ARG  46  13.212   2.069  -2.828
  332    HG3  ARG  46           HG1      ARG  46  11.660   1.252  -3.020
  333    HD2  ARG  46           HD2      ARG  46  12.530   0.096  -4.998
  334    HD3  ARG  46           HD1      ARG  46  14.092   0.878  -4.757
  335    HE   ARG  46           HE       ARG  46  13.747  -0.344  -2.406
  336   HH11  ARG  46          HH11      ARG  46  13.361  -1.501  -5.687
  337   HH12  ARG  46          HH12      ARG  46  13.751  -3.142  -5.293
  338   HH21  ARG  46          HH21      ARG  46  14.288  -2.510  -1.885
  339   HH22  ARG  46          HH22      ARG  46  14.302  -3.712  -3.136
  340    H    CYS  47           HN       CYS  47  10.723   6.067  -4.151
  341    HA   CYS  47           HA       CYS  47   9.122   5.986  -6.602
  342    HB2  CYS  47           HB2      CYS  47   8.421   8.258  -6.061
  343    HB3  CYS  47           HB1      CYS  47   8.127   7.191  -4.696
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  14.105   5.883   6.021
    2    H2   LYS   1           HT2      LYS   1  13.022   5.631   7.294
    3    H3   LYS   1           HT3      LYS   1  12.760   6.890   6.196
    4    HA   LYS   1           HA       LYS   1  12.718   4.015   5.541
    5    HB2  LYS   1           HB2      LYS   1  10.299   4.307   5.257
    6    HB3  LYS   1           HB1      LYS   1  10.795   4.657   6.907
    7    HG2  LYS   1           HG2      LYS   1  10.719   7.054   6.409
    8    HG3  LYS   1           HG1      LYS   1  10.186   6.683   4.770
    9    HD2  LYS   1           HD2      LYS   1   8.178   5.613   5.650
   10    HD3  LYS   1           HD1      LYS   1   8.717   5.935   7.299
   11    HE2  LYS   1           HE2      LYS   1   8.663   8.361   6.792
   12    HE3  LYS   1           HE1      LYS   1   8.011   7.982   5.199
   13    HZ1  LYS   1           HZ1      LYS   1   6.709   7.232   7.757
   14    HZ2  LYS   1           HZ2      LYS   1   6.061   7.050   6.201
   15    HZ3  LYS   1           HZ3      LYS   1   6.306   8.598   6.846
   16    H    THR   2           HN       THR   2  11.277   3.898   3.407
   17    HA   THR   2           HA       THR   2  12.506   5.758   1.513
   18    HB   THR   2           HB       THR   2  11.929   4.179  -0.258
   19    HG1  THR   2           HG1      THR   2  10.274   2.968   0.269
   20   HG21  THR   2          HG21      THR   2  13.474   2.406   0.325
   21   HG22  THR   2          HG22      THR   2  13.339   2.830   2.031
   22   HG23  THR   2          HG23      THR   2  14.081   3.959   0.898
   23    H    CYS   3           HN       CYS   3  10.907   5.846  -0.550
   24    HA   CYS   3           HA       CYS   3   9.071   7.819   0.216
   25    HB2  CYS   3           HB2      CYS   3   8.887   6.313  -2.380
   26    HB3  CYS   3           HB1      CYS   3   8.591   8.024  -2.069
   27    H    GLU   4           HN       GLU   4   7.200   7.544   1.215
   28    HA   GLU   4           HA       GLU   4   5.707   5.053   0.735
   29    HB2  GLU   4           HB2      GLU   4   6.719   4.869   2.894
   30    HB3  GLU   4           HB1      GLU   4   6.250   6.510   3.317
   31    HG2  GLU   4           HG2      GLU   4   3.834   5.665   3.046
   32    HG3  GLU   4           HG1      GLU   4   4.540   4.049   3.164
   33    H    ASN   5           HN       ASN   5   3.501   5.216   0.559
   34    HA   ASN   5           HA       ASN   5   2.285   7.751   1.318
   35    HB2  ASN   5           HB2      ASN   5   1.085   8.067  -0.700
   36    HB3  ASN   5           HB1      ASN   5   2.759   7.822  -1.154
   37   HD21  ASN   5          HD21      ASN   5  -0.448   6.505  -1.161
   38   HD22  ASN   5          HD22      ASN   5  -0.145   5.254  -2.324
   39    H    LEU   6           HN       LEU   6   0.142   7.651   1.763
   40    HA   LEU   6           HA       LEU   6  -0.866   5.054   2.546
   41    HB2  LEU   6           HB2      LEU   6  -1.112   7.520   3.648
   42    HB3  LEU   6           HB1      LEU   6  -2.583   7.464   2.701
   43    HG   LEU   6           HG       LEU   6  -1.785   5.574   4.940
   44   HD11  LEU   6          HD11      LEU   6  -3.817   6.447   5.987
   45   HD12  LEU   6          HD12      LEU   6  -4.077   7.525   4.615
   46   HD13  LEU   6          HD13      LEU   6  -2.667   7.741   5.652
   47   HD21  LEU   6          HD21      LEU   6  -4.006   4.568   4.528
   48   HD22  LEU   6          HD22      LEU   6  -2.816   4.254   3.266
   49   HD23  LEU   6          HD23      LEU   6  -4.090   5.461   3.007
   50    H    SER   7           HN       SER   7  -2.273   3.900   1.313
   51    HA   SER   7           HA       SER   7  -2.908   5.052  -1.286
   52    HB2  SER   7           HB2      SER   7  -3.061   2.180  -0.365
   53    HB3  SER   7           HB1      SER   7  -3.133   2.771  -2.021
   54    HG   SER   7           HG       SER   7  -0.927   3.666  -0.715
   55    H    GLY   8           HN       GLY   8  -4.942   4.926  -2.219
   56    HA2  GLY   8           HA2      GLY   8  -7.217   3.982  -2.131
   57    HA3  GLY   8           HA1      GLY   8  -7.176   4.267  -0.394
   58    H    THR   9           HN       THR   9  -8.300   5.976   0.215
   59    HA   THR   9           HA       THR   9  -9.078   8.064  -1.544
   60    HB   THR   9           HB       THR   9 -10.384   7.533   0.476
   61    HG1  THR   9           HG1      THR   9 -10.514   9.667  -0.370
   62   HG21  THR   9          HG21      THR   9  -9.592   8.198   2.694
   63   HG22  THR   9          HG22      THR   9  -8.040   8.672   2.001
   64   HG23  THR   9          HG23      THR   9  -8.535   6.979   1.981
   65    H    PHE  10           HN       PHE  10  -6.368   7.456   0.484
   66    HA   PHE  10           HA       PHE  10  -5.263  10.127   0.219
   67    HB2  PHE  10           HB2      PHE  10  -4.456   7.623   1.661
   68    HB3  PHE  10           HB1      PHE  10  -3.286   8.904   1.395
   69    HD1  PHE  10           HD1      PHE  10  -3.303  10.868   2.673
   70    HD2  PHE  10           HD2      PHE  10  -6.454   8.044   3.056
   71    HE1  PHE  10           HE1      PHE  10  -4.079  12.019   4.708
   72    HE2  PHE  10           HE2      PHE  10  -7.243   9.189   5.084
   73    HZ   PHE  10           HZ       PHE  10  -6.056  11.180   5.916
   74    H    LYS  11           HN       LYS  11  -3.756  10.688  -1.248
   75    HA   LYS  11           HA       LYS  11  -2.117  10.595  -2.822
   76    HB2  LYS  11           HB2      LYS  11  -1.325   8.310  -1.027
   77    HB3  LYS  11           HB1      LYS  11  -0.300   8.912  -2.316
   78    HG2  LYS  11           HG2      LYS  11   0.491   9.893  -0.335
   79    HG3  LYS  11           HG1      LYS  11  -0.393  11.158  -1.166
   80    HD2  LYS  11           HD2      LYS  11  -2.288  10.863   0.293
   81    HD3  LYS  11           HD1      LYS  11  -1.510   9.483   1.070
   82    HE2  LYS  11           HE2      LYS  11  -1.299  11.489   2.439
   83    HE3  LYS  11           HE1      LYS  11   0.277  10.937   1.878
   84    HZ1  LYS  11           HZ1      LYS  11   0.113  13.309   1.669
   85    HZ2  LYS  11           HZ2      LYS  11  -1.303  13.185   0.755
   86    HZ3  LYS  11           HZ3      LYS  11   0.165  12.627   0.120
   87    H    GLY  12           HN       GLY  12  -4.516   9.021  -3.582
   88    HA2  GLY  12           HA2      GLY  12  -4.853   7.989  -5.696
   89    HA3  GLY  12           HA1      GLY  12  -3.203   7.392  -5.645
   90    HA   PRO  13           HA       PRO  13  -6.580   4.452  -3.828
   91    HB2  PRO  13           HB2      PRO  13  -7.595   3.201  -5.966
   92    HB3  PRO  13           HB1      PRO  13  -8.214   4.767  -5.428
   93    HG2  PRO  13           HG2      PRO  13  -6.215   4.183  -7.595
   94    HG3  PRO  13           HG1      PRO  13  -7.656   5.218  -7.667
   95    HD2  PRO  13           HD2      PRO  13  -5.195   6.226  -7.259
   96    HD3  PRO  13           HD1      PRO  13  -6.633   6.925  -6.487
   97    H    CYS  14           HN       CYS  14  -6.737   2.014  -4.057
   98    HA   CYS  14           HA       CYS  14  -4.567   0.718  -5.443
   99    HB2  CYS  14           HB2      CYS  14  -3.371   1.281  -3.453
  100    HB3  CYS  14           HB1      CYS  14  -4.689   0.731  -2.425
  101    H    ILE  15           HN       ILE  15  -6.155  -0.693  -2.596
  102    HA   ILE  15           HA       ILE  15  -7.878  -2.279  -4.352
  103    HB   ILE  15           HB       ILE  15  -7.150  -4.386  -3.300
  104   HG12  ILE  15          HG12      ILE  15  -5.204  -2.526  -1.963
  105   HG13  ILE  15          HG11      ILE  15  -6.154  -3.837  -1.275
  106   HG21  ILE  15          HG21      ILE  15  -5.071  -4.639  -4.586
  107   HG22  ILE  15          HG22      ILE  15  -4.992  -2.888  -4.781
  108   HG23  ILE  15          HG23      ILE  15  -6.322  -3.796  -5.500
  109   HD11  ILE  15          HD11      ILE  15  -3.750  -4.310  -1.344
  110   HD12  ILE  15          HD12      ILE  15  -3.806  -4.219  -3.106
  111   HD13  ILE  15          HD13      ILE  15  -4.706  -5.473  -2.258
  112    HA   PRO  16           HA       PRO  16 -10.412  -1.664  -0.781
  113    HB2  PRO  16           HB2      PRO  16 -12.729  -2.481  -1.863
  114    HB3  PRO  16           HB1      PRO  16 -11.913  -1.012  -2.405
  115    HG2  PRO  16           HG2      PRO  16 -12.175  -3.623  -3.755
  116    HG3  PRO  16           HG1      PRO  16 -11.892  -2.020  -4.450
  117    HD2  PRO  16           HD2      PRO  16  -9.971  -4.085  -3.896
  118    HD3  PRO  16           HD1      PRO  16  -9.682  -2.488  -4.605
  119    H    ASP  17           HN       ASP  17  -9.062  -4.463  -1.262
  120    HA   ASP  17           HA       ASP  17 -11.128  -6.275  -0.351
  121    HB2  ASP  17           HB2      ASP  17  -8.201  -6.830  -0.853
  122    HB3  ASP  17           HB1      ASP  17  -9.476  -8.028  -0.653
  123    H    GLY  18           HN       GLY  18  -8.567  -4.463   1.086
  124    HA2  GLY  18           HA2      GLY  18  -8.187  -4.120   3.349
  125    HA3  GLY  18           HA1      GLY  18  -9.362  -5.367   3.716
  126    H    ASN  19           HN       ASN  19  -6.616  -5.722   1.641
  127    HA   ASN  19           HA       ASN  19  -5.277  -7.441   3.601
  128    HB2  ASN  19           HB2      ASN  19  -4.472  -8.638   1.452
  129    HB3  ASN  19           HB1      ASN  19  -6.127  -8.910   1.980
  130   HD21  ASN  19          HD21      ASN  19  -5.150  -5.909   0.493
  131   HD22  ASN  19          HD22      ASN  19  -6.037  -6.118  -0.966
  132    H    CYS  20           HN       CYS  20  -4.750  -4.704   3.388
  133    HA   CYS  20           HA       CYS  20  -3.166  -3.850   1.379
  134    HB2  CYS  20           HB2      CYS  20  -2.365  -2.077   2.897
  135    HB3  CYS  20           HB1      CYS  20  -4.108  -2.240   2.912
  136    H    ASN  21           HN       ASN  21  -1.861  -4.709   4.590
  137    HA   ASN  21           HA       ASN  21   0.791  -4.500   3.929
  138    HB2  ASN  21           HB2      ASN  21  -0.642  -6.127   5.963
  139    HB3  ASN  21           HB1      ASN  21   1.075  -6.403   5.728
  140   HD21  ASN  21          HD21      ASN  21   1.447  -3.547   5.007
  141   HD22  ASN  21          HD22      ASN  21   1.422  -2.729   6.524
  142    H    LYS  22           HN       LYS  22  -0.998  -7.572   3.986
  143    HA   LYS  22           HA       LYS  22   1.161  -9.044   3.018
  144    HB2  LYS  22           HB2      LYS  22  -0.673 -10.746   2.393
  145    HB3  LYS  22           HB1      LYS  22  -0.431 -10.335   4.082
  146    HG2  LYS  22           HG2      LYS  22  -2.364  -8.884   4.045
  147    HG3  LYS  22           HG1      LYS  22  -2.596  -9.169   2.314
  148    HD2  LYS  22           HD2      LYS  22  -3.004 -11.514   2.727
  149    HD3  LYS  22           HD1      LYS  22  -2.635 -11.320   4.439
  150    HE2  LYS  22           HE2      LYS  22  -4.570  -9.867   4.700
  151    HE3  LYS  22           HE1      LYS  22  -4.918 -10.007   2.981
  152    HZ1  LYS  22           HZ1      LYS  22  -6.321 -11.490   4.199
  153    HZ2  LYS  22           HZ2      LYS  22  -4.998 -12.198   4.975
  154    HZ3  LYS  22           HZ3      LYS  22  -5.213 -12.409   3.312
  155    H    HIS  23           HN       HIS  23  -1.308  -7.272   1.228
  156    HA   HIS  23           HA       HIS  23  -0.911  -8.670  -1.196
  157    HB2  HIS  23           HB2      HIS  23  -2.822  -7.027  -0.578
  158    HB3  HIS  23           HB1      HIS  23  -1.725  -5.785  -1.176
  159    HD1  HIS  23           HD1      HIS  23  -1.542  -5.519  -3.692
  160    HD2  HIS  23           HD2      HIS  23  -3.623  -8.935  -2.567
  161    HE1  HIS  23           HE1      HIS  23  -2.499  -6.459  -5.815
  162    HE2  HIS  23           HE2      HIS  23  -3.948  -8.374  -5.065
  163    H    CYS  24           HN       CYS  24   0.269  -5.406  -0.273
  164    HA   CYS  24           HA       CYS  24   2.024  -4.908  -2.343
  165    HB2  CYS  24           HB2      CYS  24   1.992  -4.190   0.532
  166    HB3  CYS  24           HB1      CYS  24   3.549  -4.073  -0.263
  167    H    ARG  25           HN       ARG  25   2.579  -6.861   0.538
  168    HA   ARG  25           HA       ARG  25   5.384  -7.049   0.050
  169    HB2  ARG  25           HB2      ARG  25   3.679  -8.549   2.023
  170    HB3  ARG  25           HB1      ARG  25   5.415  -8.357   2.074
  171    HG2  ARG  25           HG2      ARG  25   3.434  -6.120   2.265
  172    HG3  ARG  25           HG1      ARG  25   4.265  -6.863   3.637
  173    HD2  ARG  25           HD2      ARG  25   5.828  -5.790   1.346
  174    HD3  ARG  25           HD1      ARG  25   5.214  -4.663   2.555
  175    HE   ARG  25           HE       ARG  25   7.359  -6.577   2.855
  176   HH11  ARG  25          HH11      ARG  25   4.945  -4.715   4.588
  177   HH12  ARG  25          HH12      ARG  25   5.841  -4.684   6.067
  178   HH21  ARG  25          HH21      ARG  25   8.531  -6.550   4.811
  179   HH22  ARG  25          HH22      ARG  25   7.886  -5.718   6.188
  180    H    ASN  26           HN       ASN  26   2.644  -9.019  -0.740
  181    HA   ASN  26           HA       ASN  26   4.332 -11.358  -1.159
  182    HB2  ASN  26           HB2      ASN  26   1.388 -10.886  -1.192
  183    HB3  ASN  26           HB1      ASN  26   2.031 -12.268  -2.068
  184   HD21  ASN  26          HD21      ASN  26   1.511 -10.840   1.015
  185   HD22  ASN  26          HD22      ASN  26   1.904 -12.228   1.972
  186    H    ASN  27           HN       ASN  27   2.344  -9.166  -3.104
  187    HA   ASN  27           HA       ASN  27   3.071 -10.613  -5.506
  188    HB2  ASN  27           HB2      ASN  27   1.355  -9.521  -6.572
  189    HB3  ASN  27           HB1      ASN  27   0.785  -9.418  -4.915
  190   HD21  ASN  27          HD21      ASN  27   1.134  -7.420  -3.764
  191   HD22  ASN  27          HD22      ASN  27   1.211  -5.928  -4.661
  192    H    GLU  28           HN       GLU  28   3.820  -7.494  -4.017
  193    HA   GLU  28           HA       GLU  28   5.643  -6.973  -6.266
  194    HB2  GLU  28           HB2      GLU  28   3.602  -5.448  -5.758
  195    HB3  GLU  28           HB1      GLU  28   4.595  -4.830  -4.446
  196    HG2  GLU  28           HG2      GLU  28   6.285  -4.117  -5.998
  197    HG3  GLU  28           HG1      GLU  28   5.427  -4.877  -7.335
  198    H    HIS  29           HN       HIS  29   5.367  -7.358  -2.862
  199    HA   HIS  29           HA       HIS  29   6.859  -7.564  -1.196
  200    HB2  HIS  29           HB2      HIS  29   8.002  -9.029  -2.866
  201    HB3  HIS  29           HB1      HIS  29   8.965  -7.645  -3.362
  202    HD1  HIS  29           HD1      HIS  29   8.282  -9.612  -0.165
  203    HD2  HIS  29           HD2      HIS  29  11.299  -7.443  -2.029
  204    HE1  HIS  29           HE1      HIS  29  10.293  -9.829   1.325
  205    HE2  HIS  29           HE2      HIS  29  12.052  -8.376   0.257
  206    H    LEU  30           HN       LEU  30   6.042  -5.152  -1.167
  207    HA   LEU  30           HA       LEU  30   8.258  -3.306  -1.541
  208    HB2  LEU  30           HB2      LEU  30   5.528  -2.619  -0.492
  209    HB3  LEU  30           HB1      LEU  30   6.740  -1.522  -1.100
  210    HG   LEU  30           HG       LEU  30   5.000  -3.412  -2.654
  211   HD11  LEU  30          HD11      LEU  30   4.110  -1.202  -2.109
  212   HD12  LEU  30          HD12      LEU  30   4.406  -1.371  -3.842
  213   HD13  LEU  30          HD13      LEU  30   5.530  -0.453  -2.839
  214   HD21  LEU  30          HD21      LEU  30   6.278  -2.704  -4.654
  215   HD22  LEU  30          HD22      LEU  30   7.208  -3.722  -3.554
  216   HD23  LEU  30          HD23      LEU  30   7.482  -1.979  -3.590
  217    H    LEU  31           HN       LEU  31   7.791  -1.462   0.481
  218    HA   LEU  31           HA       LEU  31   9.271  -2.847   2.490
  219    HB2  LEU  31           HB2      LEU  31   8.739   0.011   1.861
  220    HB3  LEU  31           HB1      LEU  31   9.605  -0.474   3.313
  221    HG   LEU  31           HG       LEU  31  10.925  -1.902   1.729
  222   HD11  LEU  31          HD11      LEU  31  11.218  -1.141  -0.491
  223   HD12  LEU  31          HD12      LEU  31  10.064   0.155  -0.200
  224   HD13  LEU  31          HD13      LEU  31   9.522  -1.523  -0.181
  225   HD21  LEU  31          HD21      LEU  31  11.305   1.069   1.670
  226   HD22  LEU  31          HD22      LEU  31  12.571  -0.139   1.414
  227   HD23  LEU  31          HD23      LEU  31  11.807   0.017   2.998
  228    H    SER  32           HN       SER  32   6.570  -0.544   2.623
  229    HA   SER  32           HA       SER  32   6.093  -1.458   5.361
  230    HB2  SER  32           HB2      SER  32   6.008   1.017   4.780
  231    HB3  SER  32           HB1      SER  32   4.487   0.664   3.973
  232    HG   SER  32           HG       SER  32   5.088   0.283   6.718
  233    H    GLY  33           HN       GLY  33   4.754  -1.785   2.275
  234    HA2  GLY  33           HA2      GLY  33   3.552  -3.585   1.611
  235    HA3  GLY  33           HA1      GLY  33   3.436  -4.100   3.263
  236    H    ARG  34           HN       ARG  34   2.262  -1.012   3.381
  237    HA   ARG  34           HA       ARG  34  -0.345  -2.199   3.785
  238    HB2  ARG  34           HB2      ARG  34   1.170   0.071   4.663
  239    HB3  ARG  34           HB1      ARG  34  -0.430   0.612   4.190
  240    HG2  ARG  34           HG2      ARG  34  -1.395  -0.998   5.795
  241    HG3  ARG  34           HG1      ARG  34   0.236  -1.509   6.246
  242    HD2  ARG  34           HD2      ARG  34  -0.850   1.299   6.487
  243    HD3  ARG  34           HD1      ARG  34  -0.670   0.171   7.819
  244    HE   ARG  34           HE       ARG  34   1.803   0.457   6.503
  245   HH11  ARG  34          HH11      ARG  34  -0.362   2.240   8.597
  246   HH12  ARG  34          HH12      ARG  34   0.894   3.236   9.255
  247   HH21  ARG  34          HH21      ARG  34   3.452   1.763   7.346
  248   HH22  ARG  34          HH22      ARG  34   3.075   2.976   8.530
  249    H    CYS  35           HN       CYS  35  -0.592  -2.606   1.261
  250    HA   CYS  35           HA       CYS  35  -1.633  -0.176   0.025
  251    HB2  CYS  35           HB2      CYS  35  -0.077  -1.908  -1.170
  252    HB3  CYS  35           HB1      CYS  35  -1.597  -2.745  -1.471
  253    H    ARG  36           HN       ARG  36  -3.665   0.372   0.343
  254    HA   ARG  36           HA       ARG  36  -5.721  -1.574  -0.345
  255    HB2  ARG  36           HB2      ARG  36  -5.346  -0.428   2.324
  256    HB3  ARG  36           HB1      ARG  36  -6.976  -0.297   1.705
  257    HG2  ARG  36           HG2      ARG  36  -7.095  -2.695   1.431
  258    HG3  ARG  36           HG1      ARG  36  -5.433  -2.873   1.972
  259    HD2  ARG  36           HD2      ARG  36  -6.505  -1.394   3.991
  260    HD3  ARG  36           HD1      ARG  36  -7.879  -2.360   3.477
  261    HE   ARG  36           HE       ARG  36  -6.036  -4.234   3.803
  262   HH11  ARG  36          HH11      ARG  36  -6.932  -1.548   5.861
  263   HH12  ARG  36          HH12      ARG  36  -6.651  -2.418   7.332
  264   HH21  ARG  36          HH21      ARG  36  -5.684  -5.392   5.767
  265   HH22  ARG  36          HH22      ARG  36  -5.951  -4.585   7.280
  266    H    ASP  37           HN       ASP  37  -7.952  -0.314  -0.257
  267    HA   ASP  37           HA       ASP  37  -7.557   2.366  -1.389
  268    HB2  ASP  37           HB2      ASP  37  -7.873   0.993  -3.302
  269    HB3  ASP  37           HB1      ASP  37  -9.174   0.093  -2.528
  270    H    ASP  38           HN       ASP  38 -10.313   0.227  -0.751
  271    HA   ASP  38           HA       ASP  38 -12.049   2.220   0.159
  272    HB2  ASP  38           HB2      ASP  38 -12.844   0.041  -0.584
  273    HB3  ASP  38           HB1      ASP  38 -12.006  -0.747   0.747
  274    H    PHE  39           HN       PHE  39  -9.812   0.130   1.816
  275    HA   PHE  39           HA       PHE  39 -10.143   1.659   4.296
  276    HB2  PHE  39           HB2      PHE  39  -8.351  -0.717   3.990
  277    HB3  PHE  39           HB1      PHE  39  -9.144  -0.123   5.436
  278    HD1  PHE  39           HD1      PHE  39 -11.479  -0.617   5.878
  279    HD2  PHE  39           HD2      PHE  39  -9.494  -2.226   2.458
  280    HE1  PHE  39           HE1      PHE  39 -13.291  -2.254   5.596
  281    HE2  PHE  39           HE2      PHE  39 -11.312  -3.854   2.179
  282    HZ   PHE  39           HZ       PHE  39 -13.208  -3.871   3.744
  283    H    ARG  40           HN       ARG  40  -7.860   2.105   5.358
  284    HA   ARG  40           HA       ARG  40  -6.245   3.168   3.141
  285    HB2  ARG  40           HB2      ARG  40  -5.773   5.127   4.621
  286    HB3  ARG  40           HB1      ARG  40  -7.457   4.981   4.149
  287    HG2  ARG  40           HG2      ARG  40  -8.016   4.047   6.311
  288    HG3  ARG  40           HG1      ARG  40  -6.320   4.099   6.792
  289    HD2  ARG  40           HD2      ARG  40  -7.416   5.983   7.761
  290    HD3  ARG  40           HD1      ARG  40  -6.378   6.565   6.462
  291    HE   ARG  40           HE       ARG  40  -8.927   6.160   5.397
  292   HH11  ARG  40          HH11      ARG  40  -7.330   8.220   7.734
  293   HH12  ARG  40          HH12      ARG  40  -8.435   9.541   7.519
  294   HH21  ARG  40          HH21      ARG  40 -10.385   7.908   5.109
  295   HH22  ARG  40          HH22      ARG  40 -10.174   9.360   6.032
  296    H    CYS  41           HN       CYS  41  -4.317   2.387   3.058
  297    HA   CYS  41           HA       CYS  41  -2.843   1.792   5.513
  298    HB2  CYS  41           HB2      CYS  41  -3.484  -0.001   3.224
  299    HB3  CYS  41           HB1      CYS  41  -1.939  -0.208   4.019
  300    H    TRP  42           HN       TRP  42  -0.627   2.409   5.485
  301    HA   TRP  42           HA       TRP  42   0.407   3.881   3.193
  302    HB2  TRP  42           HB2      TRP  42   1.625   3.300   5.900
  303    HB3  TRP  42           HB1      TRP  42   2.362   4.316   4.674
  304    HD1  TRP  42           HD1      TRP  42  -0.525   4.284   7.195
  305    HE1  TRP  42           HE1      TRP  42  -1.269   6.714   7.602
  306    HE3  TRP  42           HE3      TRP  42   2.324   6.617   3.654
  307    HZ2  TRP  42           HZ2      TRP  42  -0.728   9.270   6.544
  308    HZ3  TRP  42           HZ3      TRP  42   2.159   9.045   3.414
  309    HH2  TRP  42           HH2      TRP  42   0.661  10.357   4.820
  310    H    CYS  43           HN       CYS  43   1.261   2.558   1.525
  311    HA   CYS  43           HA       CYS  43   3.094   0.433   2.414
  312    HB2  CYS  43           HB2      CYS  43   1.336  -0.068   0.634
  313    HB3  CYS  43           HB1      CYS  43   2.297   0.928  -0.464
  314    H    THR  44           HN       THR  44   5.236   0.701   2.338
  315    HA   THR  44           HA       THR  44   6.240   3.227   1.282
  316    HB   THR  44           HB       THR  44   7.639   1.185   3.026
  317    HG1  THR  44           HG1      THR  44   5.820   3.141   3.633
  318   HG21  THR  44          HG21      THR  44   9.153   3.086   3.540
  319   HG22  THR  44          HG22      THR  44   8.347   4.017   2.276
  320   HG23  THR  44          HG23      THR  44   9.229   2.550   1.863
  321    H    ASN  45           HN       ASN  45   7.540   3.301  -0.455
  322    HA   ASN  45           HA       ASN  45   8.903   0.888  -1.345
  323    HB2  ASN  45           HB2      ASN  45   6.582   1.221  -2.493
  324    HB3  ASN  45           HB1      ASN  45   7.391   2.516  -3.358
  325   HD21  ASN  45          HD21      ASN  45   8.808  -0.499  -2.310
  326   HD22  ASN  45          HD22      ASN  45   9.146  -1.104  -3.898
  327    H    ARG  46           HN       ARG  46  10.037   1.827  -3.665
  328    HA   ARG  46           HA       ARG  46  11.583   4.106  -2.618
  329    HB2  ARG  46           HB2      ARG  46  12.464   2.100  -4.695
  330    HB3  ARG  46           HB1      ARG  46  13.459   3.283  -3.859
  331    HG2  ARG  46           HG2      ARG  46  13.645   2.028  -1.994
  332    HG3  ARG  46           HG1      ARG  46  12.031   1.331  -2.170
  333    HD2  ARG  46           HD2      ARG  46  12.857  -0.041  -4.032
  334    HD3  ARG  46           HD1      ARG  46  14.474   0.617  -3.785
  335    HE   ARG  46           HE       ARG  46  14.310  -0.407  -1.495
  336   HH11  ARG  46          HH11      ARG  46  12.506  -1.682  -4.212
  337   HH12  ARG  46          HH12      ARG  46  12.459  -3.298  -3.589
  338   HH21  ARG  46          HH21      ARG  46  14.256  -2.545  -0.669
  339   HH22  ARG  46          HH22      ARG  46  13.464  -3.793  -1.579
  340    H    CYS  47           HN       CYS  47  11.770   5.928  -3.823
  341    HA   CYS  47           HA       CYS  47  10.488   5.878  -6.464
  342    HB2  CYS  47           HB2      CYS  47   9.766   8.177  -6.093
  343    HB3  CYS  47           HB1      CYS  47   9.149   7.127  -4.826
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  13.328   6.024   7.187
    2    H2   LYS   1           HT2      LYS   1  12.963   7.216   6.046
    3    H3   LYS   1           HT3      LYS   1  14.363   6.286   5.877
    4    HA   LYS   1           HA       LYS   1  13.075   4.311   5.525
    5    HB2  LYS   1           HB2      LYS   1  10.637   4.460   5.256
    6    HB3  LYS   1           HB1      LYS   1  11.130   4.910   6.882
    7    HG2  LYS   1           HG2      LYS   1  10.882   7.254   6.338
    8    HG3  LYS   1           HG1      LYS   1  10.463   6.843   4.676
    9    HD2  LYS   1           HD2      LYS   1   8.475   5.663   5.468
   10    HD3  LYS   1           HD1      LYS   1   8.904   6.050   7.135
   11    HE2  LYS   1           HE2      LYS   1   8.304   8.075   4.980
   12    HE3  LYS   1           HE1      LYS   1   7.168   7.549   6.220
   13    HZ1  LYS   1           HZ1      LYS   1   8.183   9.612   6.862
   14    HZ2  LYS   1           HZ2      LYS   1   9.735   8.973   6.673
   15    HZ3  LYS   1           HZ3      LYS   1   8.726   8.394   7.899
   16    H    THR   2           HN       THR   2  11.447   4.110   3.467
   17    HA   THR   2           HA       THR   2  12.672   5.780   1.396
   18    HB   THR   2           HB       THR   2  11.997   4.106  -0.210
   19    HG1  THR   2           HG1      THR   2  10.132   3.288   0.602
   20   HG21  THR   2          HG21      THR   2  13.342   2.204   0.598
   21   HG22  THR   2          HG22      THR   2  13.337   2.920   2.212
   22   HG23  THR   2          HG23      THR   2  14.127   3.758   0.874
   23    H    CYS   3           HN       CYS   3  10.983   5.832  -0.588
   24    HA   CYS   3           HA       CYS   3   9.127   7.794   0.090
   25    HB2  CYS   3           HB2      CYS   3   8.867   5.921  -2.269
   26    HB3  CYS   3           HB1      CYS   3   8.261   7.569  -2.134
   27    H    GLU   4           HN       GLU   4   7.452   7.559   1.376
   28    HA   GLU   4           HA       GLU   4   5.881   5.079   1.210
   29    HB2  GLU   4           HB2      GLU   4   6.940   5.317   3.394
   30    HB3  GLU   4           HB1      GLU   4   6.290   6.946   3.553
   31    HG2  GLU   4           HG2      GLU   4   3.987   5.948   3.447
   32    HG3  GLU   4           HG1      GLU   4   4.750   4.351   3.559
   33    H    ASN   5           HN       ASN   5   3.769   5.269   0.728
   34    HA   ASN   5           HA       ASN   5   2.493   7.828   1.206
   35    HB2  ASN   5           HB2      ASN   5   3.399   7.766  -1.198
   36    HB3  ASN   5           HB1      ASN   5   2.132   6.577  -1.481
   37   HD21  ASN   5          HD21      ASN   5   0.032   7.150  -1.397
   38   HD22  ASN   5          HD22      ASN   5  -0.483   8.786  -1.359
   39    H    LEU   6           HN       LEU   6   0.210   7.734   0.914
   40    HA   LEU   6           HA       LEU   6  -0.719   5.251   2.067
   41    HB2  LEU   6           HB2      LEU   6  -1.094   7.826   2.849
   42    HB3  LEU   6           HB1      LEU   6  -2.587   7.508   1.985
   43    HG   LEU   6           HG       LEU   6  -1.516   5.953   4.367
   44   HD11  LEU   6          HD11      LEU   6  -3.587   6.799   5.433
   45   HD12  LEU   6          HD12      LEU   6  -3.890   7.786   4.004
   46   HD13  LEU   6          HD13      LEU   6  -2.464   8.085   4.995
   47   HD21  LEU   6          HD21      LEU   6  -2.585   4.400   2.943
   48   HD22  LEU   6          HD22      LEU   6  -3.935   5.504   2.641
   49   HD23  LEU   6          HD23      LEU   6  -3.705   4.800   4.244
   50    H    SER   7           HN       SER   7  -2.045   3.901   1.106
   51    HA   SER   7           HA       SER   7  -3.169   4.640  -1.469
   52    HB2  SER   7           HB2      SER   7  -3.643   2.160  -1.595
   53    HB3  SER   7           HB1      SER   7  -1.940   2.596  -1.553
   54    HG   SER   7           HG       SER   7  -1.959   2.094   0.692
   55    H    GLY   8           HN       GLY   8  -5.232   5.126  -1.661
   56    HA2  GLY   8           HA2      GLY   8  -7.409   3.859  -0.570
   57    HA3  GLY   8           HA1      GLY   8  -6.995   5.119   0.587
   58    H    THR   9           HN       THR   9  -9.107   6.028   0.044
   59    HA   THR   9           HA       THR   9  -9.758   6.989  -2.488
   60    HB   THR   9           HB       THR   9 -11.422   6.927  -0.739
   61    HG1  THR   9           HG1      THR   9 -11.469   9.636  -0.955
   62   HG21  THR   9          HG21      THR   9 -10.021   7.437   1.190
   63   HG22  THR   9          HG22      THR   9 -11.419   8.510   1.134
   64   HG23  THR   9          HG23      THR   9  -9.833   9.099   0.630
   65    H    PHE  10           HN       PHE  10  -8.129   8.695   0.188
   66    HA   PHE  10           HA       PHE  10  -7.148  10.695  -1.667
   67    HB2  PHE  10           HB2      PHE  10  -5.929  11.484   0.506
   68    HB3  PHE  10           HB1      PHE  10  -7.650  11.777   0.312
   69    HD1  PHE  10           HD1      PHE  10  -9.223  10.832   1.755
   70    HD2  PHE  10           HD2      PHE  10  -5.150   9.638   2.007
   71    HE1  PHE  10           HE1      PHE  10  -9.692   9.707   3.893
   72    HE2  PHE  10           HE2      PHE  10  -5.616   8.505   4.142
   73    HZ   PHE  10           HZ       PHE  10  -7.886   8.537   5.084
   74    H    LYS  11           HN       LYS  11  -4.973  11.015  -2.128
   75    HA   LYS  11           HA       LYS  11  -2.763  10.605  -2.336
   76    HB2  LYS  11           HB2      LYS  11  -3.377   8.953   0.034
   77    HB3  LYS  11           HB1      LYS  11  -1.904   8.563  -0.825
   78    HG2  LYS  11           HG2      LYS  11  -1.062  10.054   0.645
   79    HG3  LYS  11           HG1      LYS  11  -1.551  11.187  -0.615
   80    HD2  LYS  11           HD2      LYS  11  -3.604  11.669   0.546
   81    HD3  LYS  11           HD1      LYS  11  -3.253  10.417   1.745
   82    HE2  LYS  11           HE2      LYS  11  -1.300  11.657   2.496
   83    HE3  LYS  11           HE1      LYS  11  -1.578  12.882   1.261
   84    HZ1  LYS  11           HZ1      LYS  11  -2.380  13.586   3.426
   85    HZ2  LYS  11           HZ2      LYS  11  -3.418  12.252   3.502
   86    HZ3  LYS  11           HZ3      LYS  11  -3.661  13.445   2.331
   87    H    GLY  12           HN       GLY  12  -5.070   8.808  -3.455
   88    HA2  GLY  12           HA2      GLY  12  -4.940   7.499  -5.408
   89    HA3  GLY  12           HA1      GLY  12  -3.244   7.202  -5.072
   90    HA   PRO  13           HA       PRO  13  -6.211   3.918  -3.129
   91    HB2  PRO  13           HB2      PRO  13  -7.587   2.708  -5.061
   92    HB3  PRO  13           HB1      PRO  13  -8.124   4.252  -4.389
   93    HG2  PRO  13           HG2      PRO  13  -6.611   3.718  -6.921
   94    HG3  PRO  13           HG1      PRO  13  -8.016   4.769  -6.666
   95    HD2  PRO  13           HD2      PRO  13  -5.440   5.674  -6.748
   96    HD3  PRO  13           HD1      PRO  13  -6.732   6.476  -5.832
   97    H    CYS  14           HN       CYS  14  -6.384   1.455  -3.588
   98    HA   CYS  14           HA       CYS  14  -4.346   0.419  -5.371
   99    HB2  CYS  14           HB2      CYS  14  -3.316   0.927  -3.060
  100    HB3  CYS  14           HB1      CYS  14  -4.249  -0.448  -2.486
  101    H    ILE  15           HN       ILE  15  -5.973  -1.121  -2.566
  102    HA   ILE  15           HA       ILE  15  -7.801  -2.507  -4.376
  103    HB   ILE  15           HB       ILE  15  -7.327  -4.707  -3.354
  104   HG12  ILE  15          HG12      ILE  15  -4.839  -3.382  -2.255
  105   HG13  ILE  15          HG11      ILE  15  -6.259  -3.785  -1.294
  106   HG21  ILE  15          HG21      ILE  15  -4.976  -3.448  -4.759
  107   HG22  ILE  15          HG22      ILE  15  -6.389  -4.173  -5.529
  108   HG23  ILE  15          HG23      ILE  15  -5.274  -5.180  -4.604
  109   HD11  ILE  15          HD11      ILE  15  -5.945  -6.135  -1.797
  110   HD12  ILE  15          HD12      ILE  15  -4.513  -5.439  -1.040
  111   HD13  ILE  15          HD13      ILE  15  -4.533  -5.742  -2.779
  112    HA   PRO  16           HA       PRO  16 -10.268  -1.653  -0.817
  113    HB2  PRO  16           HB2      PRO  16 -12.661  -2.359  -1.852
  114    HB3  PRO  16           HB1      PRO  16 -11.776  -0.922  -2.374
  115    HG2  PRO  16           HG2      PRO  16 -12.230  -3.454  -3.790
  116    HG3  PRO  16           HG1      PRO  16 -11.783  -1.871  -4.435
  117    HD2  PRO  16           HD2      PRO  16 -10.082  -4.136  -3.908
  118    HD3  PRO  16           HD1      PRO  16  -9.645  -2.574  -4.620
  119    H    ASP  17           HN       ASP  17  -8.938  -4.102  -0.392
  120    HA   ASP  17           HA       ASP  17 -11.140  -5.812   0.574
  121    HB2  ASP  17           HB2      ASP  17  -8.306  -6.627  -0.049
  122    HB3  ASP  17           HB1      ASP  17  -9.578  -7.695   0.524
  123    H    GLY  18           HN       GLY  18  -8.377  -3.978   1.536
  124    HA2  GLY  18           HA2      GLY  18  -8.077  -3.233   3.759
  125    HA3  GLY  18           HA1      GLY  18  -9.023  -4.593   4.323
  126    H    ASN  19           HN       ASN  19  -7.069  -5.944   2.233
  127    HA   ASN  19           HA       ASN  19  -5.197  -6.801   4.293
  128    HB2  ASN  19           HB2      ASN  19  -4.660  -8.522   2.406
  129    HB3  ASN  19           HB1      ASN  19  -6.159  -8.671   3.306
  130   HD21  ASN  19          HD21      ASN  19  -5.584  -6.231   0.874
  131   HD22  ASN  19          HD22      ASN  19  -6.738  -6.820  -0.262
  132    H    CYS  20           HN       CYS  20  -4.310  -4.514   3.909
  133    HA   CYS  20           HA       CYS  20  -3.182  -3.835   1.491
  134    HB2  CYS  20           HB2      CYS  20  -2.147  -1.986   2.710
  135    HB3  CYS  20           HB1      CYS  20  -3.838  -2.165   3.094
  136    H    ASN  21           HN       ASN  21  -1.613  -5.190   4.396
  137    HA   ASN  21           HA       ASN  21   1.020  -4.863   3.384
  138    HB2  ASN  21           HB2      ASN  21  -0.145  -6.550   5.591
  139    HB3  ASN  21           HB1      ASN  21   1.550  -6.694   5.145
  140   HD21  ASN  21          HD21      ASN  21  -0.143  -3.673   4.919
  141   HD22  ASN  21          HD22      ASN  21   0.624  -2.908   6.266
  142    H    LYS  22           HN       LYS  22  -1.079  -7.745   3.448
  143    HA   LYS  22           HA       LYS  22   0.881  -9.458   2.423
  144    HB2  LYS  22           HB2      LYS  22  -0.862 -11.061   2.063
  145    HB3  LYS  22           HB1      LYS  22  -1.188 -10.213   3.567
  146    HG2  LYS  22           HG2      LYS  22  -2.804  -8.791   2.367
  147    HG3  LYS  22           HG1      LYS  22  -2.512  -9.742   0.915
  148    HD2  LYS  22           HD2      LYS  22  -4.498 -10.568   1.944
  149    HD3  LYS  22           HD1      LYS  22  -3.225 -11.763   2.185
  150    HE2  LYS  22           HE2      LYS  22  -2.903 -11.037   4.457
  151    HE3  LYS  22           HE1      LYS  22  -4.029  -9.700   4.231
  152    HZ1  LYS  22           HZ1      LYS  22  -5.825 -11.245   3.984
  153    HZ2  LYS  22           HZ2      LYS  22  -4.999 -11.612   5.412
  154    HZ3  LYS  22           HZ3      LYS  22  -4.773 -12.565   4.035
  155    H    HIS  23           HN       HIS  23  -1.345  -7.283   0.800
  156    HA   HIS  23           HA       HIS  23  -0.951  -8.395  -1.790
  157    HB2  HIS  23           HB2      HIS  23  -2.844  -6.847  -1.153
  158    HB3  HIS  23           HB1      HIS  23  -1.680  -5.525  -1.195
  159    HD1  HIS  23           HD1      HIS  23  -1.123  -4.545  -3.471
  160    HD2  HIS  23           HD2      HIS  23  -3.319  -8.070  -3.711
  161    HE1  HIS  23           HE1      HIS  23  -1.758  -4.788  -5.888
  162    HE2  HIS  23           HE2      HIS  23  -2.937  -7.009  -6.037
  163    H    CYS  24           HN       CYS  24   0.422  -5.497  -0.213
  164    HA   CYS  24           HA       CYS  24   2.222  -4.879  -2.291
  165    HB2  CYS  24           HB2      CYS  24   1.902  -4.071   0.530
  166    HB3  CYS  24           HB1      CYS  24   3.528  -3.994  -0.089
  167    H    ARG  25           HN       ARG  25   2.411  -7.231   0.314
  168    HA   ARG  25           HA       ARG  25   5.278  -7.468  -0.011
  169    HB2  ARG  25           HB2      ARG  25   3.392  -9.048   1.700
  170    HB3  ARG  25           HB1      ARG  25   5.129  -9.279   1.671
  171    HG2  ARG  25           HG2      ARG  25   3.493  -7.201   2.922
  172    HG3  ARG  25           HG1      ARG  25   4.993  -7.942   3.470
  173    HD2  ARG  25           HD2      ARG  25   6.050  -6.567   1.498
  174    HD3  ARG  25           HD1      ARG  25   4.573  -5.645   1.618
  175    HE   ARG  25           HE       ARG  25   6.783  -5.284   3.199
  176   HH11  ARG  25          HH11      ARG  25   3.365  -5.835   3.858
  177   HH12  ARG  25          HH12      ARG  25   3.449  -5.175   5.459
  178   HH21  ARG  25          HH21      ARG  25   6.855  -4.422   5.308
  179   HH22  ARG  25          HH22      ARG  25   5.414  -4.388   6.275
  180    H    ASN  26           HN       ASN  26   2.453  -9.528  -0.566
  181    HA   ASN  26           HA       ASN  26   4.038 -11.738  -1.444
  182    HB2  ASN  26           HB2      ASN  26   1.098 -11.159  -1.460
  183    HB3  ASN  26           HB1      ASN  26   1.727 -12.530  -2.361
  184   HD21  ASN  26          HD21      ASN  26   1.239 -11.153   0.762
  185   HD22  ASN  26          HD22      ASN  26   1.524 -12.592   1.679
  186    H    ASN  27           HN       ASN  27   2.382  -9.112  -3.026
  187    HA   ASN  27           HA       ASN  27   2.790 -10.290  -5.631
  188    HB2  ASN  27           HB2      ASN  27   1.584  -7.639  -4.830
  189    HB3  ASN  27           HB1      ASN  27   1.627  -8.273  -6.473
  190   HD21  ASN  27          HD21      ASN  27   0.232  -8.595  -3.304
  191   HD22  ASN  27          HD22      ASN  27  -1.073  -9.641  -3.777
  192    H    GLU  28           HN       GLU  28   3.851  -7.329  -3.936
  193    HA   GLU  28           HA       GLU  28   5.861  -7.016  -6.064
  194    HB2  GLU  28           HB2      GLU  28   4.000  -5.284  -5.725
  195    HB3  GLU  28           HB1      GLU  28   4.871  -4.813  -4.274
  196    HG2  GLU  28           HG2      GLU  28   5.460  -3.353  -6.075
  197    HG3  GLU  28           HG1      GLU  28   6.854  -4.349  -5.658
  198    H    HIS  29           HN       HIS  29   5.370  -7.267  -2.640
  199    HA   HIS  29           HA       HIS  29   6.738  -7.624  -0.925
  200    HB2  HIS  29           HB2      HIS  29   7.967  -9.179  -2.453
  201    HB3  HIS  29           HB1      HIS  29   9.045  -7.843  -2.862
  202    HD1  HIS  29           HD1      HIS  29   7.750  -9.291   0.412
  203    HD2  HIS  29           HD2      HIS  29  11.294  -8.014  -1.343
  204    HE1  HIS  29           HE1      HIS  29   9.458  -9.365   2.235
  205    HE2  HIS  29           HE2      HIS  29  11.614  -8.618   1.154
  206    H    LEU  30           HN       LEU  30   6.027  -5.145  -1.157
  207    HA   LEU  30           HA       LEU  30   8.337  -3.424  -1.295
  208    HB2  LEU  30           HB2      LEU  30   5.547  -2.691  -0.454
  209    HB3  LEU  30           HB1      LEU  30   6.845  -1.589  -0.857
  210    HG   LEU  30           HG       LEU  30   5.247  -3.342  -2.702
  211   HD11  LEU  30          HD11      LEU  30   4.324  -1.172  -2.254
  212   HD12  LEU  30          HD12      LEU  30   4.969  -1.198  -3.897
  213   HD13  LEU  30          HD13      LEU  30   5.869  -0.401  -2.605
  214   HD21  LEU  30          HD21      LEU  30   6.773  -2.633  -4.509
  215   HD22  LEU  30          HD22      LEU  30   7.541  -3.706  -3.339
  216   HD23  LEU  30          HD23      LEU  30   7.865  -1.972  -3.292
  217    H    LEU  31           HN       LEU  31   7.870  -1.566   0.697
  218    HA   LEU  31           HA       LEU  31   9.289  -3.103   2.718
  219    HB2  LEU  31           HB2      LEU  31   9.024  -0.122   2.547
  220    HB3  LEU  31           HB1      LEU  31  10.280  -1.052   3.350
  221    HG   LEU  31           HG       LEU  31   9.796  -0.836   0.386
  222   HD11  LEU  31          HD11      LEU  31  12.115   0.027   2.118
  223   HD12  LEU  31          HD12      LEU  31  10.921   1.094   1.379
  224   HD13  LEU  31          HD13      LEU  31  12.033   0.173   0.364
  225   HD21  LEU  31          HD21      LEU  31  10.451  -3.089   0.864
  226   HD22  LEU  31          HD22      LEU  31  11.779  -2.539   1.888
  227   HD23  LEU  31          HD23      LEU  31  11.821  -2.238   0.150
  228    H    SER  32           HN       SER  32   6.638  -0.686   2.704
  229    HA   SER  32           HA       SER  32   6.075  -1.468   5.497
  230    HB2  SER  32           HB2      SER  32   6.071   1.013   4.718
  231    HB3  SER  32           HB1      SER  32   4.548   0.611   3.946
  232    HG   SER  32           HG       SER  32   4.876  -0.074   6.633
  233    H    GLY  33           HN       GLY  33   5.071  -1.715   2.299
  234    HA2  GLY  33           HA2      GLY  33   3.600  -2.986   1.234
  235    HA3  GLY  33           HA1      GLY  33   3.600  -4.040   2.625
  236    H    ARG  34           HN       ARG  34   2.454  -0.762   3.111
  237    HA   ARG  34           HA       ARG  34  -0.119  -1.912   3.743
  238    HB2  ARG  34           HB2      ARG  34   1.435   0.490   4.229
  239    HB3  ARG  34           HB1      ARG  34  -0.258   0.869   4.022
  240    HG2  ARG  34           HG2      ARG  34  -0.787  -0.677   5.867
  241    HG3  ARG  34           HG1      ARG  34   0.936  -1.041   6.040
  242    HD2  ARG  34           HD2      ARG  34   1.430   1.214   6.644
  243    HD3  ARG  34           HD1      ARG  34  -0.195   1.754   6.220
  244    HE   ARG  34           HE       ARG  34  -0.715   0.002   8.162
  245   HH11  ARG  34          HH11      ARG  34   1.754   2.484   7.995
  246   HH12  ARG  34          HH12      ARG  34   1.643   2.885   9.678
  247   HH21  ARG  34          HH21      ARG  34  -0.859   0.526  10.381
  248   HH22  ARG  34          HH22      ARG  34   0.158   1.771  11.037
  249    H    CYS  35           HN       CYS  35  -0.546  -2.568   1.329
  250    HA   CYS  35           HA       CYS  35  -1.638  -0.327  -0.198
  251    HB2  CYS  35           HB2      CYS  35  -0.462  -1.443  -1.771
  252    HB3  CYS  35           HB1      CYS  35  -0.636  -2.987  -0.947
  253    H    ARG  36           HN       ARG  36  -3.740   0.262   0.158
  254    HA   ARG  36           HA       ARG  36  -5.647  -1.644  -0.816
  255    HB2  ARG  36           HB2      ARG  36  -7.254  -1.223   1.156
  256    HB3  ARG  36           HB1      ARG  36  -6.014  -2.448   1.314
  257    HG2  ARG  36           HG2      ARG  36  -4.641  -0.641   2.442
  258    HG3  ARG  36           HG1      ARG  36  -6.147   0.260   2.558
  259    HD2  ARG  36           HD2      ARG  36  -7.127  -1.807   3.619
  260    HD3  ARG  36           HD1      ARG  36  -5.500  -2.431   3.766
  261    HE   ARG  36           HE       ARG  36  -5.666   0.180   4.853
  262   HH11  ARG  36          HH11      ARG  36  -6.514  -3.144   5.625
  263   HH12  ARG  36          HH12      ARG  36  -6.572  -2.848   7.332
  264   HH21  ARG  36          HH21      ARG  36  -5.749   0.539   7.101
  265   HH22  ARG  36          HH22      ARG  36  -6.142  -0.774   8.163
  266    H    ASP  37           HN       ASP  37  -8.015  -0.543  -0.465
  267    HA   ASP  37           HA       ASP  37  -7.711   2.165  -1.588
  268    HB2  ASP  37           HB2      ASP  37  -8.215   0.813  -3.449
  269    HB3  ASP  37           HB1      ASP  37  -9.381  -0.144  -2.544
  270    H    ASP  38           HN       ASP  38 -10.496   0.145  -0.708
  271    HA   ASP  38           HA       ASP  38 -12.092   2.179   0.290
  272    HB2  ASP  38           HB2      ASP  38 -12.904  -0.087  -0.215
  273    HB3  ASP  38           HB1      ASP  38 -12.012  -0.713   1.166
  274    H    PHE  39           HN       PHE  39  -9.797   0.100   1.928
  275    HA   PHE  39           HA       PHE  39  -9.932   1.801   4.313
  276    HB2  PHE  39           HB2      PHE  39  -8.363  -0.738   3.988
  277    HB3  PHE  39           HB1      PHE  39  -8.870   0.022   5.482
  278    HD1  PHE  39           HD1      PHE  39 -11.257  -0.059   6.145
  279    HD2  PHE  39           HD2      PHE  39  -9.755  -2.301   2.839
  280    HE1  PHE  39           HE1      PHE  39 -13.261  -1.483   6.204
  281    HE2  PHE  39           HE2      PHE  39 -11.764  -3.717   2.898
  282    HZ   PHE  39           HZ       PHE  39 -13.518  -3.313   4.578
  283    H    ARG  40           HN       ARG  40  -7.588   2.257   5.237
  284    HA   ARG  40           HA       ARG  40  -6.047   3.096   2.872
  285    HB2  ARG  40           HB2      ARG  40  -6.523   4.716   5.385
  286    HB3  ARG  40           HB1      ARG  40  -5.545   5.216   4.015
  287    HG2  ARG  40           HG2      ARG  40  -7.507   6.335   3.614
  288    HG3  ARG  40           HG1      ARG  40  -7.741   4.869   2.662
  289    HD2  ARG  40           HD2      ARG  40  -8.919   3.910   4.694
  290    HD3  ARG  40           HD1      ARG  40  -8.901   5.545   5.352
  291    HE   ARG  40           HE       ARG  40 -10.072   5.166   2.708
  292   HH11  ARG  40          HH11      ARG  40 -10.565   5.667   6.137
  293   HH12  ARG  40          HH12      ARG  40 -12.223   6.145   5.955
  294   HH21  ARG  40          HH21      ARG  40 -12.253   5.788   2.467
  295   HH22  ARG  40          HH22      ARG  40 -13.179   6.230   3.871
  296    H    CYS  41           HN       CYS  41  -4.076   2.413   2.823
  297    HA   CYS  41           HA       CYS  41  -2.574   2.030   5.318
  298    HB2  CYS  41           HB2      CYS  41  -3.354   0.072   3.308
  299    HB3  CYS  41           HB1      CYS  41  -1.654   0.014   3.668
  300    H    TRP  42           HN       TRP  42  -0.434   2.838   5.240
  301    HA   TRP  42           HA       TRP  42   0.562   4.158   2.867
  302    HB2  TRP  42           HB2      TRP  42   1.920   3.646   5.518
  303    HB3  TRP  42           HB1      TRP  42   2.496   4.736   4.271
  304    HD1  TRP  42           HD1      TRP  42  -0.132   4.451   7.031
  305    HE1  TRP  42           HE1      TRP  42  -1.063   6.800   7.524
  306    HE3  TRP  42           HE3      TRP  42   2.088   7.020   3.215
  307    HZ2  TRP  42           HZ2      TRP  42  -0.892   9.398   6.421
  308    HZ3  TRP  42           HZ3      TRP  42   1.651   9.416   2.999
  309    HH2  TRP  42           HH2      TRP  42   0.195  10.591   4.571
  310    H    CYS  43           HN       CYS  43   1.372   2.749   1.197
  311    HA   CYS  43           HA       CYS  43   3.154   0.611   2.117
  312    HB2  CYS  43           HB2      CYS  43   1.449   0.294   0.156
  313    HB3  CYS  43           HB1      CYS  43   2.674   1.127  -0.800
  314    H    THR  44           HN       THR  44   5.216   0.923   2.326
  315    HA   THR  44           HA       THR  44   6.486   3.265   1.145
  316    HB   THR  44           HB       THR  44   7.721   1.365   3.136
  317    HG1  THR  44           HG1      THR  44   6.755   3.664   4.215
  318   HG21  THR  44          HG21      THR  44   9.331   2.825   2.194
  319   HG22  THR  44          HG22      THR  44   8.937   3.468   3.789
  320   HG23  THR  44          HG23      THR  44   8.259   4.217   2.341
  321    H    ASN  45           HN       ASN  45   7.996   3.157  -0.387
  322    HA   ASN  45           HA       ASN  45   9.700   0.878  -0.757
  323    HB2  ASN  45           HB2      ASN  45   7.623   0.191  -1.989
  324    HB3  ASN  45           HB1      ASN  45   7.821   1.599  -3.026
  325   HD21  ASN  45          HD21      ASN  45   9.257  -1.450  -2.044
  326   HD22  ASN  45          HD22      ASN  45  10.204  -1.678  -3.478
  327    H    ARG  46           HN       ARG  46  10.999   1.446  -3.019
  328    HA   ARG  46           HA       ARG  46  11.914   4.164  -2.495
  329    HB2  ARG  46           HB2      ARG  46  13.189   2.156  -4.356
  330    HB3  ARG  46           HB1      ARG  46  13.911   3.602  -3.679
  331    HG2  ARG  46           HG2      ARG  46  14.866   2.093  -2.308
  332    HG3  ARG  46           HG1      ARG  46  13.370   2.351  -1.409
  333    HD2  ARG  46           HD2      ARG  46  12.383   0.401  -2.471
  334    HD3  ARG  46           HD1      ARG  46  13.858   0.141  -3.397
  335    HE   ARG  46           HE       ARG  46  14.538   0.205  -0.693
  336   HH11  ARG  46          HH11      ARG  46  12.715  -1.800  -2.900
  337   HH12  ARG  46          HH12      ARG  46  13.013  -3.264  -2.025
  338   HH21  ARG  46          HH21      ARG  46  14.946  -1.718   0.463
  339   HH22  ARG  46          HH22      ARG  46  14.303  -3.219  -0.114
  340    H    CYS  47           HN       CYS  47  11.441   5.821  -3.818
  341    HA   CYS  47           HA       CYS  47  10.221   5.145  -6.397
  342    HB2  CYS  47           HB2      CYS  47   9.068   7.288  -6.311
  343    HB3  CYS  47           HB1      CYS  47   8.728   6.357  -4.862
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1  11.960   5.971   7.598
    2    H2   LYS   1           HT2      LYS   1  11.973   7.201   6.443
    3    H3   LYS   1           HT3      LYS   1  13.296   6.164   6.584
    4    HA   LYS   1           HA       LYS   1  11.950   4.296   5.881
    5    HB2  LYS   1           HB2      LYS   1   9.842   6.440   5.626
    6    HB3  LYS   1           HB1      LYS   1   9.728   4.893   4.810
    7    HG2  LYS   1           HG2      LYS   1   9.896   3.837   7.104
    8    HG3  LYS   1           HG1      LYS   1   9.623   5.461   7.749
    9    HD2  LYS   1           HD2      LYS   1   7.563   5.584   6.323
   10    HD3  LYS   1           HD1      LYS   1   7.810   3.885   5.924
   11    HE2  LYS   1           HE2      LYS   1   6.229   3.925   7.674
   12    HE3  LYS   1           HE1      LYS   1   7.753   3.417   8.401
   13    HZ1  LYS   1           HZ1      LYS   1   6.598   5.053   9.756
   14    HZ2  LYS   1           HZ2      LYS   1   6.641   6.167   8.487
   15    HZ3  LYS   1           HZ3      LYS   1   8.081   5.659   9.213
   16    H    THR   2           HN       THR   2  11.084   4.078   3.553
   17    HA   THR   2           HA       THR   2  12.409   5.988   1.764
   18    HB   THR   2           HB       THR   2  12.171   4.390  -0.016
   19    HG1  THR   2           HG1      THR   2  10.365   3.278   0.301
   20   HG21  THR   2          HG21      THR   2  13.208   3.029   2.472
   21   HG22  THR   2          HG22      THR   2  14.122   4.129   1.440
   22   HG23  THR   2          HG23      THR   2  13.583   2.574   0.809
   23    H    CYS   3           HN       CYS   3  10.931   5.932  -0.433
   24    HA   CYS   3           HA       CYS   3   8.977   7.830   0.081
   25    HB2  CYS   3           HB2      CYS   3   8.773   6.012  -2.297
   26    HB3  CYS   3           HB1      CYS   3   8.508   7.751  -2.200
   27    H    GLU   4           HN       GLU   4   7.115   7.600   1.145
   28    HA   GLU   4           HA       GLU   4   5.590   5.115   0.787
   29    HB2  GLU   4           HB2      GLU   4   6.694   4.915   2.930
   30    HB3  GLU   4           HB1      GLU   4   6.167   6.522   3.400
   31    HG2  GLU   4           HG2      GLU   4   3.805   5.701   3.245
   32    HG3  GLU   4           HG1      GLU   4   4.455   4.078   3.016
   33    H    ASN   5           HN       ASN   5   3.469   5.368   0.493
   34    HA   ASN   5           HA       ASN   5   2.263   7.881   1.377
   35    HB2  ASN   5           HB2      ASN   5   0.981   8.171  -0.618
   36    HB3  ASN   5           HB1      ASN   5   2.658   8.007  -1.094
   37   HD21  ASN   5          HD21      ASN   5  -0.471   6.493  -1.026
   38   HD22  ASN   5          HD22      ASN   5  -0.128   5.291  -2.230
   39    H    LEU   6           HN       LEU   6   0.064   7.757   1.790
   40    HA   LEU   6           HA       LEU   6  -0.856   5.128   2.590
   41    HB2  LEU   6           HB2      LEU   6  -1.175   7.601   3.673
   42    HB3  LEU   6           HB1      LEU   6  -2.667   7.459   2.765
   43    HG   LEU   6           HG       LEU   6  -1.702   5.599   4.981
   44   HD11  LEU   6          HD11      LEU   6  -2.598   7.733   5.758
   45   HD12  LEU   6          HD12      LEU   6  -3.720   6.421   6.118
   46   HD13  LEU   6          HD13      LEU   6  -4.044   7.513   4.772
   47   HD21  LEU   6          HD21      LEU   6  -3.887   4.513   4.687
   48   HD22  LEU   6          HD22      LEU   6  -2.803   4.285   3.318
   49   HD23  LEU   6          HD23      LEU   6  -4.140   5.445   3.208
   50    H    SER   7           HN       SER   7  -2.391   3.982   1.487
   51    HA   SER   7           HA       SER   7  -2.889   4.958  -1.213
   52    HB2  SER   7           HB2      SER   7  -3.470   2.475  -1.560
   53    HB3  SER   7           HB1      SER   7  -1.782   2.888  -1.264
   54    HG   SER   7           HG       SER   7  -2.020   2.221   0.865
   55    H    GLY   8           HN       GLY   8  -4.890   4.660  -2.244
   56    HA2  GLY   8           HA2      GLY   8  -7.149   3.843  -2.232
   57    HA3  GLY   8           HA1      GLY   8  -7.196   4.102  -0.495
   58    H    THR   9           HN       THR   9  -8.534   5.687  -0.023
   59    HA   THR   9           HA       THR   9  -9.238   7.816  -1.720
   60    HB   THR   9           HB       THR   9 -10.545   7.184   0.306
   61    HG1  THR   9           HG1      THR   9 -11.017   9.201  -0.458
   62   HG21  THR   9          HG21      THR   9  -9.814   8.040   2.506
   63   HG22  THR   9          HG22      THR   9  -8.262   8.490   1.793
   64   HG23  THR   9          HG23      THR   9  -8.739   6.793   1.874
   65    H    PHE  10           HN       PHE  10  -6.582   7.212   0.374
   66    HA   PHE  10           HA       PHE  10  -5.477   9.879   0.150
   67    HB2  PHE  10           HB2      PHE  10  -4.533   7.335   1.467
   68    HB3  PHE  10           HB1      PHE  10  -3.532   8.776   1.366
   69    HD1  PHE  10           HD1      PHE  10  -6.464   7.256   2.911
   70    HD2  PHE  10           HD2      PHE  10  -4.006  10.706   2.665
   71    HE1  PHE  10           HE1      PHE  10  -7.482   8.113   4.985
   72    HE2  PHE  10           HE2      PHE  10  -5.014  11.583   4.739
   73    HZ   PHE  10           HZ       PHE  10  -6.754  10.283   5.902
   74    H    LYS  11           HN       LYS  11  -4.235  10.462  -1.508
   75    HA   LYS  11           HA       LYS  11  -2.541  10.465  -3.003
   76    HB2  LYS  11           HB2      LYS  11  -1.575   8.424  -1.014
   77    HB3  LYS  11           HB1      LYS  11  -0.568   9.023  -2.316
   78    HG2  LYS  11           HG2      LYS  11   0.036  10.290  -0.460
   79    HG3  LYS  11           HG1      LYS  11  -1.013  11.348  -1.386
   80    HD2  LYS  11           HD2      LYS  11  -2.874  10.695   0.118
   81    HD3  LYS  11           HD1      LYS  11  -1.728   9.784   1.108
   82    HE2  LYS  11           HE2      LYS  11  -0.462  11.834   1.515
   83    HE3  LYS  11           HE1      LYS  11  -1.585  12.744   0.510
   84    HZ1  LYS  11           HZ1      LYS  11  -2.057  12.997   2.868
   85    HZ2  LYS  11           HZ2      LYS  11  -2.295  11.332   3.022
   86    HZ3  LYS  11           HZ3      LYS  11  -3.345  12.252   2.068
   87    H    GLY  12           HN       GLY  12  -4.726   8.512  -3.679
   88    HA2  GLY  12           HA2      GLY  12  -4.697   7.551  -5.920
   89    HA3  GLY  12           HA1      GLY  12  -3.096   6.933  -5.569
   90    HA   PRO  13           HA       PRO  13  -6.893   4.145  -4.068
   91    HB2  PRO  13           HB2      PRO  13  -7.195   3.225  -6.859
   92    HB3  PRO  13           HB1      PRO  13  -8.432   3.604  -5.657
   93    HG2  PRO  13           HG2      PRO  13  -7.970   5.235  -7.718
   94    HG3  PRO  13           HG1      PRO  13  -8.357   5.875  -6.110
   95    HD2  PRO  13           HD2      PRO  13  -5.704   5.677  -7.481
   96    HD3  PRO  13           HD1      PRO  13  -6.372   6.993  -6.492
   97    H    CYS  14           HN       CYS  14  -7.015   1.725  -4.247
   98    HA   CYS  14           HA       CYS  14  -4.829   0.380  -5.536
   99    HB2  CYS  14           HB2      CYS  14  -3.672   1.117  -3.537
  100    HB3  CYS  14           HB1      CYS  14  -4.946   0.458  -2.518
  101    H    ILE  15           HN       ILE  15  -6.492  -0.754  -2.594
  102    HA   ILE  15           HA       ILE  15  -8.122  -2.583  -4.188
  103    HB   ILE  15           HB       ILE  15  -7.320  -4.536  -2.852
  104   HG12  ILE  15          HG12      ILE  15  -5.011  -2.698  -2.197
  105   HG13  ILE  15          HG11      ILE  15  -6.268  -3.146  -1.055
  106   HG21  ILE  15          HG21      ILE  15  -5.267  -3.223  -4.630
  107   HG22  ILE  15          HG22      ILE  15  -6.621  -4.217  -5.167
  108   HG23  ILE  15          HG23      ILE  15  -5.326  -4.934  -4.210
  109   HD11  ILE  15          HD11      ILE  15  -4.253  -4.957  -2.345
  110   HD12  ILE  15          HD12      ILE  15  -5.603  -5.512  -1.362
  111   HD13  ILE  15          HD13      ILE  15  -4.355  -4.494  -0.646
  112    HA   PRO  16           HA       PRO  16 -10.644  -1.842  -0.619
  113    HB2  PRO  16           HB2      PRO  16 -12.890  -3.011  -1.519
  114    HB3  PRO  16           HB1      PRO  16 -12.263  -1.514  -2.216
  115    HG2  PRO  16           HG2      PRO  16 -12.284  -4.242  -3.334
  116    HG3  PRO  16           HG1      PRO  16 -12.182  -2.685  -4.168
  117    HD2  PRO  16           HD2      PRO  16 -10.048  -4.497  -3.515
  118    HD3  PRO  16           HD1      PRO  16  -9.945  -2.947  -4.366
  119    H    ASP  17           HN       ASP  17  -9.086  -4.600  -1.002
  120    HA   ASP  17           HA       ASP  17 -10.871  -6.475   0.259
  121    HB2  ASP  17           HB2      ASP  17  -7.905  -6.754  -0.230
  122    HB3  ASP  17           HB1      ASP  17  -9.040  -8.051   0.121
  123    H    GLY  18           HN       GLY  18  -8.460  -4.235   1.343
  124    HA2  GLY  18           HA2      GLY  18  -8.119  -3.456   3.477
  125    HA3  GLY  18           HA1      GLY  18  -9.371  -4.543   4.034
  126    H    ASN  19           HN       ASN  19  -6.564  -5.651   2.330
  127    HA   ASN  19           HA       ASN  19  -5.583  -7.039   4.718
  128    HB2  ASN  19           HB2      ASN  19  -4.260  -8.312   3.034
  129    HB3  ASN  19           HB1      ASN  19  -6.000  -8.418   2.764
  130   HD21  ASN  19          HD21      ASN  19  -6.921  -7.030   1.175
  131   HD22  ASN  19          HD22      ASN  19  -5.986  -6.483  -0.167
  132    H    CYS  20           HN       CYS  20  -4.751  -4.869   2.163
  133    HA   CYS  20           HA       CYS  20  -3.022  -3.758   1.473
  134    HB2  CYS  20           HB2      CYS  20  -2.161  -2.087   2.908
  135    HB3  CYS  20           HB1      CYS  20  -3.851  -2.325   3.225
  136    H    ASN  21           HN       ASN  21  -1.539  -4.884   4.521
  137    HA   ASN  21           HA       ASN  21   1.039  -4.755   3.646
  138    HB2  ASN  21           HB2      ASN  21  -0.231  -6.628   5.611
  139    HB3  ASN  21           HB1      ASN  21   1.496  -6.667   5.300
  140   HD21  ASN  21          HD21      ASN  21   1.542  -3.746   4.862
  141   HD22  ASN  21          HD22      ASN  21   1.435  -3.066   6.444
  142    H    LYS  22           HN       LYS  22  -0.872  -7.781   3.583
  143    HA   LYS  22           HA       LYS  22   1.184  -9.222   2.350
  144    HB2  LYS  22           HB2      LYS  22  -0.433 -10.982   1.979
  145    HB3  LYS  22           HB1      LYS  22  -0.603 -10.310   3.591
  146    HG2  LYS  22           HG2      LYS  22  -2.536  -8.976   2.769
  147    HG3  LYS  22           HG1      LYS  22  -2.387  -9.818   1.222
  148    HD2  LYS  22           HD2      LYS  22  -2.689 -11.964   2.362
  149    HD3  LYS  22           HD1      LYS  22  -2.852 -11.121   3.900
  150    HE2  LYS  22           HE2      LYS  22  -4.880 -10.066   3.182
  151    HE3  LYS  22           HE1      LYS  22  -4.672 -10.692   1.540
  152    HZ1  LYS  22           HZ1      LYS  22  -5.144 -12.328   3.974
  153    HZ2  LYS  22           HZ2      LYS  22  -4.924 -12.939   2.413
  154    HZ3  LYS  22           HZ3      LYS  22  -6.280 -11.993   2.767
  155    H    HIS  23           HN       HIS  23  -1.282  -7.176   0.903
  156    HA   HIS  23           HA       HIS  23  -1.070  -8.275  -1.705
  157    HB2  HIS  23           HB2      HIS  23  -2.899  -6.706  -0.951
  158    HB3  HIS  23           HB1      HIS  23  -1.729  -5.395  -1.088
  159    HD1  HIS  23           HD1      HIS  23  -1.227  -4.508  -3.433
  160    HD2  HIS  23           HD2      HIS  23  -3.640  -7.891  -3.438
  161    HE1  HIS  23           HE1      HIS  23  -2.049  -4.751  -5.794
  162    HE2  HIS  23           HE2      HIS  23  -3.402  -6.877  -5.802
  163    H    CYS  24           HN       CYS  24   0.348  -5.265  -0.389
  164    HA   CYS  24           HA       CYS  24   2.075  -4.780  -2.540
  165    HB2  CYS  24           HB2      CYS  24   2.075  -4.002   0.332
  166    HB3  CYS  24           HB1      CYS  24   3.570  -3.813  -0.562
  167    H    ARG  25           HN       ARG  25   2.543  -6.683   0.425
  168    HA   ARG  25           HA       ARG  25   5.366  -6.892  -0.031
  169    HB2  ARG  25           HB2      ARG  25   3.668  -8.328   2.004
  170    HB3  ARG  25           HB1      ARG  25   5.417  -8.138   2.037
  171    HG2  ARG  25           HG2      ARG  25   3.469  -5.860   2.129
  172    HG3  ARG  25           HG1      ARG  25   4.215  -6.596   3.547
  173    HD2  ARG  25           HD2      ARG  25   6.143  -5.891   1.496
  174    HD3  ARG  25           HD1      ARG  25   5.235  -4.483   2.074
  175    HE   ARG  25           HE       ARG  25   6.090  -4.857   4.246
  176   HH11  ARG  25          HH11      ARG  25   7.393  -7.152   1.936
  177   HH12  ARG  25          HH12      ARG  25   8.707  -7.617   2.962
  178   HH21  ARG  25          HH21      ARG  25   7.811  -5.483   5.585
  179   HH22  ARG  25          HH22      ARG  25   8.940  -6.679   5.035
  180    H    ASN  26           HN       ASN  26   2.628  -9.112  -0.411
  181    HA   ASN  26           HA       ASN  26   4.402 -11.336  -0.962
  182    HB2  ASN  26           HB2      ASN  26   1.400 -11.051  -1.085
  183    HB3  ASN  26           HB1      ASN  26   2.233 -12.506  -1.605
  184   HD21  ASN  26          HD21      ASN  26   3.427 -10.656   1.056
  185   HD22  ASN  26          HD22      ASN  26   2.971 -11.763   2.303
  186    H    ASN  27           HN       ASN  27   2.432  -9.069  -2.764
  187    HA   ASN  27           HA       ASN  27   2.867 -10.491  -5.239
  188    HB2  ASN  27           HB2      ASN  27   1.442  -7.883  -4.693
  189    HB3  ASN  27           HB1      ASN  27   1.494  -8.694  -6.253
  190   HD21  ASN  27          HD21      ASN  27   0.180  -8.713  -3.049
  191   HD22  ASN  27          HD22      ASN  27  -1.029  -9.924  -3.332
  192    H    GLU  28           HN       GLU  28   3.742  -7.302  -3.898
  193    HA   GLU  28           HA       GLU  28   5.544  -6.946  -6.198
  194    HB2  GLU  28           HB2      GLU  28   3.622  -5.297  -5.542
  195    HB3  GLU  28           HB1      GLU  28   4.766  -4.737  -4.333
  196    HG2  GLU  28           HG2      GLU  28   4.904  -3.336  -6.262
  197    HG3  GLU  28           HG1      GLU  28   6.390  -4.279  -6.132
  198    H    HIS  29           HN       HIS  29   5.393  -7.199  -2.758
  199    HA   HIS  29           HA       HIS  29   6.946  -7.620  -1.202
  200    HB2  HIS  29           HB2      HIS  29   8.041  -8.912  -3.160
  201    HB3  HIS  29           HB1      HIS  29   9.141  -7.542  -3.264
  202    HD1  HIS  29           HD1      HIS  29  10.449  -7.013  -0.907
  203    HD2  HIS  29           HD2      HIS  29   8.797 -10.800  -1.366
  204    HE1  HIS  29           HE1      HIS  29  11.567  -8.452   0.821
  205    HE2  HIS  29           HE2      HIS  29  10.700 -10.777   0.388
  206    H    LEU  30           HN       LEU  30   6.109  -5.018  -1.600
  207    HA   LEU  30           HA       LEU  30   8.376  -3.275  -1.708
  208    HB2  LEU  30           HB2      LEU  30   5.676  -2.562  -0.600
  209    HB3  LEU  30           HB1      LEU  30   6.915  -1.474  -1.178
  210    HG   LEU  30           HG       LEU  30   5.100  -3.251  -2.789
  211   HD11  LEU  30          HD11      LEU  30   5.691  -0.302  -2.899
  212   HD12  LEU  30          HD12      LEU  30   4.281  -1.026  -2.132
  213   HD13  LEU  30          HD13      LEU  30   4.510  -1.166  -3.880
  214   HD21  LEU  30          HD21      LEU  30   7.550  -1.788  -3.763
  215   HD22  LEU  30          HD22      LEU  30   6.349  -2.581  -4.780
  216   HD23  LEU  30          HD23      LEU  30   7.346  -3.537  -3.686
  217    H    LEU  31           HN       LEU  31   7.932  -1.496   0.442
  218    HA   LEU  31           HA       LEU  31   9.432  -3.122   2.341
  219    HB2  LEU  31           HB2      LEU  31   9.080  -0.143   2.401
  220    HB3  LEU  31           HB1      LEU  31  10.340  -1.099   3.167
  221    HG   LEU  31           HG       LEU  31   9.957  -0.603   0.226
  222   HD11  LEU  31          HD11      LEU  31  11.034   1.206   1.431
  223   HD12  LEU  31          HD12      LEU  31  12.186   0.380   0.381
  224   HD13  LEU  31          HD13      LEU  31  12.198   0.073   2.117
  225   HD21  LEU  31          HD21      LEU  31  11.992  -1.976  -0.078
  226   HD22  LEU  31          HD22      LEU  31  10.587  -2.892   0.469
  227   HD23  LEU  31          HD23      LEU  31  11.866  -2.471   1.611
  228    H    SER  32           HN       SER  32   6.770  -0.721   2.579
  229    HA   SER  32           HA       SER  32   6.214  -1.833   5.260
  230    HB2  SER  32           HB2      SER  32   5.458   0.672   3.842
  231    HB3  SER  32           HB1      SER  32   4.436   0.087   5.138
  232    HG   SER  32           HG       SER  32   6.501   1.562   5.428
  233    H    GLY  33           HN       GLY  33   4.796  -1.413   2.148
  234    HA2  GLY  33           HA2      GLY  33   3.486  -2.872   1.009
  235    HA3  GLY  33           HA1      GLY  33   3.541  -3.950   2.378
  236    H    ARG  34           HN       ARG  34   2.333  -0.830   3.163
  237    HA   ARG  34           HA       ARG  34  -0.231  -2.024   3.704
  238    HB2  ARG  34           HB2      ARG  34   1.307   0.369   4.337
  239    HB3  ARG  34           HB1      ARG  34  -0.405   0.699   4.228
  240    HG2  ARG  34           HG2      ARG  34  -0.782  -1.022   5.969
  241    HG3  ARG  34           HG1      ARG  34   0.969  -1.264   6.067
  242    HD2  ARG  34           HD2      ARG  34  -0.466   1.358   6.529
  243    HD3  ARG  34           HD1      ARG  34   0.148   0.316   7.799
  244    HE   ARG  34           HE       ARG  34   1.885   1.593   5.782
  245   HH11  ARG  34          HH11      ARG  34   1.306   0.532   9.069
  246   HH12  ARG  34          HH12      ARG  34   2.755   1.257   9.687
  247   HH21  ARG  34          HH21      ARG  34   3.789   2.577   6.595
  248   HH22  ARG  34          HH22      ARG  34   4.164   2.405   8.286
  249    H    CYS  35           HN       CYS  35  -0.726  -2.427   1.247
  250    HA   CYS  35           HA       CYS  35  -1.752   0.002  -0.053
  251    HB2  CYS  35           HB2      CYS  35  -0.300  -1.883  -1.166
  252    HB3  CYS  35           HB1      CYS  35  -1.865  -2.659  -1.379
  253    H    ARG  36           HN       ARG  36  -3.913   0.572   0.346
  254    HA   ARG  36           HA       ARG  36  -5.881  -1.463  -0.358
  255    HB2  ARG  36           HB2      ARG  36  -6.488   0.396   1.924
  256    HB3  ARG  36           HB1      ARG  36  -7.365  -1.038   1.416
  257    HG2  ARG  36           HG2      ARG  36  -5.466  -2.411   2.142
  258    HG3  ARG  36           HG1      ARG  36  -4.694  -0.936   2.701
  259    HD2  ARG  36           HD2      ARG  36  -6.436  -0.559   4.305
  260    HD3  ARG  36           HD1      ARG  36  -7.334  -1.930   3.673
  261    HE   ARG  36           HE       ARG  36  -4.900  -2.929   4.490
  262   HH11  ARG  36          HH11      ARG  36  -7.584  -1.257   5.998
  263   HH12  ARG  36          HH12      ARG  36  -7.347  -2.014   7.539
  264   HH21  ARG  36          HH21      ARG  36  -4.595  -3.932   6.528
  265   HH22  ARG  36          HH22      ARG  36  -5.667  -3.537   7.833
  266    H    ASP  37           HN       ASP  37  -8.112  -0.361  -0.618
  267    HA   ASP  37           HA       ASP  37  -7.737   2.246  -1.925
  268    HB2  ASP  37           HB2      ASP  37  -8.345   0.646  -3.582
  269    HB3  ASP  37           HB1      ASP  37  -9.639   0.004  -2.576
  270    H    ASP  38           HN       ASP  38 -10.709   0.571  -0.975
  271    HA   ASP  38           HA       ASP  38 -12.003   2.820   0.082
  272    HB2  ASP  38           HB2      ASP  38 -13.220   0.787  -0.526
  273    HB3  ASP  38           HB1      ASP  38 -12.376  -0.121   0.726
  274    H    PHE  39           HN       PHE  39 -10.008   0.378   1.472
  275    HA   PHE  39           HA       PHE  39 -10.037   1.496   4.139
  276    HB2  PHE  39           HB2      PHE  39  -8.686  -0.845   2.821
  277    HB3  PHE  39           HB1      PHE  39  -8.418  -0.432   4.503
  278    HD1  PHE  39           HD1      PHE  39 -10.126  -2.536   2.396
  279    HD2  PHE  39           HD2      PHE  39 -10.816  -0.029   5.776
  280    HE1  PHE  39           HE1      PHE  39 -12.140  -3.839   2.959
  281    HE2  PHE  39           HE2      PHE  39 -12.817  -1.338   6.345
  282    HZ   PHE  39           HZ       PHE  39 -13.482  -3.242   4.936
  283    H    ARG  40           HN       ARG  40  -7.816   1.884   5.192
  284    HA   ARG  40           HA       ARG  40  -6.095   3.240   3.216
  285    HB2  ARG  40           HB2      ARG  40  -5.664   4.925   5.055
  286    HB3  ARG  40           HB1      ARG  40  -7.288   4.939   4.387
  287    HG2  ARG  40           HG2      ARG  40  -8.093   3.652   6.300
  288    HG3  ARG  40           HG1      ARG  40  -6.461   3.624   6.970
  289    HD2  ARG  40           HD2      ARG  40  -8.003   6.144   6.388
  290    HD3  ARG  40           HD1      ARG  40  -7.981   5.349   7.960
  291    HE   ARG  40           HE       ARG  40  -5.338   5.731   7.301
  292   HH11  ARG  40          HH11      ARG  40  -8.154   7.765   7.714
  293   HH12  ARG  40          HH12      ARG  40  -7.247   9.137   8.266
  294   HH21  ARG  40          HH21      ARG  40  -4.129   7.541   8.024
  295   HH22  ARG  40          HH22      ARG  40  -4.952   9.012   8.430
  296    H    CYS  41           HN       CYS  41  -4.189   2.316   3.104
  297    HA   CYS  41           HA       CYS  41  -2.718   1.799   5.581
  298    HB2  CYS  41           HB2      CYS  41  -3.471  -0.104   3.511
  299    HB3  CYS  41           HB1      CYS  41  -1.772  -0.159   3.857
  300    H    TRP  42           HN       TRP  42  -0.476   2.454   5.493
  301    HA   TRP  42           HA       TRP  42   0.431   4.011   3.203
  302    HB2  TRP  42           HB2      TRP  42   1.780   3.366   5.832
  303    HB3  TRP  42           HB1      TRP  42   2.419   4.464   4.624
  304    HD1  TRP  42           HD1      TRP  42  -0.341   4.205   7.269
  305    HE1  TRP  42           HE1      TRP  42  -1.174   6.585   7.796
  306    HE3  TRP  42           HE3      TRP  42   2.238   6.776   3.688
  307    HZ2  TRP  42           HZ2      TRP  42  -0.784   9.199   6.805
  308    HZ3  TRP  42           HZ3      TRP  42   1.958   9.200   3.545
  309    HH2  TRP  42           HH2      TRP  42   0.471  10.395   5.058
  310    H    CYS  43           HN       CYS  43   1.246   2.734   1.436
  311    HA   CYS  43           HA       CYS  43   3.055   0.546   2.194
  312    HB2  CYS  43           HB2      CYS  43   1.282   0.142   0.424
  313    HB3  CYS  43           HB1      CYS  43   2.218   1.188  -0.646
  314    H    THR  44           HN       THR  44   5.146   0.770   2.205
  315    HA   THR  44           HA       THR  44   6.355   3.220   1.167
  316    HB   THR  44           HB       THR  44   7.653   1.163   2.956
  317    HG1  THR  44           HG1      THR  44   6.001   3.368   3.608
  318   HG21  THR  44          HG21      THR  44   8.999   3.189   3.629
  319   HG22  THR  44          HG22      THR  44   8.279   4.021   2.251
  320   HG23  THR  44          HG23      THR  44   9.273   2.592   1.994
  321    H    ASN  45           HN       ASN  45   7.919   3.217  -0.335
  322    HA   ASN  45           HA       ASN  45   9.274   0.803  -1.168
  323    HB2  ASN  45           HB2      ASN  45   7.177   0.679  -2.416
  324    HB3  ASN  45           HB1      ASN  45   7.424   2.302  -3.040
  325   HD21  ASN  45          HD21      ASN  45   8.831  -0.929  -2.958
  326   HD22  ASN  45          HD22      ASN  45   9.512  -0.858  -4.551
  327    H    ARG  46           HN       ARG  46  10.752   1.448  -3.136
  328    HA   ARG  46           HA       ARG  46  12.094   3.912  -2.301
  329    HB2  ARG  46           HB2      ARG  46  13.109   1.702  -4.097
  330    HB3  ARG  46           HB1      ARG  46  14.056   2.993  -3.371
  331    HG2  ARG  46           HG2      ARG  46  14.273   1.909  -1.434
  332    HG3  ARG  46           HG1      ARG  46  12.593   1.368  -1.436
  333    HD2  ARG  46           HD2      ARG  46  13.121  -0.402  -2.984
  334    HD3  ARG  46           HD1      ARG  46  14.783   0.173  -3.126
  335    HE   ARG  46           HE       ARG  46  14.625  -0.310  -0.511
  336   HH11  ARG  46          HH11      ARG  46  13.597  -2.234  -3.255
  337   HH12  ARG  46          HH12      ARG  46  13.869  -3.750  -2.458
  338   HH21  ARG  46          HH21      ARG  46  14.993  -2.316   0.540
  339   HH22  ARG  46          HH22      ARG  46  14.668  -3.797  -0.305
  340    H    CYS  47           HN       CYS  47  12.137   5.678  -3.601
  341    HA   CYS  47           HA       CYS  47  11.388   5.279  -6.412
  342    HB2  CYS  47           HB2      CYS  47  10.221   7.425  -6.401
  343    HB3  CYS  47           HB1      CYS  47   9.537   6.341  -5.201
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1  12.155   8.118   6.123
    2    H2   LYS   1           HT2      LYS   1  13.669   7.388   6.279
    3    H3   LYS   1           HT3      LYS   1  12.520   7.215   7.508
    4    HA   LYS   1           HA       LYS   1  12.695   5.211   6.173
    5    HB2  LYS   1           HB2      LYS   1  10.307   4.952   5.693
    6    HB3  LYS   1           HB1      LYS   1  10.549   5.777   7.226
    7    HG2  LYS   1           HG2      LYS   1  10.124   7.920   6.126
    8    HG3  LYS   1           HG1      LYS   1   9.851   7.075   4.605
    9    HD2  LYS   1           HD2      LYS   1   7.718   7.558   5.576
   10    HD3  LYS   1           HD1      LYS   1   7.999   5.823   5.721
   11    HE2  LYS   1           HE2      LYS   1   7.050   6.765   7.774
   12    HE3  LYS   1           HE1      LYS   1   8.662   6.106   8.045
   13    HZ1  LYS   1           HZ1      LYS   1   8.295   8.277   9.112
   14    HZ2  LYS   1           HZ2      LYS   1   8.085   8.981   7.590
   15    HZ3  LYS   1           HZ3      LYS   1   9.576   8.304   8.011
   16    H    THR   2           HN       THR   2  11.057   4.624   4.050
   17    HA   THR   2           HA       THR   2  12.441   5.915   1.812
   18    HB   THR   2           HB       THR   2  11.261   3.865   0.663
   19    HG1  THR   2           HG1      THR   2  11.873   2.386   2.838
   20   HG21  THR   2          HG21      THR   2  13.652   4.285   0.681
   21   HG22  THR   2          HG22      THR   2  13.337   2.592   1.062
   22   HG23  THR   2          HG23      THR   2  13.752   3.726   2.351
   23    H    CYS   3           HN       CYS   3  10.842   5.798  -0.265
   24    HA   CYS   3           HA       CYS   3   9.022   7.873   0.320
   25    HB2  CYS   3           HB2      CYS   3   8.289   7.737  -1.979
   26    HB3  CYS   3           HB1      CYS   3  10.034   7.551  -1.920
   27    H    GLU   4           HN       GLU   4   7.218   7.719   1.381
   28    HA   GLU   4           HA       GLU   4   5.761   5.173   1.328
   29    HB2  GLU   4           HB2      GLU   4   6.894   5.524   3.472
   30    HB3  GLU   4           HB1      GLU   4   6.113   7.094   3.629
   31    HG2  GLU   4           HG2      GLU   4   3.908   5.893   3.563
   32    HG3  GLU   4           HG1      GLU   4   4.812   4.381   3.695
   33    H    ASN   5           HN       ASN   5   3.666   5.256   0.881
   34    HA   ASN   5           HA       ASN   5   2.316   7.818   1.158
   35    HB2  ASN   5           HB2      ASN   5   1.340   7.697  -1.043
   36    HB3  ASN   5           HB1      ASN   5   3.086   7.680  -1.155
   37   HD21  ASN   5          HD21      ASN   5   0.203   5.762  -1.382
   38   HD22  ASN   5          HD22      ASN   5   0.881   4.491  -2.346
   39    H    LEU   6           HN       LEU   6   0.151   7.714   1.437
   40    HA   LEU   6           HA       LEU   6  -0.726   5.169   2.523
   41    HB2  LEU   6           HB2      LEU   6  -0.974   7.683   3.487
   42    HB3  LEU   6           HB1      LEU   6  -2.513   7.508   2.665
   43    HG   LEU   6           HG       LEU   6  -1.431   5.768   4.908
   44   HD11  LEU   6          HD11      LEU   6  -2.409   7.962   5.537
   45   HD12  LEU   6          HD12      LEU   6  -3.342   6.591   6.133
   46   HD13  LEU   6          HD13      LEU   6  -3.908   7.497   4.732
   47   HD21  LEU   6          HD21      LEU   6  -2.510   4.213   3.643
   48   HD22  LEU   6          HD22      LEU   6  -3.693   5.375   3.015
   49   HD23  LEU   6          HD23      LEU   6  -3.815   4.806   4.681
   50    H    SER   7           HN       SER   7  -1.793   3.846   1.306
   51    HA   SER   7           HA       SER   7  -2.917   4.772  -1.201
   52    HB2  SER   7           HB2      SER   7  -2.677   1.946  -0.164
   53    HB3  SER   7           HB1      SER   7  -2.861   2.471  -1.836
   54    HG   SER   7           HG       SER   7  -0.700   3.588  -0.594
   55    H    GLY   8           HN       GLY   8  -5.027   4.989  -1.550
   56    HA2  GLY   8           HA2      GLY   8  -7.093   3.423  -0.572
   57    HA3  GLY   8           HA1      GLY   8  -6.894   4.740   0.578
   58    H    THR   9           HN       THR   9  -6.730   6.934  -0.472
   59    HA   THR   9           HA       THR   9  -8.424   7.145  -2.844
   60    HB   THR   9           HB       THR   9 -10.021   7.491  -1.115
   61    HG1  THR   9           HG1      THR   9  -9.914   9.118  -2.841
   62   HG21  THR   9          HG21      THR   9  -9.714   9.109   0.711
   63   HG22  THR   9          HG22      THR   9  -8.064   9.407   0.159
   64   HG23  THR   9          HG23      THR   9  -8.515   7.815   0.768
   65    H    PHE  10           HN       PHE  10  -6.458   8.934  -0.490
   66    HA   PHE  10           HA       PHE  10  -5.371  10.562  -2.625
   67    HB2  PHE  10           HB2      PHE  10  -3.863  11.364  -0.624
   68    HB3  PHE  10           HB1      PHE  10  -5.521  11.919  -0.769
   69    HD1  PHE  10           HD1      PHE  10  -7.191  11.262   0.792
   70    HD2  PHE  10           HD2      PHE  10  -3.231   9.752   1.121
   71    HE1  PHE  10           HE1      PHE  10  -7.676  10.492   3.078
   72    HE2  PHE  10           HE2      PHE  10  -3.708   8.980   3.401
   73    HZ   PHE  10           HZ       PHE  10  -5.932   9.347   4.384
   74    H    LYS  11           HN       LYS  11  -3.150  10.518  -3.196
   75    HA   LYS  11           HA       LYS  11  -1.194   9.560  -3.768
   76    HB2  LYS  11           HB2      LYS  11  -1.545   8.019  -1.201
   77    HB3  LYS  11           HB1      LYS  11  -0.110   7.939  -2.209
   78    HG2  LYS  11           HG2      LYS  11   0.611   9.520  -0.773
   79    HG3  LYS  11           HG1      LYS  11  -0.254  10.592  -1.868
   80    HD2  LYS  11           HD2      LYS  11  -2.214  10.426  -0.411
   81    HD3  LYS  11           HD1      LYS  11  -1.301   9.412   0.708
   82    HE2  LYS  11           HE2      LYS  11  -1.365  11.729   1.469
   83    HE3  LYS  11           HE1      LYS  11   0.278  11.245   1.061
   84    HZ1  LYS  11           HZ1      LYS  11   0.045  12.382  -1.061
   85    HZ2  LYS  11           HZ2      LYS  11  -0.224  13.448   0.221
   86    HZ3  LYS  11           HZ3      LYS  11  -1.532  12.847  -0.666
   87    H    GLY  12           HN       GLY  12  -3.910   8.201  -4.299
   88    HA2  GLY  12           HA2      GLY  12  -4.297   6.614  -5.994
   89    HA3  GLY  12           HA1      GLY  12  -2.701   5.950  -5.704
   90    HA   PRO  13           HA       PRO  13  -5.888   3.482  -3.223
   91    HB2  PRO  13           HB2      PRO  13  -7.726   2.472  -4.848
   92    HB3  PRO  13           HB1      PRO  13  -7.859   4.135  -4.269
   93    HG2  PRO  13           HG2      PRO  13  -6.997   3.117  -6.934
   94    HG3  PRO  13           HG1      PRO  13  -7.932   4.569  -6.537
   95    HD2  PRO  13           HD2      PRO  13  -5.170   4.445  -7.067
   96    HD3  PRO  13           HD1      PRO  13  -6.051   5.820  -6.376
   97    H    CYS  14           HN       CYS  14  -6.291   1.118  -3.225
   98    HA   CYS  14           HA       CYS  14  -4.761  -0.381  -5.235
   99    HB2  CYS  14           HB2      CYS  14  -4.656  -0.953  -2.264
  100    HB3  CYS  14           HB1      CYS  14  -3.797  -1.828  -3.521
  101    H    ILE  15           HN       ILE  15  -6.437  -1.426  -2.268
  102    HA   ILE  15           HA       ILE  15  -8.393  -2.900  -3.873
  103    HB   ILE  15           HB       ILE  15  -7.921  -4.992  -2.729
  104   HG12  ILE  15          HG12      ILE  15  -5.795  -3.345  -1.351
  105   HG13  ILE  15          HG11      ILE  15  -7.073  -4.320  -0.635
  106   HG21  ILE  15          HG21      ILE  15  -5.775  -5.543  -3.788
  107   HG22  ILE  15          HG22      ILE  15  -5.474  -3.823  -4.045
  108   HG23  ILE  15          HG23      ILE  15  -6.826  -4.612  -4.856
  109   HD11  ILE  15          HD11      ILE  15  -4.676  -5.373  -2.099
  110   HD12  ILE  15          HD12      ILE  15  -5.973  -6.349  -1.409
  111   HD13  ILE  15          HD13      ILE  15  -4.936  -5.387  -0.355
  112    HA   PRO  16           HA       PRO  16 -10.796  -1.935  -0.244
  113    HB2  PRO  16           HB2      PRO  16 -13.129  -2.969  -1.012
  114    HB3  PRO  16           HB1      PRO  16 -12.421  -1.592  -1.865
  115    HG2  PRO  16           HG2      PRO  16 -12.553  -4.452  -2.668
  116    HG3  PRO  16           HG1      PRO  16 -12.611  -2.997  -3.676
  117    HD2  PRO  16           HD2      PRO  16 -10.357  -4.631  -3.188
  118    HD3  PRO  16           HD1      PRO  16 -10.366  -3.048  -3.982
  119    H    ASP  17           HN       ASP  17  -9.150  -4.457  -0.194
  120    HA   ASP  17           HA       ASP  17 -10.989  -6.355   1.051
  121    HB2  ASP  17           HB2      ASP  17  -8.058  -6.718   0.421
  122    HB3  ASP  17           HB1      ASP  17  -9.194  -7.973   0.898
  123    H    GLY  18           HN       GLY  18  -8.443  -4.138   1.924
  124    HA2  GLY  18           HA2      GLY  18  -8.288  -3.205   4.066
  125    HA3  GLY  18           HA1      GLY  18  -9.230  -4.535   4.696
  126    H    ASN  19           HN       ASN  19  -7.027  -6.152   3.040
  127    HA   ASN  19           HA       ASN  19  -5.461  -6.895   5.262
  128    HB2  ASN  19           HB2      ASN  19  -4.151  -8.162   3.595
  129    HB3  ASN  19           HB1      ASN  19  -5.887  -8.391   3.379
  130   HD21  ASN  19          HD21      ASN  19  -6.932  -7.220   1.702
  131   HD22  ASN  19          HD22      ASN  19  -6.057  -6.673   0.320
  132    H    CYS  20           HN       CYS  20  -4.928  -4.806   2.533
  133    HA   CYS  20           HA       CYS  20  -3.336  -3.569   1.737
  134    HB2  CYS  20           HB2      CYS  20  -2.376  -1.898   3.094
  135    HB3  CYS  20           HB1      CYS  20  -4.016  -2.161   3.627
  136    H    ASN  21           HN       ASN  21  -1.692  -4.907   4.598
  137    HA   ASN  21           HA       ASN  21   0.863  -4.686   3.587
  138    HB2  ASN  21           HB2      ASN  21  -0.261  -6.658   5.556
  139    HB3  ASN  21           HB1      ASN  21   1.455  -6.532   5.212
  140   HD21  ASN  21          HD21      ASN  21   1.403  -3.679   4.874
  141   HD22  ASN  21          HD22      ASN  21   1.194  -3.017   6.455
  142    H    LYS  22           HN       LYS  22  -0.966  -7.766   3.710
  143    HA   LYS  22           HA       LYS  22   0.985  -9.185   2.348
  144    HB2  LYS  22           HB2      LYS  22  -0.999 -10.758   1.729
  145    HB3  LYS  22           HB1      LYS  22  -0.446 -10.614   3.387
  146    HG2  LYS  22           HG2      LYS  22  -2.291  -9.190   3.935
  147    HG3  LYS  22           HG1      LYS  22  -2.807  -9.128   2.245
  148    HD2  LYS  22           HD2      LYS  22  -3.569 -11.310   2.275
  149    HD3  LYS  22           HD1      LYS  22  -2.510 -11.774   3.604
  150    HE2  LYS  22           HE2      LYS  22  -4.840  -9.896   3.933
  151    HE3  LYS  22           HE1      LYS  22  -4.969 -11.639   4.148
  152    HZ1  LYS  22           HZ1      LYS  22  -4.619 -10.453   6.241
  153    HZ2  LYS  22           HZ2      LYS  22  -3.138  -9.870   5.674
  154    HZ3  LYS  22           HZ3      LYS  22  -3.357 -11.530   5.913
  155    H    HIS  23           HN       HIS  23  -1.499  -7.112   0.984
  156    HA   HIS  23           HA       HIS  23  -1.312  -8.157  -1.640
  157    HB2  HIS  23           HB2      HIS  23  -3.116  -6.611  -0.948
  158    HB3  HIS  23           HB1      HIS  23  -1.937  -5.308  -0.839
  159    HD1  HIS  23           HD1      HIS  23  -3.548  -7.588  -3.397
  160    HD2  HIS  23           HD2      HIS  23  -1.391  -4.036  -3.216
  161    HE1  HIS  23           HE1      HIS  23  -3.620  -6.625  -5.720
  162    HE2  HIS  23           HE2      HIS  23  -2.261  -4.509  -5.603
  163    H    CYS  24           HN       CYS  24   0.122  -5.085  -0.437
  164    HA   CYS  24           HA       CYS  24   1.789  -4.632  -2.632
  165    HB2  CYS  24           HB2      CYS  24   1.834  -3.806   0.208
  166    HB3  CYS  24           HB1      CYS  24   3.363  -3.723  -0.641
  167    H    ARG  25           HN       ARG  25   2.216  -6.723   0.128
  168    HA   ARG  25           HA       ARG  25   5.059  -6.901  -0.260
  169    HB2  ARG  25           HB2      ARG  25   3.276  -8.370   1.668
  170    HB3  ARG  25           HB1      ARG  25   5.024  -8.261   1.734
  171    HG2  ARG  25           HG2      ARG  25   3.215  -5.880   1.853
  172    HG3  ARG  25           HG1      ARG  25   3.810  -6.723   3.286
  173    HD2  ARG  25           HD2      ARG  25   5.857  -5.991   1.328
  174    HD3  ARG  25           HD1      ARG  25   5.071  -4.611   2.096
  175    HE   ARG  25           HE       ARG  25   5.817  -5.435   4.220
  176   HH11  ARG  25          HH11      ARG  25   7.155  -7.171   1.492
  177   HH12  ARG  25          HH12      ARG  25   8.482  -7.820   2.395
  178   HH21  ARG  25          HH21      ARG  25   7.550  -6.315   5.414
  179   HH22  ARG  25          HH22      ARG  25   8.705  -7.339   4.618
  180    H    ASN  26           HN       ASN  26   2.283  -8.834  -1.149
  181    HA   ASN  26           HA       ASN  26   3.962 -11.196  -1.488
  182    HB2  ASN  26           HB2      ASN  26   1.040 -10.688  -1.729
  183    HB3  ASN  26           HB1      ASN  26   1.719 -12.039  -2.626
  184   HD21  ASN  26          HD21      ASN  26   0.978 -10.764   0.469
  185   HD22  ASN  26          HD22      ASN  26   1.296 -12.200   1.384
  186    H    ASN  27           HN       ASN  27   2.193  -8.958  -3.580
  187    HA   ASN  27           HA       ASN  27   3.261 -10.294  -5.929
  188    HB2  ASN  27           HB2      ASN  27   1.974  -8.307  -7.078
  189    HB3  ASN  27           HB1      ASN  27   1.090  -9.667  -6.393
  190   HD21  ASN  27          HD21      ASN  27  -0.040  -9.415  -4.509
  191   HD22  ASN  27          HD22      ASN  27  -0.342  -7.872  -3.779
  192    H    GLU  28           HN       GLU  28   3.664  -7.187  -4.272
  193    HA   GLU  28           HA       GLU  28   5.643  -6.477  -6.324
  194    HB2  GLU  28           HB2      GLU  28   3.510  -5.058  -5.606
  195    HB3  GLU  28           HB1      GLU  28   4.624  -4.461  -4.386
  196    HG2  GLU  28           HG2      GLU  28   4.601  -3.013  -6.324
  197    HG3  GLU  28           HG1      GLU  28   6.180  -3.781  -6.146
  198    H    HIS  29           HN       HIS  29   5.206  -7.087  -2.960
  199    HA   HIS  29           HA       HIS  29   6.624  -7.550  -1.291
  200    HB2  HIS  29           HB2      HIS  29   7.782  -8.841  -3.143
  201    HB3  HIS  29           HB1      HIS  29   8.874  -7.471  -3.308
  202    HD1  HIS  29           HD1      HIS  29   7.779  -9.953  -0.633
  203    HD2  HIS  29           HD2      HIS  29  11.043  -7.598  -1.677
  204    HE1  HIS  29           HE1      HIS  29   9.603 -10.563   0.986
  205    HE2  HIS  29           HE2      HIS  29  11.519  -9.028   0.422
  206    H    LEU  30           HN       LEU  30   5.917  -4.860  -1.680
  207    HA   LEU  30           HA       LEU  30   8.225  -3.191  -1.640
  208    HB2  LEU  30           HB2      LEU  30   5.501  -2.426  -0.627
  209    HB3  LEU  30           HB1      LEU  30   6.792  -1.357  -1.118
  210    HG   LEU  30           HG       LEU  30   4.999  -3.033  -2.849
  211   HD11  LEU  30          HD11      LEU  30   4.234  -0.792  -2.218
  212   HD12  LEU  30          HD12      LEU  30   4.591  -0.900  -3.947
  213   HD13  LEU  30          HD13      LEU  30   5.733  -0.114  -2.861
  214   HD21  LEU  30          HD21      LEU  30   7.581  -1.700  -3.653
  215   HD22  LEU  30          HD22      LEU  30   6.380  -2.352  -4.766
  216   HD23  LEU  30          HD23      LEU  30   7.242  -3.431  -3.669
  217    H    LEU  31           HN       LEU  31   7.720  -1.396   0.475
  218    HA   LEU  31           HA       LEU  31   9.215  -2.964   2.421
  219    HB2  LEU  31           HB2      LEU  31   8.814   0.013   2.330
  220    HB3  LEU  31           HB1      LEU  31  10.064  -0.864   3.195
  221    HG   LEU  31           HG       LEU  31   9.756  -0.568   0.220
  222   HD11  LEU  31          HD11      LEU  31  12.006   0.417   0.381
  223   HD12  LEU  31          HD12      LEU  31  11.932   0.255   2.133
  224   HD13  LEU  31          HD13      LEU  31  10.805   1.324   1.299
  225   HD21  LEU  31          HD21      LEU  31  11.806  -1.946   0.048
  226   HD22  LEU  31          HD22      LEU  31  10.391  -2.832   0.617
  227   HD23  LEU  31          HD23      LEU  31  11.642  -2.337   1.762
  228    H    SER  32           HN       SER  32   6.575  -0.516   2.634
  229    HA   SER  32           HA       SER  32   5.941  -1.667   5.271
  230    HB2  SER  32           HB2      SER  32   5.974   0.921   4.679
  231    HB3  SER  32           HB1      SER  32   4.352   0.577   4.092
  232    HG   SER  32           HG       SER  32   4.960  -0.442   6.596
  233    H    GLY  33           HN       GLY  33   4.820  -1.402   2.042
  234    HA2  GLY  33           HA2      GLY  33   3.411  -2.676   0.851
  235    HA3  GLY  33           HA1      GLY  33   3.539  -3.858   2.122
  236    H    ARG  34           HN       ARG  34   2.112  -0.770   2.984
  237    HA   ARG  34           HA       ARG  34  -0.315  -2.276   3.455
  238    HB2  ARG  34           HB2      ARG  34   0.002   0.685   3.962
  239    HB3  ARG  34           HB1      ARG  34  -1.032  -0.481   4.772
  240    HG2  ARG  34           HG2      ARG  34   0.808  -1.467   5.914
  241    HG3  ARG  34           HG1      ARG  34   1.957  -0.472   5.012
  242    HD2  ARG  34           HD2      ARG  34   0.553   1.528   5.965
  243    HD3  ARG  34           HD1      ARG  34   0.029   0.331   7.159
  244    HE   ARG  34           HE       ARG  34   2.857   0.325   6.913
  245   HH11  ARG  34          HH11      ARG  34   0.207   2.158   8.269
  246   HH12  ARG  34          HH12      ARG  34   1.167   2.865   9.524
  247   HH21  ARG  34          HH21      ARG  34   4.130   1.248   8.560
  248   HH22  ARG  34          HH22      ARG  34   3.405   2.336   9.697
  249    H    CYS  35           HN       CYS  35  -0.846  -2.641   1.108
  250    HA   CYS  35           HA       CYS  35  -1.832  -0.265  -0.300
  251    HB2  CYS  35           HB2      CYS  35  -0.585  -2.589  -1.169
  252    HB3  CYS  35           HB1      CYS  35  -2.253  -2.767  -1.694
  253    H    ARG  36           HN       ARG  36  -3.928   0.379   0.011
  254    HA   ARG  36           HA       ARG  36  -5.988  -1.607  -0.514
  255    HB2  ARG  36           HB2      ARG  36  -6.503   0.294   1.731
  256    HB3  ARG  36           HB1      ARG  36  -7.372  -1.170   1.313
  257    HG2  ARG  36           HG2      ARG  36  -5.348  -2.445   1.958
  258    HG3  ARG  36           HG1      ARG  36  -4.680  -0.929   2.558
  259    HD2  ARG  36           HD2      ARG  36  -7.352  -1.850   3.483
  260    HD3  ARG  36           HD1      ARG  36  -5.910  -2.572   4.175
  261    HE   ARG  36           HE       ARG  36  -6.055   0.330   4.232
  262   HH11  ARG  36          HH11      ARG  36  -6.547  -2.698   5.945
  263   HH12  ARG  36          HH12      ARG  36  -6.546  -1.956   7.512
  264   HH21  ARG  36          HH21      ARG  36  -6.027   1.299   6.333
  265   HH22  ARG  36          HH22      ARG  36  -6.258   0.293   7.729
  266    H    ASP  37           HN       ASP  37  -8.207  -0.405  -0.569
  267    HA   ASP  37           HA       ASP  37  -7.886   2.138  -2.026
  268    HB2  ASP  37           HB2      ASP  37  -8.342   0.601  -3.735
  269    HB3  ASP  37           HB1      ASP  37  -9.448  -0.332  -2.737
  270    H    ASP  38           HN       ASP  38 -10.642   0.156  -0.900
  271    HA   ASP  38           HA       ASP  38 -12.214   2.335  -0.094
  272    HB2  ASP  38           HB2      ASP  38 -13.137   0.077  -0.462
  273    HB3  ASP  38           HB1      ASP  38 -12.269  -0.507   0.956
  274    H    PHE  39           HN       PHE  39 -10.147   0.177   1.746
  275    HA   PHE  39           HA       PHE  39 -10.167   1.968   4.044
  276    HB2  PHE  39           HB2      PHE  39  -8.553  -0.555   3.757
  277    HB3  PHE  39           HB1      PHE  39  -9.101   0.218   5.234
  278    HD1  PHE  39           HD1      PHE  39  -9.796  -2.282   2.767
  279    HD2  PHE  39           HD2      PHE  39 -11.591   0.223   5.722
  280    HE1  PHE  39           HE1      PHE  39 -11.777  -3.739   2.813
  281    HE2  PHE  39           HE2      PHE  39 -13.563  -1.245   5.770
  282    HZ   PHE  39           HZ       PHE  39 -13.659  -3.226   4.315
  283    H    ARG  40           HN       ARG  40  -7.873   2.468   4.958
  284    HA   ARG  40           HA       ARG  40  -6.136   3.084   2.654
  285    HB2  ARG  40           HB2      ARG  40  -6.554   4.910   5.021
  286    HB3  ARG  40           HB1      ARG  40  -5.691   5.270   3.533
  287    HG2  ARG  40           HG2      ARG  40  -7.828   5.089   2.301
  288    HG3  ARG  40           HG1      ARG  40  -8.657   4.859   3.840
  289    HD2  ARG  40           HD2      ARG  40  -7.127   7.283   2.917
  290    HD3  ARG  40           HD1      ARG  40  -8.857   7.158   3.223
  291    HE   ARG  40           HE       ARG  40  -7.013   6.694   5.448
  292   HH11  ARG  40          HH11      ARG  40  -9.412   8.729   3.914
  293   HH12  ARG  40          HH12      ARG  40  -9.630   9.734   5.307
  294   HH21  ARG  40          HH21      ARG  40  -7.302   8.009   7.278
  295   HH22  ARG  40          HH22      ARG  40  -8.435   9.322   7.223
  296    H    CYS  41           HN       CYS  41  -4.186   2.286   2.863
  297    HA   CYS  41           HA       CYS  41  -2.981   2.019   5.530
  298    HB2  CYS  41           HB2      CYS  41  -3.989  -0.060   4.026
  299    HB3  CYS  41           HB1      CYS  41  -2.281  -0.107   3.638
  300    H    TRP  42           HN       TRP  42  -0.647   2.436   5.552
  301    HA   TRP  42           HA       TRP  42   0.381   3.967   3.309
  302    HB2  TRP  42           HB2      TRP  42   1.615   3.221   5.964
  303    HB3  TRP  42           HB1      TRP  42   2.431   4.207   4.762
  304    HD1  TRP  42           HD1      TRP  42  -0.222   4.371   7.471
  305    HE1  TRP  42           HE1      TRP  42  -0.886   6.832   7.842
  306    HE3  TRP  42           HE3      TRP  42   2.206   6.484   3.504
  307    HZ2  TRP  42           HZ2      TRP  42  -0.444   9.337   6.595
  308    HZ3  TRP  42           HZ3      TRP  42   2.043   8.898   3.166
  309    HH2  TRP  42           HH2      TRP  42   0.740  10.302   4.670
  310    H    CYS  43           HN       CYS  43   1.134   2.732   1.489
  311    HA   CYS  43           HA       CYS  43   2.973   0.537   2.163
  312    HB2  CYS  43           HB2      CYS  43   1.187   0.119   0.438
  313    HB3  CYS  43           HB1      CYS  43   2.031   1.250  -0.619
  314    H    THR  44           HN       THR  44   5.014   0.982   2.367
  315    HA   THR  44           HA       THR  44   6.174   3.357   1.147
  316    HB   THR  44           HB       THR  44   7.592   1.492   3.050
  317    HG1  THR  44           HG1      THR  44   6.678   3.527   4.417
  318   HG21  THR  44          HG21      THR  44   9.075   3.039   2.136
  319   HG22  THR  44          HG22      THR  44   8.632   3.713   3.707
  320   HG23  THR  44          HG23      THR  44   7.905   4.353   2.231
  321    H    ASN  45           HN       ASN  45   7.914   3.319  -0.253
  322    HA   ASN  45           HA       ASN  45   8.973   0.733  -1.121
  323    HB2  ASN  45           HB2      ASN  45   6.937   1.377  -2.521
  324    HB3  ASN  45           HB1      ASN  45   7.881   2.738  -3.108
  325   HD21  ASN  45          HD21      ASN  45   8.917  -0.567  -2.415
  326   HD22  ASN  45          HD22      ASN  45   9.410  -0.935  -4.033
  327    H    ARG  46           HN       ARG  46  10.653   1.328  -3.010
  328    HA   ARG  46           HA       ARG  46  12.298   3.527  -1.993
  329    HB2  ARG  46           HB2      ARG  46  12.979   1.395  -4.026
  330    HB3  ARG  46           HB1      ARG  46  14.096   2.552  -3.320
  331    HG2  ARG  46           HG2      ARG  46  14.455   1.248  -1.570
  332    HG3  ARG  46           HG1      ARG  46  12.725   1.054  -1.281
  333    HD2  ARG  46           HD2      ARG  46  12.617  -0.690  -2.964
  334    HD3  ARG  46           HD1      ARG  46  14.334  -0.479  -3.313
  335    HE   ARG  46           HE       ARG  46  14.137  -1.022  -0.606
  336   HH11  ARG  46          HH11      ARG  46  13.468  -2.619  -3.640
  337   HH12  ARG  46          HH12      ARG  46  13.627  -4.214  -2.984
  338   HH21  ARG  46          HH21      ARG  46  14.397  -3.121   0.257
  339   HH22  ARG  46          HH22      ARG  46  14.177  -4.500  -0.773
  340    H    CYS  47           HN       CYS  47  12.425   5.390  -3.069
  341    HA   CYS  47           HA       CYS  47  11.575   5.427  -5.881
  342    HB2  CYS  47           HB2      CYS  47  10.929   7.395  -3.690
  343    HB3  CYS  47           HB1      CYS  47  10.690   7.747  -5.399
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1  12.492   7.173   7.224
    2    H2   LYS   1           HT2      LYS   1  12.172   8.106   5.850
    3    H3   LYS   1           HT3      LYS   1  13.633   7.267   5.978
    4    HA   LYS   1           HA       LYS   1  12.500   5.170   5.893
    5    HB2  LYS   1           HB2      LYS   1  10.104   5.065   5.445
    6    HB3  LYS   1           HB1      LYS   1  10.403   5.909   6.957
    7    HG2  LYS   1           HG2      LYS   1   9.953   8.017   5.961
    8    HG3  LYS   1           HG1      LYS   1   9.929   7.313   4.346
    9    HD2  LYS   1           HD2      LYS   1   7.663   7.742   5.115
   10    HD3  LYS   1           HD1      LYS   1   7.940   6.010   4.953
   11    HE2  LYS   1           HE2      LYS   1   6.728   6.426   6.988
   12    HE3  LYS   1           HE1      LYS   1   8.358   5.891   7.387
   13    HZ1  LYS   1           HZ1      LYS   1   7.733   7.726   8.780
   14    HZ2  LYS   1           HZ2      LYS   1   7.359   8.684   7.439
   15    HZ3  LYS   1           HZ3      LYS   1   8.961   8.233   7.733
   16    H    THR   2           HN       THR   2  10.939   4.590   3.782
   17    HA   THR   2           HA       THR   2  12.305   5.894   1.543
   18    HB   THR   2           HB       THR   2  11.213   3.815   0.369
   19    HG1  THR   2           HG1      THR   2  11.791   2.483   2.722
   20   HG21  THR   2          HG21      THR   2  13.287   2.564   0.841
   21   HG22  THR   2          HG22      THR   2  13.652   3.710   2.133
   22   HG23  THR   2          HG23      THR   2  13.591   4.258   0.457
   23    H    CYS   3           HN       CYS   3  10.803   5.762  -0.536
   24    HA   CYS   3           HA       CYS   3   8.832   7.698  -0.220
   25    HB2  CYS   3           HB2      CYS   3   8.876   5.613  -2.408
   26    HB3  CYS   3           HB1      CYS   3   8.198   7.236  -2.493
   27    H    GLU   4           HN       GLU   4   6.996   7.558   0.864
   28    HA   GLU   4           HA       GLU   4   5.512   5.023   0.840
   29    HB2  GLU   4           HB2      GLU   4   6.666   5.214   2.986
   30    HB3  GLU   4           HB1      GLU   4   6.029   6.838   3.204
   31    HG2  GLU   4           HG2      GLU   4   3.713   5.788   3.137
   32    HG3  GLU   4           HG1      GLU   4   4.530   4.225   3.303
   33    H    ASN   5           HN       ASN   5   3.326   5.215   0.661
   34    HA   ASN   5           HA       ASN   5   2.136   7.800   1.251
   35    HB2  ASN   5           HB2      ASN   5   0.982   8.062  -0.781
   36    HB3  ASN   5           HB1      ASN   5   2.625   7.671  -1.245
   37   HD21  ASN   5          HD21      ASN   5  -0.649   6.587  -1.096
   38   HD22  ASN   5          HD22      ASN   5  -0.469   5.229  -2.160
   39    H    LEU   6           HN       LEU   6  -0.069   7.692   1.628
   40    HA   LEU   6           HA       LEU   6  -0.951   5.088   2.551
   41    HB2  LEU   6           HB2      LEU   6  -1.218   7.548   3.650
   42    HB3  LEU   6           HB1      LEU   6  -2.745   7.420   2.797
   43    HG   LEU   6           HG       LEU   6  -1.708   5.585   4.978
   44   HD11  LEU   6          HD11      LEU   6  -4.145   7.367   4.779
   45   HD12  LEU   6          HD12      LEU   6  -2.697   7.696   5.728
   46   HD13  LEU   6          HD13      LEU   6  -3.727   6.326   6.139
   47   HD21  LEU   6          HD21      LEU   6  -2.740   4.187   3.370
   48   HD22  LEU   6          HD22      LEU   6  -4.105   5.302   3.187
   49   HD23  LEU   6          HD23      LEU   6  -3.870   4.426   4.703
   50    H    SER   7           HN       SER   7  -2.125   3.848   1.314
   51    HA   SER   7           HA       SER   7  -3.195   4.862  -1.165
   52    HB2  SER   7           HB2      SER   7  -3.708   2.390  -1.512
   53    HB3  SER   7           HB1      SER   7  -2.008   2.818  -1.367
   54    HG   SER   7           HG       SER   7  -2.115   2.156   0.833
   55    H    GLY   8           HN       GLY   8  -5.244   5.360  -1.496
   56    HA2  GLY   8           HA2      GLY   8  -7.520   4.110  -0.765
   57    HA3  GLY   8           HA1      GLY   8  -7.150   5.077   0.655
   58    H    THR   9           HN       THR   9  -8.338   6.850   0.673
   59    HA   THR   9           HA       THR   9  -9.305   8.016  -1.753
   60    HB   THR   9           HB       THR   9 -10.739   8.042   0.199
   61    HG1  THR   9           HG1      THR   9 -10.764   9.831  -1.358
   62   HG21  THR   9          HG21      THR   9  -9.042   8.176   1.952
   63   HG22  THR   9          HG22      THR   9 -10.253   9.444   2.147
   64   HG23  THR   9          HG23      THR   9  -8.668   9.832   1.474
   65    H    PHE  10           HN       PHE  10  -6.800   8.823   0.626
   66    HA   PHE  10           HA       PHE  10  -6.112  11.226  -0.866
   67    HB2  PHE  10           HB2      PHE  10  -6.224  11.004   1.733
   68    HB3  PHE  10           HB1      PHE  10  -4.665  10.207   1.567
   69    HD1  PHE  10           HD1      PHE  10  -6.330  13.266   0.228
   70    HD2  PHE  10           HD2      PHE  10  -2.854  11.536   1.956
   71    HE1  PHE  10           HE1      PHE  10  -5.233  15.466   0.207
   72    HE2  PHE  10           HE2      PHE  10  -1.748  13.736   1.940
   73    HZ   PHE  10           HZ       PHE  10  -2.938  15.703   1.064
   74    H    LYS  11           HN       LYS  11  -4.148  11.418  -1.971
   75    HA   LYS  11           HA       LYS  11  -2.188  10.834  -2.966
   76    HB2  LYS  11           HB2      LYS  11  -2.096   8.724  -0.808
   77    HB3  LYS  11           HB1      LYS  11  -0.756   9.149  -1.863
   78    HG2  LYS  11           HG2      LYS  11  -0.278  11.032  -0.724
   79    HG3  LYS  11           HG1      LYS  11  -1.973  11.371  -0.361
   80    HD2  LYS  11           HD2      LYS  11  -2.000   9.902   1.450
   81    HD3  LYS  11           HD1      LYS  11  -0.544   9.081   0.928
   82    HE2  LYS  11           HE2      LYS  11  -0.781  11.857   2.077
   83    HE3  LYS  11           HE1      LYS  11  -0.008  10.463   2.823
   84    HZ1  LYS  11           HZ1      LYS  11   1.664  10.511   1.057
   85    HZ2  LYS  11           HZ2      LYS  11   1.627  11.968   1.908
   86    HZ3  LYS  11           HZ3      LYS  11   0.925  11.870   0.376
   87    H    GLY  12           HN       GLY  12  -4.821   9.393  -3.509
   88    HA2  GLY  12           HA2      GLY  12  -5.347   8.119  -5.392
   89    HA3  GLY  12           HA1      GLY  12  -3.691   7.557  -5.464
   90    HA   PRO  13           HA       PRO  13  -6.509   4.459  -3.290
   91    HB2  PRO  13           HB2      PRO  13  -7.638   3.253  -5.556
   92    HB3  PRO  13           HB1      PRO  13  -8.418   4.432  -4.506
   93    HG2  PRO  13           HG2      PRO  13  -7.720   4.814  -7.199
   94    HG3  PRO  13           HG1      PRO  13  -8.183   6.082  -6.052
   95    HD2  PRO  13           HD2      PRO  13  -5.460   5.202  -6.910
   96    HD3  PRO  13           HD1      PRO  13  -6.047   6.836  -6.534
   97    H    CYS  14           HN       CYS  14  -6.815   1.977  -3.824
   98    HA   CYS  14           HA       CYS  14  -4.738   0.818  -5.432
   99    HB2  CYS  14           HB2      CYS  14  -3.470   1.280  -3.406
  100    HB3  CYS  14           HB1      CYS  14  -4.681   0.458  -2.428
  101    H    ILE  15           HN       ILE  15  -6.323  -0.627  -2.577
  102    HA   ILE  15           HA       ILE  15  -8.024  -2.205  -4.347
  103    HB   ILE  15           HB       ILE  15  -7.296  -4.314  -3.259
  104   HG12  ILE  15          HG12      ILE  15  -5.344  -2.417  -2.004
  105   HG13  ILE  15          HG11      ILE  15  -6.197  -3.785  -1.301
  106   HG21  ILE  15          HG21      ILE  15  -6.568  -3.780  -5.502
  107   HG22  ILE  15          HG22      ILE  15  -5.267  -4.589  -4.625
  108   HG23  ILE  15          HG23      ILE  15  -5.216  -2.841  -4.868
  109   HD11  ILE  15          HD11      ILE  15  -3.884  -3.979  -3.208
  110   HD12  ILE  15          HD12      ILE  15  -4.726  -5.327  -2.446
  111   HD13  ILE  15          HD13      ILE  15  -3.809  -4.191  -1.460
  112    HA   PRO  16           HA       PRO  16 -10.571  -1.609  -0.735
  113    HB2  PRO  16           HB2      PRO  16 -12.829  -2.705  -2.030
  114    HB3  PRO  16           HB1      PRO  16 -12.364  -1.005  -1.980
  115    HG2  PRO  16           HG2      PRO  16 -12.412  -2.631  -4.258
  116    HG3  PRO  16           HG1      PRO  16 -11.617  -1.055  -4.118
  117    HD2  PRO  16           HD2      PRO  16 -10.454  -3.797  -3.926
  118    HD3  PRO  16           HD1      PRO  16  -9.752  -2.318  -4.606
  119    H    ASP  17           HN       ASP  17  -9.008  -4.104  -1.005
  120    HA   ASP  17           HA       ASP  17 -10.948  -6.151  -0.209
  121    HB2  ASP  17           HB2      ASP  17  -8.066  -6.468  -1.056
  122    HB3  ASP  17           HB1      ASP  17  -9.201  -7.775  -0.741
  123    H    GLY  18           HN       GLY  18  -8.365  -4.230   1.050
  124    HA2  GLY  18           HA2      GLY  18  -7.890  -3.891   3.302
  125    HA3  GLY  18           HA1      GLY  18  -8.962  -5.223   3.702
  126    H    ASN  19           HN       ASN  19  -6.624  -5.871   1.362
  127    HA   ASN  19           HA       ASN  19  -5.031  -7.409   3.263
  128    HB2  ASN  19           HB2      ASN  19  -4.330  -8.556   1.046
  129    HB3  ASN  19           HB1      ASN  19  -5.935  -8.862   1.688
  130   HD21  ASN  19          HD21      ASN  19  -5.159  -5.823   0.172
  131   HD22  ASN  19          HD22      ASN  19  -6.134  -6.053  -1.234
  132    H    CYS  20           HN       CYS  20  -4.333  -4.837   3.346
  133    HA   CYS  20           HA       CYS  20  -2.863  -3.848   1.214
  134    HB2  CYS  20           HB2      CYS  20  -2.026  -2.154   2.803
  135    HB3  CYS  20           HB1      CYS  20  -3.770  -2.297   2.805
  136    H    ASN  21           HN       ASN  21  -1.892  -5.518   4.136
  137    HA   ASN  21           HA       ASN  21   0.865  -5.146   3.707
  138    HB2  ASN  21           HB2      ASN  21  -0.715  -6.970   5.484
  139    HB3  ASN  21           HB1      ASN  21   1.032  -7.077   5.390
  140   HD21  ASN  21          HD21      ASN  21   1.344  -4.209   4.916
  141   HD22  ASN  21          HD22      ASN  21   1.051  -3.445   6.441
  142    H    LYS  22           HN       LYS  22  -1.100  -8.098   3.355
  143    HA   LYS  22           HA       LYS  22   1.057  -9.519   2.267
  144    HB2  LYS  22           HB2      LYS  22  -0.825 -11.086   1.408
  145    HB3  LYS  22           HB1      LYS  22  -0.545 -10.928   3.132
  146    HG2  LYS  22           HG2      LYS  22  -2.441  -9.477   3.363
  147    HG3  LYS  22           HG1      LYS  22  -2.702  -9.446   1.613
  148    HD2  LYS  22           HD2      LYS  22  -3.126 -11.841   1.629
  149    HD3  LYS  22           HD1      LYS  22  -2.809 -11.910   3.362
  150    HE2  LYS  22           HE2      LYS  22  -4.723 -10.407   3.737
  151    HE3  LYS  22           HE1      LYS  22  -5.038 -10.414   2.004
  152    HZ1  LYS  22           HZ1      LYS  22  -6.467 -11.970   3.136
  153    HZ2  LYS  22           HZ2      LYS  22  -5.135 -12.772   3.792
  154    HZ3  LYS  22           HZ3      LYS  22  -5.396 -12.804   2.123
  155    H    HIS  23           HN       HIS  23  -1.366  -7.487   0.695
  156    HA   HIS  23           HA       HIS  23  -0.891  -8.482  -1.904
  157    HB2  HIS  23           HB2      HIS  23  -2.791  -6.933  -1.182
  158    HB3  HIS  23           HB1      HIS  23  -1.631  -5.618  -1.350
  159    HD1  HIS  23           HD1      HIS  23  -0.993  -4.894  -3.726
  160    HD2  HIS  23           HD2      HIS  23  -3.567  -8.157  -3.616
  161    HE1  HIS  23           HE1      HIS  23  -1.787  -5.207  -6.083
  162    HE2  HIS  23           HE2      HIS  23  -3.486  -7.060  -5.959
  163    H    CYS  24           HN       CYS  24   0.473  -5.593  -0.279
  164    HA   CYS  24           HA       CYS  24   2.264  -4.977  -2.383
  165    HB2  CYS  24           HB2      CYS  24   1.963  -4.179   0.460
  166    HB3  CYS  24           HB1      CYS  24   3.546  -3.960  -0.261
  167    H    ARG  25           HN       ARG  25   2.538  -7.003   0.499
  168    HA   ARG  25           HA       ARG  25   5.424  -7.074   0.263
  169    HB2  ARG  25           HB2      ARG  25   3.587  -8.365   2.273
  170    HB3  ARG  25           HB1      ARG  25   5.337  -8.284   2.389
  171    HG2  ARG  25           HG2      ARG  25   3.482  -5.931   2.324
  172    HG3  ARG  25           HG1      ARG  25   4.258  -6.591   3.768
  173    HD2  ARG  25           HD2      ARG  25   6.221  -6.135   1.744
  174    HD3  ARG  25           HD1      ARG  25   5.282  -4.653   1.972
  175    HE   ARG  25           HE       ARG  25   5.999  -4.576   4.221
  176   HH11  ARG  25          HH11      ARG  25   7.405  -7.308   2.526
  177   HH12  ARG  25          HH12      ARG  25   8.679  -7.516   3.677
  178   HH21  ARG  25          HH21      ARG  25   7.669  -4.864   5.727
  179   HH22  ARG  25          HH22      ARG  25   8.826  -6.135   5.499
  180    H    ASN  26           HN       ASN  26   2.745  -9.278  -0.237
  181    HA   ASN  26           HA       ASN  26   4.557 -11.535  -0.520
  182    HB2  ASN  26           HB2      ASN  26   1.554 -11.312  -0.771
  183    HB3  ASN  26           HB1      ASN  26   2.437 -12.795  -1.082
  184   HD21  ASN  26          HD21      ASN  26   3.502 -10.645   1.395
  185   HD22  ASN  26          HD22      ASN  26   3.006 -11.604   2.744
  186    H    ASN  27           HN       ASN  27   2.591  -9.436  -2.546
  187    HA   ASN  27           HA       ASN  27   3.170 -11.014  -4.898
  188    HB2  ASN  27           HB2      ASN  27   1.720  -8.372  -4.674
  189    HB3  ASN  27           HB1      ASN  27   1.793  -9.391  -6.106
  190   HD21  ASN  27          HD21      ASN  27   0.449  -8.969  -2.958
  191   HD22  ASN  27          HD22      ASN  27  -0.757 -10.207  -3.069
  192    H    GLU  28           HN       GLU  28   3.936  -7.710  -3.762
  193    HA   GLU  28           HA       GLU  28   5.924  -7.593  -5.924
  194    HB2  GLU  28           HB2      GLU  28   4.061  -5.857  -5.764
  195    HB3  GLU  28           HB1      GLU  28   4.903  -5.228  -4.355
  196    HG2  GLU  28           HG2      GLU  28   6.859  -4.752  -5.696
  197    HG3  GLU  28           HG1      GLU  28   6.099  -5.485  -7.109
  198    H    HIS  29           HN       HIS  29   5.548  -7.584  -2.490
  199    HA   HIS  29           HA       HIS  29   7.030  -7.864  -0.824
  200    HB2  HIS  29           HB2      HIS  29   8.178  -9.389  -2.490
  201    HB3  HIS  29           HB1      HIS  29   9.213  -8.031  -2.913
  202    HD1  HIS  29           HD1      HIS  29   8.436 -10.346  -0.038
  203    HD2  HIS  29           HD2      HIS  29  11.315  -7.577  -1.186
  204    HE1  HIS  29           HE1      HIS  29  10.293 -10.557   1.644
  205    HE2  HIS  29           HE2      HIS  29  12.049  -8.908   0.901
  206    H    LEU  30           HN       LEU  30   6.209  -5.408  -1.117
  207    HA   LEU  30           HA       LEU  30   8.381  -3.574  -1.529
  208    HB2  LEU  30           HB2      LEU  30   5.653  -3.011  -0.375
  209    HB3  LEU  30           HB1      LEU  30   6.835  -1.817  -0.881
  210    HG   LEU  30           HG       LEU  30   5.132  -3.612  -2.575
  211   HD11  LEU  30          HD11      LEU  30   5.786  -0.673  -2.721
  212   HD12  LEU  30          HD12      LEU  30   4.322  -1.356  -2.006
  213   HD13  LEU  30          HD13      LEU  30   4.634  -1.541  -3.736
  214   HD21  LEU  30          HD21      LEU  30   6.476  -2.973  -4.526
  215   HD22  LEU  30          HD22      LEU  30   7.385  -3.970  -3.391
  216   HD23  LEU  30          HD23      LEU  30   7.663  -2.230  -3.452
  217    H    LEU  31           HN       LEU  31   8.007  -1.686   0.481
  218    HA   LEU  31           HA       LEU  31   9.678  -3.038   2.437
  219    HB2  LEU  31           HB2      LEU  31   9.121  -0.094   2.187
  220    HB3  LEU  31           HB1      LEU  31  10.474  -0.859   3.003
  221    HG   LEU  31           HG       LEU  31   9.943  -0.766   0.044
  222   HD11  LEU  31          HD11      LEU  31  12.080   0.393  -0.053
  223   HD12  LEU  31          HD12      LEU  31  12.231   0.278   1.699
  224   HD13  LEU  31          HD13      LEU  31  10.941   1.247   0.988
  225   HD21  LEU  31          HD21      LEU  31  12.023  -2.325   1.554
  226   HD22  LEU  31          HD22      LEU  31  12.068  -2.022  -0.184
  227   HD23  LEU  31          HD23      LEU  31  10.742  -2.955   0.515
  228    H    SER  32           HN       SER  32   6.882  -0.792   2.562
  229    HA   SER  32           HA       SER  32   6.428  -1.755   5.318
  230    HB2  SER  32           HB2      SER  32   5.630   0.693   3.815
  231    HB3  SER  32           HB1      SER  32   4.641   0.151   5.158
  232    HG   SER  32           HG       SER  32   6.623   1.667   5.428
  233    H    GLY  33           HN       GLY  33   4.960  -1.493   2.220
  234    HA2  GLY  33           HA2      GLY  33   3.487  -2.842   1.157
  235    HA3  GLY  33           HA1      GLY  33   3.744  -4.021   2.419
  236    H    ARG  34           HN       ARG  34   2.296  -0.787   2.823
  237    HA   ARG  34           HA       ARG  34  -0.151  -2.188   3.585
  238    HB2  ARG  34           HB2      ARG  34   1.330   0.127   4.434
  239    HB3  ARG  34           HB1      ARG  34  -0.336   0.586   4.141
  240    HG2  ARG  34           HG2      ARG  34  -1.029  -1.213   5.707
  241    HG3  ARG  34           HG1      ARG  34   0.679  -1.565   5.998
  242    HD2  ARG  34           HD2      ARG  34   1.046   0.610   6.924
  243    HD3  ARG  34           HD1      ARG  34  -0.566   1.161   6.441
  244    HE   ARG  34           HE       ARG  34  -1.087  -0.940   8.071
  245   HH11  ARG  34          HH11      ARG  34   0.967   1.869   8.451
  246   HH12  ARG  34          HH12      ARG  34   0.696   1.994  10.157
  247   HH21  ARG  34          HH21      ARG  34  -1.436  -0.782  10.320
  248   HH22  ARG  34          HH22      ARG  34  -0.665   0.486  11.221
  249    H    CYS  35           HN       CYS  35  -0.637  -2.565   1.135
  250    HA   CYS  35           HA       CYS  35  -1.724  -0.146  -0.103
  251    HB2  CYS  35           HB2      CYS  35  -0.239  -2.036  -1.263
  252    HB3  CYS  35           HB1      CYS  35  -1.838  -2.691  -1.598
  253    H    ARG  36           HN       ARG  36  -3.812   0.409   0.252
  254    HA   ARG  36           HA       ARG  36  -5.851  -1.580  -0.394
  255    HB2  ARG  36           HB2      ARG  36  -5.699  -0.201   2.251
  256    HB3  ARG  36           HB1      ARG  36  -7.255  -0.626   1.567
  257    HG2  ARG  36           HG2      ARG  36  -6.994  -2.816   1.953
  258    HG3  ARG  36           HG1      ARG  36  -5.258  -2.778   1.669
  259    HD2  ARG  36           HD2      ARG  36  -5.157  -3.073   3.893
  260    HD3  ARG  36           HD1      ARG  36  -5.378  -1.333   3.932
  261    HE   ARG  36           HE       ARG  36  -7.901  -2.471   4.030
  262   HH11  ARG  36          HH11      ARG  36  -4.983  -2.410   5.962
  263   HH12  ARG  36          HH12      ARG  36  -5.808  -2.701   7.459
  264   HH21  ARG  36          HH21      ARG  36  -9.000  -2.892   6.035
  265   HH22  ARG  36          HH22      ARG  36  -8.074  -2.974   7.498
  266    H    ASP  37           HN       ASP  37  -8.125  -0.321  -0.183
  267    HA   ASP  37           HA       ASP  37  -7.801   2.353  -1.372
  268    HB2  ASP  37           HB2      ASP  37  -8.237   1.021  -3.264
  269    HB3  ASP  37           HB1      ASP  37  -9.427   0.042  -2.412
  270    H    ASP  38           HN       ASP  38 -10.627   0.314  -0.672
  271    HA   ASP  38           HA       ASP  38 -12.208   2.330   0.438
  272    HB2  ASP  38           HB2      ASP  38 -13.098   0.166  -0.338
  273    HB3  ASP  38           HB1      ASP  38 -12.278  -0.651   0.989
  274    H    PHE  39           HN       PHE  39  -9.985   0.075   1.864
  275    HA   PHE  39           HA       PHE  39 -10.078   1.484   4.431
  276    HB2  PHE  39           HB2      PHE  39  -8.391  -0.930   3.863
  277    HB3  PHE  39           HB1      PHE  39  -9.072  -0.395   5.394
  278    HD1  PHE  39           HD1      PHE  39  -9.405  -2.617   2.663
  279    HD2  PHE  39           HD2      PHE  39 -11.640  -0.512   5.617
  280    HE1  PHE  39           HE1      PHE  39 -11.285  -4.182   2.365
  281    HE2  PHE  39           HE2      PHE  39 -13.512  -2.078   5.327
  282    HZ   PHE  39           HZ       PHE  39 -13.336  -3.916   3.699
  283    H    ARG  40           HN       ARG  40  -7.690   1.804   5.348
  284    HA   ARG  40           HA       ARG  40  -6.165   2.857   3.071
  285    HB2  ARG  40           HB2      ARG  40  -6.777   4.295   5.657
  286    HB3  ARG  40           HB1      ARG  40  -5.662   4.877   4.433
  287    HG2  ARG  40           HG2      ARG  40  -7.500   4.984   2.818
  288    HG3  ARG  40           HG1      ARG  40  -8.615   4.444   4.076
  289    HD2  ARG  40           HD2      ARG  40  -6.976   6.976   4.093
  290    HD3  ARG  40           HD1      ARG  40  -8.716   6.857   3.837
  291    HE   ARG  40           HE       ARG  40  -7.940   5.681   6.309
  292   HH11  ARG  40          HH11      ARG  40  -8.506   8.780   4.777
  293   HH12  ARG  40          HH12      ARG  40  -8.944   9.568   6.255
  294   HH21  ARG  40          HH21      ARG  40  -8.491   6.712   8.249
  295   HH22  ARG  40          HH22      ARG  40  -8.935   8.392   8.233
  296    H    CYS  41           HN       CYS  41  -4.222   2.161   3.006
  297    HA   CYS  41           HA       CYS  41  -2.734   1.652   5.480
  298    HB2  CYS  41           HB2      CYS  41  -3.390  -0.175   3.245
  299    HB3  CYS  41           HB1      CYS  41  -1.762  -0.296   3.875
  300    H    TRP  42           HN       TRP  42  -0.494   2.315   5.400
  301    HA   TRP  42           HA       TRP  42   0.388   3.887   3.106
  302    HB2  TRP  42           HB2      TRP  42   1.806   3.250   5.697
  303    HB3  TRP  42           HB1      TRP  42   2.373   4.384   4.489
  304    HD1  TRP  42           HD1      TRP  42  -0.248   4.007   7.253
  305    HE1  TRP  42           HE1      TRP  42  -1.084   6.354   7.908
  306    HE3  TRP  42           HE3      TRP  42   2.057   6.744   3.601
  307    HZ2  TRP  42           HZ2      TRP  42  -0.801   9.009   6.991
  308    HZ3  TRP  42           HZ3      TRP  42   1.724   9.166   3.559
  309    HH2  TRP  42           HH2      TRP  42   0.326  10.283   5.217
  310    H    CYS  43           HN       CYS  43   1.202   2.593   1.343
  311    HA   CYS  43           HA       CYS  43   3.066   0.466   2.133
  312    HB2  CYS  43           HB2      CYS  43   1.268  -0.034   0.405
  313    HB3  CYS  43           HB1      CYS  43   2.189   0.972  -0.717
  314    H    THR  44           HN       THR  44   5.166   0.602   1.909
  315    HA   THR  44           HA       THR  44   6.257   3.098   0.818
  316    HB   THR  44           HB       THR  44   7.595   1.380   2.906
  317    HG1  THR  44           HG1      THR  44   6.512   3.560   3.991
  318   HG21  THR  44          HG21      THR  44   8.537   3.677   3.487
  319   HG22  THR  44          HG22      THR  44   7.936   4.176   1.902
  320   HG23  THR  44          HG23      THR  44   9.127   2.881   2.031
  321    H    ASN  45           HN       ASN  45   7.939   3.050  -0.550
  322    HA   ASN  45           HA       ASN  45   9.576   0.727  -0.996
  323    HB2  ASN  45           HB2      ASN  45   7.469   0.299  -2.352
  324    HB3  ASN  45           HB1      ASN  45   7.884   1.721  -3.301
  325   HD21  ASN  45          HD21      ASN  45   8.951  -1.488  -2.374
  326   HD22  ASN  45          HD22      ASN  45   9.931  -1.766  -3.767
  327    H    ARG  46           HN       ARG  46  10.820   1.479  -3.352
  328    HA   ARG  46           HA       ARG  46  11.833   4.134  -2.602
  329    HB2  ARG  46           HB2      ARG  46  13.172   2.135  -4.425
  330    HB3  ARG  46           HB1      ARG  46  13.877   3.585  -3.738
  331    HG2  ARG  46           HG2      ARG  46  14.774   2.123  -2.288
  332    HG3  ARG  46           HG1      ARG  46  13.213   2.297  -1.482
  333    HD2  ARG  46           HD2      ARG  46  12.375   0.337  -2.604
  334    HD3  ARG  46           HD1      ARG  46  13.867   0.183  -3.524
  335    HE   ARG  46           HE       ARG  46  14.241   0.128  -0.669
  336   HH11  ARG  46          HH11      ARG  46  13.558  -1.771  -3.530
  337   HH12  ARG  46          HH12      ARG  46  14.158  -3.248  -2.847
  338   HH21  ARG  46          HH21      ARG  46  15.035  -1.820   0.236
  339   HH22  ARG  46          HH22      ARG  46  15.004  -3.279  -0.708
  340    H    CYS  47           HN       CYS  47  11.710   5.809  -3.994
  341    HA   CYS  47           HA       CYS  47  10.624   5.225  -6.658
  342    HB2  CYS  47           HB2      CYS  47   9.471   7.402  -6.577
  343    HB3  CYS  47           HB1      CYS  47   8.933   6.325  -5.298
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1  13.653   6.388   6.365
    2    H2   LYS   1           HT2      LYS   1  12.460   6.102   7.528
    3    H3   LYS   1           HT3      LYS   1  12.178   7.206   6.278
    4    HA   LYS   1           HA       LYS   1  12.595   4.303   5.925
    5    HB2  LYS   1           HB2      LYS   1  10.203   4.242   5.337
    6    HB3  LYS   1           HB1      LYS   1  10.447   4.773   6.995
    7    HG2  LYS   1           HG2      LYS   1  10.135   7.094   6.292
    8    HG3  LYS   1           HG1      LYS   1   9.875   6.553   4.636
    9    HD2  LYS   1           HD2      LYS   1   7.741   6.979   5.684
   10    HD3  LYS   1           HD1      LYS   1   7.920   5.246   5.409
   11    HE2  LYS   1           HE2      LYS   1   8.525   4.919   7.741
   12    HE3  LYS   1           HE1      LYS   1   8.435   6.654   8.026
   13    HZ1  LYS   1           HZ1      LYS   1   6.095   6.611   7.599
   14    HZ2  LYS   1           HZ2      LYS   1   6.442   5.434   8.760
   15    HZ3  LYS   1           HZ3      LYS   1   6.141   4.980   7.154
   16    H    THR   2           HN       THR   2  11.155   4.014   3.642
   17    HA   THR   2           HA       THR   2  12.523   5.766   1.732
   18    HB   THR   2           HB       THR   2  12.018   4.133   0.019
   19    HG1  THR   2           HG1      THR   2  10.152   3.188   0.580
   20   HG21  THR   2          HG21      THR   2  13.355   2.241   0.868
   21   HG22  THR   2          HG22      THR   2  13.201   2.891   2.499
   22   HG23  THR   2          HG23      THR   2  14.068   3.803   1.263
   23    H    CYS   3           HN       CYS   3  10.982   5.841  -0.390
   24    HA   CYS   3           HA       CYS   3   9.096   7.794   0.225
   25    HB2  CYS   3           HB2      CYS   3   9.029   6.014  -2.218
   26    HB3  CYS   3           HB1      CYS   3   8.399   7.652  -2.074
   27    H    GLU   4           HN       GLU   4   7.275   7.567   1.322
   28    HA   GLU   4           HA       GLU   4   5.859   4.996   1.151
   29    HB2  GLU   4           HB2      GLU   4   6.846   5.303   3.353
   30    HB3  GLU   4           HB1      GLU   4   6.095   6.887   3.494
   31    HG2  GLU   4           HG2      GLU   4   3.871   5.781   3.373
   32    HG3  GLU   4           HG1      GLU   4   4.694   4.218   3.419
   33    H    ASN   5           HN       ASN   5   3.899   5.084   0.340
   34    HA   ASN   5           HA       ASN   5   2.460   7.650   0.531
   35    HB2  ASN   5           HB2      ASN   5   3.151   6.729  -1.809
   36    HB3  ASN   5           HB1      ASN   5   1.834   5.609  -1.528
   37   HD21  ASN   5          HD21      ASN   5  -0.264   6.467  -1.148
   38   HD22  ASN   5          HD22      ASN   5  -0.715   7.939  -1.931
   39    H    LEU   6           HN       LEU   6   0.333   7.535   0.880
   40    HA   LEU   6           HA       LEU   6  -0.583   5.092   2.181
   41    HB2  LEU   6           HB2      LEU   6  -0.797   7.644   3.062
   42    HB3  LEU   6           HB1      LEU   6  -2.338   7.454   2.245
   43    HG   LEU   6           HG       LEU   6  -1.275   5.753   4.528
   44   HD11  LEU   6          HD11      LEU   6  -3.655   7.608   4.292
   45   HD12  LEU   6          HD12      LEU   6  -2.170   7.935   5.184
   46   HD13  LEU   6          HD13      LEU   6  -3.240   6.631   5.698
   47   HD21  LEU   6          HD21      LEU   6  -3.649   5.404   2.735
   48   HD22  LEU   6          HD22      LEU   6  -3.605   4.769   4.380
   49   HD23  LEU   6          HD23      LEU   6  -2.406   4.227   3.201
   50    H    SER   7           HN       SER   7  -1.594   3.754   0.955
   51    HA   SER   7           HA       SER   7  -2.818   4.641  -1.512
   52    HB2  SER   7           HB2      SER   7  -2.573   1.836  -0.404
   53    HB3  SER   7           HB1      SER   7  -2.874   2.309  -2.071
   54    HG   SER   7           HG       SER   7  -0.679   3.524  -1.469
   55    H    GLY   8           HN       GLY   8  -4.904   5.112  -1.608
   56    HA2  GLY   8           HA2      GLY   8  -7.048   3.667  -0.903
   57    HA3  GLY   8           HA1      GLY   8  -6.640   4.447   0.617
   58    H    THR   9           HN       THR   9  -7.842   6.143   0.977
   59    HA   THR   9           HA       THR   9  -9.286   7.464  -1.071
   60    HB   THR   9           HB       THR   9 -10.311   7.390   1.064
   61    HG1  THR   9           HG1      THR   9 -10.432   9.433  -0.193
   62   HG21  THR   9          HG21      THR   9  -8.314   7.168   2.452
   63   HG22  THR   9          HG22      THR   9  -9.375   8.436   3.066
   64   HG23  THR   9          HG23      THR   9  -7.919   8.863   2.166
   65    H    PHE  10           HN       PHE  10  -6.416   8.439   0.841
   66    HA   PHE  10           HA       PHE  10  -6.194  10.853  -0.778
   67    HB2  PHE  10           HB2      PHE  10  -3.975  10.221   1.046
   68    HB3  PHE  10           HB1      PHE  10  -4.864  11.720   0.841
   69    HD1  PHE  10           HD1      PHE  10  -4.603   8.597   2.664
   70    HD2  PHE  10           HD2      PHE  10  -6.847  12.174   2.164
   71    HE1  PHE  10           HE1      PHE  10  -5.714   8.204   4.832
   72    HE2  PHE  10           HE2      PHE  10  -7.965  11.789   4.321
   73    HZ   PHE  10           HZ       PHE  10  -7.395   9.803   5.660
   74    H    LYS  11           HN       LYS  11  -4.497  11.207  -2.214
   75    HA   LYS  11           HA       LYS  11  -2.531  10.906  -3.324
   76    HB2  LYS  11           HB2      LYS  11  -1.945   8.898  -1.151
   77    HB3  LYS  11           HB1      LYS  11  -0.768   9.678  -2.193
   78    HG2  LYS  11           HG2      LYS  11  -0.793  11.610  -1.008
   79    HG3  LYS  11           HG1      LYS  11  -2.491  11.437  -0.554
   80    HD2  LYS  11           HD2      LYS  11  -1.982   9.879   1.144
   81    HD3  LYS  11           HD1      LYS  11  -0.360   9.623   0.533
   82    HE2  LYS  11           HE2      LYS  11  -0.298  10.973   2.547
   83    HE3  LYS  11           HE1      LYS  11   0.229  11.926   1.162
   84    HZ1  LYS  11           HZ1      LYS  11  -1.285  13.140   2.634
   85    HZ2  LYS  11           HZ2      LYS  11  -2.499  12.005   2.333
   86    HZ3  LYS  11           HZ3      LYS  11  -1.920  12.978   1.075
   87    H    GLY  12           HN       GLY  12  -4.874   9.119  -3.873
   88    HA2  GLY  12           HA2      GLY  12  -5.023   7.714  -5.778
   89    HA3  GLY  12           HA1      GLY  12  -3.382   7.179  -5.491
   90    HA   PRO  13           HA       PRO  13  -6.600   4.403  -3.272
   91    HB2  PRO  13           HB2      PRO  13  -7.701   3.126  -5.588
   92    HB3  PRO  13           HB1      PRO  13  -8.528   4.162  -4.424
   93    HG2  PRO  13           HG2      PRO  13  -8.093   4.834  -7.053
   94    HG3  PRO  13           HG1      PRO  13  -8.325   6.013  -5.751
   95    HD2  PRO  13           HD2      PRO  13  -5.779   5.045  -6.997
   96    HD3  PRO  13           HD1      PRO  13  -6.260   6.693  -6.539
   97    H    CYS  14           HN       CYS  14  -7.057   1.831  -3.923
   98    HA   CYS  14           HA       CYS  14  -4.803   0.615  -5.215
   99    HB2  CYS  14           HB2      CYS  14  -4.366   1.320  -2.607
  100    HB3  CYS  14           HB1      CYS  14  -4.935  -0.336  -2.436
  101    H    ILE  15           HN       ILE  15  -6.494  -0.862  -2.467
  102    HA   ILE  15           HA       ILE  15  -8.251  -2.342  -4.260
  103    HB   ILE  15           HB       ILE  15  -7.573  -4.521  -3.399
  104   HG12  ILE  15          HG12      ILE  15  -5.522  -2.888  -1.895
  105   HG13  ILE  15          HG11      ILE  15  -6.660  -4.083  -1.279
  106   HG21  ILE  15          HG21      ILE  15  -5.309  -2.987  -4.667
  107   HG22  ILE  15          HG22      ILE  15  -6.632  -3.800  -5.505
  108   HG23  ILE  15          HG23      ILE  15  -5.444  -4.744  -4.607
  109   HD11  ILE  15          HD11      ILE  15  -4.409  -4.949  -1.256
  110   HD12  ILE  15          HD12      ILE  15  -4.265  -4.670  -2.991
  111   HD13  ILE  15          HD13      ILE  15  -5.415  -5.860  -2.382
  112    HA   PRO  16           HA       PRO  16 -10.686  -1.946  -0.579
  113    HB2  PRO  16           HB2      PRO  16 -13.005  -2.845  -1.563
  114    HB3  PRO  16           HB1      PRO  16 -12.286  -1.334  -2.126
  115    HG2  PRO  16           HG2      PRO  16 -12.431  -3.971  -3.472
  116    HG3  PRO  16           HG1      PRO  16 -12.379  -2.350  -4.178
  117    HD2  PRO  16           HD2      PRO  16 -10.216  -4.173  -3.865
  118    HD3  PRO  16           HD1      PRO  16 -10.133  -2.502  -4.439
  119    H    ASP  17           HN       ASP  17  -9.159  -4.592  -1.139
  120    HA   ASP  17           HA       ASP  17 -11.012  -6.584  -0.159
  121    HB2  ASP  17           HB2      ASP  17  -8.077  -6.792  -0.829
  122    HB3  ASP  17           HB1      ASP  17  -9.095  -8.147  -0.356
  123    H    GLY  18           HN       GLY  18  -8.682  -4.461   1.222
  124    HA2  GLY  18           HA2      GLY  18  -8.236  -4.074   3.456
  125    HA3  GLY  18           HA1      GLY  18  -9.371  -5.351   3.862
  126    H    ASN  19           HN       ASN  19  -6.474  -5.480   1.901
  127    HA   ASN  19           HA       ASN  19  -5.193  -7.355   3.755
  128    HB2  ASN  19           HB2      ASN  19  -4.592  -8.790   1.852
  129    HB3  ASN  19           HB1      ASN  19  -6.345  -8.642   1.964
  130   HD21  ASN  19          HD21      ASN  19  -6.769  -6.215   0.831
  131   HD22  ASN  19          HD22      ASN  19  -6.261  -6.167  -0.804
  132    H    CYS  20           HN       CYS  20  -4.580  -4.696   3.567
  133    HA   CYS  20           HA       CYS  20  -3.241  -3.829   1.366
  134    HB2  CYS  20           HB2      CYS  20  -2.502  -1.962   2.727
  135    HB3  CYS  20           HB1      CYS  20  -4.188  -2.298   3.018
  136    H    ASN  21           HN       ASN  21  -1.530  -4.306   4.468
  137    HA   ASN  21           HA       ASN  21   0.986  -4.075   3.381
  138    HB2  ASN  21           HB2      ASN  21   1.893  -5.069   5.409
  139    HB3  ASN  21           HB1      ASN  21   0.594  -3.948   5.787
  140   HD21  ASN  21          HD21      ASN  21  -1.541  -5.735   5.125
  141   HD22  ASN  21          HD22      ASN  21  -1.594  -6.934   6.374
  142    H    LYS  22           HN       LYS  22  -0.821  -7.102   3.836
  143    HA   LYS  22           HA       LYS  22   1.316  -8.731   2.974
  144    HB2  LYS  22           HB2      LYS  22  -0.642 -10.392   2.497
  145    HB3  LYS  22           HB1      LYS  22  -0.219  -9.962   4.145
  146    HG2  LYS  22           HG2      LYS  22  -2.064  -8.389   4.228
  147    HG3  LYS  22           HG1      LYS  22  -2.482  -8.757   2.553
  148    HD2  LYS  22           HD2      LYS  22  -3.052 -11.001   3.108
  149    HD3  LYS  22           HD1      LYS  22  -2.375 -10.841   4.729
  150    HE2  LYS  22           HE2      LYS  22  -4.107  -9.311   5.362
  151    HE3  LYS  22           HE1      LYS  22  -4.719  -9.251   3.713
  152    HZ1  LYS  22           HZ1      LYS  22  -6.084 -10.683   5.042
  153    HZ2  LYS  22           HZ2      LYS  22  -4.749 -11.611   5.503
  154    HZ3  LYS  22           HZ3      LYS  22  -5.262 -11.611   3.890
  155    H    HIS  23           HN       HIS  23  -1.205  -7.031   1.187
  156    HA   HIS  23           HA       HIS  23  -0.964  -8.477  -1.210
  157    HB2  HIS  23           HB2      HIS  23  -2.781  -6.821  -0.734
  158    HB3  HIS  23           HB1      HIS  23  -1.609  -5.535  -1.007
  159    HD1  HIS  23           HD1      HIS  23  -1.046  -4.947  -3.434
  160    HD2  HIS  23           HD2      HIS  23  -3.480  -8.300  -3.069
  161    HE1  HIS  23           HE1      HIS  23  -1.830  -5.470  -5.760
  162    HE2  HIS  23           HE2      HIS  23  -3.386  -7.434  -5.503
  163    H    CYS  24           HN       CYS  24   0.493  -5.292  -0.451
  164    HA   CYS  24           HA       CYS  24   2.219  -5.161  -2.632
  165    HB2  CYS  24           HB2      CYS  24   2.522  -4.154   0.180
  166    HB3  CYS  24           HB1      CYS  24   3.805  -3.955  -0.991
  167    H    ARG  25           HN       ARG  25   2.902  -6.496   0.620
  168    HA   ARG  25           HA       ARG  25   5.553  -7.084   0.036
  169    HB2  ARG  25           HB2      ARG  25   3.725  -7.745   2.243
  170    HB3  ARG  25           HB1      ARG  25   5.192  -8.703   2.102
  171    HG2  ARG  25           HG2      ARG  25   6.088  -7.014   3.307
  172    HG3  ARG  25           HG1      ARG  25   6.177  -6.254   1.714
  173    HD2  ARG  25           HD2      ARG  25   5.123  -4.579   2.925
  174    HD3  ARG  25           HD1      ARG  25   3.788  -5.508   2.219
  175    HE   ARG  25           HE       ARG  25   3.236  -6.393   4.275
  176   HH11  ARG  25          HH11      ARG  25   6.133  -4.442   4.578
  177   HH12  ARG  25          HH12      ARG  25   6.054  -4.385   6.306
  178   HH21  ARG  25          HH21      ARG  25   3.153  -6.330   6.535
  179   HH22  ARG  25          HH22      ARG  25   4.356  -5.447   7.419
  180    H    ASN  26           HN       ASN  26   2.710  -8.986  -0.478
  181    HA   ASN  26           HA       ASN  26   4.242 -11.425  -0.853
  182    HB2  ASN  26           HB2      ASN  26   1.315 -10.774  -1.092
  183    HB3  ASN  26           HB1      ASN  26   1.958 -12.297  -1.685
  184   HD21  ASN  26          HD21      ASN  26   3.303 -10.730   1.090
  185   HD22  ASN  26          HD22      ASN  26   2.724 -11.857   2.265
  186    H    ASN  27           HN       ASN  27   2.588  -9.058  -2.868
  187    HA   ASN  27           HA       ASN  27   3.083 -10.638  -5.248
  188    HB2  ASN  27           HB2      ASN  27   1.718  -7.971  -4.875
  189    HB3  ASN  27           HB1      ASN  27   1.832  -8.830  -6.407
  190   HD21  ASN  27          HD21      ASN  27   0.362  -8.735  -3.258
  191   HD22  ASN  27          HD22      ASN  27  -0.855  -9.938  -3.580
  192    H    GLU  28           HN       GLU  28   3.970  -7.373  -4.102
  193    HA   GLU  28           HA       GLU  28   6.039  -7.306  -6.199
  194    HB2  GLU  28           HB2      GLU  28   4.302  -5.513  -6.226
  195    HB3  GLU  28           HB1      GLU  28   4.850  -4.996  -4.639
  196    HG2  GLU  28           HG2      GLU  28   5.758  -3.563  -6.329
  197    HG3  GLU  28           HG1      GLU  28   7.054  -4.499  -5.588
  198    H    HIS  29           HN       HIS  29   5.464  -7.371  -2.856
  199    HA   HIS  29           HA       HIS  29   6.722  -7.566  -1.044
  200    HB2  HIS  29           HB2      HIS  29   8.146  -9.028  -2.704
  201    HB3  HIS  29           HB1      HIS  29   9.316  -7.726  -2.467
  202    HD1  HIS  29           HD1      HIS  29   8.577  -7.159   0.537
  203    HD2  HIS  29           HD2      HIS  29   9.411 -10.898  -1.065
  204    HE1  HIS  29           HE1      HIS  29   9.091  -8.618   2.501
  205    HE2  HIS  29           HE2      HIS  29   9.867 -10.796   1.478
  206    H    LEU  30           HN       LEU  30   6.003  -5.124  -1.330
  207    HA   LEU  30           HA       LEU  30   8.295  -3.370  -1.407
  208    HB2  LEU  30           HB2      LEU  30   5.478  -2.652  -0.629
  209    HB3  LEU  30           HB1      LEU  30   6.778  -1.548  -1.026
  210    HG   LEU  30           HG       LEU  30   5.191  -3.309  -2.869
  211   HD11  LEU  30          HD11      LEU  30   4.846  -1.234  -4.068
  212   HD12  LEU  30          HD12      LEU  30   5.904  -0.386  -2.940
  213   HD13  LEU  30          HD13      LEU  30   4.365  -1.042  -2.377
  214   HD21  LEU  30          HD21      LEU  30   7.511  -3.700  -3.444
  215   HD22  LEU  30          HD22      LEU  30   7.815  -1.962  -3.481
  216   HD23  LEU  30          HD23      LEU  30   6.736  -2.696  -4.669
  217    H    LEU  31           HN       LEU  31   7.809  -1.522   0.587
  218    HA   LEU  31           HA       LEU  31   9.138  -3.116   2.629
  219    HB2  LEU  31           HB2      LEU  31   8.913  -0.126   2.512
  220    HB3  LEU  31           HB1      LEU  31  10.104  -1.080   3.381
  221    HG   LEU  31           HG       LEU  31   9.832  -0.742   0.412
  222   HD11  LEU  31          HD11      LEU  31  10.990   1.067   1.588
  223   HD12  LEU  31          HD12      LEU  31  12.098   0.151   0.568
  224   HD13  LEU  31          HD13      LEU  31  12.088  -0.109   2.310
  225   HD21  LEU  31          HD21      LEU  31  10.336  -3.046   0.784
  226   HD22  LEU  31          HD22      LEU  31  11.609  -2.633   1.935
  227   HD23  LEU  31          HD23      LEU  31  11.800  -2.233   0.228
  228    H    SER  32           HN       SER  32   6.627  -0.521   2.701
  229    HA   SER  32           HA       SER  32   5.813  -1.656   5.301
  230    HB2  SER  32           HB2      SER  32   5.927   0.941   4.644
  231    HB3  SER  32           HB1      SER  32   4.291   0.603   4.100
  232    HG   SER  32           HG       SER  32   5.290   0.029   6.700
  233    H    GLY  33           HN       GLY  33   4.872  -1.299   2.022
  234    HA2  GLY  33           HA2      GLY  33   3.583  -2.581   0.717
  235    HA3  GLY  33           HA1      GLY  33   3.671  -3.779   1.974
  236    H    ARG  34           HN       ARG  34   2.110  -0.882   3.014
  237    HA   ARG  34           HA       ARG  34  -0.291  -2.432   3.298
  238    HB2  ARG  34           HB2      ARG  34  -0.163   0.531   3.862
  239    HB3  ARG  34           HB1      ARG  34  -1.095  -0.731   4.667
  240    HG2  ARG  34           HG2      ARG  34   0.806  -1.545   5.819
  241    HG3  ARG  34           HG1      ARG  34   1.881  -0.486   4.897
  242    HD2  ARG  34           HD2      ARG  34   0.495   1.465   5.807
  243    HD3  ARG  34           HD1      ARG  34  -0.204   0.290   6.928
  244    HE   ARG  34           HE       ARG  34   2.670   0.959   6.823
  245   HH11  ARG  34          HH11      ARG  34  -0.164  -0.105   8.597
  246   HH12  ARG  34          HH12      ARG  34   0.605   0.035  10.145
  247   HH21  ARG  34          HH21      ARG  34   3.668   1.145   8.871
  248   HH22  ARG  34          HH22      ARG  34   2.771   0.739  10.300
  249    H    CYS  35           HN       CYS  35  -0.892  -2.799   1.009
  250    HA   CYS  35           HA       CYS  35  -1.931  -0.445  -0.365
  251    HB2  CYS  35           HB2      CYS  35  -0.702  -1.767  -1.854
  252    HB3  CYS  35           HB1      CYS  35  -1.429  -3.255  -1.261
  253    H    ARG  36           HN       ARG  36  -3.954   0.244  -0.010
  254    HA   ARG  36           HA       ARG  36  -6.134  -1.648  -0.358
  255    HB2  ARG  36           HB2      ARG  36  -5.492  -0.366   2.204
  256    HB3  ARG  36           HB1      ARG  36  -7.180  -0.316   1.742
  257    HG2  ARG  36           HG2      ARG  36  -7.229  -2.736   1.602
  258    HG3  ARG  36           HG1      ARG  36  -5.517  -2.820   2.004
  259    HD2  ARG  36           HD2      ARG  36  -6.393  -1.309   4.049
  260    HD3  ARG  36           HD1      ARG  36  -7.858  -2.207   3.683
  261    HE   ARG  36           HE       ARG  36  -6.124  -4.187   3.926
  262   HH11  ARG  36          HH11      ARG  36  -6.597  -1.348   5.910
  263   HH12  ARG  36          HH12      ARG  36  -6.247  -2.165   7.397
  264   HH21  ARG  36          HH21      ARG  36  -5.711  -5.291   5.914
  265   HH22  ARG  36          HH22      ARG  36  -5.744  -4.397   7.398
  266    H    ASP  37           HN       ASP  37  -8.298  -0.449  -0.373
  267    HA   ASP  37           HA       ASP  37  -7.945   2.194  -1.631
  268    HB2  ASP  37           HB2      ASP  37  -8.481   0.712  -3.393
  269    HB3  ASP  37           HB1      ASP  37  -9.705  -0.114  -2.435
  270    H    ASP  38           HN       ASP  38 -10.759   0.264  -0.567
  271    HA   ASP  38           HA       ASP  38 -12.250   2.449   0.355
  272    HB2  ASP  38           HB2      ASP  38 -13.200   0.187  -0.084
  273    HB3  ASP  38           HB1      ASP  38 -12.387  -0.406   1.363
  274    H    PHE  39           HN       PHE  39  -9.898   0.428   1.857
  275    HA   PHE  39           HA       PHE  39 -10.017   1.942   4.363
  276    HB2  PHE  39           HB2      PHE  39  -8.269  -0.443   3.932
  277    HB3  PHE  39           HB1      PHE  39  -9.028   0.114   5.413
  278    HD1  PHE  39           HD1      PHE  39  -9.358  -2.020   2.494
  279    HD2  PHE  39           HD2      PHE  39 -11.439  -0.282   5.789
  280    HE1  PHE  39           HE1      PHE  39 -11.189  -3.632   2.195
  281    HE2  PHE  39           HE2      PHE  39 -13.264  -1.900   5.488
  282    HZ   PHE  39           HZ       PHE  39 -13.141  -3.576   3.690
  283    H    ARG  40           HN       ARG  40  -7.685   2.354   5.276
  284    HA   ARG  40           HA       ARG  40  -6.133   3.406   3.000
  285    HB2  ARG  40           HB2      ARG  40  -5.472   5.247   4.668
  286    HB3  ARG  40           HB1      ARG  40  -7.097   5.309   4.000
  287    HG2  ARG  40           HG2      ARG  40  -8.004   4.348   6.022
  288    HG3  ARG  40           HG1      ARG  40  -6.384   4.155   6.690
  289    HD2  ARG  40           HD2      ARG  40  -7.472   6.830   5.871
  290    HD3  ARG  40           HD1      ARG  40  -7.751   6.157   7.474
  291    HE   ARG  40           HE       ARG  40  -5.012   6.044   6.987
  292   HH11  ARG  40          HH11      ARG  40  -7.509   8.459   7.381
  293   HH12  ARG  40          HH12      ARG  40  -6.433   9.656   8.031
  294   HH21  ARG  40          HH21      ARG  40  -3.589   7.603   7.884
  295   HH22  ARG  40          HH22      ARG  40  -4.203   9.166   8.317
  296    H    CYS  41           HN       CYS  41  -4.231   2.540   2.843
  297    HA   CYS  41           HA       CYS  41  -2.756   1.844   5.265
  298    HB2  CYS  41           HB2      CYS  41  -3.855   0.084   3.251
  299    HB3  CYS  41           HB1      CYS  41  -2.134  -0.166   3.464
  300    H    TRP  42           HN       TRP  42  -0.571   2.418   5.227
  301    HA   TRP  42           HA       TRP  42   0.494   3.836   2.928
  302    HB2  TRP  42           HB2      TRP  42   1.798   3.117   5.558
  303    HB3  TRP  42           HB1      TRP  42   2.517   4.145   4.336
  304    HD1  TRP  42           HD1      TRP  42  -0.038   4.155   7.141
  305    HE1  TRP  42           HE1      TRP  42  -0.687   6.590   7.661
  306    HE3  TRP  42           HE3      TRP  42   2.234   6.479   3.187
  307    HZ2  TRP  42           HZ2      TRP  42  -0.291   9.151   6.541
  308    HZ3  TRP  42           HZ3      TRP  42   2.046   8.907   2.982
  309    HH2  TRP  42           HH2      TRP  42   0.805  10.225   4.620
  310    H    CYS  43           HN       CYS  43   1.219   2.498   1.186
  311    HA   CYS  43           HA       CYS  43   3.042   0.322   1.956
  312    HB2  CYS  43           HB2      CYS  43   1.291  -0.217   0.271
  313    HB3  CYS  43           HB1      CYS  43   2.027   0.946  -0.833
  314    H    THR  44           HN       THR  44   5.065   0.724   2.116
  315    HA   THR  44           HA       THR  44   6.236   3.128   0.946
  316    HB   THR  44           HB       THR  44   7.492   1.272   2.968
  317    HG1  THR  44           HG1      THR  44   6.448   3.592   3.956
  318   HG21  THR  44          HG21      THR  44   8.007   4.129   2.176
  319   HG22  THR  44          HG22      THR  44   9.095   2.747   2.027
  320   HG23  THR  44          HG23      THR  44   8.682   3.375   3.620
  321    H    ASN  45           HN       ASN  45   7.852   3.097  -0.507
  322    HA   ASN  45           HA       ASN  45   9.600   0.828  -0.829
  323    HB2  ASN  45           HB2      ASN  45   7.592   0.282  -2.267
  324    HB3  ASN  45           HB1      ASN  45   7.967   1.712  -3.221
  325   HD21  ASN  45          HD21      ASN  45   9.158  -1.426  -2.205
  326   HD22  ASN  45          HD22      ASN  45  10.218  -1.669  -3.550
  327    H    ARG  46           HN       ARG  46  10.978   1.540  -3.072
  328    HA   ARG  46           HA       ARG  46  11.946   4.181  -2.262
  329    HB2  ARG  46           HB2      ARG  46  13.335   2.186  -4.057
  330    HB3  ARG  46           HB1      ARG  46  14.028   3.621  -3.332
  331    HG2  ARG  46           HG2      ARG  46  14.851   2.117  -1.886
  332    HG3  ARG  46           HG1      ARG  46  13.287   2.376  -1.111
  333    HD2  ARG  46           HD2      ARG  46  12.385   0.423  -2.201
  334    HD3  ARG  46           HD1      ARG  46  13.889   0.181  -3.084
  335    HE   ARG  46           HE       ARG  46  14.393   0.231  -0.308
  336   HH11  ARG  46          HH11      ARG  46  13.014  -1.839  -2.772
  337   HH12  ARG  46          HH12      ARG  46  13.393  -3.301  -1.924
  338   HH21  ARG  46          HH21      ARG  46  14.908  -1.676   0.788
  339   HH22  ARG  46          HH22      ARG  46  14.476  -3.211   0.104
  340    H    CYS  47           HN       CYS  47  11.755   5.905  -3.554
  341    HA   CYS  47           HA       CYS  47  10.795   5.433  -6.293
  342    HB2  CYS  47           HB2      CYS  47   9.584   7.524  -6.185
  343    HB3  CYS  47           HB1      CYS  47   9.129   6.535  -4.806
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1  12.106   6.678   7.838
    2    H2   LYS   1           HT2      LYS   1  11.696   7.709   6.562
    3    H3   LYS   1           HT3      LYS   1  13.266   7.095   6.681
    4    HA   LYS   1           HA       LYS   1  12.515   4.887   6.269
    5    HB2  LYS   1           HB2      LYS   1  10.105   4.567   5.584
    6    HB3  LYS   1           HB1      LYS   1  10.375   4.860   7.294
    7    HG2  LYS   1           HG2      LYS   1   9.801   7.253   6.888
    8    HG3  LYS   1           HG1      LYS   1   9.346   6.805   5.247
    9    HD2  LYS   1           HD2      LYS   1   7.552   5.493   5.975
   10    HD3  LYS   1           HD1      LYS   1   8.181   5.389   7.621
   11    HE2  LYS   1           HE2      LYS   1   6.361   6.876   7.738
   12    HE3  LYS   1           HE1      LYS   1   7.799   7.892   7.772
   13    HZ1  LYS   1           HZ1      LYS   1   5.956   7.428   5.500
   14    HZ2  LYS   1           HZ2      LYS   1   7.465   8.177   5.322
   15    HZ3  LYS   1           HZ3      LYS   1   6.282   8.889   6.293
   16    H    THR   2           HN       THR   2  10.948   4.407   4.066
   17    HA   THR   2           HA       THR   2  12.418   5.916   2.045
   18    HB   THR   2           HB       THR   2  11.347   3.926   0.668
   19    HG1  THR   2           HG1      THR   2  11.962   2.343   2.783
   20   HG21  THR   2          HG21      THR   2  13.459   2.709   1.026
   21   HG22  THR   2          HG22      THR   2  13.796   3.750   2.413
   22   HG23  THR   2          HG23      THR   2  13.716   4.437   0.789
   23    H    CYS   3           HN       CYS   3  11.067   5.865  -0.148
   24    HA   CYS   3           HA       CYS   3   9.142   7.864   0.175
   25    HB2  CYS   3           HB2      CYS   3   9.372   5.981  -2.179
   26    HB3  CYS   3           HB1      CYS   3   8.729   7.623  -2.184
   27    H    GLU   4           HN       GLU   4   7.204   7.690   1.050
   28    HA   GLU   4           HA       GLU   4   5.770   5.136   0.799
   29    HB2  GLU   4           HB2      GLU   4   6.772   5.274   3.022
   30    HB3  GLU   4           HB1      GLU   4   6.070   6.864   3.263
   31    HG2  GLU   4           HG2      GLU   4   3.804   5.771   3.029
   32    HG3  GLU   4           HG1      GLU   4   4.643   4.213   3.129
   33    H    ASN   5           HN       ASN   5   3.667   5.290   0.312
   34    HA   ASN   5           HA       ASN   5   2.380   7.885   0.746
   35    HB2  ASN   5           HB2      ASN   5   1.389   7.978  -1.359
   36    HB3  ASN   5           HB1      ASN   5   3.008   7.425  -1.717
   37   HD21  ASN   5          HD21      ASN   5  -0.332   6.529  -1.454
   38   HD22  ASN   5          HD22      ASN   5  -0.228   5.082  -2.406
   39    H    LEU   6           HN       LEU   6   0.112   7.744   0.958
   40    HA   LEU   6           HA       LEU   6  -0.648   5.249   2.230
   41    HB2  LEU   6           HB2      LEU   6  -1.072   7.799   3.003
   42    HB3  LEU   6           HB1      LEU   6  -2.568   7.490   2.142
   43    HG   LEU   6           HG       LEU   6  -1.503   5.915   4.518
   44   HD11  LEU   6          HD11      LEU   6  -2.457   8.082   5.108
   45   HD12  LEU   6          HD12      LEU   6  -3.525   6.774   5.614
   46   HD13  LEU   6          HD13      LEU   6  -3.909   7.717   4.176
   47   HD21  LEU   6          HD21      LEU   6  -3.835   5.464   2.692
   48   HD22  LEU   6          HD22      LEU   6  -3.795   4.856   4.348
   49   HD23  LEU   6          HD23      LEU   6  -2.569   4.331   3.190
   50    H    SER   7           HN       SER   7  -1.685   3.786   1.175
   51    HA   SER   7           HA       SER   7  -2.949   4.373  -1.361
   52    HB2  SER   7           HB2      SER   7  -2.487   1.733   0.048
   53    HB3  SER   7           HB1      SER   7  -2.967   1.959  -1.628
   54    HG   SER   7           HG       SER   7  -0.968   2.967  -2.010
   55    H    GLY   8           HN       GLY   8  -5.030   4.852  -1.396
   56    HA2  GLY   8           HA2      GLY   8  -7.072   3.252  -0.429
   57    HA3  GLY   8           HA1      GLY   8  -6.785   4.468   0.807
   58    H    THR   9           HN       THR   9  -6.233   6.680  -0.596
   59    HA   THR   9           HA       THR   9  -8.028   7.275  -2.685
   60    HB   THR   9           HB       THR   9  -9.796   6.949  -1.056
   61    HG1  THR   9           HG1      THR   9 -10.234   8.663  -2.392
   62   HG21  THR   9          HG21      THR   9  -8.366   8.972   0.671
   63   HG22  THR   9          HG22      THR   9  -8.484   7.243   0.992
   64   HG23  THR   9          HG23      THR   9  -9.936   8.245   1.013
   65    H    PHE  10           HN       PHE  10  -6.688   8.628   0.295
   66    HA   PHE  10           HA       PHE  10  -5.753  11.053  -0.863
   67    HB2  PHE  10           HB2      PHE  10  -6.164  10.380   1.632
   68    HB3  PHE  10           HB1      PHE  10  -4.558   9.673   1.541
   69    HD1  PHE  10           HD1      PHE  10  -2.789  10.946   2.205
   70    HD2  PHE  10           HD2      PHE  10  -6.299  12.882   0.785
   71    HE1  PHE  10           HE1      PHE  10  -1.820  13.134   2.791
   72    HE2  PHE  10           HE2      PHE  10  -5.330  15.070   1.357
   73    HZ   PHE  10           HZ       PHE  10  -3.089  15.198   2.362
   74    H    LYS  11           HN       LYS  11  -3.734  11.417  -1.834
   75    HA   LYS  11           HA       LYS  11  -1.911  10.889  -3.083
   76    HB2  LYS  11           HB2      LYS  11  -1.776   8.488  -1.293
   77    HB3  LYS  11           HB1      LYS  11  -0.658   8.722  -2.622
   78    HG2  LYS  11           HG2      LYS  11   0.467   9.465  -0.714
   79    HG3  LYS  11           HG1      LYS  11  -0.058  10.925  -1.541
   80    HD2  LYS  11           HD2      LYS  11  -1.873  11.211  -0.010
   81    HD3  LYS  11           HD1      LYS  11  -1.549   9.649   0.745
   82    HE2  LYS  11           HE2      LYS  11  -0.682  11.488   2.106
   83    HE3  LYS  11           HE1      LYS  11   0.628  10.474   1.507
   84    HZ1  LYS  11           HZ1      LYS  11  -0.208  13.043   0.273
   85    HZ2  LYS  11           HZ2      LYS  11   1.117  12.095  -0.176
   86    HZ3  LYS  11           HZ3      LYS  11   1.099  12.864   1.327
   87    H    GLY  12           HN       GLY  12  -3.051   7.683  -2.563
   88    HA2  GLY  12           HA2      GLY  12  -4.449   7.506  -5.058
   89    HA3  GLY  12           HA1      GLY  12  -2.889   6.695  -5.107
   90    HA   PRO  13           HA       PRO  13  -5.987   3.894  -2.953
   91    HB2  PRO  13           HB2      PRO  13  -7.191   2.783  -5.244
   92    HB3  PRO  13           HB1      PRO  13  -7.912   3.951  -4.139
   93    HG2  PRO  13           HG2      PRO  13  -7.263   4.408  -6.821
   94    HG3  PRO  13           HG1      PRO  13  -7.632   5.650  -5.613
   95    HD2  PRO  13           HD2      PRO  13  -4.980   4.685  -6.594
   96    HD3  PRO  13           HD1      PRO  13  -5.491   6.324  -6.138
   97    H    CYS  14           HN       CYS  14  -6.499   1.381  -3.828
   98    HA   CYS  14           HA       CYS  14  -4.351   0.232  -5.316
   99    HB2  CYS  14           HB2      CYS  14  -3.467   0.720  -2.907
  100    HB3  CYS  14           HB1      CYS  14  -4.415  -0.691  -2.461
  101    H    ILE  15           HN       ILE  15  -6.191  -1.190  -2.581
  102    HA   ILE  15           HA       ILE  15  -7.940  -2.608  -4.438
  103    HB   ILE  15           HB       ILE  15  -7.469  -4.799  -3.360
  104   HG12  ILE  15          HG12      ILE  15  -4.957  -3.457  -2.349
  105   HG13  ILE  15          HG11      ILE  15  -6.371  -3.773  -1.347
  106   HG21  ILE  15          HG21      ILE  15  -6.568  -4.317  -5.562
  107   HG22  ILE  15          HG22      ILE  15  -5.427  -5.287  -4.629
  108   HG23  ILE  15          HG23      ILE  15  -5.153  -3.556  -4.835
  109   HD11  ILE  15          HD11      ILE  15  -4.638  -5.449  -1.051
  110   HD12  ILE  15          HD12      ILE  15  -4.745  -5.857  -2.765
  111   HD13  ILE  15          HD13      ILE  15  -6.121  -6.143  -1.701
  112    HA   PRO  16           HA       PRO  16 -10.502  -1.830  -0.919
  113    HB2  PRO  16           HB2      PRO  16 -12.851  -2.640  -1.987
  114    HB3  PRO  16           HB1      PRO  16 -12.024  -1.165  -2.490
  115    HG2  PRO  16           HG2      PRO  16 -12.345  -3.709  -3.923
  116    HG3  PRO  16           HG1      PRO  16 -11.964  -2.103  -4.558
  117    HD2  PRO  16           HD2      PRO  16 -10.167  -4.287  -4.029
  118    HD3  PRO  16           HD1      PRO  16  -9.790  -2.697  -4.710
  119    H    ASP  17           HN       ASP  17  -9.073  -4.194  -0.454
  120    HA   ASP  17           HA       ASP  17 -11.185  -6.043   0.457
  121    HB2  ASP  17           HB2      ASP  17  -8.351  -6.582  -0.384
  122    HB3  ASP  17           HB1      ASP  17  -9.303  -7.758   0.515
  123    H    GLY  18           HN       GLY  18  -8.542  -4.072   1.499
  124    HA2  GLY  18           HA2      GLY  18  -8.299  -3.339   3.724
  125    HA3  GLY  18           HA1      GLY  18  -9.256  -4.703   4.258
  126    H    ASN  19           HN       ASN  19  -7.185  -6.051   2.258
  127    HA   ASN  19           HA       ASN  19  -5.393  -6.870   4.398
  128    HB2  ASN  19           HB2      ASN  19  -4.709  -8.550   2.513
  129    HB3  ASN  19           HB1      ASN  19  -6.244  -8.756   3.342
  130   HD21  ASN  19          HD21      ASN  19  -5.665  -6.250   0.979
  131   HD22  ASN  19          HD22      ASN  19  -6.752  -6.862  -0.210
  132    H    CYS  20           HN       CYS  20  -4.582  -4.527   4.049
  133    HA   CYS  20           HA       CYS  20  -3.340  -3.796   1.708
  134    HB2  CYS  20           HB2      CYS  20  -2.325  -1.982   3.031
  135    HB3  CYS  20           HB1      CYS  20  -4.052  -2.126   3.249
  136    H    ASN  21           HN       ASN  21  -1.820  -5.015   4.698
  137    HA   ASN  21           HA       ASN  21   0.805  -4.726   3.739
  138    HB2  ASN  21           HB2      ASN  21  -0.393  -6.401   5.922
  139    HB3  ASN  21           HB1      ASN  21   1.312  -6.541   5.523
  140   HD21  ASN  21          HD21      ASN  21   1.471  -3.700   4.808
  141   HD22  ASN  21          HD22      ASN  21   1.484  -2.870   6.320
  142    H    LYS  22           HN       LYS  22  -1.088  -7.744   3.989
  143    HA   LYS  22           HA       LYS  22   0.872  -9.360   2.927
  144    HB2  LYS  22           HB2      LYS  22  -0.779 -11.024   2.726
  145    HB3  LYS  22           HB1      LYS  22  -1.271 -10.041   4.088
  146    HG2  LYS  22           HG2      LYS  22  -2.858  -8.861   2.616
  147    HG3  LYS  22           HG1      LYS  22  -2.397  -9.938   1.303
  148    HD2  LYS  22           HD2      LYS  22  -4.422 -10.755   2.282
  149    HD3  LYS  22           HD1      LYS  22  -3.111 -11.861   2.687
  150    HE2  LYS  22           HE2      LYS  22  -2.937 -10.862   4.903
  151    HE3  LYS  22           HE1      LYS  22  -4.210  -9.713   4.497
  152    HZ1  LYS  22           HZ1      LYS  22  -4.496 -12.660   4.702
  153    HZ2  LYS  22           HZ2      LYS  22  -5.722 -11.607   4.205
  154    HZ3  LYS  22           HZ3      LYS  22  -5.115 -11.511   5.778
  155    H    HIS  23           HN       HIS  23  -1.483  -7.349   1.223
  156    HA   HIS  23           HA       HIS  23  -1.097  -8.654  -1.271
  157    HB2  HIS  23           HB2      HIS  23  -3.087  -7.208  -0.683
  158    HB3  HIS  23           HB1      HIS  23  -2.041  -5.813  -0.945
  159    HD1  HIS  23           HD1      HIS  23  -1.783  -5.022  -3.326
  160    HD2  HIS  23           HD2      HIS  23  -3.453  -8.822  -3.073
  161    HE1  HIS  23           HE1      HIS  23  -2.502  -5.605  -5.662
  162    HE2  HIS  23           HE2      HIS  23  -3.614  -7.854  -5.464
  163    H    CYS  24           HN       CYS  24   0.049  -5.458  -0.104
  164    HA   CYS  24           HA       CYS  24   1.603  -4.837  -2.354
  165    HB2  CYS  24           HB2      CYS  24   1.188  -3.687   0.208
  166    HB3  CYS  24           HB1      CYS  24   2.894  -3.958   0.056
  167    H    ARG  25           HN       ARG  25   2.196  -6.902   0.370
  168    HA   ARG  25           HA       ARG  25   5.051  -6.994  -0.088
  169    HB2  ARG  25           HB2      ARG  25   3.338  -8.412   1.943
  170    HB3  ARG  25           HB1      ARG  25   5.090  -8.352   1.936
  171    HG2  ARG  25           HG2      ARG  25   3.317  -5.947   2.118
  172    HG3  ARG  25           HG1      ARG  25   4.041  -6.759   3.511
  173    HD2  ARG  25           HD2      ARG  25   5.921  -6.093   1.373
  174    HD3  ARG  25           HD1      ARG  25   5.183  -4.683   2.137
  175    HE   ARG  25           HE       ARG  25   6.035  -5.495   4.264
  176   HH11  ARG  25          HH11      ARG  25   7.441  -6.950   1.404
  177   HH12  ARG  25          HH12      ARG  25   8.858  -7.497   2.233
  178   HH21  ARG  25          HH21      ARG  25   7.908  -6.204   5.337
  179   HH22  ARG  25          HH22      ARG  25   9.129  -7.067   4.458
  180    H    ASN  26           HN       ASN  26   2.256  -8.965  -0.768
  181    HA   ASN  26           HA       ASN  26   3.905 -11.322  -1.237
  182    HB2  ASN  26           HB2      ASN  26   0.962 -10.799  -1.303
  183    HB3  ASN  26           HB1      ASN  26   1.601 -12.193  -2.158
  184   HD21  ASN  26          HD21      ASN  26   3.084 -11.005   0.737
  185   HD22  ASN  26          HD22      ASN  26   2.617 -12.318   1.753
  186    H    ASN  27           HN       ASN  27   1.946  -9.092  -3.175
  187    HA   ASN  27           HA       ASN  27   2.720 -10.502  -5.584
  188    HB2  ASN  27           HB2      ASN  27   1.039  -9.383  -6.685
  189    HB3  ASN  27           HB1      ASN  27   0.413  -9.349  -5.046
  190   HD21  ASN  27          HD21      ASN  27   0.691  -7.385  -3.812
  191   HD22  ASN  27          HD22      ASN  27   0.764  -5.867  -4.660
  192    H    GLU  28           HN       GLU  28   3.427  -7.390  -4.045
  193    HA   GLU  28           HA       GLU  28   5.264  -6.834  -6.273
  194    HB2  GLU  28           HB2      GLU  28   3.343  -5.228  -5.711
  195    HB3  GLU  28           HB1      GLU  28   4.266  -4.809  -4.280
  196    HG2  GLU  28           HG2      GLU  28   4.692  -3.192  -5.978
  197    HG3  GLU  28           HG1      GLU  28   6.147  -4.158  -5.740
  198    H    HIS  29           HN       HIS  29   5.014  -7.330  -2.860
  199    HA   HIS  29           HA       HIS  29   6.526  -7.692  -1.241
  200    HB2  HIS  29           HB2      HIS  29   7.508  -9.166  -3.074
  201    HB3  HIS  29           HB1      HIS  29   8.637  -7.857  -3.398
  202    HD1  HIS  29           HD1      HIS  29   7.683 -10.274  -0.639
  203    HD2  HIS  29           HD2      HIS  29  10.837  -7.806  -1.765
  204    HE1  HIS  29           HE1      HIS  29   9.554 -10.796   0.954
  205    HE2  HIS  29           HE2      HIS  29  11.503  -9.416   0.146
  206    H    LEU  30           HN       LEU  30   5.850  -5.119  -1.526
  207    HA   LEU  30           HA       LEU  30   8.162  -3.451  -1.857
  208    HB2  LEU  30           HB2      LEU  30   5.466  -2.724  -0.715
  209    HB3  LEU  30           HB1      LEU  30   6.736  -1.600  -1.158
  210    HG   LEU  30           HG       LEU  30   4.993  -3.252  -2.962
  211   HD11  LEU  30          HD11      LEU  30   4.176  -1.047  -2.273
  212   HD12  LEU  30          HD12      LEU  30   4.537  -1.107  -4.001
  213   HD13  LEU  30          HD13      LEU  30   5.658  -0.316  -2.895
  214   HD21  LEU  30          HD21      LEU  30   7.217  -3.593  -3.799
  215   HD22  LEU  30          HD22      LEU  30   7.569  -1.870  -3.677
  216   HD23  LEU  30          HD23      LEU  30   6.378  -2.446  -4.841
  217    H    LEU  31           HN       LEU  31   7.804  -1.593   0.257
  218    HA   LEU  31           HA       LEU  31   9.503  -3.060   2.098
  219    HB2  LEU  31           HB2      LEU  31   8.925  -0.115   2.113
  220    HB3  LEU  31           HB1      LEU  31  10.320  -0.947   2.784
  221    HG   LEU  31           HG       LEU  31   9.643  -0.651  -0.130
  222   HD11  LEU  31          HD11      LEU  31  11.885   0.488   1.525
  223   HD12  LEU  31          HD12      LEU  31  10.519   1.381   0.862
  224   HD13  LEU  31          HD13      LEU  31  11.711   0.659  -0.220
  225   HD21  LEU  31          HD21      LEU  31  10.620  -2.801   0.199
  226   HD22  LEU  31          HD22      LEU  31  11.902  -2.121   1.203
  227   HD23  LEU  31          HD23      LEU  31  11.832  -1.738  -0.517
  228    H    SER  32           HN       SER  32   6.585  -1.004   2.321
  229    HA   SER  32           HA       SER  32   6.344  -1.936   5.137
  230    HB2  SER  32           HB2      SER  32   5.465   0.571   3.745
  231    HB3  SER  32           HB1      SER  32   4.640   0.019   5.188
  232    HG   SER  32           HG       SER  32   6.585   1.534   5.293
  233    H    GLY  33           HN       GLY  33   4.826  -1.441   2.146
  234    HA2  GLY  33           HA2      GLY  33   3.382  -2.683   0.998
  235    HA3  GLY  33           HA1      GLY  33   3.583  -3.952   2.184
  236    H    ARG  34           HN       ARG  34   2.269  -0.762   2.977
  237    HA   ARG  34           HA       ARG  34  -0.165  -2.083   3.804
  238    HB2  ARG  34           HB2      ARG  34   1.330   0.310   4.300
  239    HB3  ARG  34           HB1      ARG  34  -0.340   0.751   4.028
  240    HG2  ARG  34           HG2      ARG  34  -1.012  -0.699   5.869
  241    HG3  ARG  34           HG1      ARG  34   0.656  -1.250   6.063
  242    HD2  ARG  34           HD2      ARG  34   1.341   1.070   6.533
  243    HD3  ARG  34           HD1      ARG  34  -0.347   1.594   6.414
  244    HE   ARG  34           HE       ARG  34  -0.669  -0.100   8.325
  245   HH11  ARG  34          HH11      ARG  34   2.251   1.789   7.845
  246   HH12  ARG  34          HH12      ARG  34   2.683   1.772   9.521
  247   HH21  ARG  34          HH21      ARG  34  -0.095  -0.113  10.530
  248   HH22  ARG  34          HH22      ARG  34   1.347   0.700  11.051
  249    H    CYS  35           HN       CYS  35  -0.705  -2.760   1.445
  250    HA   CYS  35           HA       CYS  35  -1.770  -0.547  -0.135
  251    HB2  CYS  35           HB2      CYS  35  -0.547  -1.722  -1.641
  252    HB3  CYS  35           HB1      CYS  35  -0.817  -3.251  -0.815
  253    H    ARG  36           HN       ARG  36  -3.850   0.059   0.227
  254    HA   ARG  36           HA       ARG  36  -5.756  -1.841  -0.749
  255    HB2  ARG  36           HB2      ARG  36  -7.411  -1.385   1.146
  256    HB3  ARG  36           HB1      ARG  36  -6.151  -2.566   1.413
  257    HG2  ARG  36           HG2      ARG  36  -4.879  -0.656   2.541
  258    HG3  ARG  36           HG1      ARG  36  -6.433   0.176   2.556
  259    HD2  ARG  36           HD2      ARG  36  -7.394  -1.879   3.627
  260    HD3  ARG  36           HD1      ARG  36  -5.761  -2.479   3.837
  261    HE   ARG  36           HE       ARG  36  -6.100   0.152   4.913
  262   HH11  ARG  36          HH11      ARG  36  -6.598  -3.254   5.651
  263   HH12  ARG  36          HH12      ARG  36  -6.691  -2.980   7.360
  264   HH21  ARG  36          HH21      ARG  36  -6.239   0.473   7.168
  265   HH22  ARG  36          HH22      ARG  36  -6.490  -0.888   8.215
  266    H    ASP  37           HN       ASP  37  -8.103  -0.708  -0.501
  267    HA   ASP  37           HA       ASP  37  -7.742   1.943  -1.733
  268    HB2  ASP  37           HB2      ASP  37  -8.176   0.432  -3.511
  269    HB3  ASP  37           HB1      ASP  37  -9.449  -0.378  -2.608
  270    H    ASP  38           HN       ASP  38 -10.595   0.011  -0.883
  271    HA   ASP  38           HA       ASP  38 -12.143   2.151  -0.022
  272    HB2  ASP  38           HB2      ASP  38 -13.089  -0.027  -0.551
  273    HB3  ASP  38           HB1      ASP  38 -12.262  -0.743   0.829
  274    H    PHE  39           HN       PHE  39  -9.888   0.123   1.716
  275    HA   PHE  39           HA       PHE  39 -10.102   1.914   4.038
  276    HB2  PHE  39           HB2      PHE  39  -8.523  -0.639   3.946
  277    HB3  PHE  39           HB1      PHE  39  -9.130   0.208   5.354
  278    HD1  PHE  39           HD1      PHE  39 -11.521   0.094   5.925
  279    HD2  PHE  39           HD2      PHE  39  -9.847  -2.266   2.781
  280    HE1  PHE  39           HE1      PHE  39 -13.499  -1.362   5.968
  281    HE2  PHE  39           HE2      PHE  39 -11.835  -3.713   2.826
  282    HZ   PHE  39           HZ       PHE  39 -13.660  -3.267   4.419
  283    H    ARG  40           HN       ARG  40  -7.796   2.416   4.983
  284    HA   ARG  40           HA       ARG  40  -6.091   2.960   2.648
  285    HB2  ARG  40           HB2      ARG  40  -5.603   5.183   3.586
  286    HB3  ARG  40           HB1      ARG  40  -7.308   4.978   3.227
  287    HG2  ARG  40           HG2      ARG  40  -7.758   4.569   5.595
  288    HG3  ARG  40           HG1      ARG  40  -6.044   4.784   5.952
  289    HD2  ARG  40           HD2      ARG  40  -6.189   7.079   5.030
  290    HD3  ARG  40           HD1      ARG  40  -7.924   6.849   4.817
  291    HE   ARG  40           HE       ARG  40  -6.990   6.377   7.502
  292   HH11  ARG  40          HH11      ARG  40  -8.236   8.735   5.236
  293   HH12  ARG  40          HH12      ARG  40  -8.734   9.847   6.469
  294   HH21  ARG  40          HH21      ARG  40  -7.655   7.848   9.139
  295   HH22  ARG  40          HH22      ARG  40  -8.410   9.342   8.683
  296    H    CYS  41           HN       CYS  41  -4.128   2.285   2.794
  297    HA   CYS  41           HA       CYS  41  -2.801   2.058   5.410
  298    HB2  CYS  41           HB2      CYS  41  -3.464  -0.015   3.456
  299    HB3  CYS  41           HB1      CYS  41  -1.800  -0.064   3.964
  300    H    TRP  42           HN       TRP  42  -0.561   2.718   5.387
  301    HA   TRP  42           HA       TRP  42   0.456   4.055   3.033
  302    HB2  TRP  42           HB2      TRP  42   1.753   3.480   5.697
  303    HB3  TRP  42           HB1      TRP  42   2.467   4.474   4.443
  304    HD1  TRP  42           HD1      TRP  42  -0.166   4.530   7.181
  305    HE1  TRP  42           HE1      TRP  42  -0.915   6.961   7.564
  306    HE3  TRP  42           HE3      TRP  42   2.179   6.741   3.217
  307    HZ2  TRP  42           HZ2      TRP  42  -0.560   9.475   6.345
  308    HZ3  TRP  42           HZ3      TRP  42   1.929   9.154   2.897
  309    HH2  TRP  42           HH2      TRP  42   0.586  10.502   4.428
  310    H    CYS  43           HN       CYS  43   1.158   2.619   1.320
  311    HA   CYS  43           HA       CYS  43   3.033   0.523   2.159
  312    HB2  CYS  43           HB2      CYS  43   1.281  -0.067   0.447
  313    HB3  CYS  43           HB1      CYS  43   2.116   0.993  -0.689
  314    H    THR  44           HN       THR  44   5.108   0.760   2.109
  315    HA   THR  44           HA       THR  44   6.225   3.222   1.007
  316    HB   THR  44           HB       THR  44   7.606   1.333   2.914
  317    HG1  THR  44           HG1      THR  44   6.270   3.658   3.791
  318   HG21  THR  44          HG21      THR  44   8.018   4.168   2.054
  319   HG22  THR  44          HG22      THR  44   9.162   2.828   2.059
  320   HG23  THR  44          HG23      THR  44   8.663   3.567   3.580
  321    H    ASN  45           HN       ASN  45   7.870   3.245  -0.403
  322    HA   ASN  45           HA       ASN  45   9.391   0.885  -1.078
  323    HB2  ASN  45           HB2      ASN  45   7.290   0.786  -2.492
  324    HB3  ASN  45           HB1      ASN  45   7.803   2.294  -3.238
  325   HD21  ASN  45          HD21      ASN  45   8.713  -1.060  -2.718
  326   HD22  ASN  45          HD22      ASN  45   9.661  -1.218  -4.157
  327    H    ARG  46           HN       ARG  46  10.606   1.966  -3.421
  328    HA   ARG  46           HA       ARG  46  11.825   4.371  -2.245
  329    HB2  ARG  46           HB2      ARG  46  13.054   2.546  -4.317
  330    HB3  ARG  46           HB1      ARG  46  13.840   3.875  -3.483
  331    HG2  ARG  46           HG2      ARG  46  14.648   2.242  -2.176
  332    HG3  ARG  46           HG1      ARG  46  13.077   2.373  -1.379
  333    HD2  ARG  46           HD2      ARG  46  12.202   0.595  -2.773
  334    HD3  ARG  46           HD1      ARG  46  13.737   0.478  -3.624
  335    HE   ARG  46           HE       ARG  46  13.818   0.057  -0.747
  336   HH11  ARG  46          HH11      ARG  46  13.736  -1.327  -3.956
  337   HH12  ARG  46          HH12      ARG  46  14.274  -2.894  -3.440
  338   HH21  ARG  46          HH21      ARG  46  14.543  -2.010  -0.053
  339   HH22  ARG  46          HH22      ARG  46  14.761  -3.274  -1.222
  340    H    CYS  47           HN       CYS  47  12.547   6.019  -3.778
  341    HA   CYS  47           HA       CYS  47  11.202   6.022  -6.351
  342    HB2  CYS  47           HB2      CYS  47  10.104   8.159  -5.981
  343    HB3  CYS  47           HB1      CYS  47   9.557   6.997  -4.781
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1  12.400   7.769   5.680
    2    H2   LYS   1           HT2      LYS   1  13.506   6.504   5.850
    3    H3   LYS   1           HT3      LYS   1  12.223   6.658   6.941
    4    HA   LYS   1           HA       LYS   1  11.847   4.890   5.334
    5    HB2  LYS   1           HB2      LYS   1  10.068   7.291   5.435
    6    HB3  LYS   1           HB1      LYS   1   9.649   5.950   4.381
    7    HG2  LYS   1           HG2      LYS   1   9.698   4.445   6.334
    8    HG3  LYS   1           HG1      LYS   1  10.014   5.843   7.365
    9    HD2  LYS   1           HD2      LYS   1   7.916   6.835   6.768
   10    HD3  LYS   1           HD1      LYS   1   7.618   5.594   5.549
   11    HE2  LYS   1           HE2      LYS   1   6.299   5.121   7.506
   12    HE3  LYS   1           HE1      LYS   1   7.562   3.902   7.352
   13    HZ1  LYS   1           HZ1      LYS   1   7.320   4.649   9.629
   14    HZ2  LYS   1           HZ2      LYS   1   7.637   6.247   9.171
   15    HZ3  LYS   1           HZ3      LYS   1   8.845   5.072   9.030
   16    H    THR   2           HN       THR   2  11.013   4.472   3.162
   17    HA   THR   2           HA       THR   2  12.270   6.127   1.108
   18    HB   THR   2           HB       THR   2  11.979   4.262  -0.415
   19    HG1  THR   2           HG1      THR   2  10.217   3.191   0.212
   20   HG21  THR   2          HG21      THR   2  13.204   3.390   2.204
   21   HG22  THR   2          HG22      THR   2  14.017   4.303   0.932
   22   HG23  THR   2          HG23      THR   2  13.498   2.646   0.632
   23    H    CYS   3           HN       CYS   3  10.766   5.788  -1.027
   24    HA   CYS   3           HA       CYS   3   8.747   7.656  -0.749
   25    HB2  CYS   3           HB2      CYS   3   8.722   5.463  -2.825
   26    HB3  CYS   3           HB1      CYS   3   8.086   7.099  -2.976
   27    H    GLU   4           HN       GLU   4   6.938   7.536   0.390
   28    HA   GLU   4           HA       GLU   4   5.498   4.977   0.519
   29    HB2  GLU   4           HB2      GLU   4   6.677   5.199   2.610
   30    HB3  GLU   4           HB1      GLU   4   6.155   6.863   2.789
   31    HG2  GLU   4           HG2      GLU   4   3.786   5.959   2.875
   32    HG3  GLU   4           HG1      GLU   4   4.511   4.357   3.065
   33    H    ASN   5           HN       ASN   5   3.306   5.122   0.383
   34    HA   ASN   5           HA       ASN   5   2.100   7.755   0.768
   35    HB2  ASN   5           HB2      ASN   5   2.493   7.100  -1.750
   36    HB3  ASN   5           HB1      ASN   5   1.076   6.102  -1.468
   37   HD21  ASN   5          HD21      ASN   5  -0.884   7.107  -0.820
   38   HD22  ASN   5          HD22      ASN   5  -1.170   8.757  -1.234
   39    H    LEU   6           HN       LEU   6  -0.039   7.704   1.223
   40    HA   LEU   6           HA       LEU   6  -0.982   5.205   2.410
   41    HB2  LEU   6           HB2      LEU   6  -0.990   7.666   3.488
   42    HB3  LEU   6           HB1      LEU   6  -2.563   7.705   2.704
   43    HG   LEU   6           HG       LEU   6  -1.603   5.801   4.875
   44   HD11  LEU   6          HD11      LEU   6  -3.546   6.676   6.070
   45   HD12  LEU   6          HD12      LEU   6  -3.922   7.730   4.709
   46   HD13  LEU   6          HD13      LEU   6  -2.433   7.967   5.622
   47   HD21  LEU   6          HD21      LEU   6  -4.017   5.590   3.104
   48   HD22  LEU   6          HD22      LEU   6  -3.892   4.818   4.686
   49   HD23  LEU   6          HD23      LEU   6  -2.753   4.385   3.409
   50    H    SER   7           HN       SER   7  -2.234   3.996   1.211
   51    HA   SER   7           HA       SER   7  -3.343   5.099  -1.220
   52    HB2  SER   7           HB2      SER   7  -3.293   2.242  -0.238
   53    HB3  SER   7           HB1      SER   7  -3.620   2.794  -1.877
   54    HG   SER   7           HG       SER   7  -1.259   3.739  -0.883
   55    H    GLY   8           HN       GLY   8  -5.455   5.245  -1.715
   56    HA2  GLY   8           HA2      GLY   8  -7.666   4.081  -1.327
   57    HA3  GLY   8           HA1      GLY   8  -7.397   4.473   0.369
   58    H    THR   9           HN       THR   9  -8.804   6.010   0.893
   59    HA   THR   9           HA       THR   9  -9.858   7.918  -0.884
   60    HB   THR   9           HB       THR   9 -10.995   7.299   1.214
   61    HG1  THR   9           HG1      THR   9 -11.674   9.244   0.427
   62   HG21  THR   9          HG21      THR   9 -10.234   8.273   3.347
   63   HG22  THR   9          HG22      THR   9  -8.771   8.851   2.543
   64   HG23  THR   9          HG23      THR   9  -9.073   7.118   2.691
   65    H    PHE  10           HN       PHE  10  -6.887   7.811   0.866
   66    HA   PHE  10           HA       PHE  10  -6.459  10.676   0.671
   67    HB2  PHE  10           HB2      PHE  10  -4.642   8.496   1.734
   68    HB3  PHE  10           HB1      PHE  10  -4.347  10.225   1.836
   69    HD1  PHE  10           HD1      PHE  10  -5.962  11.625   3.185
   70    HD2  PHE  10           HD2      PHE  10  -5.781   7.388   3.386
   71    HE1  PHE  10           HE1      PHE  10  -7.096  11.694   5.372
   72    HE2  PHE  10           HE2      PHE  10  -6.919   7.438   5.576
   73    HZ   PHE  10           HZ       PHE  10  -7.576   9.594   6.569
   74    H    LYS  11           HN       LYS  11  -5.285  11.520  -0.991
   75    HA   LYS  11           HA       LYS  11  -3.698  11.650  -2.623
   76    HB2  LYS  11           HB2      LYS  11  -2.751   9.303  -1.031
   77    HB3  LYS  11           HB1      LYS  11  -1.854   9.895  -2.400
   78    HG2  LYS  11           HG2      LYS  11  -0.834  10.861  -0.520
   79    HG3  LYS  11           HG1      LYS  11  -1.814  12.151  -1.205
   80    HD2  LYS  11           HD2      LYS  11  -3.592  11.526   0.439
   81    HD3  LYS  11           HD1      LYS  11  -2.439  10.428   1.211
   82    HE2  LYS  11           HE2      LYS  11  -1.893  13.367   0.789
   83    HE3  LYS  11           HE1      LYS  11  -2.693  12.747   2.229
   84    HZ1  LYS  11           HZ1      LYS  11  -0.750  11.401   2.693
   85    HZ2  LYS  11           HZ2      LYS  11  -0.321  13.031   2.574
   86    HZ3  LYS  11           HZ3      LYS  11   0.020  11.975   1.301
   87    H    GLY  12           HN       GLY  12  -2.804   8.494  -2.932
   88    HA2  GLY  12           HA2      GLY  12  -4.529   8.109  -5.285
   89    HA3  GLY  12           HA1      GLY  12  -2.918   7.433  -5.112
   90    HA   PRO  13           HA       PRO  13  -6.338   4.631  -3.257
   91    HB2  PRO  13           HB2      PRO  13  -7.670   3.574  -5.291
   92    HB3  PRO  13           HB1      PRO  13  -8.065   5.192  -4.701
   93    HG2  PRO  13           HG2      PRO  13  -6.384   4.414  -7.062
   94    HG3  PRO  13           HG1      PRO  13  -7.682   5.620  -6.973
   95    HD2  PRO  13           HD2      PRO  13  -5.032   6.247  -6.790
   96    HD3  PRO  13           HD1      PRO  13  -6.317   7.194  -6.012
   97    H    CYS  14           HN       CYS  14  -6.794   2.158  -3.963
   98    HA   CYS  14           HA       CYS  14  -4.620   0.934  -5.385
   99    HB2  CYS  14           HB2      CYS  14  -3.520   1.341  -3.252
  100    HB3  CYS  14           HB1      CYS  14  -4.830   0.541  -2.392
  101    H    ILE  15           HN       ILE  15  -6.116  -0.850  -2.766
  102    HA   ILE  15           HA       ILE  15  -8.053  -2.032  -4.621
  103    HB   ILE  15           HB       ILE  15  -7.389  -4.312  -3.829
  104   HG12  ILE  15          HG12      ILE  15  -5.020  -2.747  -2.779
  105   HG13  ILE  15          HG11      ILE  15  -6.131  -3.758  -1.861
  106   HG21  ILE  15          HG21      ILE  15  -5.512  -4.527  -5.394
  107   HG22  ILE  15          HG22      ILE  15  -5.343  -2.771  -5.421
  108   HG23  ILE  15          HG23      ILE  15  -6.807  -3.527  -6.053
  109   HD11  ILE  15          HD11      ILE  15  -4.197  -4.733  -3.938
  110   HD12  ILE  15          HD12      ILE  15  -5.283  -5.731  -2.975
  111   HD13  ILE  15          HD13      ILE  15  -3.984  -4.837  -2.192
  112    HA   PRO  16           HA       PRO  16 -10.457  -1.675  -0.996
  113    HB2  PRO  16           HB2      PRO  16 -12.783  -2.612  -1.932
  114    HB3  PRO  16           HB1      PRO  16 -12.055  -1.128  -2.556
  115    HG2  PRO  16           HG2      PRO  16 -12.170  -3.837  -3.770
  116    HG3  PRO  16           HG1      PRO  16 -12.196  -2.252  -4.556
  117    HD2  PRO  16           HD2      PRO  16  -9.971  -3.959  -4.277
  118    HD3  PRO  16           HD1      PRO  16  -9.943  -2.268  -4.803
  119    H    ASP  17           HN       ASP  17  -9.086  -4.515  -1.562
  120    HA   ASP  17           HA       ASP  17 -10.996  -6.287  -0.322
  121    HB2  ASP  17           HB2      ASP  17  -9.496  -7.122  -2.066
  122    HB3  ASP  17           HB1      ASP  17  -8.101  -6.738  -1.066
  123    H    GLY  18           HN       GLY  18  -8.433  -4.254   0.791
  124    HA2  GLY  18           HA2      GLY  18  -8.133  -3.687   3.065
  125    HA3  GLY  18           HA1      GLY  18  -8.949  -5.167   3.527
  126    H    ASN  19           HN       ASN  19  -7.013  -6.162   1.300
  127    HA   ASN  19           HA       ASN  19  -5.091  -7.310   3.065
  128    HB2  ASN  19           HB2      ASN  19  -4.424  -8.562   1.071
  129    HB3  ASN  19           HB1      ASN  19  -6.164  -8.574   1.281
  130   HD21  ASN  19          HD21      ASN  19  -6.287  -5.742   0.265
  131   HD22  ASN  19          HD22      ASN  19  -6.187  -5.899  -1.442
  132    H    CYS  20           HN       CYS  20  -4.645  -4.555   3.018
  133    HA   CYS  20           HA       CYS  20  -2.977  -3.602   1.067
  134    HB2  CYS  20           HB2      CYS  20  -2.233  -1.921   2.660
  135    HB3  CYS  20           HB1      CYS  20  -3.971  -2.108   2.681
  136    H    ASN  21           HN       ASN  21  -2.106  -5.320   4.029
  137    HA   ASN  21           HA       ASN  21   0.667  -4.945   3.647
  138    HB2  ASN  21           HB2      ASN  21  -0.911  -6.769   5.415
  139    HB3  ASN  21           HB1      ASN  21   0.841  -6.881   5.336
  140   HD21  ASN  21          HD21      ASN  21   1.105  -3.999   4.861
  141   HD22  ASN  21          HD22      ASN  21   0.797  -3.262   6.394
  142    H    LYS  22           HN       LYS  22  -1.296  -7.892   3.251
  143    HA   LYS  22           HA       LYS  22   0.891  -9.314   2.215
  144    HB2  LYS  22           HB2      LYS  22  -0.953 -10.920   1.369
  145    HB3  LYS  22           HB1      LYS  22  -0.717 -10.717   3.095
  146    HG2  LYS  22           HG2      LYS  22  -2.627  -9.245   3.219
  147    HG3  LYS  22           HG1      LYS  22  -2.846  -9.332   1.470
  148    HD2  LYS  22           HD2      LYS  22  -3.255 -11.728   1.628
  149    HD3  LYS  22           HD1      LYS  22  -2.991 -11.676   3.369
  150    HE2  LYS  22           HE2      LYS  22  -4.929 -10.220   3.628
  151    HE3  LYS  22           HE1      LYS  22  -5.175 -10.223   1.885
  152    HZ1  LYS  22           HZ1      LYS  22  -6.655 -11.774   2.978
  153    HZ2  LYS  22           HZ2      LYS  22  -5.344 -12.596   3.655
  154    HZ3  LYS  22           HZ3      LYS  22  -5.571 -12.605   1.983
  155    H    HIS  23           HN       HIS  23  -1.376  -7.164   0.630
  156    HA   HIS  23           HA       HIS  23  -0.895  -8.106  -1.989
  157    HB2  HIS  23           HB2      HIS  23  -2.681  -6.460  -1.506
  158    HB3  HIS  23           HB1      HIS  23  -1.443  -5.241  -1.198
  159    HD1  HIS  23           HD1      HIS  23  -0.790  -3.870  -3.188
  160    HD2  HIS  23           HD2      HIS  23  -2.446  -7.522  -4.283
  161    HE1  HIS  23           HE1      HIS  23  -0.954  -3.815  -5.689
  162    HE2  HIS  23           HE2      HIS  23  -1.780  -6.097  -6.335
  163    H    CYS  24           HN       CYS  24   0.608  -5.330  -0.298
  164    HA   CYS  24           HA       CYS  24   2.559  -4.916  -2.291
  165    HB2  CYS  24           HB2      CYS  24   2.349  -4.163   0.599
  166    HB3  CYS  24           HB1      CYS  24   3.846  -3.883  -0.271
  167    H    ARG  25           HN       ARG  25   2.590  -6.799   0.710
  168    HA   ARG  25           HA       ARG  25   5.442  -7.140   0.560
  169    HB2  ARG  25           HB2      ARG  25   3.446  -8.306   2.495
  170    HB3  ARG  25           HB1      ARG  25   5.189  -8.281   2.697
  171    HG2  ARG  25           HG2      ARG  25   3.442  -5.850   2.488
  172    HG3  ARG  25           HG1      ARG  25   4.063  -6.531   3.995
  173    HD2  ARG  25           HD2      ARG  25   6.182  -6.155   2.087
  174    HD3  ARG  25           HD1      ARG  25   5.317  -4.633   2.336
  175    HE   ARG  25           HE       ARG  25   5.792  -4.866   4.718
  176   HH11  ARG  25          HH11      ARG  25   7.670  -6.939   2.601
  177   HH12  ARG  25          HH12      ARG  25   8.979  -7.095   3.722
  178   HH21  ARG  25          HH21      ARG  25   7.512  -5.098   6.185
  179   HH22  ARG  25          HH22      ARG  25   8.886  -6.064   5.755
  180    H    ASN  26           HN       ASN  26   2.640  -9.177  -0.060
  181    HA   ASN  26           HA       ASN  26   4.319 -11.545  -0.254
  182    HB2  ASN  26           HB2      ASN  26   1.352 -11.102  -0.481
  183    HB3  ASN  26           HB1      ASN  26   2.085 -12.614  -0.984
  184   HD21  ASN  26          HD21      ASN  26   3.436 -10.860   1.651
  185   HD22  ASN  26          HD22      ASN  26   2.895 -11.914   2.907
  186    H    ASN  27           HN       ASN  27   2.665  -9.286  -2.346
  187    HA   ASN  27           HA       ASN  27   3.159 -10.923  -4.676
  188    HB2  ASN  27           HB2      ASN  27   1.955  -8.165  -4.430
  189    HB3  ASN  27           HB1      ASN  27   2.086  -9.071  -5.932
  190   HD21  ASN  27          HD21      ASN  27   0.473  -8.778  -2.893
  191   HD22  ASN  27          HD22      ASN  27  -0.818  -9.877  -3.238
  192    H    GLU  28           HN       GLU  28   4.219  -7.718  -3.499
  193    HA   GLU  28           HA       GLU  28   6.260  -7.778  -5.619
  194    HB2  GLU  28           HB2      GLU  28   4.480  -5.986  -5.679
  195    HB3  GLU  28           HB1      GLU  28   5.192  -5.328  -4.213
  196    HG2  GLU  28           HG2      GLU  28   5.935  -4.151  -6.217
  197    HG3  GLU  28           HG1      GLU  28   7.273  -4.921  -5.367
  198    H    HIS  29           HN       HIS  29   5.755  -7.539  -2.197
  199    HA   HIS  29           HA       HIS  29   7.174  -7.766  -0.463
  200    HB2  HIS  29           HB2      HIS  29   8.444  -9.316  -2.033
  201    HB3  HIS  29           HB1      HIS  29   9.462  -7.943  -2.442
  202    HD1  HIS  29           HD1      HIS  29  10.734  -6.852  -0.247
  203    HD2  HIS  29           HD2      HIS  29   9.338 -10.754   0.072
  204    HE1  HIS  29           HE1      HIS  29  11.964  -7.853   1.702
  205    HE2  HIS  29           HE2      HIS  29  11.228 -10.261   1.765
  206    H    LEU  30           HN       LEU  30   6.328  -5.312  -0.871
  207    HA   LEU  30           HA       LEU  30   8.547  -3.497  -1.194
  208    HB2  LEU  30           HB2      LEU  30   5.803  -2.786  -0.196
  209    HB3  LEU  30           HB1      LEU  30   7.020  -1.701  -0.823
  210    HG   LEU  30           HG       LEU  30   5.285  -3.635  -2.335
  211   HD11  LEU  30          HD11      LEU  30   4.711  -1.666  -3.620
  212   HD12  LEU  30          HD12      LEU  30   5.869  -0.704  -2.701
  213   HD13  LEU  30          HD13      LEU  30   4.441  -1.358  -1.899
  214   HD21  LEU  30          HD21      LEU  30   7.747  -2.236  -3.370
  215   HD22  LEU  30          HD22      LEU  30   6.580  -3.131  -4.341
  216   HD23  LEU  30          HD23      LEU  30   7.559  -3.976  -3.143
  217    H    LEU  31           HN       LEU  31   8.071  -1.561   0.773
  218    HA   LEU  31           HA       LEU  31   9.569  -2.982   2.833
  219    HB2  LEU  31           HB2      LEU  31   9.145  -0.016   2.640
  220    HB3  LEU  31           HB1      LEU  31  10.425  -0.873   3.481
  221    HG   LEU  31           HG       LEU  31  10.045  -0.612   0.512
  222   HD11  LEU  31          HD11      LEU  31  11.073   1.314   1.562
  223   HD12  LEU  31          HD12      LEU  31  12.274   0.429   0.622
  224   HD13  LEU  31          HD13      LEU  31  12.241   0.275   2.377
  225   HD21  LEU  31          HD21      LEU  31  12.111  -1.948   0.301
  226   HD22  LEU  31          HD22      LEU  31  10.741  -2.863   0.934
  227   HD23  LEU  31          HD23      LEU  31  12.015  -2.313   2.025
  228    H    SER  32           HN       SER  32   6.865  -0.623   2.805
  229    HA   SER  32           HA       SER  32   6.247  -1.479   5.556
  230    HB2  SER  32           HB2      SER  32   5.421   0.830   3.848
  231    HB3  SER  32           HB1      SER  32   4.444   0.366   5.222
  232    HG   SER  32           HG       SER  32   6.364   1.977   5.360
  233    H    GLY  33           HN       GLY  33   4.976  -1.411   2.379
  234    HA2  GLY  33           HA2      GLY  33   3.558  -2.788   1.279
  235    HA3  GLY  33           HA1      GLY  33   3.750  -3.926   2.591
  236    H    ARG  34           HN       ARG  34   2.291  -0.686   2.831
  237    HA   ARG  34           HA       ARG  34  -0.195  -2.045   3.562
  238    HB2  ARG  34           HB2      ARG  34   1.308   0.257   4.403
  239    HB3  ARG  34           HB1      ARG  34  -0.343   0.747   4.077
  240    HG2  ARG  34           HG2      ARG  34  -1.086  -1.034   5.655
  241    HG3  ARG  34           HG1      ARG  34   0.612  -1.394   5.981
  242    HD2  ARG  34           HD2      ARG  34   0.961   0.869   6.806
  243    HD3  ARG  34           HD1      ARG  34  -0.715   1.303   6.430
  244    HE   ARG  34           HE       ARG  34  -0.489  -0.964   8.187
  245   HH11  ARG  34          HH11      ARG  34  -0.482   2.538   8.089
  246   HH12  ARG  34          HH12      ARG  34  -0.987   2.709   9.736
  247   HH21  ARG  34          HH21      ARG  34  -1.136  -0.740  10.356
  248   HH22  ARG  34          HH22      ARG  34  -1.344   0.844  11.031
  249    H    CYS  35           HN       CYS  35  -0.475  -2.407   1.019
  250    HA   CYS  35           HA       CYS  35  -1.628   0.009  -0.181
  251    HB2  CYS  35           HB2      CYS  35   0.072  -1.520  -1.401
  252    HB3  CYS  35           HB1      CYS  35  -1.325  -2.548  -1.697
  253    H    ARG  36           HN       ARG  36  -3.763   0.349   0.310
  254    HA   ARG  36           HA       ARG  36  -5.547  -1.474  -1.001
  255    HB2  ARG  36           HB2      ARG  36  -7.183  -1.637   0.861
  256    HB3  ARG  36           HB1      ARG  36  -5.723  -2.554   1.105
  257    HG2  ARG  36           HG2      ARG  36  -4.939  -0.595   2.532
  258    HG3  ARG  36           HG1      ARG  36  -6.614  -0.058   2.475
  259    HD2  ARG  36           HD2      ARG  36  -7.337  -2.222   3.334
  260    HD3  ARG  36           HD1      ARG  36  -5.674  -2.770   3.440
  261    HE   ARG  36           HE       ARG  36  -6.033  -0.372   4.914
  262   HH11  ARG  36          HH11      ARG  36  -6.691  -3.820   5.094
  263   HH12  ARG  36          HH12      ARG  36  -6.878  -3.808   6.817
  264   HH21  ARG  36          HH21      ARG  36  -6.284  -0.386   7.185
  265   HH22  ARG  36          HH22      ARG  36  -6.645  -1.879   7.996
  266    H    ASP  37           HN       ASP  37  -7.955  -0.569  -0.598
  267    HA   ASP  37           HA       ASP  37  -7.721   2.262  -1.393
  268    HB2  ASP  37           HB2      ASP  37  -8.051   0.939  -3.377
  269    HB3  ASP  37           HB1      ASP  37  -9.378   0.059  -2.629
  270    H    ASP  38           HN       ASP  38 -10.387  -0.021  -0.843
  271    HA   ASP  38           HA       ASP  38 -12.208   1.761   0.235
  272    HB2  ASP  38           HB2      ASP  38 -12.809  -0.516  -0.461
  273    HB3  ASP  38           HB1      ASP  38 -11.879  -1.183   0.877
  274    H    PHE  39           HN       PHE  39  -9.606  -0.002   1.734
  275    HA   PHE  39           HA       PHE  39 -10.037   1.518   4.217
  276    HB2  PHE  39           HB2      PHE  39  -8.266  -0.890   3.946
  277    HB3  PHE  39           HB1      PHE  39  -8.943  -0.203   5.403
  278    HD1  PHE  39           HD1      PHE  39  -9.556  -2.385   2.523
  279    HD2  PHE  39           HD2      PHE  39 -11.221  -0.670   6.062
  280    HE1  PHE  39           HE1      PHE  39 -11.412  -3.997   2.443
  281    HE2  PHE  39           HE2      PHE  39 -13.069  -2.287   5.978
  282    HZ   PHE  39           HZ       PHE  39 -13.164  -3.952   4.168
  283    H    ARG  40           HN       ARG  40  -7.744   2.055   5.252
  284    HA   ARG  40           HA       ARG  40  -6.179   3.095   2.984
  285    HB2  ARG  40           HB2      ARG  40  -6.719   4.468   5.624
  286    HB3  ARG  40           HB1      ARG  40  -5.726   5.106   4.327
  287    HG2  ARG  40           HG2      ARG  40  -7.712   6.235   4.050
  288    HG3  ARG  40           HG1      ARG  40  -7.859   4.913   2.894
  289    HD2  ARG  40           HD2      ARG  40  -9.931   5.236   4.140
  290    HD3  ARG  40           HD1      ARG  40  -9.220   3.661   4.486
  291    HE   ARG  40           HE       ARG  40  -8.327   4.783   6.571
  292   HH11  ARG  40          HH11      ARG  40 -11.297   5.789   5.011
  293   HH12  ARG  40          HH12      ARG  40 -11.992   6.427   6.464
  294   HH21  ARG  40          HH21      ARG  40  -9.263   5.605   8.501
  295   HH22  ARG  40          HH22      ARG  40 -10.847   6.314   8.443
  296    H    CYS  41           HN       CYS  41  -4.186   2.434   2.915
  297    HA   CYS  41           HA       CYS  41  -2.729   1.874   5.395
  298    HB2  CYS  41           HB2      CYS  41  -3.375   0.065   3.151
  299    HB3  CYS  41           HB1      CYS  41  -1.762  -0.079   3.789
  300    H    TRP  42           HN       TRP  42  -0.461   2.432   5.353
  301    HA   TRP  42           HA       TRP  42   0.514   4.042   3.112
  302    HB2  TRP  42           HB2      TRP  42   1.764   3.354   5.782
  303    HB3  TRP  42           HB1      TRP  42   2.508   4.396   4.586
  304    HD1  TRP  42           HD1      TRP  42  -0.097   4.379   7.337
  305    HE1  TRP  42           HE1      TRP  42  -0.860   6.800   7.777
  306    HE3  TRP  42           HE3      TRP  42   2.145   6.678   3.363
  307    HZ2  TRP  42           HZ2      TRP  42  -0.552   9.342   6.588
  308    HZ3  TRP  42           HZ3      TRP  42   1.865   9.091   3.082
  309    HH2  TRP  42           HH2      TRP  42   0.535  10.403   4.652
  310    H    CYS  43           HN       CYS  43   1.369   2.739   1.364
  311    HA   CYS  43           HA       CYS  43   3.188   0.597   2.239
  312    HB2  CYS  43           HB2      CYS  43   1.421   0.027   0.517
  313    HB3  CYS  43           HB1      CYS  43   2.330   1.019  -0.628
  314    H    THR  44           HN       THR  44   5.243   0.849   2.227
  315    HA   THR  44           HA       THR  44   6.432   3.211   0.970
  316    HB   THR  44           HB       THR  44   7.673   1.415   3.058
  317    HG1  THR  44           HG1      THR  44   6.402   3.883   3.636
  318   HG21  THR  44          HG21      THR  44   8.274   4.210   2.097
  319   HG22  THR  44          HG22      THR  44   9.306   2.787   1.995
  320   HG23  THR  44          HG23      THR  44   8.960   3.513   3.564
  321    H    ASN  45           HN       ASN  45   7.997   3.031  -0.539
  322    HA   ASN  45           HA       ASN  45   9.526   0.612  -0.905
  323    HB2  ASN  45           HB2      ASN  45   7.518   0.055  -2.166
  324    HB3  ASN  45           HB1      ASN  45   7.616   1.571  -3.052
  325   HD21  ASN  45          HD21      ASN  45   9.152  -1.526  -2.501
  326   HD22  ASN  45          HD22      ASN  45   9.987  -1.587  -4.015
  327    H    ARG  46           HN       ARG  46  11.142   0.939  -2.708
  328    HA   ARG  46           HA       ARG  46  12.258   3.611  -2.459
  329    HB2  ARG  46           HB2      ARG  46  13.418   1.287  -3.991
  330    HB3  ARG  46           HB1      ARG  46  14.269   2.659  -3.296
  331    HG2  ARG  46           HG2      ARG  46  14.466   1.674  -1.299
  332    HG3  ARG  46           HG1      ARG  46  12.810   1.065  -1.332
  333    HD2  ARG  46           HD2      ARG  46  13.484  -0.729  -2.830
  334    HD3  ARG  46           HD1      ARG  46  15.139  -0.120  -2.836
  335    HE   ARG  46           HE       ARG  46  14.700  -0.557  -0.219
  336   HH11  ARG  46          HH11      ARG  46  14.124  -2.538  -3.042
  337   HH12  ARG  46          HH12      ARG  46  14.419  -4.031  -2.212
  338   HH21  ARG  46          HH21      ARG  46  15.092  -2.519   0.879
  339   HH22  ARG  46          HH22      ARG  46  14.987  -4.022   0.018
  340    H    CYS  47           HN       CYS  47  11.830   5.149  -3.973
  341    HA   CYS  47           HA       CYS  47  11.258   4.206  -6.699
  342    HB2  CYS  47           HB2      CYS  47   9.661   5.938  -7.024
  343    HB3  CYS  47           HB1      CYS  47   9.269   5.179  -5.489
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1  11.881   6.313   8.075
    2    H2   LYS   1           HT2      LYS   1  12.068   7.500   6.885
    3    H3   LYS   1           HT3      LYS   1  13.235   6.291   7.066
    4    HA   LYS   1           HA       LYS   1  11.653   4.608   6.406
    5    HB2  LYS   1           HB2      LYS   1   9.841   7.000   6.077
    6    HB3  LYS   1           HB1      LYS   1   9.540   5.460   5.292
    7    HG2  LYS   1           HG2      LYS   1   9.390   4.390   7.500
    8    HG3  LYS   1           HG1      LYS   1   9.615   5.970   8.256
    9    HD2  LYS   1           HD2      LYS   1   7.587   6.797   7.314
   10    HD3  LYS   1           HD1      LYS   1   7.413   5.379   6.280
   11    HE2  LYS   1           HE2      LYS   1   7.119   3.985   8.278
   12    HE3  LYS   1           HE1      LYS   1   7.264   5.419   9.294
   13    HZ1  LYS   1           HZ1      LYS   1   5.285   6.313   8.266
   14    HZ2  LYS   1           HZ2      LYS   1   4.954   4.788   8.915
   15    HZ3  LYS   1           HZ3      LYS   1   5.163   4.969   7.240
   16    H    THR   2           HN       THR   2  10.874   4.317   4.170
   17    HA   THR   2           HA       THR   2  12.463   5.848   2.258
   18    HB   THR   2           HB       THR   2  11.550   3.860   0.797
   19    HG1  THR   2           HG1      THR   2  11.884   2.503   3.237
   20   HG21  THR   2          HG21      THR   2  13.891   4.321   1.120
   21   HG22  THR   2          HG22      THR   2  13.606   2.605   1.408
   22   HG23  THR   2          HG23      THR   2  13.814   3.705   2.775
   23    H    CYS   3           HN       CYS   3  11.158   5.782   0.011
   24    HA   CYS   3           HA       CYS   3   9.202   7.751   0.306
   25    HB2  CYS   3           HB2      CYS   3   9.436   5.881  -2.056
   26    HB3  CYS   3           HB1      CYS   3   8.832   7.536  -2.050
   27    H    GLU   4           HN       GLU   4   7.280   7.544   1.179
   28    HA   GLU   4           HA       GLU   4   5.816   5.020   0.849
   29    HB2  GLU   4           HB2      GLU   4   6.785   5.017   3.075
   30    HB3  GLU   4           HB1      GLU   4   6.182   6.636   3.379
   31    HG2  GLU   4           HG2      GLU   4   3.851   5.618   3.004
   32    HG3  GLU   4           HG1      GLU   4   4.658   4.060   3.233
   33    H    ASN   5           HN       ASN   5   3.662   5.212   0.522
   34    HA   ASN   5           HA       ASN   5   2.379   7.729   1.175
   35    HB2  ASN   5           HB2      ASN   5   1.394   8.093  -0.950
   36    HB3  ASN   5           HB1      ASN   5   3.109   7.871  -1.217
   37   HD21  ASN   5          HD21      ASN   5  -0.045   6.523  -1.608
   38   HD22  ASN   5          HD22      ASN   5   0.387   5.311  -2.766
   39    H    LEU   6           HN       LEU   6   0.269   7.569   1.561
   40    HA   LEU   6           HA       LEU   6  -0.781   5.011   2.231
   41    HB2  LEU   6           HB2      LEU   6  -1.321   7.528   3.051
   42    HB3  LEU   6           HB1      LEU   6  -2.639   7.279   1.922
   43    HG   LEU   6           HG       LEU   6  -2.021   5.578   4.358
   44   HD11  LEU   6          HD11      LEU   6  -4.069   6.476   5.226
   45   HD12  LEU   6          HD12      LEU   6  -4.385   7.346   3.727
   46   HD13  LEU   6          HD13      LEU   6  -3.031   7.819   4.752
   47   HD21  LEU   6          HD21      LEU   6  -3.887   5.211   2.056
   48   HD22  LEU   6          HD22      LEU   6  -4.366   4.682   3.667
   49   HD23  LEU   6          HD23      LEU   6  -2.899   4.022   2.931
   50    H    SER   7           HN       SER   7  -1.542   3.616   0.807
   51    HA   SER   7           HA       SER   7  -2.146   4.613  -1.873
   52    HB2  SER   7           HB2      SER   7  -1.619   1.773  -0.979
   53    HB3  SER   7           HB1      SER   7  -1.605   2.399  -2.623
   54    HG   SER   7           HG       SER   7   0.079   3.720  -0.898
   55    H    GLY   8           HN       GLY   8  -4.275   5.245  -1.651
   56    HA2  GLY   8           HA2      GLY   8  -6.287   3.325  -1.932
   57    HA3  GLY   8           HA1      GLY   8  -6.255   3.820  -0.244
   58    H    THR   9           HN       THR   9  -7.539   5.468   0.259
   59    HA   THR   9           HA       THR   9  -9.062   6.783  -1.689
   60    HB   THR   9           HB       THR   9  -9.956   6.552   0.527
   61    HG1  THR   9           HG1      THR   9 -10.998   8.340   0.210
   62   HG21  THR   9          HG21      THR   9  -9.105   7.791   2.454
   63   HG22  THR   9          HG22      THR   9  -7.771   8.406   1.478
   64   HG23  THR   9          HG23      THR   9  -7.885   6.681   1.827
   65    H    PHE  10           HN       PHE  10  -6.427   8.099   0.338
   66    HA   PHE  10           HA       PHE  10  -6.131  10.306  -1.543
   67    HB2  PHE  10           HB2      PHE  10  -6.075  10.502   1.063
   68    HB3  PHE  10           HB1      PHE  10  -4.426   9.909   0.898
   69    HD1  PHE  10           HD1      PHE  10  -6.650  12.473  -0.646
   70    HD2  PHE  10           HD2      PHE  10  -2.766  11.486   0.777
   71    HE1  PHE  10           HE1      PHE  10  -5.896  14.762  -1.137
   72    HE2  PHE  10           HE2      PHE  10  -2.003  13.776   0.289
   73    HZ   PHE  10           HZ       PHE  10  -3.568  15.415  -0.670
   74    H    LYS  11           HN       LYS  11  -4.167  10.657  -2.680
   75    HA   LYS  11           HA       LYS  11  -2.087  10.269  -3.527
   76    HB2  LYS  11           HB2      LYS  11  -1.936   8.259  -1.283
   77    HB3  LYS  11           HB1      LYS  11  -0.600   8.602  -2.368
   78    HG2  LYS  11           HG2      LYS  11  -0.137  10.593  -1.393
   79    HG3  LYS  11           HG1      LYS  11  -1.825  10.911  -0.982
   80    HD2  LYS  11           HD2      LYS  11  -1.733   9.629   0.940
   81    HD3  LYS  11           HD1      LYS  11  -0.361   8.686   0.368
   82    HE2  LYS  11           HE2      LYS  11   0.368  10.150   2.134
   83    HE3  LYS  11           HE1      LYS  11   1.064  10.700   0.615
   84    HZ1  LYS  11           HZ1      LYS  11  -1.332  11.869   1.920
   85    HZ2  LYS  11           HZ2      LYS  11  -0.604  12.420   0.494
   86    HZ3  LYS  11           HZ3      LYS  11   0.223  12.529   1.962
   87    H    GLY  12           HN       GLY  12  -4.539   8.721  -4.311
   88    HA2  GLY  12           HA2      GLY  12  -4.771   7.422  -6.255
   89    HA3  GLY  12           HA1      GLY  12  -3.135   6.833  -6.049
   90    HA   PRO  13           HA       PRO  13  -6.535   4.226  -3.882
   91    HB2  PRO  13           HB2      PRO  13  -7.691   2.996  -6.202
   92    HB3  PRO  13           HB1      PRO  13  -8.442   4.114  -5.063
   93    HG2  PRO  13           HG2      PRO  13  -7.914   4.730  -7.685
   94    HG3  PRO  13           HG1      PRO  13  -8.036   5.933  -6.389
   95    HD2  PRO  13           HD2      PRO  13  -5.583   4.703  -7.593
   96    HD3  PRO  13           HD1      PRO  13  -5.909   6.398  -7.173
   97    H    CYS  14           HN       CYS  14  -7.172   1.742  -4.260
   98    HA   CYS  14           HA       CYS  14  -5.030   0.199  -5.397
   99    HB2  CYS  14           HB2      CYS  14  -4.040   0.894  -3.247
  100    HB3  CYS  14           HB1      CYS  14  -5.418   0.201  -2.395
  101    H    ILE  15           HN       ILE  15  -6.849  -0.888  -2.586
  102    HA   ILE  15           HA       ILE  15  -8.727  -2.389  -4.223
  103    HB   ILE  15           HB       ILE  15  -8.080  -4.550  -3.171
  104   HG12  ILE  15          HG12      ILE  15  -5.709  -2.915  -2.243
  105   HG13  ILE  15          HG11      ILE  15  -6.866  -3.794  -1.247
  106   HG21  ILE  15          HG21      ILE  15  -7.411  -4.043  -5.454
  107   HG22  ILE  15          HG22      ILE  15  -6.176  -4.999  -4.636
  108   HG23  ILE  15          HG23      ILE  15  -5.942  -3.266  -4.865
  109   HD11  ILE  15          HD11      ILE  15  -4.860  -5.015  -3.121
  110   HD12  ILE  15          HD12      ILE  15  -6.031  -5.901  -2.144
  111   HD13  ILE  15          HD13      ILE  15  -4.760  -4.964  -1.361
  112    HA   PRO  16           HA       PRO  16 -10.937  -1.735  -0.428
  113    HB2  PRO  16           HB2      PRO  16 -13.332  -2.632  -1.229
  114    HB3  PRO  16           HB1      PRO  16 -12.616  -1.165  -1.900
  115    HG2  PRO  16           HG2      PRO  16 -12.933  -3.837  -3.125
  116    HG3  PRO  16           HG1      PRO  16 -12.816  -2.251  -3.900
  117    HD2  PRO  16           HD2      PRO  16 -10.748  -4.198  -3.558
  118    HD3  PRO  16           HD1      PRO  16 -10.610  -2.586  -4.282
  119    H    ASP  17           HN       ASP  17  -9.459  -4.385  -0.735
  120    HA   ASP  17           HA       ASP  17 -11.353  -6.235   0.495
  121    HB2  ASP  17           HB2      ASP  17  -8.660  -6.566  -0.767
  122    HB3  ASP  17           HB1      ASP  17  -9.287  -7.811   0.306
  123    H    GLY  18           HN       GLY  18  -8.715  -4.205   1.412
  124    HA2  GLY  18           HA2      GLY  18  -8.293  -3.577   3.630
  125    HA3  GLY  18           HA1      GLY  18  -9.170  -4.985   4.185
  126    H    ASN  19           HN       ASN  19  -7.203  -6.124   1.944
  127    HA   ASN  19           HA       ASN  19  -5.302  -7.157   3.859
  128    HB2  ASN  19           HB2      ASN  19  -4.657  -8.512   1.744
  129    HB3  ASN  19           HB1      ASN  19  -6.176  -8.848   2.563
  130   HD21  ASN  19          HD21      ASN  19  -5.795  -5.987   0.634
  131   HD22  ASN  19          HD22      ASN  19  -6.850  -6.474  -0.640
  132    H    CYS  20           HN       CYS  20  -4.650  -4.657   3.713
  133    HA   CYS  20           HA       CYS  20  -3.347  -3.733   1.453
  134    HB2  CYS  20           HB2      CYS  20  -2.404  -1.997   2.922
  135    HB3  CYS  20           HB1      CYS  20  -4.137  -2.163   3.076
  136    H    ASN  21           HN       ASN  21  -1.990  -5.078   4.435
  137    HA   ASN  21           HA       ASN  21   0.670  -4.596   3.750
  138    HB2  ASN  21           HB2      ASN  21  -0.630  -5.616   5.960
  139    HB3  ASN  21           HB1      ASN  21   0.288  -6.987   5.357
  140   HD21  ASN  21          HD21      ASN  21   1.303  -3.717   4.898
  141   HD22  ASN  21          HD22      ASN  21   2.658  -3.797   5.957
  142    H    LYS  22           HN       LYS  22  -1.172  -7.641   3.525
  143    HA   LYS  22           HA       LYS  22   1.023  -9.013   2.419
  144    HB2  LYS  22           HB2      LYS  22  -0.423 -10.862   2.081
  145    HB3  LYS  22           HB1      LYS  22  -0.900 -10.099   3.585
  146    HG2  LYS  22           HG2      LYS  22  -2.777  -8.998   2.387
  147    HG3  LYS  22           HG1      LYS  22  -2.311  -9.894   0.936
  148    HD2  LYS  22           HD2      LYS  22  -2.611 -12.007   2.144
  149    HD3  LYS  22           HD1      LYS  22  -3.096 -11.106   3.579
  150    HE2  LYS  22           HE2      LYS  22  -5.032 -10.254   2.455
  151    HE3  LYS  22           HE1      LYS  22  -4.526 -10.995   0.934
  152    HZ1  LYS  22           HZ1      LYS  22  -5.306 -12.434   3.414
  153    HZ2  LYS  22           HZ2      LYS  22  -4.756 -13.172   1.997
  154    HZ3  LYS  22           HZ3      LYS  22  -6.217 -12.323   1.993
  155    H    HIS  23           HN       HIS  23  -1.329  -6.919   0.955
  156    HA   HIS  23           HA       HIS  23  -1.146  -8.011  -1.653
  157    HB2  HIS  23           HB2      HIS  23  -2.898  -6.352  -0.911
  158    HB3  HIS  23           HB1      HIS  23  -1.662  -5.103  -1.039
  159    HD1  HIS  23           HD1      HIS  23  -1.385  -4.056  -3.313
  160    HD2  HIS  23           HD2      HIS  23  -3.388  -7.698  -3.475
  161    HE1  HIS  23           HE1      HIS  23  -2.168  -4.297  -5.686
  162    HE2  HIS  23           HE2      HIS  23  -3.378  -6.499  -5.765
  163    H    CYS  24           HN       CYS  24   0.370  -4.993  -0.409
  164    HA   CYS  24           HA       CYS  24   2.068  -4.713  -2.663
  165    HB2  CYS  24           HB2      CYS  24   2.065  -3.513   0.086
  166    HB3  CYS  24           HB1      CYS  24   3.480  -3.326  -0.934
  167    H    ARG  25           HN       ARG  25   2.361  -6.647   0.206
  168    HA   ARG  25           HA       ARG  25   5.239  -6.872  -0.072
  169    HB2  ARG  25           HB2      ARG  25   3.402  -8.251   1.875
  170    HB3  ARG  25           HB1      ARG  25   5.153  -8.190   1.955
  171    HG2  ARG  25           HG2      ARG  25   3.337  -5.815   2.108
  172    HG3  ARG  25           HG1      ARG  25   4.097  -6.611   3.491
  173    HD2  ARG  25           HD2      ARG  25   5.771  -5.681   1.220
  174    HD3  ARG  25           HD1      ARG  25   5.209  -4.502   2.394
  175    HE   ARG  25           HE       ARG  25   7.306  -6.382   2.724
  176   HH11  ARG  25          HH11      ARG  25   4.711  -4.842   4.516
  177   HH12  ARG  25          HH12      ARG  25   5.514  -4.995   6.041
  178   HH21  ARG  25          HH21      ARG  25   8.347  -6.575   4.722
  179   HH22  ARG  25          HH22      ARG  25   7.573  -5.996   6.163
  180    H    ASN  26           HN       ASN  26   2.411  -8.746  -0.874
  181    HA   ASN  26           HA       ASN  26   3.984 -11.173  -1.205
  182    HB2  ASN  26           HB2      ASN  26   1.075 -10.527  -1.581
  183    HB3  ASN  26           HB1      ASN  26   1.749 -12.010  -2.229
  184   HD21  ASN  26          HD21      ASN  26   2.973 -10.647   0.704
  185   HD22  ASN  26          HD22      ASN  26   2.308 -11.829   1.772
  186    H    ASN  27           HN       ASN  27   2.304  -8.864  -3.303
  187    HA   ASN  27           HA       ASN  27   3.108 -10.378  -5.636
  188    HB2  ASN  27           HB2      ASN  27   1.528  -9.213  -6.822
  189    HB3  ASN  27           HB1      ASN  27   0.855  -9.073  -5.206
  190   HD21  ASN  27          HD21      ASN  27   1.217  -7.073  -4.041
  191   HD22  ASN  27          HD22      ASN  27   1.404  -5.600  -4.951
  192    H    GLU  28           HN       GLU  28   3.929  -7.293  -4.120
  193    HA   GLU  28           HA       GLU  28   5.940  -6.894  -6.232
  194    HB2  GLU  28           HB2      GLU  28   4.055  -5.189  -5.932
  195    HB3  GLU  28           HB1      GLU  28   4.844  -4.740  -4.430
  196    HG2  GLU  28           HG2      GLU  28   6.705  -3.886  -5.518
  197    HG3  GLU  28           HG1      GLU  28   6.346  -4.750  -7.012
  198    H    HIS  29           HN       HIS  29   5.421  -7.366  -2.887
  199    HA   HIS  29           HA       HIS  29   6.768  -7.634  -1.108
  200    HB2  HIS  29           HB2      HIS  29   7.909  -9.164  -2.782
  201    HB3  HIS  29           HB1      HIS  29   9.067  -7.866  -3.049
  202    HD1  HIS  29           HD1      HIS  29   7.782 -10.049  -0.231
  203    HD2  HIS  29           HD2      HIS  29  11.137  -7.829  -1.272
  204    HE1  HIS  29           HE1      HIS  29   9.467 -10.484   1.576
  205    HE2  HIS  29           HE2      HIS  29  11.558  -9.305   0.809
  206    H    LEU  30           HN       LEU  30   6.165  -5.193  -1.104
  207    HA   LEU  30           HA       LEU  30   8.413  -3.426  -1.475
  208    HB2  LEU  30           HB2      LEU  30   5.752  -2.841  -0.193
  209    HB3  LEU  30           HB1      LEU  30   6.956  -1.665  -0.681
  210    HG   LEU  30           HG       LEU  30   5.255  -3.395  -2.464
  211   HD11  LEU  30          HD11      LEU  30   4.135  -1.441  -1.653
  212   HD12  LEU  30          HD12      LEU  30   4.562  -1.188  -3.345
  213   HD13  LEU  30          HD13      LEU  30   5.514  -0.425  -2.070
  214   HD21  LEU  30          HD21      LEU  30   7.467  -3.363  -3.415
  215   HD22  LEU  30          HD22      LEU  30   7.572  -1.615  -3.197
  216   HD23  LEU  30          HD23      LEU  30   6.413  -2.295  -4.343
  217    H    LEU  31           HN       LEU  31   8.149  -1.664   0.641
  218    HA   LEU  31           HA       LEU  31   9.686  -3.173   2.589
  219    HB2  LEU  31           HB2      LEU  31   9.265  -0.195   2.556
  220    HB3  LEU  31           HB1      LEU  31  10.593  -1.101   3.265
  221    HG   LEU  31           HG       LEU  31  10.017  -0.745   0.334
  222   HD11  LEU  31          HD11      LEU  31  12.346   0.153   2.024
  223   HD12  LEU  31          HD12      LEU  31  11.067   1.188   1.390
  224   HD13  LEU  31          HD13      LEU  31  12.180   0.384   0.283
  225   HD21  LEU  31          HD21      LEU  31  12.132  -2.411   1.678
  226   HD22  LEU  31          HD22      LEU  31  12.097  -2.015  -0.040
  227   HD23  LEU  31          HD23      LEU  31  10.800  -2.980   0.669
  228    H    SER  32           HN       SER  32   6.957  -0.833   2.699
  229    HA   SER  32           HA       SER  32   6.201  -2.145   5.244
  230    HB2  SER  32           HB2      SER  32   5.758   0.580   4.133
  231    HB3  SER  32           HB1      SER  32   4.508  -0.099   5.164
  232    HG   SER  32           HG       SER  32   6.734   1.060   5.915
  233    H    GLY  33           HN       GLY  33   4.976  -1.204   2.109
  234    HA2  GLY  33           HA2      GLY  33   3.528  -2.276   0.727
  235    HA3  GLY  33           HA1      GLY  33   3.797  -3.695   1.706
  236    H    ARG  34           HN       ARG  34   2.227  -0.694   2.759
  237    HA   ARG  34           HA       ARG  34  -0.103  -2.212   3.585
  238    HB2  ARG  34           HB2      ARG  34   1.327   0.143   4.286
  239    HB3  ARG  34           HB1      ARG  34  -0.330   0.628   3.981
  240    HG2  ARG  34           HG2      ARG  34  -1.013  -1.135   5.647
  241    HG3  ARG  34           HG1      ARG  34   0.707  -1.367   5.990
  242    HD2  ARG  34           HD2      ARG  34   0.939   0.918   6.698
  243    HD3  ARG  34           HD1      ARG  34  -0.713   1.311   6.181
  244    HE   ARG  34           HE       ARG  34  -0.910  -0.735   8.054
  245   HH11  ARG  34          HH11      ARG  34   0.353   2.533   7.992
  246   HH12  ARG  34          HH12      ARG  34  -0.078   2.870   9.633
  247   HH21  ARG  34          HH21      ARG  34  -1.460  -0.306  10.222
  248   HH22  ARG  34          HH22      ARG  34  -1.111   1.250  10.908
  249    H    CYS  35           HN       CYS  35  -0.911  -2.687   1.244
  250    HA   CYS  35           HA       CYS  35  -2.000  -0.296  -0.053
  251    HB2  CYS  35           HB2      CYS  35  -0.557  -2.122  -1.229
  252    HB3  CYS  35           HB1      CYS  35  -2.101  -2.954  -1.376
  253    H    ARG  36           HN       ARG  36  -4.074   0.295   0.547
  254    HA   ARG  36           HA       ARG  36  -6.115  -1.410  -0.472
  255    HB2  ARG  36           HB2      ARG  36  -7.565  -1.475   1.546
  256    HB3  ARG  36           HB1      ARG  36  -6.168  -2.506   1.628
  257    HG2  ARG  36           HG2      ARG  36  -5.084  -0.612   2.953
  258    HG3  ARG  36           HG1      ARG  36  -6.718   0.019   3.105
  259    HD2  ARG  36           HD2      ARG  36  -7.437  -2.150   4.027
  260    HD3  ARG  36           HD1      ARG  36  -5.782  -2.728   3.964
  261    HE   ARG  36           HE       ARG  36  -5.901  -0.323   5.436
  262   HH11  ARG  36          HH11      ARG  36  -6.740  -3.719   5.729
  263   HH12  ARG  36          HH12      ARG  36  -6.774  -3.679   7.460
  264   HH21  ARG  36          HH21      ARG  36  -5.954  -0.289   7.714
  265   HH22  ARG  36          HH22      ARG  36  -6.329  -1.742   8.583
  266    H    ASP  37           HN       ASP  37  -8.263  -0.487  -0.419
  267    HA   ASP  37           HA       ASP  37  -8.258   2.437  -0.383
  268    HB2  ASP  37           HB2      ASP  37  -7.523   1.931  -2.606
  269    HB3  ASP  37           HB1      ASP  37  -8.800   0.745  -2.813
  270    H    ASP  38           HN       ASP  38  -9.627   2.385   1.146
  271    HA   ASP  38           HA       ASP  38 -12.220   2.679   1.235
  272    HB2  ASP  38           HB2      ASP  38 -12.645   0.485   0.110
  273    HB3  ASP  38           HB1      ASP  38 -11.796  -0.326   1.422
  274    H    PHE  39           HN       PHE  39  -9.742   0.583   2.371
  275    HA   PHE  39           HA       PHE  39  -9.925   1.702   5.083
  276    HB2  PHE  39           HB2      PHE  39  -8.263  -0.619   4.149
  277    HB3  PHE  39           HB1      PHE  39  -8.704  -0.222   5.786
  278    HD1  PHE  39           HD1      PHE  39 -11.047  -0.586   6.547
  279    HD2  PHE  39           HD2      PHE  39  -9.618  -2.013   2.784
  280    HE1  PHE  39           HE1      PHE  39 -12.948  -2.134   6.414
  281    HE2  PHE  39           HE2      PHE  39 -11.534  -3.553   2.654
  282    HZ   PHE  39           HZ       PHE  39 -13.196  -3.618   4.469
  283    H    ARG  40           HN       ARG  40  -7.524   2.123   5.937
  284    HA   ARG  40           HA       ARG  40  -6.112   3.313   3.640
  285    HB2  ARG  40           HB2      ARG  40  -6.371   4.424   6.439
  286    HB3  ARG  40           HB1      ARG  40  -5.393   5.133   5.167
  287    HG2  ARG  40           HG2      ARG  40  -7.414   5.475   3.819
  288    HG3  ARG  40           HG1      ARG  40  -8.378   4.800   5.131
  289    HD2  ARG  40           HD2      ARG  40  -7.535   6.605   6.610
  290    HD3  ARG  40           HD1      ARG  40  -6.705   7.305   5.221
  291    HE   ARG  40           HE       ARG  40  -9.502   6.911   4.755
  292   HH11  ARG  40          HH11      ARG  40  -7.163   9.066   6.213
  293   HH12  ARG  40          HH12      ARG  40  -8.173  10.471   6.076
  294   HH21  ARG  40          HH21      ARG  40 -10.850   8.757   4.585
  295   HH22  ARG  40          HH22      ARG  40 -10.278  10.292   5.152
  296    H    CYS  41           HN       CYS  41  -4.267   2.414   3.266
  297    HA   CYS  41           HA       CYS  41  -2.481   1.827   5.494
  298    HB2  CYS  41           HB2      CYS  41  -3.469  -0.011   3.395
  299    HB3  CYS  41           HB1      CYS  41  -1.808  -0.202   3.896
  300    H    TRP  42           HN       TRP  42  -0.264   2.309   5.116
  301    HA   TRP  42           HA       TRP  42   0.391   3.787   2.674
  302    HB2  TRP  42           HB2      TRP  42   1.906   3.490   5.271
  303    HB3  TRP  42           HB1      TRP  42   2.359   4.546   3.944
  304    HD1  TRP  42           HD1      TRP  42  -0.584   4.140   6.447
  305    HE1  TRP  42           HE1      TRP  42  -1.495   6.491   6.967
  306    HE3  TRP  42           HE3      TRP  42   2.391   6.867   3.322
  307    HZ2  TRP  42           HZ2      TRP  42  -1.009   9.151   6.143
  308    HZ3  TRP  42           HZ3      TRP  42   2.107   9.294   3.239
  309    HH2  TRP  42           HH2      TRP  42   0.446  10.423   4.623
  310    H    CYS  43           HN       CYS  43   1.276   2.488   1.004
  311    HA   CYS  43           HA       CYS  43   3.139   0.375   1.746
  312    HB2  CYS  43           HB2      CYS  43   2.329   1.348  -0.996
  313    HB3  CYS  43           HB1      CYS  43   3.496   0.079  -0.720
  314    H    THR  44           HN       THR  44   5.216   0.611   1.973
  315    HA   THR  44           HA       THR  44   6.489   3.107   1.119
  316    HB   THR  44           HB       THR  44   7.636   1.155   3.107
  317    HG1  THR  44           HG1      THR  44   6.290   3.455   3.987
  318   HG21  THR  44          HG21      THR  44   8.573   3.444   3.929
  319   HG22  THR  44          HG22      THR  44   8.197   3.965   2.282
  320   HG23  THR  44          HG23      THR  44   9.305   2.623   2.552
  321    H    ASN  45           HN       ASN  45   8.078   3.080  -0.317
  322    HA   ASN  45           HA       ASN  45   9.794   0.793  -0.677
  323    HB2  ASN  45           HB2      ASN  45   7.776   0.392  -2.189
  324    HB3  ASN  45           HB1      ASN  45   8.291   1.804  -3.100
  325   HD21  ASN  45          HD21      ASN  45   9.165  -1.445  -2.126
  326   HD22  ASN  45          HD22      ASN  45  10.287  -1.729  -3.406
  327    H    ARG  46           HN       ARG  46  10.757   1.850  -3.267
  328    HA   ARG  46           HA       ARG  46  11.942   4.352  -2.256
  329    HB2  ARG  46           HB2      ARG  46  13.252   2.549  -4.274
  330    HB3  ARG  46           HB1      ARG  46  13.987   3.780  -3.255
  331    HG2  ARG  46           HG2      ARG  46  14.245   2.389  -1.520
  332    HG3  ARG  46           HG1      ARG  46  12.708   1.569  -1.812
  333    HD2  ARG  46           HD2      ARG  46  13.679   0.310  -3.621
  334    HD3  ARG  46           HD1      ARG  46  15.205   1.183  -3.456
  335    HE   ARG  46           HE       ARG  46  14.705   0.040  -0.994
  336   HH11  ARG  46          HH11      ARG  46  15.204  -1.075  -4.275
  337   HH12  ARG  46          HH12      ARG  46  15.894  -2.591  -3.789
  338   HH21  ARG  46          HH21      ARG  46  15.602  -1.958  -0.351
  339   HH22  ARG  46          HH22      ARG  46  16.126  -3.091  -1.555
  340    H    CYS  47           HN       CYS  47  11.600   6.102  -3.465
  341    HA   CYS  47           HA       CYS  47  10.036   5.774  -5.883
  342    HB2  CYS  47           HB2      CYS  47   9.756   8.279  -5.670
  343    HB3  CYS  47           HB1      CYS  47   9.098   7.326  -4.348
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1  12.706   6.595   7.739
    2    H2   LYS   1           HT2      LYS   1  12.530   7.684   6.457
    3    H3   LYS   1           HT3      LYS   1  13.861   6.643   6.506
    4    HA   LYS   1           HA       LYS   1  12.443   4.735   6.240
    5    HB2  LYS   1           HB2      LYS   1  10.081   4.972   5.818
    6    HB3  LYS   1           HB1      LYS   1  10.456   5.755   7.346
    7    HG2  LYS   1           HG2      LYS   1  10.426   7.927   6.257
    8    HG3  LYS   1           HG1      LYS   1  10.088   7.152   4.709
    9    HD2  LYS   1           HD2      LYS   1   8.000   6.217   5.731
   10    HD3  LYS   1           HD1      LYS   1   8.323   7.215   7.152
   11    HE2  LYS   1           HE2      LYS   1   8.304   9.216   5.706
   12    HE3  LYS   1           HE1      LYS   1   7.884   8.193   4.334
   13    HZ1  LYS   1           HZ1      LYS   1   5.913   9.193   5.202
   14    HZ2  LYS   1           HZ2      LYS   1   6.253   8.658   6.769
   15    HZ3  LYS   1           HZ3      LYS   1   5.853   7.538   5.563
   16    H    THR   2           HN       THR   2  11.030   4.402   4.084
   17    HA   THR   2           HA       THR   2  12.548   5.737   1.968
   18    HB   THR   2           HB       THR   2  11.384   3.704   0.719
   19    HG1  THR   2           HG1      THR   2  12.026   2.349   3.050
   20   HG21  THR   2          HG21      THR   2  13.476   2.445   1.136
   21   HG22  THR   2          HG22      THR   2  13.868   3.595   2.417
   22   HG23  THR   2          HG23      THR   2  13.762   4.140   0.744
   23    H    CYS   3           HN       CYS   3  11.150   5.714  -0.196
   24    HA   CYS   3           HA       CYS   3   9.216   7.701   0.079
   25    HB2  CYS   3           HB2      CYS   3   9.342   5.676  -2.168
   26    HB3  CYS   3           HB1      CYS   3   8.644   7.291  -2.238
   27    H    GLU   4           HN       GLU   4   7.321   7.579   1.058
   28    HA   GLU   4           HA       GLU   4   5.815   5.058   0.934
   29    HB2  GLU   4           HB2      GLU   4   6.859   5.223   3.120
   30    HB3  GLU   4           HB1      GLU   4   6.256   6.863   3.315
   31    HG2  GLU   4           HG2      GLU   4   3.928   5.904   3.198
   32    HG3  GLU   4           HG1      GLU   4   4.665   4.300   3.323
   33    H    ASN   5           HN       ASN   5   3.679   5.253   0.537
   34    HA   ASN   5           HA       ASN   5   2.447   7.868   0.938
   35    HB2  ASN   5           HB2      ASN   5   1.377   7.898  -1.201
   36    HB3  ASN   5           HB1      ASN   5   3.098   7.690  -1.461
   37   HD21  ASN   5          HD21      ASN   5  -0.004   6.113  -1.478
   38   HD22  ASN   5          HD22      ASN   5   0.461   4.779  -2.486
   39    H    LEU   6           HN       LEU   6   0.200   7.794   1.134
   40    HA   LEU   6           HA       LEU   6  -0.735   5.269   2.208
   41    HB2  LEU   6           HB2      LEU   6  -1.061   7.796   3.107
   42    HB3  LEU   6           HB1      LEU   6  -2.530   7.613   2.167
   43    HG   LEU   6           HG       LEU   6  -1.652   5.932   4.534
   44   HD11  LEU   6          HD11      LEU   6  -3.754   6.758   5.491
   45   HD12  LEU   6          HD12      LEU   6  -4.033   7.728   4.046
   46   HD13  LEU   6          HD13      LEU   6  -2.657   8.079   5.092
   47   HD21  LEU   6          HD21      LEU   6  -3.880   5.513   2.569
   48   HD22  LEU   6          HD22      LEU   6  -3.870   4.823   4.194
   49   HD23  LEU   6          HD23      LEU   6  -2.599   4.388   3.049
   50    H    SER   7           HN       SER   7  -1.749   3.925   0.966
   51    HA   SER   7           HA       SER   7  -2.968   4.873  -1.506
   52    HB2  SER   7           HB2      SER   7  -1.346   2.855  -1.333
   53    HB3  SER   7           HB1      SER   7  -2.720   1.991  -0.647
   54    HG   SER   7           HG       SER   7  -3.148   3.401  -3.015
   55    H    GLY   8           HN       GLY   8  -5.041   5.347  -1.472
   56    HA2  GLY   8           HA2      GLY   8  -7.126   3.749  -0.722
   57    HA3  GLY   8           HA1      GLY   8  -6.726   4.646   0.735
   58    H    THR   9           HN       THR   9  -8.029   6.309   1.006
   59    HA   THR   9           HA       THR   9  -9.491   7.506  -1.108
   60    HB   THR   9           HB       THR   9 -10.443   7.507   1.104
   61    HG1  THR   9           HG1      THR   9 -11.049   9.294  -0.131
   62   HG21  THR   9          HG21      THR   9  -8.415   7.552   2.444
   63   HG22  THR   9          HG22      THR   9  -9.493   8.859   2.934
   64   HG23  THR   9          HG23      THR   9  -8.086   9.207   1.928
   65    H    PHE  10           HN       PHE  10  -6.568   8.463   0.675
   66    HA   PHE  10           HA       PHE  10  -6.325  10.854  -0.965
   67    HB2  PHE  10           HB2      PHE  10  -5.834  10.840   1.524
   68    HB3  PHE  10           HB1      PHE  10  -4.437   9.833   1.170
   69    HD1  PHE  10           HD1      PHE  10  -2.490  11.015   1.381
   70    HD2  PHE  10           HD2      PHE  10  -5.869  12.919  -0.373
   71    HE1  PHE  10           HE1      PHE  10  -1.148  13.042   0.997
   72    HE2  PHE  10           HE2      PHE  10  -4.530  14.944  -0.766
   73    HZ   PHE  10           HZ       PHE  10  -2.166  15.006  -0.081
   74    H    LYS  11           HN       LYS  11  -4.555  11.145  -2.399
   75    HA   LYS  11           HA       LYS  11  -2.911  10.551  -3.865
   76    HB2  LYS  11           HB2      LYS  11  -2.405   8.353  -1.851
   77    HB3  LYS  11           HB1      LYS  11  -1.315   8.813  -3.150
   78    HG2  LYS  11           HG2      LYS  11  -0.638  10.721  -2.101
   79    HG3  LYS  11           HG1      LYS  11  -2.158  10.912  -1.232
   80    HD2  LYS  11           HD2      LYS  11  -1.566   9.485   0.436
   81    HD3  LYS  11           HD1      LYS  11  -0.471   8.575  -0.591
   82    HE2  LYS  11           HE2      LYS  11  -0.033  11.285   0.644
   83    HE3  LYS  11           HE1      LYS  11   0.849   9.800   0.990
   84    HZ1  LYS  11           HZ1      LYS  11   2.173  11.199  -0.404
   85    HZ2  LYS  11           HZ2      LYS  11   0.928  11.363  -1.533
   86    HZ3  LYS  11           HZ3      LYS  11   1.683   9.866  -1.323
   87    H    GLY  12           HN       GLY  12  -2.091   7.655  -4.211
   88    HA2  GLY  12           HA2      GLY  12  -4.224   6.985  -6.072
   89    HA3  GLY  12           HA1      GLY  12  -2.656   6.205  -5.967
   90    HA   PRO  13           HA       PRO  13  -5.984   3.911  -3.370
   91    HB2  PRO  13           HB2      PRO  13  -7.710   2.833  -5.122
   92    HB3  PRO  13           HB1      PRO  13  -7.953   4.447  -4.442
   93    HG2  PRO  13           HG2      PRO  13  -6.863   3.659  -7.116
   94    HG3  PRO  13           HG1      PRO  13  -7.999   4.959  -6.712
   95    HD2  PRO  13           HD2      PRO  13  -5.322   5.341  -7.145
   96    HD3  PRO  13           HD1      PRO  13  -6.319   6.399  -6.129
   97    H    CYS  14           HN       CYS  14  -6.504   1.484  -3.557
   98    HA   CYS  14           HA       CYS  14  -4.652   0.079  -5.319
   99    HB2  CYS  14           HB2      CYS  14  -3.417   0.522  -3.241
  100    HB3  CYS  14           HB1      CYS  14  -4.682  -0.268  -2.318
  101    H    ILE  15           HN       ILE  15  -6.476  -0.995  -2.445
  102    HA   ILE  15           HA       ILE  15  -8.196  -2.654  -4.113
  103    HB   ILE  15           HB       ILE  15  -7.585  -4.691  -2.831
  104   HG12  ILE  15          HG12      ILE  15  -5.455  -2.829  -1.799
  105   HG13  ILE  15          HG11      ILE  15  -6.589  -3.811  -0.880
  106   HG21  ILE  15          HG21      ILE  15  -6.733  -4.392  -5.079
  107   HG22  ILE  15          HG22      ILE  15  -5.509  -5.164  -4.072
  108   HG23  ILE  15          HG23      ILE  15  -5.375  -3.449  -4.466
  109   HD11  ILE  15          HD11      ILE  15  -4.264  -4.803  -2.491
  110   HD12  ILE  15          HD12      ILE  15  -5.422  -5.822  -1.639
  111   HD13  ILE  15          HD13      ILE  15  -4.380  -4.724  -0.735
  112    HA   PRO  16           HA       PRO  16 -10.757  -1.854  -0.564
  113    HB2  PRO  16           HB2      PRO  16 -13.056  -2.711  -1.607
  114    HB3  PRO  16           HB1      PRO  16 -12.220  -1.305  -2.273
  115    HG2  PRO  16           HG2      PRO  16 -12.465  -4.047  -3.363
  116    HG3  PRO  16           HG1      PRO  16 -12.247  -2.513  -4.218
  117    HD2  PRO  16           HD2      PRO  16 -10.249  -4.443  -3.532
  118    HD3  PRO  16           HD1      PRO  16 -10.021  -2.882  -4.337
  119    H    ASP  17           HN       ASP  17  -9.228  -4.339  -0.263
  120    HA   ASP  17           HA       ASP  17 -11.345  -6.123   0.751
  121    HB2  ASP  17           HB2      ASP  17 -10.030  -7.113  -1.060
  122    HB3  ASP  17           HB1      ASP  17  -8.553  -6.856  -0.138
  123    H    GLY  18           HN       GLY  18  -8.521  -4.331   1.672
  124    HA2  GLY  18           HA2      GLY  18  -8.170  -3.740   3.962
  125    HA3  GLY  18           HA1      GLY  18  -8.978  -5.216   4.437
  126    H    ASN  19           HN       ASN  19  -7.219  -6.443   2.219
  127    HA   ASN  19           HA       ASN  19  -5.051  -7.279   3.862
  128    HB2  ASN  19           HB2      ASN  19  -4.464  -8.663   1.920
  129    HB3  ASN  19           HB1      ASN  19  -6.169  -8.779   2.317
  130   HD21  ASN  19          HD21      ASN  19  -6.629  -6.080   1.067
  131   HD22  ASN  19          HD22      ASN  19  -6.673  -6.383  -0.626
  132    H    CYS  20           HN       CYS  20  -4.614  -4.604   3.731
  133    HA   CYS  20           HA       CYS  20  -3.217  -3.677   1.536
  134    HB2  CYS  20           HB2      CYS  20  -2.415  -1.867   2.898
  135    HB3  CYS  20           HB1      CYS  20  -4.090  -2.152   3.272
  136    H    ASN  21           HN       ASN  21  -1.839  -4.747   4.613
  137    HA   ASN  21           HA       ASN  21   0.820  -4.432   4.007
  138    HB2  ASN  21           HB2      ASN  21  -0.361  -6.626   5.715
  139    HB3  ASN  21           HB1      ASN  21   1.291  -6.052   5.788
  140   HD21  ASN  21          HD21      ASN  21   0.524  -3.275   5.497
  141   HD22  ASN  21          HD22      ASN  21  -0.195  -2.823   6.994
  142    H    LYS  22           HN       LYS  22  -1.006  -7.468   3.776
  143    HA   LYS  22           HA       LYS  22   1.197  -8.917   2.748
  144    HB2  LYS  22           HB2      LYS  22  -0.793 -10.547   2.089
  145    HB3  LYS  22           HB1      LYS  22  -0.236 -10.373   3.745
  146    HG2  LYS  22           HG2      LYS  22  -2.067  -8.880   4.244
  147    HG3  LYS  22           HG1      LYS  22  -2.612  -8.922   2.563
  148    HD2  LYS  22           HD2      LYS  22  -3.143 -11.251   2.732
  149    HD3  LYS  22           HD1      LYS  22  -2.394 -11.363   4.325
  150    HE2  LYS  22           HE2      LYS  22  -4.778  -9.631   3.699
  151    HE3  LYS  22           HE1      LYS  22  -4.896 -11.269   4.335
  152    HZ1  LYS  22           HZ1      LYS  22  -3.737 -10.593   6.302
  153    HZ2  LYS  22           HZ2      LYS  22  -5.039  -9.542   6.058
  154    HZ3  LYS  22           HZ3      LYS  22  -3.469  -9.044   5.683
  155    H    HIS  23           HN       HIS  23  -1.349  -7.087   1.139
  156    HA   HIS  23           HA       HIS  23  -1.105  -8.399  -1.352
  157    HB2  HIS  23           HB2      HIS  23  -2.963  -6.804  -0.657
  158    HB3  HIS  23           HB1      HIS  23  -1.851  -5.501  -1.066
  159    HD1  HIS  23           HD1      HIS  23  -1.463  -5.014  -3.546
  160    HD2  HIS  23           HD2      HIS  23  -3.889  -8.320  -2.869
  161    HE1  HIS  23           HE1      HIS  23  -2.449  -5.595  -5.781
  162    HE2  HIS  23           HE2      HIS  23  -3.739  -7.724  -5.379
  163    H    CYS  24           HN       CYS  24   0.361  -5.341  -0.211
  164    HA   CYS  24           HA       CYS  24   1.999  -4.901  -2.441
  165    HB2  CYS  24           HB2      CYS  24   2.150  -4.114   0.420
  166    HB3  CYS  24           HB1      CYS  24   3.639  -4.027  -0.505
  167    H    ARG  25           HN       ARG  25   2.765  -6.695   0.555
  168    HA   ARG  25           HA       ARG  25   5.348  -7.227  -0.288
  169    HB2  ARG  25           HB2      ARG  25   3.687  -7.985   1.994
  170    HB3  ARG  25           HB1      ARG  25   5.085  -9.006   1.670
  171    HG2  ARG  25           HG2      ARG  25   5.964  -7.323   3.028
  172    HG3  ARG  25           HG1      ARG  25   6.315  -6.803   1.373
  173    HD2  ARG  25           HD2      ARG  25   5.422  -4.849   2.250
  174    HD3  ARG  25           HD1      ARG  25   4.066  -5.667   1.472
  175    HE   ARG  25           HE       ARG  25   3.132  -6.125   3.546
  176   HH11  ARG  25          HH11      ARG  25   6.335  -4.750   3.932
  177   HH12  ARG  25          HH12      ARG  25   6.167  -4.502   5.636
  178   HH21  ARG  25          HH21      ARG  25   2.934  -5.825   5.811
  179   HH22  ARG  25          HH22      ARG  25   4.227  -5.094   6.702
  180    H    ASN  26           HN       ASN  26   2.468  -9.132  -0.612
  181    HA   ASN  26           HA       ASN  26   3.925 -11.519  -1.330
  182    HB2  ASN  26           HB2      ASN  26   0.996 -10.812  -1.355
  183    HB3  ASN  26           HB1      ASN  26   1.587 -12.311  -2.051
  184   HD21  ASN  26          HD21      ASN  26   3.092 -10.908   0.732
  185   HD22  ASN  26          HD22      ASN  26   2.542 -12.077   1.876
  186    H    ASN  27           HN       ASN  27   2.242  -8.935  -2.990
  187    HA   ASN  27           HA       ASN  27   2.570 -10.230  -5.558
  188    HB2  ASN  27           HB2      ASN  27   1.347  -7.573  -4.800
  189    HB3  ASN  27           HB1      ASN  27   1.394  -8.215  -6.439
  190   HD21  ASN  27          HD21      ASN  27   0.003  -8.529  -3.265
  191   HD22  ASN  27          HD22      ASN  27  -1.274  -9.619  -3.725
  192    H    GLU  28           HN       GLU  28   3.684  -7.203  -4.027
  193    HA   GLU  28           HA       GLU  28   5.590  -6.938  -6.258
  194    HB2  GLU  28           HB2      GLU  28   3.740  -5.205  -5.919
  195    HB3  GLU  28           HB1      GLU  28   4.627  -4.693  -4.493
  196    HG2  GLU  28           HG2      GLU  28   5.182  -3.260  -6.322
  197    HG3  GLU  28           HG1      GLU  28   6.590  -4.251  -5.933
  198    H    HIS  29           HN       HIS  29   5.231  -7.079  -2.812
  199    HA   HIS  29           HA       HIS  29   6.690  -7.516  -1.187
  200    HB2  HIS  29           HB2      HIS  29   7.870  -8.937  -2.958
  201    HB3  HIS  29           HB1      HIS  29   9.025  -7.601  -3.053
  202    HD1  HIS  29           HD1      HIS  29   7.328  -9.370  -0.155
  203    HD2  HIS  29           HD2      HIS  29  11.109  -8.164  -1.383
  204    HE1  HIS  29           HE1      HIS  29   8.804  -9.717   1.825
  205    HE2  HIS  29           HE2      HIS  29  11.086  -8.919   1.097
  206    H    LEU  30           HN       LEU  30   5.951  -5.017  -1.323
  207    HA   LEU  30           HA       LEU  30   8.270  -3.303  -1.469
  208    HB2  LEU  30           HB2      LEU  30   5.522  -2.524  -0.533
  209    HB3  LEU  30           HB1      LEU  30   6.824  -1.462  -1.018
  210    HG   LEU  30           HG       LEU  30   5.060  -3.168  -2.751
  211   HD11  LEU  30          HD11      LEU  30   5.814  -0.253  -2.769
  212   HD12  LEU  30          HD12      LEU  30   4.280  -0.931  -2.220
  213   HD13  LEU  30          HD13      LEU  30   4.738  -1.038  -3.924
  214   HD21  LEU  30          HD21      LEU  30   6.475  -2.582  -4.659
  215   HD22  LEU  30          HD22      LEU  30   7.331  -3.599  -3.500
  216   HD23  LEU  30          HD23      LEU  30   7.655  -1.865  -3.561
  217    H    LEU  31           HN       LEU  31   7.879  -1.479   0.540
  218    HA   LEU  31           HA       LEU  31   9.285  -3.049   2.546
  219    HB2  LEU  31           HB2      LEU  31   9.045  -0.058   2.392
  220    HB3  LEU  31           HB1      LEU  31  10.293  -0.997   3.192
  221    HG   LEU  31           HG       LEU  31   9.838  -0.749   0.227
  222   HD11  LEU  31          HD11      LEU  31  12.121   0.124   1.983
  223   HD12  LEU  31          HD12      LEU  31  10.947   1.175   1.194
  224   HD13  LEU  31          HD13      LEU  31  12.084   0.237   0.226
  225   HD21  LEU  31          HD21      LEU  31  11.876  -2.139   0.005
  226   HD22  LEU  31          HD22      LEU  31  10.479  -2.998   0.654
  227   HD23  LEU  31          HD23      LEU  31  11.778  -2.484   1.734
  228    H    SER  32           HN       SER  32   6.744  -0.493   2.629
  229    HA   SER  32           HA       SER  32   6.088  -1.403   5.349
  230    HB2  SER  32           HB2      SER  32   6.123   1.087   4.672
  231    HB3  SER  32           HB1      SER  32   4.612   0.742   3.846
  232    HG   SER  32           HG       SER  32   4.392   1.533   6.036
  233    H    GLY  33           HN       GLY  33   4.999  -1.537   2.121
  234    HA2  GLY  33           HA2      GLY  33   3.545  -2.872   1.061
  235    HA3  GLY  33           HA1      GLY  33   3.622  -3.915   2.456
  236    H    ARG  34           HN       ARG  34   2.364  -0.767   3.161
  237    HA   ARG  34           HA       ARG  34  -0.182  -1.975   3.735
  238    HB2  ARG  34           HB2      ARG  34   1.312   0.447   4.254
  239    HB3  ARG  34           HB1      ARG  34  -0.380   0.806   4.034
  240    HG2  ARG  34           HG2      ARG  34  -0.905  -0.770   5.848
  241    HG3  ARG  34           HG1      ARG  34   0.816  -1.120   6.029
  242    HD2  ARG  34           HD2      ARG  34   1.275   1.150   6.662
  243    HD3  ARG  34           HD1      ARG  34  -0.386   1.649   6.299
  244    HE   ARG  34           HE       ARG  34  -0.940  -0.049   8.161
  245   HH11  ARG  34          HH11      ARG  34   1.919   1.988   8.100
  246   HH12  ARG  34          HH12      ARG  34   2.058   2.047   9.826
  247   HH21  ARG  34          HH21      ARG  34  -0.750   0.036  10.422
  248   HH22  ARG  34          HH22      ARG  34   0.544   0.936  11.148
  249    H    CYS  35           HN       CYS  35  -0.710  -2.608   1.377
  250    HA   CYS  35           HA       CYS  35  -1.585  -0.341  -0.249
  251    HB2  CYS  35           HB2      CYS  35  -0.173  -2.403  -1.057
  252    HB3  CYS  35           HB1      CYS  35  -1.760  -3.138  -1.241
  253    H    ARG  36           HN       ARG  36  -3.688   0.394   0.151
  254    HA   ARG  36           HA       ARG  36  -5.753  -1.532  -0.554
  255    HB2  ARG  36           HB2      ARG  36  -5.727  -0.068   2.038
  256    HB3  ARG  36           HB1      ARG  36  -7.239  -0.540   1.284
  257    HG2  ARG  36           HG2      ARG  36  -6.682  -2.814   1.379
  258    HG3  ARG  36           HG1      ARG  36  -5.045  -2.460   1.885
  259    HD2  ARG  36           HD2      ARG  36  -7.587  -2.234   3.406
  260    HD3  ARG  36           HD1      ARG  36  -6.131  -3.098   3.842
  261    HE   ARG  36           HE       ARG  36  -5.803  -0.247   3.775
  262   HH11  ARG  36          HH11      ARG  36  -6.699  -3.037   5.707
  263   HH12  ARG  36          HH12      ARG  36  -6.535  -2.209   7.220
  264   HH21  ARG  36          HH21      ARG  36  -5.627   0.866   5.820
  265   HH22  ARG  36          HH22      ARG  36  -5.951  -0.012   7.281
  266    H    ASP  37           HN       ASP  37  -8.005  -0.320  -0.452
  267    HA   ASP  37           HA       ASP  37  -7.755   2.328  -1.706
  268    HB2  ASP  37           HB2      ASP  37  -8.110   0.970  -3.585
  269    HB3  ASP  37           HB1      ASP  37  -9.210  -0.096  -2.720
  270    H    ASP  38           HN       ASP  38 -10.419   0.102  -0.888
  271    HA   ASP  38           HA       ASP  38 -12.214   2.001   0.067
  272    HB2  ASP  38           HB2      ASP  38 -12.781  -0.368  -0.439
  273    HB3  ASP  38           HB1      ASP  38 -11.912  -0.865   1.007
  274    H    PHE  39           HN       PHE  39 -10.021  -0.071   1.873
  275    HA   PHE  39           HA       PHE  39 -10.051   1.746   4.156
  276    HB2  PHE  39           HB2      PHE  39  -8.335  -0.710   3.859
  277    HB3  PHE  39           HB1      PHE  39  -8.899   0.052   5.339
  278    HD1  PHE  39           HD1      PHE  39  -9.739  -2.256   2.641
  279    HD2  PHE  39           HD2      PHE  39 -11.162  -0.308   6.150
  280    HE1  PHE  39           HE1      PHE  39 -11.631  -3.825   2.743
  281    HE2  PHE  39           HE2      PHE  39 -13.053  -1.879   6.255
  282    HZ   PHE  39           HZ       PHE  39 -13.290  -3.637   4.551
  283    H    ARG  40           HN       ARG  40  -7.756   2.378   4.967
  284    HA   ARG  40           HA       ARG  40  -6.132   2.912   2.577
  285    HB2  ARG  40           HB2      ARG  40  -5.633   5.162   3.517
  286    HB3  ARG  40           HB1      ARG  40  -7.323   4.935   3.106
  287    HG2  ARG  40           HG2      ARG  40  -7.843   4.537   5.458
  288    HG3  ARG  40           HG1      ARG  40  -6.144   4.777   5.869
  289    HD2  ARG  40           HD2      ARG  40  -6.257   7.059   5.004
  290    HD3  ARG  40           HD1      ARG  40  -7.953   6.819   4.585
  291    HE   ARG  40           HE       ARG  40  -7.558   6.262   7.319
  292   HH11  ARG  40          HH11      ARG  40  -7.651   8.955   5.090
  293   HH12  ARG  40          HH12      ARG  40  -8.175  10.096   6.289
  294   HH21  ARG  40          HH21      ARG  40  -8.248   7.759   8.901
  295   HH22  ARG  40          HH22      ARG  40  -8.520   9.413   8.453
  296    H    CYS  41           HN       CYS  41  -4.131   2.335   2.673
  297    HA   CYS  41           HA       CYS  41  -2.783   2.081   5.267
  298    HB2  CYS  41           HB2      CYS  41  -3.548   0.007   3.404
  299    HB3  CYS  41           HB1      CYS  41  -1.819  -0.011   3.658
  300    H    TRP  42           HN       TRP  42  -0.561   2.767   5.262
  301    HA   TRP  42           HA       TRP  42   0.501   4.082   2.900
  302    HB2  TRP  42           HB2      TRP  42   1.721   3.630   5.632
  303    HB3  TRP  42           HB1      TRP  42   2.458   4.592   4.364
  304    HD1  TRP  42           HD1      TRP  42  -0.392   4.668   6.909
  305    HE1  TRP  42           HE1      TRP  42  -1.184   7.099   7.192
  306    HE3  TRP  42           HE3      TRP  42   2.342   6.861   3.190
  307    HZ2  TRP  42           HZ2      TRP  42  -0.710   9.613   5.993
  308    HZ3  TRP  42           HZ3      TRP  42   2.121   9.268   2.824
  309    HH2  TRP  42           HH2      TRP  42   0.616  10.623   4.183
  310    H    CYS  43           HN       CYS  43   1.284   2.631   1.275
  311    HA   CYS  43           HA       CYS  43   3.125   0.546   2.220
  312    HB2  CYS  43           HB2      CYS  43   1.393  -0.138   0.580
  313    HB3  CYS  43           HB1      CYS  43   2.116   0.942  -0.614
  314    H    THR  44           HN       THR  44   5.236   0.670   2.011
  315    HA   THR  44           HA       THR  44   6.345   3.143   0.885
  316    HB   THR  44           HB       THR  44   7.618   1.380   2.985
  317    HG1  THR  44           HG1      THR  44   6.788   3.496   4.182
  318   HG21  THR  44          HG21      THR  44   8.797   3.523   3.522
  319   HG22  THR  44          HG22      THR  44   8.132   4.177   2.024
  320   HG23  THR  44          HG23      THR  44   9.220   2.789   1.977
  321    H    ASN  45           HN       ASN  45   8.171   3.099  -0.367
  322    HA   ASN  45           HA       ASN  45   9.681   0.710  -0.892
  323    HB2  ASN  45           HB2      ASN  45   7.633   0.414  -2.325
  324    HB3  ASN  45           HB1      ASN  45   8.053   1.906  -3.154
  325   HD21  ASN  45          HD21      ASN  45   9.034  -1.393  -2.540
  326   HD22  ASN  45          HD22      ASN  45  10.047  -1.553  -3.933
  327    H    ARG  46           HN       ARG  46  11.176   1.400  -2.994
  328    HA   ARG  46           HA       ARG  46  12.171   4.071  -2.294
  329    HB2  ARG  46           HB2      ARG  46  13.546   2.048  -4.065
  330    HB3  ARG  46           HB1      ARG  46  14.253   3.451  -3.289
  331    HG2  ARG  46           HG2      ARG  46  15.025   1.910  -1.847
  332    HG3  ARG  46           HG1      ARG  46  13.427   2.110  -1.119
  333    HD2  ARG  46           HD2      ARG  46  12.588   0.216  -2.347
  334    HD3  ARG  46           HD1      ARG  46  14.117   0.045  -3.197
  335    HE   ARG  46           HE       ARG  46  14.360  -0.133  -0.334
  336   HH11  ARG  46          HH11      ARG  46  13.683  -1.909  -3.277
  337   HH12  ARG  46          HH12      ARG  46  14.214  -3.428  -2.634
  338   HH21  ARG  46          HH21      ARG  46  15.059  -2.132   0.516
  339   HH22  ARG  46          HH22      ARG  46  14.993  -3.557  -0.472
  340    H    CYS  47           HN       CYS  47  11.583   5.697  -3.588
  341    HA   CYS  47           HA       CYS  47  10.334   5.033  -6.122
  342    HB2  CYS  47           HB2      CYS  47   9.542   7.380  -6.101
  343    HB3  CYS  47           HB1      CYS  47   9.068   6.485  -4.665