*HEADER    IMMUNE SYSTEM                           19-AUG-14   2MTI              
*TITLE     NMR STRUCTURE OF THE LYMPHOCYTE RECEPTOR NKR-P1A                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KILLER CELL LECTIN-LIKE RECEPTOR SUBFAMILY B MEMBER 1A;    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 STRAIN: C57BL/6;                                                     
*SOURCE   6 GENE: KLRB1A;                                                        
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-30A(+)                                 
*KEYWDS    C-TYPE LECTIN-LIKE DOMAIN, NK CELLS, NK RECEPTOR, NKR-P1A, IMMUNE     
*KEYWDS   2 SYSTEM                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.CHMELIK, D.ROZBESKY, E.POSPISILOVA, D.ADAMEK, P.NOVAK               
*REVDAT   1   11-NOV-15 2MTI    0                                                


! NOEs assigned by ARIA
assign (resid 109 and name HG22) (resid 91 and name HA) 3.265 3.265 1.832 weight 1.000 ! spec=HCH, no=4, id=1616, vol=9.020000e+06
    or (resid  109 and name HG21) (resid   91 and name   HA)
    or (resid  109 and name HG23) (resid   91 and name   HA)
assign (resid 103 and name HB2) (resid 63 and name HN) 3.264 3.264 1.831 weight 1.000 ! spec=HCH, no=7, id=1619, vol=9.030000e+06
    or (resid  103 and name  HB1) (resid   63 and name   HN)
    or (resid  103 and name  HB3) (resid   63 and name   HN)
assign (resid 29 and name HA) (resid 28 and name HA) 3.264 3.264 1.831 weight 1.000 ! spec=HCH, no=8, id=1620, vol=9.040000e+06
assign (resid 80 and name HG22) (resid 67 and name HN) 3.263 3.263 1.831 weight 1.000 ! spec=HCH, no=10, id=1622, vol=9.040000e+06
    or (resid   80 and name HG21) (resid   67 and name   HN)
    or (resid   80 and name HG23) (resid   67 and name   HN)
assign (resid 77 and name HB1) (resid 77 and name HA) 3.262 3.262 1.83 weight 1.000 ! spec=HCH, no=14, id=1626, vol=9.070000e+06
assign (resid 54 and name HD22) (resid 57 and name HN) 3.261 3.261 1.83 weight 1.000 ! spec=HCH, no=16, id=1628, vol=9.070000e+06
    or (resid   54 and name HD21) (resid   57 and name   HN)
    or (resid   54 and name HD23) (resid   57 and name   HN)
assign (resid 92 and name HG22) (resid 87 and name HB1) 3.260 3.260 1.829 weight 1.000 ! spec=HCH, no=19, id=1631, vol=9.090000e+06
    or (resid   92 and name HG21) (resid   87 and name  HB1)
    or (resid   92 and name HG23) (resid   87 and name  HB1)
assign (resid 113 and name HB2) (resid 112 and name HA) 3.259 3.259 1.827 weight 1.000 ! spec=HCH, no=21, id=1633, vol=9.120000e+06
assign (resid 123 and name HE22) (resid 43 and name HB1) 3.259 3.259 1.827 weight 1.000 ! spec=HCH, no=24, id=1636, vol=9.120000e+06
assign (resid 104 and name HD12) (resid 64 and name HE1) 3.258 3.258 1.827 weight 1.000 ! spec=HCH, no=26, id=1638, vol=9.120000e+06
    or (resid  104 and name HD12) (resid   64 and name  HE2)
    or (resid  104 and name HD11) (resid   64 and name  HE1)
    or (resid  104 and name HD11) (resid   64 and name  HE2)
    or (resid  104 and name HD13) (resid   64 and name  HE1)
    or (resid  104 and name HD13) (resid   64 and name  HE2)
assign (resid 60 and name HA) (resid 61 and name HA) 3.258 3.258 1.827 weight 1.000 ! spec=HCH, no=28, id=1640, vol=9.130000e+06
assign (resid 12 and name HB2) (resid 5 and name HA) 3.257 3.257 1.826 weight 1.000 ! spec=HCH, no=34, id=1646, vol=9.150000e+06
    or (resid   12 and name  HB1) (resid    5 and name   HA)
assign (resid 69 and name HA) (resid 69 and name HD2) 3.257 3.257 1.826 weight 1.000 ! spec=HCH, no=35, id=1647, vol=9.150000e+06
assign (resid 13 and name HA) (resid 14 and name HB2) 3.256 3.256 1.826 weight 1.000 ! spec=HCH, no=38, id=1650, vol=9.160000e+06
    or (resid   13 and name   HA) (resid   14 and name  HB1)
assign (resid 85 and name HD22) (resid 77 and name HE3) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=40, id=1652, vol=9.160000e+06
    or (resid   85 and name HD21) (resid   77 and name  HE3)
    or (resid   85 and name HD23) (resid   77 and name  HE3)
assign (resid 104 and name HG22) (resid 60 and name HN) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=42, id=1654, vol=9.160000e+06
    or (resid  104 and name HG21) (resid   60 and name   HN)
    or (resid  104 and name HG23) (resid   60 and name   HN)
assign (resid 49 and name HA) (resid 52 and name HD1) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=43, id=1655, vol=9.170000e+06
    or (resid   49 and name   HA) (resid   52 and name  HD2)
assign (resid 44 and name HD12) (resid 50 and name HN) 3.255 3.255 1.824 weight 1.000 ! spec=HCH, no=50, id=1662, vol=9.180000e+06
    or (resid   44 and name HD11) (resid   50 and name   HN)
    or (resid   44 and name HD13) (resid   50 and name   HN)
assign (resid 70 and name HA) (resid 71 and name HG21) 3.254 3.254 1.824 weight 1.000 ! spec=HCH, no=52, id=1664, vol=9.190000e+06
    or (resid   70 and name   HA) (resid   71 and name HG22)
    or (resid   70 and name   HA) (resid   71 and name HG23)
assign (resid 72 and name HB1) (resid 73 and name HB2) 3.254 3.254 1.824 weight 1.000 ! spec=HCH, no=54, id=1666, vol=9.190000e+06
    or (resid   72 and name  HB1) (resid   73 and name  HB1)
assign (resid 10 and name HB2) (resid 10 and name HE3) 3.253 3.253 1.823 weight 1.000 ! spec=HCH, no=57, id=1669, vol=9.210000e+06
assign (resid 31 and name HA) (resid 34 and name HB2) 3.253 3.253 1.823 weight 1.000 ! spec=HCH, no=58, id=1670, vol=9.220000e+06
assign (resid 124 and name HB2) (resid 39 and name HA) 3.252 3.252 1.822 weight 1.000 ! spec=HCH, no=60, id=1672, vol=9.230000e+06
    or (resid   39 and name  HB1) (resid   40 and name   HB)
    or (resid   39 and name  HB3) (resid   40 and name   HB)
assign (resid 42 and name HA) (resid 121 and name HG22) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=66, id=1678, vol=9.260000e+06
    or (resid   42 and name   HA) (resid  121 and name HG21)
    or (resid   42 and name   HA) (resid  121 and name HG23)
assign (resid 119 and name HA) (resid 23 and name HA) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=67, id=1679, vol=9.260000e+06
assign (resid 80 and name HG22) (resid 79 and name HA) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=68, id=1680, vol=9.270000e+06
    or (resid   80 and name HG21) (resid   79 and name   HA)
    or (resid   80 and name HG23) (resid   79 and name   HA)
assign (resid 41 and name HD22) (resid 27 and name HA) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=76, id=1688, vol=9.300000e+06
    or (resid   41 and name HD21) (resid   27 and name   HA)
    or (resid   41 and name HD23) (resid   27 and name   HA)
assign (resid 22 and name HA) (resid 119 and name HD2) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=77, id=1689, vol=9.300000e+06
assign (resid 103 and name HA) (resid 65 and name HE3) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=78, id=1690, vol=9.300000e+06
assign (resid 60 and name HD2) (resid 57 and name HG22) 3.248 3.248 1.818 weight 1.000 ! spec=HCH, no=80, id=1692, vol=9.300000e+06
    or (resid   60 and name  HD2) (resid   57 and name HG21)
    or (resid   60 and name  HD2) (resid   57 and name HG23)
    or (resid   60 and name  HD1) (resid   57 and name HG22)
    or (resid   60 and name  HD1) (resid   57 and name HG21)
    or (resid   60 and name  HD1) (resid   57 and name HG23)
assign (resid 121 and name HG11) (resid 121 and name HA) 3.246 3.246 1.817 weight 1.000 ! spec=HCH, no=87, id=1699, vol=9.340000e+06
assign (resid 10 and name HB1) (resid 10 and name HE3) 3.244 3.244 1.815 weight 1.000 ! spec=HCH, no=95, id=1707, vol=9.370000e+06
assign (resid 120 and name HB2) (resid 21 and name HB2) 3.243 3.243 1.815 weight 1.000 ! spec=HCH, no=97, id=1709, vol=9.380000e+06
assign (resid 125 and name HG1) (resid 123 and name HE22) 3.241 3.241 1.813 weight 1.000 ! spec=HCH, no=102, id=1714, vol=9.420000e+06
assign (resid 44 and name HB) (resid 79 and name HZ2) 3.241 3.241 1.813 weight 1.000 ! spec=HCH, no=103, id=1715, vol=9.420000e+06
assign (resid 18 and name HN) (resid 10 and name HA) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=109, id=1721, vol=9.430000e+06
assign (resid 57 and name HA) (resid 58 and name HB2) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=110, id=1722, vol=9.440000e+06
    or (resid   57 and name   HA) (resid   58 and name  HB1)
assign (resid 68 and name HD22) (resid 66 and name HG12) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=112, id=1724, vol=9.440000e+06
    or (resid   68 and name HD21) (resid   66 and name HG12)
    or (resid   68 and name HD23) (resid   66 and name HG12)
assign (resid 104 and name HG11) (resid 104 and name HA) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=113, id=1725, vol=9.440000e+06
assign (resid 127 and name HB2) (resid 127 and name HE1) 3.239 3.239 1.811 weight 1.000 ! spec=HCH, no=116, id=1728, vol=9.460000e+06
    or (resid  127 and name  HB2) (resid  127 and name  HE2)
assign (resid 33 and name HB1) (resid 30 and name HA1) 3.237 3.237 1.81 weight 1.000 ! spec=HCH, no=118, id=1730, vol=9.490000e+06
assign (resid 21 and name HB1) (resid 23 and name HN) 3.235 3.235 1.808 weight 1.000 ! spec=HCH, no=123, id=1735, vol=9.530000e+06
assign (resid 3 and name HA) (resid 3 and name HE2) 3.233 3.233 1.807 weight 1.000 ! spec=HCH, no=125, id=1737, vol=9.550000e+06
    or (resid    3 and name   HA) (resid    3 and name  HE1)
assign (resid 52 and name HA) (resid 51 and name HB2) 3.231 3.231 1.805 weight 1.000 ! spec=HCH, no=130, id=1742, vol=9.590000e+06
    or (resid   52 and name   HA) (resid   51 and name  HB1)
assign (resid 127 and name HB1) (resid 127 and name HE1) 3.231 3.231 1.805 weight 1.000 ! spec=HCH, no=132, id=1744, vol=9.600000e+06
    or (resid  127 and name  HB1) (resid  127 and name  HE2)
assign (resid 80 and name HD12) (resid 81 and name HA) 3.229 3.229 1.804 weight 1.000 ! spec=HCH, no=136, id=1748, vol=9.630000e+06
    or (resid   80 and name HD11) (resid   81 and name   HA)
    or (resid   80 and name HD13) (resid   81 and name   HA)
assign (resid 78 and name HE2) (resid 71 and name HG21) 3.229 3.229 1.803 weight 1.000 ! spec=HCH, no=137, id=1749, vol=9.630000e+06
    or (resid   78 and name  HE2) (resid   71 and name HG22)
    or (resid   78 and name  HE2) (resid   71 and name HG23)
    or (resid   78 and name  HE1) (resid   71 and name HG21)
    or (resid   78 and name  HE1) (resid   71 and name HG22)
    or (resid   78 and name  HE1) (resid   71 and name HG23)
assign (resid 100 and name HN) (resid 100 and name HB2) 3.228 3.228 1.802 weight 1.000 ! spec=HCH, no=143, id=1755, vol=9.660000e+06
assign (resid 71 and name HA) (resid 69 and name HB2) 3.227 3.227 1.802 weight 1.000 ! spec=HCH, no=144, id=1756, vol=9.660000e+06
assign (resid 59 and name HB1) (resid 64 and name HZ) 3.227 3.227 1.802 weight 1.000 ! spec=HCH, no=146, id=1758, vol=9.670000e+06
assign (resid 126 and name HN) (resid 125 and name HG2) 3.226 3.226 1.801 weight 1.000 ! spec=HCH, no=149, id=1760, vol=9.680000e+06
assign (resid 50 and name HA) (resid 51 and name HN) 3.223 3.223 1.798 weight 1.000 ! spec=HCH, no=163, id=1774, vol=9.740000e+06
assign (resid 80 and name HG12) (resid 40 and name HB) 3.223 3.223 1.798 weight 1.000 ! spec=HCH, no=164, id=1775, vol=9.740000e+06
assign (resid 55 and name HN) (resid 54 and name HA) 3.222 3.222 1.798 weight 1.000 ! spec=HCH, no=165, id=1776, vol=9.750000e+06
assign (resid 83 and name HN) (resid 82 and name HA1) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=167, id=1778, vol=9.770000e+06
assign (resid 43 and name HG) (resid 43 and name HA) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=168, id=1779, vol=9.770000e+06
assign (resid 32 and name HA) (resid 31 and name HD12) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=170, id=1781, vol=9.780000e+06
    or (resid   32 and name   HA) (resid   31 and name HD11)
    or (resid   32 and name   HA) (resid   31 and name HD13)
assign (resid 122 and name HB1) (resid 19 and name HB1) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=171, id=1782, vol=9.780000e+06
assign (resid 28 and name HG1) (resid 27 and name HB2) 3.220 3.220 1.796 weight 1.000 ! spec=HCH, no=172, id=1783, vol=9.800000e+06
assign (resid 13 and name HA) (resid 18 and name HE1) 3.220 3.220 1.796 weight 1.000 ! spec=HCH, no=173, id=1784, vol=9.800000e+06
    or (resid   13 and name   HA) (resid   18 and name  HE2)
assign (resid 103 and name HA) (resid 103 and name HN) 3.219 3.219 1.795 weight 1.000 ! spec=HCH, no=177, id=1788, vol=9.820000e+06
assign (resid 10 and name HB1) (resid 6 and name HB1) 3.218 3.218 1.794 weight 1.000 ! spec=HCH, no=181, id=1792, vol=9.840000e+06
assign (resid 17 and name HB2) (resid 6 and name HB1) 3.217 3.217 1.794 weight 1.000 ! spec=HCH, no=182, id=1793, vol=9.840000e+06
assign (resid 54 and name HN) (resid 104 and name HD12) 3.216 3.216 1.793 weight 1.000 ! spec=HCH, no=184, id=1795, vol=9.860000e+06
    or (resid   54 and name   HN) (resid  104 and name HD11)
    or (resid   54 and name   HN) (resid  104 and name HD13)
assign (resid 124 and name HE2) (resid 7 and name HG1) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=189, id=1800, vol=9.900000e+06
    or (resid  124 and name  HE1) (resid    7 and name  HG1)
assign (resid 125 and name HG1) (resid 123 and name HE21) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=190, id=1801, vol=9.910000e+06
assign (resid 112 and name HG2) (resid 112 and name HA) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=191, id=1802, vol=9.910000e+06
assign (resid 29 and name HN) (resid 28 and name HB2) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=192, id=1803, vol=9.910000e+06
assign (resid 123 and name HB2) (resid 42 and name HA) 3.213 3.213 1.791 weight 1.000 ! spec=HCH, no=194, id=1805, vol=9.920000e+06
assign (resid 78 and name HN) (resid 78 and name HG2) 3.213 3.213 1.79 weight 1.000 ! spec=HCH, no=195, id=1806, vol=9.930000e+06
assign (resid 89 and name HB) (resid 90 and name HG) 3.212 3.212 1.79 weight 1.000 ! spec=HCH, no=196, id=1807, vol=9.940000e+06
assign (resid 44 and name HD12) (resid 43 and name HA) 3.211 3.211 1.789 weight 1.000 ! spec=HCH, no=203, id=1814, vol=9.970000e+06
    or (resid   44 and name HD11) (resid   43 and name   HA)
    or (resid   44 and name HD13) (resid   43 and name   HA)
assign (resid 123 and name HA) (resid 18 and name HD1) 3.209 3.209 1.787 weight 1.000 ! spec=HCH, no=207, id=1818, vol=1.000000e+07
    or (resid  123 and name   HA) (resid   18 and name  HD2)
assign (resid 102 and name HB2) (resid 111 and name HB1) 3.207 3.207 1.786 weight 1.000 ! spec=HCH, no=211, id=1822, vol=1.000000e+07
    or (resid  102 and name  HB1) (resid  111 and name  HB1)
    or (resid  102 and name  HB3) (resid  111 and name  HB1)
assign (resid 37 and name HN) (resid 36 and name HA2) 3.206 3.206 1.784 weight 1.000 ! spec=HCH, no=216, id=1827, vol=1.010000e+07
assign (resid 45 and name HN) (resid 45 and name HG1) 3.205 3.205 1.784 weight 1.000 ! spec=HCH, no=222, id=1833, vol=1.010000e+07
assign (resid 121 and name HG22) (resid 122 and name HA) 3.204 3.204 1.783 weight 1.000 ! spec=HCH, no=223, id=1834, vol=1.010000e+07
    or (resid  121 and name HG21) (resid  122 and name   HA)
    or (resid  121 and name HG23) (resid  122 and name   HA)
assign (resid 28 and name HA) (resid 31 and name HG) 3.204 3.204 1.783 weight 1.000 ! spec=HCH, no=226, id=1837, vol=1.010000e+07
assign (resid 126 and name HA) (resid 125 and name HG2) 3.203 3.203 1.782 weight 1.000 ! spec=HCH, no=230, id=1841, vol=1.010000e+07
assign (resid 123 and name HG1) (resid 16 and name HB1) 3.202 3.202 1.782 weight 1.000 ! spec=HCH, no=232, id=1843, vol=1.010000e+07
assign (resid 5 and name HN) (resid 5 and name HB2) 3.201 3.201 1.781 weight 1.000 ! spec=HCH, no=236, id=1847, vol=1.010000e+07
assign (resid 51 and name HA) (resid 53 and name HB2) 3.200 3.200 1.78 weight 1.000 ! spec=HCH, no=241, id=1852, vol=1.020000e+07
assign (resid 16 and name HG2) (resid 125 and name HA) 3.200 3.200 1.78 weight 1.000 ! spec=HCH, no=242, id=1853, vol=1.020000e+07
assign (resid 104 and name HB) (resid 104 and name HA) 3.199 3.199 1.779 weight 1.000 ! spec=HCH, no=245, id=1856, vol=1.020000e+07
assign (resid 124 and name HB1) (resid 17 and name HB1) 3.197 3.197 1.778 weight 1.000 ! spec=HCH, no=252, id=1863, vol=1.020000e+07
assign (resid 111 and name HA) (resid 111 and name HD1) 3.197 3.197 1.778 weight 1.000 ! spec=HCH, no=256, id=1867, vol=1.020000e+07
    or (resid  111 and name   HA) (resid  111 and name  HD2)
assign (resid 124 and name HB1) (resid 124 and name HA) 3.196 3.196 1.777 weight 1.000 ! spec=HCH, no=261, id=1872, vol=1.020000e+07
assign (resid 23 and name HN) (resid 22 and name HB1) 3.196 3.196 1.777 weight 1.000 ! spec=HCH, no=263, id=1874, vol=1.030000e+07
assign (resid 23 and name HA) (resid 120 and name HZ3) 3.192 3.192 1.774 weight 1.000 ! spec=HCH, no=270, id=1879, vol=1.030000e+07
assign (resid 101 and name HA) (resid 101 and name HN) 3.192 3.192 1.774 weight 1.000 ! spec=HCH, no=271, id=1880, vol=1.030000e+07
assign (resid 113 and name HB2) (resid 114 and name HN) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=273, id=1882, vol=1.030000e+07
assign (resid 24 and name HB2) (resid 119 and name HG1) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=274, id=1883, vol=1.030000e+07
assign (resid 45 and name HN) (resid 45 and name HG2) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=276, id=1885, vol=1.030000e+07
assign (resid 54 and name HD22) (resid 64 and name HE1) 3.190 3.190 1.772 weight 1.000 ! spec=HCH, no=280, id=1889, vol=1.040000e+07
    or (resid   54 and name HD22) (resid   64 and name  HE2)
    or (resid   54 and name HD21) (resid   64 and name  HE1)
    or (resid   54 and name HD21) (resid   64 and name  HE2)
    or (resid   54 and name HD23) (resid   64 and name  HE1)
    or (resid   54 and name HD23) (resid   64 and name  HE2)
assign (resid 7 and name HG2) (resid 7 and name HA) 3.189 3.189 1.772 weight 1.000 ! spec=HCH, no=281, id=1890, vol=1.040000e+07
assign (resid 80 and name HD12) (resid 31 and name HA) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=282, id=1891, vol=1.040000e+07
    or (resid   80 and name HD11) (resid   31 and name   HA)
    or (resid   80 and name HD13) (resid   31 and name   HA)
assign (resid 111 and name HA) (resid 103 and name HN) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=286, id=1895, vol=1.040000e+07
assign (resid 80 and name HD12) (resid 34 and name HB1) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=287, id=1896, vol=1.040000e+07
    or (resid   80 and name HD11) (resid   34 and name  HB1)
    or (resid   80 and name HD13) (resid   34 and name  HB1)
assign (resid 66 and name HA) (resid 121 and name HB) 3.188 3.188 1.771 weight 1.000 ! spec=HCH, no=289, id=1898, vol=1.040000e+07
assign (resid 121 and name HD12) (resid 42 and name HG1) 3.186 3.186 1.768 weight 1.000 ! spec=HCH, no=297, id=1906, vol=1.040000e+07
    or (resid  121 and name HD11) (resid   42 and name  HG1)
    or (resid  121 and name HD13) (resid   42 and name  HG1)
assign (resid 124 and name HB2) (resid 124 and name HD1) 3.185 3.185 1.768 weight 1.000 ! spec=HCH, no=299, id=1908, vol=1.050000e+07
assign (resid 39 and name HA) (resid 124 and name HA) 3.184 3.184 1.768 weight 1.000 ! spec=HCH, no=300, id=1909, vol=1.050000e+07
assign (resid 70 and name HA) (resid 70 and name HB1) 3.184 3.184 1.767 weight 1.000 ! spec=HCH, no=301, id=1910, vol=1.050000e+07
assign (resid 108 and name HB2) (resid 108 and name HE2) 3.183 3.183 1.767 weight 1.000 ! spec=HCH, no=304, id=1913, vol=1.050000e+07
    or (resid  108 and name  HB2) (resid  108 and name  HE1)
    or (resid  108 and name  HB1) (resid  108 and name  HE2)
    or (resid  108 and name  HB1) (resid  108 and name  HE1)
assign (resid 53 and name HB2) (resid 50 and name HA) 3.183 3.183 1.766 weight 1.000 ! spec=HCH, no=305, id=1914, vol=1.050000e+07
assign (resid 126 and name HD22) (resid 17 and name HN) 3.183 3.183 1.766 weight 1.000 ! spec=HCH, no=307, id=1916, vol=1.050000e+07
    or (resid  126 and name HD21) (resid   17 and name   HN)
    or (resid  126 and name HD23) (resid   17 and name   HN)
assign (resid 64 and name HB1) (resid 121 and name HB) 3.182 3.182 1.766 weight 1.000 ! spec=HCH, no=310, id=1919, vol=1.050000e+07
assign (resid 41 and name HN) (resid 41 and name HG) 3.181 3.181 1.765 weight 1.000 ! spec=HCH, no=315, id=1924, vol=1.050000e+07
assign (resid 12 and name HB2) (resid 17 and name HA) 3.180 3.180 1.764 weight 1.000 ! spec=HCH, no=319, id=1928, vol=1.060000e+07
    or (resid   12 and name  HB1) (resid   17 and name   HA)
assign (resid 16 and name HN) (resid 16 and name HB1) 3.179 3.179 1.763 weight 1.000 ! spec=HCH, no=323, id=1931, vol=1.060000e+07
assign (resid 121 and name HD12) (resid 20 and name HA) 3.178 3.178 1.763 weight 1.000 ! spec=HCH, no=324, id=1932, vol=1.060000e+07
    or (resid  121 and name HD11) (resid   20 and name   HA)
    or (resid  121 and name HD13) (resid   20 and name   HA)
assign (resid 108 and name HG1) (resid 108 and name HA) 3.178 3.178 1.762 weight 1.000 ! spec=HCH, no=327, id=1935, vol=1.060000e+07
assign (resid 19 and name HA) (resid 10 and name HA) 3.175 3.175 1.76 weight 1.000 ! spec=HCH, no=332, id=1940, vol=1.070000e+07
assign (resid 29 and name HN) (resid 26 and name HG21) 3.174 3.174 1.759 weight 1.000 ! spec=HCH, no=334, id=1942, vol=1.070000e+07
    or (resid   29 and name   HN) (resid   26 and name HG22)
    or (resid   29 and name   HN) (resid   26 and name HG23)
assign (resid 111 and name HB1) (resid 102 and name HA) 3.171 3.171 1.757 weight 1.000 ! spec=HCH, no=339, id=1947, vol=1.070000e+07
assign (resid 57 and name HD12) (resid 53 and name HA) 3.171 3.171 1.757 weight 1.000 ! spec=HCH, no=340, id=1948, vol=1.070000e+07
    or (resid   57 and name HD11) (resid   53 and name   HA)
    or (resid   57 and name HD13) (resid   53 and name   HA)
assign (resid 24 and name HB1) (resid 25 and name HA) 3.170 3.170 1.756 weight 1.000 ! spec=HCH, no=341, id=1949, vol=1.080000e+07
assign (resid 104 and name HG12) (resid 104 and name HA) 3.170 3.170 1.756 weight 1.000 ! spec=HCH, no=342, id=1950, vol=1.080000e+07
assign (resid 49 and name HB1) (resid 50 and name HN) 3.169 3.169 1.755 weight 1.000 ! spec=HCH, no=344, id=1952, vol=1.080000e+07
assign (resid 54 and name HA) (resid 104 and name HG22) 3.169 3.169 1.755 weight 1.000 ! spec=HCH, no=346, id=1954, vol=1.080000e+07
    or (resid   54 and name   HA) (resid  104 and name HG21)
    or (resid   54 and name   HA) (resid  104 and name HG23)
assign (resid 119 and name HD2) (resid 62 and name HB2) 3.168 3.168 1.754 weight 1.000 ! spec=HCH, no=350, id=1958, vol=1.080000e+07
    or (resid  119 and name  HD2) (resid   62 and name  HB1)
assign (resid 102 and name HB2) (resid 109 and name HB) 3.167 3.167 1.754 weight 1.000 ! spec=HCH, no=354, id=1962, vol=1.080000e+07
    or (resid  102 and name  HB1) (resid  109 and name   HB)
    or (resid  102 and name  HB3) (resid  109 and name   HB)
assign (resid 81 and name HN) (resid 80 and name HG22) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=355, id=1963, vol=1.080000e+07
    or (resid   81 and name   HN) (resid   80 and name HG21)
    or (resid   81 and name   HN) (resid   80 and name HG23)
assign (resid 44 and name HG12) (resid 42 and name HG1) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=356, id=1964, vol=1.080000e+07
assign (resid 43 and name HA) (resid 79 and name HB2) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=357, id=1965, vol=1.080000e+07
assign (resid 14 and name HD2) (resid 13 and name HD2) 3.165 3.165 1.752 weight 1.000 ! spec=HCH, no=359, id=1967, vol=1.090000e+07
    or (resid   14 and name  HD1) (resid   13 and name  HD2)
assign (resid 74 and name HB2) (resid 74 and name HN) 3.163 3.163 1.751 weight 1.000 ! spec=HCH, no=363, id=1971, vol=1.090000e+07
assign (resid 27 and name HB1) (resid 27 and name HD1) 3.163 3.163 1.751 weight 1.000 ! spec=HCH, no=364, id=1972, vol=1.090000e+07
assign (resid 25 and name HA) (resid 29 and name HB2) 3.163 3.163 1.75 weight 1.000 ! spec=HCH, no=365, id=1973, vol=1.090000e+07
    or (resid   25 and name   HA) (resid   29 and name  HB1)
assign (resid 54 and name HD22) (resid 53 and name HA) 3.159 3.159 1.748 weight 1.000 ! spec=HCH, no=371, id=1979, vol=1.100000e+07
    or (resid   54 and name HD21) (resid   53 and name   HA)
    or (resid   54 and name HD23) (resid   53 and name   HA)
assign (resid 126 and name HN) (resid 125 and name HB1) 3.159 3.159 1.747 weight 1.000 ! spec=HCH, no=372, id=1980, vol=1.100000e+07
assign (resid 80 and name HD12) (resid 81 and name HB1) 3.159 3.159 1.747 weight 1.000 ! spec=HCH, no=373, id=1981, vol=1.100000e+07
    or (resid   80 and name HD11) (resid   81 and name  HB1)
    or (resid   80 and name HD13) (resid   81 and name  HB1)
assign (resid 108 and name HN) (resid 108 and name HG1) 3.158 3.158 1.747 weight 1.000 ! spec=HCH, no=375, id=1983, vol=1.100000e+07
assign (resid 122 and name HB2) (resid 10 and name HH2) 3.158 3.158 1.747 weight 1.000 ! spec=HCH, no=376, id=1984, vol=1.100000e+07
assign (resid 123 and name HA) (resid 10 and name HZ3) 3.158 3.158 1.746 weight 1.000 ! spec=HCH, no=378, id=1986, vol=1.100000e+07
assign (resid 10 and name HB2) (resid 6 and name HB2) 3.157 3.157 1.746 weight 1.000 ! spec=HCH, no=379, id=1987, vol=1.100000e+07
assign (resid 13 and name HA) (resid 13 and name HD2) 3.156 3.156 1.745 weight 1.000 ! spec=HCH, no=383, id=1991, vol=1.100000e+07
assign (resid 19 and name HA) (resid 121 and name HG22) 3.154 3.154 1.744 weight 1.000 ! spec=HCH, no=388, id=1996, vol=1.110000e+07
    or (resid   19 and name   HA) (resid  121 and name HG21)
    or (resid   19 and name   HA) (resid  121 and name HG23)
assign (resid 41 and name HB1) (resid 67 and name HA2) 3.154 3.154 1.743 weight 1.000 ! spec=HCH, no=390, id=1998, vol=1.110000e+07
assign (resid 45 and name HB1) (resid 46 and name HN) 3.153 3.153 1.743 weight 1.000 ! spec=HCH, no=392, id=2000, vol=1.110000e+07
assign (resid 25 and name HA) (resid 120 and name HZ3) 3.152 3.152 1.742 weight 1.000 ! spec=HCH, no=396, id=2004, vol=1.110000e+07
assign (resid 41 and name HD22) (resid 68 and name HN) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=399, id=2007, vol=1.110000e+07
    or (resid   41 and name HD21) (resid   68 and name   HN)
    or (resid   41 and name HD23) (resid   68 and name   HN)
assign (resid 121 and name HG12) (resid 64 and name HB2) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=400, id=2008, vol=1.120000e+07
assign (resid 42 and name HB1) (resid 42 and name HA) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=401, id=2009, vol=1.120000e+07
assign (resid 41 and name HA) (resid 42 and name HB1) 3.149 3.149 1.74 weight 1.000 ! spec=HCH, no=404, id=2012, vol=1.120000e+07
assign (resid 22 and name HA) (resid 119 and name HD1) 3.149 3.149 1.74 weight 1.000 ! spec=HCH, no=406, id=2014, vol=1.120000e+07
assign (resid 80 and name HB) (resid 43 and name HD12) 3.148 3.148 1.739 weight 1.000 ! spec=HCH, no=410, id=2018, vol=1.120000e+07
    or (resid   80 and name   HB) (resid   43 and name HD11)
    or (resid   80 and name   HB) (resid   43 and name HD13)
assign (resid 53 and name HD12) (resid 20 and name HA) 3.148 3.148 1.738 weight 1.000 ! spec=HCH, no=413, id=2021, vol=1.120000e+07
    or (resid   53 and name HD11) (resid   20 and name   HA)
    or (resid   53 and name HD13) (resid   20 and name   HA)
assign (resid 10 and name HB2) (resid 17 and name HB1) 3.148 3.148 1.738 weight 1.000 ! spec=HCH, no=414, id=2022, vol=1.120000e+07
assign (resid 44 and name HD12) (resid 49 and name HB1) 3.147 3.147 1.738 weight 1.000 ! spec=HCH, no=416, id=2024, vol=1.120000e+07
    or (resid   44 and name HD11) (resid   49 and name  HB1)
    or (resid   44 and name HD13) (resid   49 and name  HB1)
assign (resid 10 and name HB1) (resid 10 and name HA) 3.147 3.147 1.738 weight 1.000 ! spec=HCH, no=419, id=2027, vol=1.120000e+07
assign (resid 49 and name HB2) (resid 46 and name HN) 3.146 3.146 1.737 weight 1.000 ! spec=HCH, no=421, id=2029, vol=1.130000e+07
assign (resid 68 and name HD22) (resid 77 and name HA) 3.145 3.145 1.736 weight 1.000 ! spec=HCH, no=427, id=2035, vol=1.130000e+07
    or (resid   68 and name HD21) (resid   77 and name   HA)
    or (resid   68 and name HD23) (resid   77 and name   HA)
assign (resid 101 and name HB1) (resid 114 and name HA) 3.145 3.145 1.736 weight 1.000 ! spec=HCH, no=430, id=2038, vol=1.130000e+07
assign (resid 37 and name HD2) (resid 34 and name HA) 3.144 3.144 1.736 weight 1.000 ! spec=HCH, no=432, id=2040, vol=1.130000e+07
assign (resid 42 and name HB2) (resid 42 and name HA) 3.143 3.143 1.735 weight 1.000 ! spec=HCH, no=433, id=2041, vol=1.130000e+07
assign (resid 115 and name HA) (resid 27 and name HN) 3.143 3.143 1.735 weight 1.000 ! spec=HCH, no=436, id=2044, vol=1.130000e+07
assign (resid 88 and name HB2) (resid 89 and name HG12) 3.142 3.142 1.734 weight 1.000 ! spec=HCH, no=439, id=2047, vol=1.130000e+07
    or (resid   88 and name  HB2) (resid   89 and name HG11)
    or (resid   88 and name  HB2) (resid   89 and name HG13)
    or (resid   88 and name  HB1) (resid   89 and name HG12)
    or (resid   88 and name  HB1) (resid   89 and name HG11)
    or (resid   88 and name  HB1) (resid   89 and name HG13)
assign (resid 24 and name HA) (resid 119 and name HB2) 3.142 3.142 1.734 weight 1.000 ! spec=HCH, no=440, id=2048, vol=1.130000e+07
assign (resid 45 and name HB2) (resid 46 and name HN) 3.141 3.141 1.733 weight 1.000 ! spec=HCH, no=442, id=2050, vol=1.140000e+07
assign (resid 37 and name HG2) (resid 37 and name HB2) 3.140 3.140 1.733 weight 1.000 ! spec=HCH, no=445, id=2053, vol=1.140000e+07
assign (resid 28 and name HB1) (resid 29 and name HN) 3.140 3.140 1.732 weight 1.000 ! spec=HCH, no=448, id=2056, vol=1.140000e+07
assign (resid 93 and name HA) (resid 95 and name HN) 3.139 3.139 1.732 weight 1.000 ! spec=HCH, no=450, id=2058, vol=1.140000e+07
assign (resid 67 and name HA1) (resid 43 and name HD12) 3.138 3.138 1.731 weight 1.000 ! spec=HCH, no=451, id=2059, vol=1.140000e+07
    or (resid   67 and name  HA1) (resid   43 and name HD11)
    or (resid   67 and name  HA1) (resid   43 and name HD13)
assign (resid 135 and name HA) (resid 135 and name HB) 3.138 3.138 1.731 weight 1.000 ! spec=HCH, no=453, id=2061, vol=1.140000e+07
assign (resid 123 and name HG1) (resid 42 and name HA) 3.134 3.134 1.728 weight 1.000 ! spec=HCH, no=467, id=2075, vol=1.150000e+07
assign (resid 89 and name HG12) (resid 47 and name HN) 3.134 3.134 1.727 weight 1.000 ! spec=HCH, no=469, id=2077, vol=1.150000e+07
    or (resid   89 and name HG11) (resid   47 and name   HN)
    or (resid   89 and name HG13) (resid   47 and name   HN)
assign (resid 81 and name HA) (resid 80 and name HG11) 3.134 3.134 1.727 weight 1.000 ! spec=HCH, no=470, id=2078, vol=1.150000e+07
assign (resid 81 and name HA) (resid 43 and name HD22) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=471, id=2079, vol=1.150000e+07
    or (resid   81 and name   HA) (resid   43 and name HD21)
    or (resid   81 and name   HA) (resid   43 and name HD23)
assign (resid 134 and name HB2) (resid 136 and name HA2) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=472, id=2080, vol=1.150000e+07
    or (resid  134 and name  HB1) (resid  136 and name  HA2)
assign (resid 93 and name HG21) (resid 111 and name HE1) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=473, id=2081, vol=1.150000e+07
    or (resid   93 and name HG21) (resid  111 and name  HE2)
    or (resid   93 and name HG22) (resid  111 and name  HE1)
    or (resid   93 and name HG22) (resid  111 and name  HE2)
    or (resid   93 and name HG23) (resid  111 and name  HE1)
    or (resid   93 and name HG23) (resid  111 and name  HE2)
assign (resid 16 and name HG1) (resid 15 and name HB2) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=474, id=2082, vol=1.150000e+07
assign (resid 49 and name HB1) (resid 46 and name HN) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=475, id=2083, vol=1.160000e+07
assign (resid 20 and name HB) (resid 19 and name HA) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=476, id=2084, vol=1.160000e+07
assign (resid 64 and name HB2) (resid 20 and name HG12) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=477, id=2085, vol=1.160000e+07
    or (resid   64 and name  HB2) (resid   20 and name HG11)
    or (resid   64 and name  HB2) (resid   20 and name HG13)
assign (resid 47 and name HN) (resid 47 and name HA) 3.130 3.130 1.725 weight 1.000 ! spec=HCH, no=481, id=2089, vol=1.160000e+07
assign (resid 96 and name HA) (resid 97 and name HG2) 3.130 3.130 1.725 weight 1.000 ! spec=HCH, no=484, id=2092, vol=1.160000e+07
assign (resid 90 and name HN) (resid 50 and name HD12) 3.129 3.129 1.724 weight 1.000 ! spec=HCH, no=490, id=2098, vol=1.160000e+07
    or (resid   90 and name   HN) (resid   50 and name HD11)
    or (resid   90 and name   HN) (resid   50 and name HD13)
assign (resid 10 and name HB2) (resid 10 and name HA) 3.128 3.128 1.723 weight 1.000 ! spec=HCH, no=495, id=2103, vol=1.160000e+07
assign (resid 121 and name HG11) (resid 64 and name HB1) 3.127 3.127 1.722 weight 1.000 ! spec=HCH, no=500, id=2108, vol=1.170000e+07
assign (resid 119 and name HD2) (resid 64 and name HD1) 3.126 3.126 1.722 weight 1.000 ! spec=HCH, no=503, id=2111, vol=1.170000e+07
    or (resid  119 and name  HD2) (resid   64 and name  HD2)
assign (resid 37 and name HE2) (resid 19 and name HB2) 3.126 3.126 1.721 weight 1.000 ! spec=HCH, no=504, id=2112, vol=1.170000e+07
    or (resid   37 and name  HE1) (resid   19 and name  HB2)
assign (resid 125 and name HN) (resid 124 and name HB2) 3.126 3.126 1.721 weight 1.000 ! spec=HCH, no=507, id=2115, vol=1.170000e+07
assign (resid 49 and name HB2) (resid 50 and name HN) 3.125 3.125 1.721 weight 1.000 ! spec=HCH, no=508, id=2116, vol=1.170000e+07
assign (resid 20 and name HG22) (resid 18 and name HD1) 3.124 3.124 1.72 weight 1.000 ! spec=HCH, no=510, id=2118, vol=1.170000e+07
    or (resid   20 and name HG22) (resid   18 and name  HD2)
    or (resid   20 and name HG21) (resid   18 and name  HD1)
    or (resid   20 and name HG21) (resid   18 and name  HD2)
    or (resid   20 and name HG23) (resid   18 and name  HD1)
    or (resid   20 and name HG23) (resid   18 and name  HD2)
assign (resid 66 and name HG12) (resid 66 and name HB) 3.124 3.124 1.72 weight 1.000 ! spec=HCH, no=512, id=2120, vol=1.180000e+07
assign (resid 114 and name HB1) (resid 114 and name HA) 3.123 3.123 1.719 weight 1.000 ! spec=HCH, no=513, id=2121, vol=1.180000e+07
assign (resid 104 and name HN) (resid 104 and name HG11) 3.122 3.122 1.718 weight 1.000 ! spec=HCH, no=515, id=2123, vol=1.180000e+07
assign (resid 49 and name HG1) (resid 42 and name HE2) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=519, id=2127, vol=1.180000e+07
    or (resid   49 and name  HG1) (resid   42 and name  HE1)
    or (resid   49 and name  HG1) (resid   42 and name  HE3)
assign (resid 85 and name HD12) (resid 77 and name HE3) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=520, id=2128, vol=1.180000e+07
    or (resid   85 and name HD11) (resid   77 and name  HE3)
    or (resid   85 and name HD13) (resid   77 and name  HE3)
assign (resid 39 and name HB2) (resid 123 and name HA) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=521, id=2129, vol=1.180000e+07
    or (resid   39 and name  HB1) (resid  123 and name   HA)
    or (resid   39 and name  HB3) (resid  123 and name   HA)
assign (resid 121 and name HG12) (resid 121 and name HA) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=522, id=2130, vol=1.180000e+07
assign (resid 92 and name HA) (resid 110 and name HA) 3.119 3.119 1.716 weight 1.000 ! spec=HCH, no=526, id=2134, vol=1.190000e+07
assign (resid 44 and name HA) (resid 45 and name HB2) 3.118 3.118 1.715 weight 1.000 ! spec=HCH, no=532, id=2140, vol=1.190000e+07
assign (resid 117 and name HB2) (resid 116 and name HA) 3.117 3.117 1.714 weight 1.000 ! spec=HCH, no=534, id=2142, vol=1.190000e+07
    or (resid  117 and name  HB1) (resid  116 and name   HA)
assign (resid 66 and name HA) (resid 66 and name HG12) 3.116 3.116 1.713 weight 1.000 ! spec=HCH, no=539, id=2147, vol=1.190000e+07
assign (resid 57 and name HN) (resid 54 and name HA) 3.116 3.116 1.713 weight 1.000 ! spec=HCH, no=540, id=2148, vol=1.190000e+07
assign (resid 107 and name HN) (resid 107 and name HB2) 3.115 3.115 1.713 weight 1.000 ! spec=HCH, no=541, id=2149, vol=1.190000e+07
assign (resid 50 and name HA) (resid 104 and name HD12) 3.114 3.114 1.712 weight 1.000 ! spec=HCH, no=546, id=2154, vol=1.200000e+07
    or (resid   50 and name   HA) (resid  104 and name HD11)
    or (resid   50 and name   HA) (resid  104 and name HD13)
assign (resid 118 and name HN) (resid 24 and name HB1) 3.114 3.114 1.712 weight 1.000 ! spec=HCH, no=547, id=2155, vol=1.200000e+07
assign (resid 33 and name HA) (resid 36 and name HA1) 3.112 3.112 1.711 weight 1.000 ! spec=HCH, no=554, id=2162, vol=1.200000e+07
assign (resid 96 and name HG21) (resid 70 and name HD1) 3.112 3.112 1.71 weight 1.000 ! spec=HCH, no=556, id=2164, vol=1.200000e+07
    or (resid   96 and name HG21) (resid   70 and name  HD2)
    or (resid   96 and name HG22) (resid   70 and name  HD1)
    or (resid   96 and name HG22) (resid   70 and name  HD2)
    or (resid   96 and name HG23) (resid   70 and name  HD1)
    or (resid   96 and name HG23) (resid   70 and name  HD2)
assign (resid 57 and name HG11) (resid 104 and name HG11) 3.110 3.110 1.709 weight 1.000 ! spec=HCH, no=558, id=2166, vol=1.210000e+07
assign (resid 59 and name HB2) (resid 64 and name HZ) 3.110 3.110 1.709 weight 1.000 ! spec=HCH, no=561, id=2169, vol=1.210000e+07
assign (resid 11 and name HD12) (resid 10 and name HA) 3.108 3.108 1.708 weight 1.000 ! spec=HCH, no=562, id=2170, vol=1.210000e+07
    or (resid   11 and name HD11) (resid   10 and name   HA)
    or (resid   11 and name HD13) (resid   10 and name   HA)
assign (resid 18 and name HB2) (resid 11 and name HD22) 3.108 3.108 1.707 weight 1.000 ! spec=HCH, no=563, id=2171, vol=1.210000e+07
    or (resid   18 and name  HB2) (resid   11 and name HD21)
    or (resid   18 and name  HB2) (resid   11 and name HD23)
assign (resid 100 and name HB2) (resid 111 and name HB2) 3.107 3.107 1.707 weight 1.000 ! spec=HCH, no=564, id=2172, vol=1.210000e+07
assign (resid 7 and name HA) (resid 6 and name HA) 3.107 3.107 1.707 weight 1.000 ! spec=HCH, no=566, id=2174, vol=1.210000e+07
assign (resid 41 and name HN) (resid 41 and name HA) 3.107 3.107 1.706 weight 1.000 ! spec=HCH, no=569, id=2177, vol=1.210000e+07
assign (resid 18 and name HB2) (resid 18 and name HN) 3.106 3.106 1.706 weight 1.000 ! spec=HCH, no=572, id=2180, vol=1.220000e+07
assign (resid 115 and name HN) (resid 115 and name HB2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=575, id=2183, vol=1.220000e+07
assign (resid 134 and name HB2) (resid 133 and name HA) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=576, id=2184, vol=1.220000e+07
    or (resid  134 and name  HB1) (resid  133 and name   HA)
assign (resid 91 and name HA) (resid 92 and name HG11) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=577, id=2185, vol=1.220000e+07
assign (resid 37 and name HD2) (resid 37 and name HB2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=578, id=2186, vol=1.220000e+07
assign (resid 44 and name HG12) (resid 79 and name HH2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=581, id=2189, vol=1.220000e+07
assign (resid 100 and name HB1) (resid 70 and name HB2) 3.104 3.104 1.704 weight 1.000 ! spec=HCH, no=583, id=2191, vol=1.220000e+07
assign (resid 7 and name HD2) (resid 7 and name HB1) 3.101 3.101 1.702 weight 1.000 ! spec=HCH, no=587, id=2195, vol=1.230000e+07
assign (resid 39 and name HB2) (resid 35 and name HA) 3.100 3.100 1.701 weight 1.000 ! spec=HCH, no=591, id=2199, vol=1.230000e+07
    or (resid   39 and name  HB1) (resid   35 and name   HA)
    or (resid   39 and name  HB3) (resid   35 and name   HA)
assign (resid 57 and name HG22) (resid 60 and name HE2) 3.099 3.099 1.701 weight 1.000 ! spec=HCH, no=595, id=2203, vol=1.230000e+07
    or (resid   57 and name HG22) (resid   60 and name  HE1)
    or (resid   57 and name HG21) (resid   60 and name  HE2)
    or (resid   57 and name HG21) (resid   60 and name  HE1)
    or (resid   57 and name HG23) (resid   60 and name  HE2)
    or (resid   57 and name HG23) (resid   60 and name  HE1)
assign (resid 54 and name HA) (resid 57 and name HG22) 3.099 3.099 1.7 weight 1.000 ! spec=HCH, no=599, id=2207, vol=1.230000e+07
    or (resid   54 and name   HA) (resid   57 and name HG21)
    or (resid   54 and name   HA) (resid   57 and name HG23)
assign (resid 72 and name HA) (resid 74 and name HN) 3.098 3.098 1.699 weight 1.000 ! spec=HCH, no=601, id=2209, vol=1.240000e+07
assign (resid 3 and name HA) (resid 4 and name HD12) 3.098 3.098 1.699 weight 1.000 ! spec=HCH, no=602, id=2210, vol=1.240000e+07
    or (resid    3 and name   HA) (resid    4 and name HD11)
    or (resid    3 and name   HA) (resid    4 and name HD13)
assign (resid 41 and name HD12) (resid 65 and name HD1) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=603, id=2211, vol=1.240000e+07
    or (resid   41 and name HD11) (resid   65 and name  HD1)
    or (resid   41 and name HD13) (resid   65 and name  HD1)
assign (resid 44 and name HG12) (resid 44 and name HA) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=606, id=2214, vol=1.240000e+07
assign (resid 12 and name HB2) (resid 6 and name HB1) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=607, id=2215, vol=1.240000e+07
    or (resid   12 and name  HB1) (resid    6 and name  HB1)
assign (resid 104 and name HN) (resid 104 and name HG12) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=610, id=2218, vol=1.240000e+07
assign (resid 27 and name HA) (resid 27 and name HD1) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=611, id=2219, vol=1.240000e+07
assign (resid 112 and name HG1) (resid 112 and name HA) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=612, id=2220, vol=1.240000e+07
assign (resid 27 and name HB2) (resid 27 and name HE3) 3.095 3.095 1.698 weight 1.000 ! spec=HCH, no=614, id=2222, vol=1.240000e+07
assign (resid 63 and name HA) (resid 105 and name HB2) 3.095 3.095 1.698 weight 1.000 ! spec=HCH, no=615, id=2223, vol=1.240000e+07
assign (resid 11 and name HG) (resid 52 and name HE1) 3.095 3.095 1.697 weight 1.000 ! spec=HCH, no=617, id=2225, vol=1.240000e+07
    or (resid   11 and name   HG) (resid   52 and name  HE2)
assign (resid 44 and name HN) (resid 44 and name HG22) 3.094 3.094 1.697 weight 1.000 ! spec=HCH, no=618, id=2226, vol=1.240000e+07
    or (resid   44 and name   HN) (resid   44 and name HG21)
    or (resid   44 and name   HN) (resid   44 and name HG23)
assign (resid 23 and name HA) (resid 119 and name HG2) 3.094 3.094 1.697 weight 1.000 ! spec=HCH, no=619, id=2227, vol=1.240000e+07
assign (resid 13 and name HB1) (resid 18 and name HE1) 3.093 3.093 1.696 weight 1.000 ! spec=HCH, no=623, id=2231, vol=1.250000e+07
    or (resid   13 and name  HB1) (resid   18 and name  HE2)
assign (resid 57 and name HB) (resid 54 and name HD22) 3.092 3.092 1.695 weight 1.000 ! spec=HCH, no=625, id=2233, vol=1.250000e+07
    or (resid   57 and name   HB) (resid   54 and name HD21)
    or (resid   57 and name   HB) (resid   54 and name HD23)
assign (resid 44 and name HD12) (resid 79 and name HZ2) 3.091 3.091 1.694 weight 1.000 ! spec=HCH, no=629, id=2237, vol=1.250000e+07
    or (resid   44 and name HD11) (resid   79 and name  HZ2)
    or (resid   44 and name HD13) (resid   79 and name  HZ2)
assign (resid 72 and name HB2) (resid 72 and name HA) 3.090 3.090 1.694 weight 1.000 ! spec=HCH, no=632, id=2240, vol=1.250000e+07
assign (resid 100 and name HB2) (resid 111 and name HD1) 3.089 3.089 1.693 weight 1.000 ! spec=HCH, no=635, id=2243, vol=1.260000e+07
    or (resid  100 and name  HB2) (resid  111 and name  HD2)
assign (resid 77 and name HE1) (resid 96 and name HG21) 3.088 3.088 1.692 weight 1.000 ! spec=HCH, no=642, id=2250, vol=1.260000e+07
    or (resid   77 and name  HE1) (resid   96 and name HG22)
    or (resid   77 and name  HE1) (resid   96 and name HG23)
assign (resid 37 and name HG1) (resid 37 and name HB2) 3.088 3.088 1.692 weight 1.000 ! spec=HCH, no=645, id=2252, vol=1.260000e+07
assign (resid 42 and name HA) (resid 66 and name HG22) 3.087 3.087 1.691 weight 1.000 ! spec=HCH, no=647, id=2254, vol=1.260000e+07
    or (resid   42 and name   HA) (resid   66 and name HG21)
    or (resid   42 and name   HA) (resid   66 and name HG23)
assign (resid 16 and name HG1) (resid 125 and name HG1) 3.086 3.086 1.69 weight 1.000 ! spec=HCH, no=649, id=2256, vol=1.260000e+07
assign (resid 119 and name HD2) (resid 119 and name HB1) 3.084 3.084 1.689 weight 1.000 ! spec=HCH, no=652, id=2259, vol=1.270000e+07
assign (resid 49 and name HB1) (resid 44 and name HG22) 3.081 3.081 1.687 weight 1.000 ! spec=HCH, no=660, id=2267, vol=1.280000e+07
    or (resid   49 and name  HB1) (resid   44 and name HG21)
    or (resid   49 and name  HB1) (resid   44 and name HG23)
assign (resid 66 and name HD12) (resid 103 and name HA) 3.080 3.080 1.686 weight 1.000 ! spec=HCH, no=667, id=2274, vol=1.280000e+07
    or (resid   66 and name HD11) (resid  103 and name   HA)
    or (resid   66 and name HD13) (resid  103 and name   HA)
assign (resid 100 and name HB1) (resid 70 and name HB1) 3.079 3.079 1.685 weight 1.000 ! spec=HCH, no=670, id=2277, vol=1.280000e+07
assign (resid 104 and name HG22) (resid 64 and name HD1) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=676, id=2283, vol=1.280000e+07
    or (resid  104 and name HG22) (resid   64 and name  HD2)
    or (resid  104 and name HG21) (resid   64 and name  HD1)
    or (resid  104 and name HG21) (resid   64 and name  HD2)
    or (resid  104 and name HG23) (resid   64 and name  HD1)
    or (resid  104 and name HG23) (resid   64 and name  HD2)
assign (resid 102 and name HB2) (resid 101 and name HA) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=677, id=2284, vol=1.280000e+07
    or (resid  102 and name  HB1) (resid  101 and name   HA)
    or (resid  102 and name  HB3) (resid  101 and name   HA)
assign (resid 46 and name HN) (resid 44 and name HA) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=678, id=2285, vol=1.280000e+07
assign (resid 30 and name HA1) (resid 41 and name HD12) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=679, id=2286, vol=1.280000e+07
    or (resid   30 and name  HA1) (resid   41 and name HD11)
    or (resid   30 and name  HA1) (resid   41 and name HD13)
assign (resid 53 and name HB2) (resid 104 and name HG11) 3.078 3.078 1.684 weight 1.000 ! spec=HCH, no=681, id=2288, vol=1.280000e+07
assign (resid 126 and name HG) (resid 126 and name HA) 3.078 3.078 1.684 weight 1.000 ! spec=HCH, no=682, id=2289, vol=1.280000e+07
assign (resid 10 and name HB1) (resid 6 and name HB2) 3.077 3.077 1.683 weight 1.000 ! spec=HCH, no=685, id=2292, vol=1.290000e+07
assign (resid 94 and name HA2) (resid 93 and name HB) 3.075 3.075 1.682 weight 1.000 ! spec=HCH, no=691, id=2298, vol=1.290000e+07
assign (resid 119 and name HD1) (resid 62 and name HB2) 3.074 3.074 1.681 weight 1.000 ! spec=HCH, no=692, id=2299, vol=1.290000e+07
    or (resid  119 and name  HD1) (resid   62 and name  HB1)
assign (resid 20 and name HG22) (resid 57 and name HA) 3.074 3.074 1.681 weight 1.000 ! spec=HCH, no=693, id=2300, vol=1.290000e+07
    or (resid   20 and name HG21) (resid   57 and name   HA)
    or (resid   20 and name HG23) (resid   57 and name   HA)
assign (resid 119 and name HD1) (resid 64 and name HD1) 3.073 3.073 1.681 weight 1.000 ! spec=HCH, no=695, id=2302, vol=1.300000e+07
    or (resid  119 and name  HD1) (resid   64 and name  HD2)
assign (resid 23 and name HB) (resid 23 and name HN) 3.073 3.073 1.681 weight 1.000 ! spec=HCH, no=696, id=2303, vol=1.300000e+07
assign (resid 126 and name HD22) (resid 6 and name HN) 3.072 3.072 1.679 weight 1.000 ! spec=HCH, no=699, id=2306, vol=1.300000e+07
    or (resid  126 and name HD21) (resid    6 and name   HN)
    or (resid  126 and name HD23) (resid    6 and name   HN)
assign (resid 91 and name HB2) (resid 92 and name HG12) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=700, id=2307, vol=1.300000e+07
    or (resid   91 and name  HB1) (resid   92 and name HG12)
assign (resid 121 and name HB) (resid 121 and name HA) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=702, id=2309, vol=1.300000e+07
assign (resid 20 and name HG22) (resid 64 and name HD1) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=703, id=2310, vol=1.300000e+07
    or (resid   20 and name HG22) (resid   64 and name  HD2)
    or (resid   20 and name HG21) (resid   64 and name  HD1)
    or (resid   20 and name HG21) (resid   64 and name  HD2)
    or (resid   20 and name HG23) (resid   64 and name  HD1)
    or (resid   20 and name HG23) (resid   64 and name  HD2)
assign (resid 107 and name HB1) (resid 54 and name HD12) 3.070 3.070 1.678 weight 1.000 ! spec=HCH, no=705, id=2312, vol=1.300000e+07
    or (resid  107 and name  HB1) (resid   54 and name HD11)
    or (resid  107 and name  HB1) (resid   54 and name HD13)
assign (resid 22 and name HB1) (resid 23 and name HG12) 3.070 3.070 1.678 weight 1.000 ! spec=HCH, no=707, id=2314, vol=1.300000e+07
    or (resid   22 and name  HB1) (resid   23 and name HG11)
    or (resid   22 and name  HB1) (resid   23 and name HG13)
assign (resid 108 and name HG1) (resid 108 and name HE2) 3.069 3.069 1.677 weight 1.000 ! spec=HCH, no=709, id=2316, vol=1.310000e+07
    or (resid  108 and name  HG1) (resid  108 and name  HE1)
assign (resid 54 and name HN) (resid 53 and name HB1) 3.068 3.068 1.677 weight 1.000 ! spec=HCH, no=713, id=2320, vol=1.310000e+07
assign (resid 78 and name HG1) (resid 78 and name HA) 3.068 3.068 1.677 weight 1.000 ! spec=HCH, no=715, id=2322, vol=1.310000e+07
assign (resid 98 and name HB2) (resid 98 and name HN) 3.068 3.068 1.676 weight 1.000 ! spec=HCH, no=717, id=2324, vol=1.310000e+07
assign (resid 44 and name HD12) (resid 42 and name HG2) 3.067 3.067 1.676 weight 1.000 ! spec=HCH, no=719, id=2326, vol=1.310000e+07
    or (resid   44 and name HD11) (resid   42 and name  HG2)
    or (resid   44 and name HD13) (resid   42 and name  HG2)
assign (resid 73 and name HA) (resid 73 and name HG2) 3.066 3.066 1.675 weight 1.000 ! spec=HCH, no=721, id=2328, vol=1.310000e+07
assign (resid 23 and name HN) (resid 119 and name HB2) 3.065 3.065 1.674 weight 1.000 ! spec=HCH, no=725, id=2332, vol=1.320000e+07
assign (resid 93 and name HB) (resid 93 and name HN) 3.064 3.064 1.674 weight 1.000 ! spec=HCH, no=727, id=2334, vol=1.320000e+07
assign (resid 68 and name HA) (resid 68 and name HD12) 3.064 3.064 1.673 weight 1.000 ! spec=HCH, no=729, id=2336, vol=1.320000e+07
    or (resid   68 and name   HA) (resid   68 and name HD11)
    or (resid   68 and name   HA) (resid   68 and name HD13)
assign (resid 53 and name HA) (resid 56 and name HN) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=731, id=2338, vol=1.320000e+07
assign (resid 131 and name HA) (resid 130 and name HG21) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=732, id=2339, vol=1.320000e+07
    or (resid  131 and name   HA) (resid  130 and name HG22)
    or (resid  131 and name   HA) (resid  130 and name HG23)
assign (resid 69 and name HD1) (resid 27 and name HH2) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=733, id=2340, vol=1.320000e+07
assign (resid 7 and name HA) (resid 7 and name HG1) 3.061 3.061 1.671 weight 1.000 ! spec=HCH, no=736, id=2343, vol=1.330000e+07
assign (resid 119 and name HD1) (resid 119 and name HB1) 3.060 3.060 1.67 weight 1.000 ! spec=HCH, no=738, id=2345, vol=1.330000e+07
assign (resid 71 and name HN) (resid 71 and name HA) 3.059 3.059 1.67 weight 1.000 ! spec=HCH, no=741, id=2347, vol=1.330000e+07
assign (resid 108 and name HG2) (resid 110 and name HG21) 3.059 3.059 1.669 weight 1.000 ! spec=HCH, no=742, id=2348, vol=1.330000e+07
    or (resid  108 and name  HG2) (resid  110 and name HG22)
    or (resid  108 and name  HG2) (resid  110 and name HG23)
assign (resid 96 and name HA) (resid 95 and name HA) 3.058 3.058 1.669 weight 1.000 ! spec=HCH, no=745, id=2351, vol=1.330000e+07
assign (resid 47 and name HA) (resid 48 and name HN) 3.058 3.058 1.669 weight 1.000 ! spec=HCH, no=746, id=2352, vol=1.340000e+07
assign (resid 73 and name HB2) (resid 72 and name HD12) 3.057 3.057 1.668 weight 1.000 ! spec=HCH, no=747, id=2353, vol=1.340000e+07
    or (resid   73 and name  HB2) (resid   72 and name HD11)
    or (resid   73 and name  HB2) (resid   72 and name HD13)
    or (resid   73 and name  HB1) (resid   72 and name HD12)
    or (resid   73 and name  HB1) (resid   72 and name HD11)
    or (resid   73 and name  HB1) (resid   72 and name HD13)
assign (resid 126 and name HD22) (resid 3 and name HE2) 3.057 3.057 1.668 weight 1.000 ! spec=HCH, no=748, id=2354, vol=1.340000e+07
    or (resid  126 and name HD22) (resid    3 and name  HE1)
    or (resid  126 and name HD21) (resid    3 and name  HE2)
    or (resid  126 and name HD21) (resid    3 and name  HE1)
    or (resid  126 and name HD23) (resid    3 and name  HE2)
    or (resid  126 and name HD23) (resid    3 and name  HE1)
assign (resid 18 and name HB1) (resid 18 and name HA) 3.055 3.055 1.667 weight 1.000 ! spec=HCH, no=750, id=2356, vol=1.340000e+07
assign (resid 81 and name HN) (resid 80 and name HA) 3.054 3.054 1.666 weight 1.000 ! spec=HCH, no=755, id=2361, vol=1.350000e+07
assign (resid 90 and name HB1) (resid 90 and name HN) 3.053 3.053 1.665 weight 1.000 ! spec=HCH, no=756, id=2362, vol=1.350000e+07
assign (resid 72 and name HG) (resid 73 and name HA) 3.053 3.053 1.665 weight 1.000 ! spec=HCH, no=757, id=2363, vol=1.350000e+07
assign (resid 53 and name HN) (resid 54 and name HD22) 3.052 3.052 1.664 weight 1.000 ! spec=HCH, no=760, id=2366, vol=1.350000e+07
    or (resid   53 and name   HN) (resid   54 and name HD21)
    or (resid   53 and name   HN) (resid   54 and name HD23)
assign (resid 44 and name HD12) (resid 50 and name HA) 3.051 3.051 1.664 weight 1.000 ! spec=HCH, no=762, id=2368, vol=1.350000e+07
    or (resid   44 and name HD11) (resid   50 and name   HA)
    or (resid   44 and name HD13) (resid   50 and name   HA)
assign (resid 69 and name HB2) (resid 69 and name HA) 3.051 3.051 1.663 weight 1.000 ! spec=HCH, no=764, id=2370, vol=1.350000e+07
assign (resid 7 and name HD2) (resid 6 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HCH, no=766, id=2372, vol=1.360000e+07
assign (resid 4 and name HB1) (resid 4 and name HN) 3.049 3.049 1.662 weight 1.000 ! spec=HCH, no=769, id=2375, vol=1.360000e+07
assign (resid 101 and name HB2) (resid 101 and name HA) 3.049 3.049 1.662 weight 1.000 ! spec=HCH, no=771, id=2377, vol=1.360000e+07
assign (resid 90 and name HB2) (resid 90 and name HN) 3.048 3.048 1.661 weight 1.000 ! spec=HCH, no=773, id=2379, vol=1.360000e+07
assign (resid 24 and name HB1) (resid 119 and name HG1) 3.047 3.047 1.661 weight 1.000 ! spec=HCH, no=774, id=2380, vol=1.360000e+07
assign (resid 7 and name HB1) (resid 7 and name HA) 3.047 3.047 1.66 weight 1.000 ! spec=HCH, no=775, id=2381, vol=1.360000e+07
assign (resid 114 and name HA) (resid 113 and name HA) 3.046 3.046 1.66 weight 1.000 ! spec=HCH, no=778, id=2384, vol=1.370000e+07
assign (resid 104 and name HB) (resid 64 and name HB2) 3.044 3.044 1.658 weight 1.000 ! spec=HCH, no=785, id=2391, vol=1.370000e+07
assign (resid 78 and name HG2) (resid 78 and name HA) 3.044 3.044 1.658 weight 1.000 ! spec=HCH, no=787, id=2393, vol=1.370000e+07
assign (resid 37 and name HE2) (resid 10 and name HZ2) 3.042 3.042 1.657 weight 1.000 ! spec=HCH, no=790, id=2396, vol=1.380000e+07
    or (resid   37 and name  HE1) (resid   10 and name  HZ2)
assign (resid 108 and name HG2) (resid 108 and name HE2) 3.042 3.042 1.656 weight 1.000 ! spec=HCH, no=791, id=2397, vol=1.380000e+07
    or (resid  108 and name  HG2) (resid  108 and name  HE1)
assign (resid 135 and name HG12) (resid 137 and name HN) 3.042 3.042 1.656 weight 1.000 ! spec=HCH, no=792, id=2398, vol=1.380000e+07
    or (resid  135 and name HG11) (resid  137 and name   HN)
    or (resid  135 and name HG13) (resid  137 and name   HN)
assign (resid 72 and name HG) (resid 72 and name HA) 3.040 3.040 1.655 weight 1.000 ! spec=HCH, no=795, id=2401, vol=1.380000e+07
assign (resid 29 and name HB2) (resid 25 and name HB2) 3.040 3.040 1.655 weight 1.000 ! spec=HCH, no=797, id=2403, vol=1.380000e+07
    or (resid   29 and name  HB1) (resid   25 and name  HB2)
assign (resid 49 and name HG1) (resid 49 and name HN) 3.039 3.039 1.654 weight 1.000 ! spec=HCH, no=801, id=2407, vol=1.390000e+07
assign (resid 8 and name HN) (resid 7 and name HB2) 3.038 3.038 1.654 weight 1.000 ! spec=HCH, no=802, id=2408, vol=1.390000e+07
assign (resid 125 and name HN) (resid 125 and name HG2) 3.036 3.036 1.652 weight 1.000 ! spec=HCH, no=807, id=2413, vol=1.390000e+07
assign (resid 42 and name HG1) (resid 66 and name HG22) 3.036 3.036 1.652 weight 1.000 ! spec=HCH, no=809, id=2415, vol=1.390000e+07
    or (resid   42 and name  HG1) (resid   66 and name HG21)
    or (resid   42 and name  HG1) (resid   66 and name HG23)
assign (resid 4 and name HD22) (resid 127 and name HD1) 3.033 3.033 1.65 weight 1.000 ! spec=HCH, no=815, id=2421, vol=1.400000e+07
    or (resid    4 and name HD22) (resid  127 and name  HD2)
    or (resid    4 and name HD21) (resid  127 and name  HD1)
    or (resid    4 and name HD21) (resid  127 and name  HD2)
    or (resid    4 and name HD23) (resid  127 and name  HD1)
    or (resid    4 and name HD23) (resid  127 and name  HD2)
assign (resid 49 and name HB2) (resid 44 and name HG22) 3.032 3.032 1.649 weight 1.000 ! spec=HCH, no=819, id=2425, vol=1.410000e+07
    or (resid   49 and name  HB2) (resid   44 and name HG21)
    or (resid   49 and name  HB2) (resid   44 and name HG23)
assign (resid 85 and name HB1) (resid 85 and name HD12) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=822, id=2428, vol=1.410000e+07
    or (resid   85 and name  HB1) (resid   85 and name HD11)
    or (resid   85 and name  HB1) (resid   85 and name HD13)
assign (resid 40 and name HA) (resid 80 and name HD12) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=823, id=2429, vol=1.410000e+07
    or (resid   40 and name   HA) (resid   80 and name HD11)
    or (resid   40 and name   HA) (resid   80 and name HD13)
assign (resid 37 and name HG2) (resid 37 and name HE2) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=824, id=2430, vol=1.410000e+07
    or (resid   37 and name  HG2) (resid   37 and name  HE1)
assign (resid 44 and name HG11) (resid 44 and name HA) 3.029 3.029 1.647 weight 1.000 ! spec=HCH, no=826, id=2432, vol=1.410000e+07
assign (resid 86 and name HB1) (resid 89 and name HG12) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=829, id=2435, vol=1.420000e+07
    or (resid   86 and name  HB1) (resid   89 and name HG11)
    or (resid   86 and name  HB1) (resid   89 and name HG13)
assign (resid 18 and name HB2) (resid 19 and name HN) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=830, id=2436, vol=1.420000e+07
assign (resid 10 and name HN) (resid 10 and name HB2) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=831, id=2437, vol=1.420000e+07
assign (resid 126 and name HD22) (resid 6 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HCH, no=837, id=2443, vol=1.420000e+07
    or (resid  126 and name HD21) (resid    6 and name  HB1)
    or (resid  126 and name HD23) (resid    6 and name  HB1)
assign (resid 72 and name HA) (resid 73 and name HB2) 3.025 3.025 1.644 weight 1.000 ! spec=HCH, no=838, id=2444, vol=1.420000e+07
    or (resid   72 and name   HA) (resid   73 and name  HB1)
assign (resid 112 and name HA) (resid 111 and name HD1) 3.023 3.023 1.642 weight 1.000 ! spec=HCH, no=842, id=2448, vol=1.430000e+07
    or (resid  112 and name   HA) (resid  111 and name  HD2)
assign (resid 7 and name HA) (resid 8 and name HA) 3.022 3.022 1.642 weight 1.000 ! spec=HCH, no=844, id=2450, vol=1.430000e+07
assign (resid 96 and name HG21) (resid 95 and name HA) 3.022 3.022 1.642 weight 1.000 ! spec=HCH, no=847, id=2453, vol=1.430000e+07
    or (resid   96 and name HG22) (resid   95 and name   HA)
    or (resid   96 and name HG23) (resid   95 and name   HA)
assign (resid 41 and name HG) (resid 41 and name HB2) 3.022 3.022 1.641 weight 1.000 ! spec=HCH, no=849, id=2455, vol=1.430000e+07
assign (resid 124 and name HB2) (resid 124 and name HE2) 3.022 3.022 1.641 weight 1.000 ! spec=HCH, no=850, id=2456, vol=1.430000e+07
    or (resid  124 and name  HB2) (resid  124 and name  HE1)
assign (resid 34 and name HB2) (resid 40 and name HA) 3.020 3.020 1.64 weight 1.000 ! spec=HCH, no=855, id=2461, vol=1.440000e+07
assign (resid 50 and name HB2) (resid 51 and name HN) 3.019 3.019 1.64 weight 1.000 ! spec=HCH, no=856, id=2462, vol=1.440000e+07
assign (resid 53 and name HB2) (resid 54 and name HG) 3.018 3.018 1.639 weight 1.000 ! spec=HCH, no=860, id=2466, vol=1.440000e+07
assign (resid 4 and name HA) (resid 5 and name HG2) 3.018 3.018 1.639 weight 1.000 ! spec=HCH, no=861, id=2467, vol=1.440000e+07
    or (resid    4 and name   HA) (resid    5 and name  HG1)
assign (resid 43 and name HD22) (resid 81 and name HN) 3.017 3.017 1.637 weight 1.000 ! spec=HCH, no=866, id=2472, vol=1.450000e+07
    or (resid   43 and name HD21) (resid   81 and name   HN)
    or (resid   43 and name HD23) (resid   81 and name   HN)
assign (resid 50 and name HA) (resid 53 and name HB1) 3.016 3.016 1.637 weight 1.000 ! spec=HCH, no=868, id=2474, vol=1.450000e+07
assign (resid 43 and name HB2) (resid 43 and name HA) 3.014 3.014 1.636 weight 1.000 ! spec=HCH, no=876, id=2482, vol=1.460000e+07
assign (resid 57 and name HN) (resid 57 and name HG11) 3.014 3.014 1.635 weight 1.000 ! spec=HCH, no=883, id=2489, vol=1.460000e+07
assign (resid 80 and name HG11) (resid 80 and name HB) 3.013 3.013 1.635 weight 1.000 ! spec=HCH, no=884, id=2490, vol=1.460000e+07
assign (resid 64 and name HB1) (resid 64 and name HA) 3.012 3.012 1.634 weight 1.000 ! spec=HCH, no=886, id=2492, vol=1.460000e+07
assign (resid 121 and name HG22) (resid 57 and name HD12) 3.011 3.011 1.633 weight 1.000 ! spec=HCH, no=893, id=2499, vol=1.470000e+07
    or (resid  121 and name HG22) (resid   57 and name HD11)
    or (resid  121 and name HG22) (resid   57 and name HD13)
    or (resid  121 and name HG21) (resid   57 and name HD12)
    or (resid  121 and name HG21) (resid   57 and name HD11)
    or (resid  121 and name HG21) (resid   57 and name HD13)
    or (resid  121 and name HG23) (resid   57 and name HD12)
    or (resid  121 and name HG23) (resid   57 and name HD11)
    or (resid  121 and name HG23) (resid   57 and name HD13)
assign (resid 64 and name HB1) (resid 121 and name HD12) 3.011 3.011 1.633 weight 1.000 ! spec=HCH, no=894, id=2500, vol=1.470000e+07
    or (resid   64 and name  HB1) (resid  121 and name HD11)
    or (resid   64 and name  HB1) (resid  121 and name HD13)
assign (resid 46 and name HN) (resid 45 and name HA) 3.009 3.009 1.632 weight 1.000 ! spec=HCH, no=895, id=2501, vol=1.470000e+07
assign (resid 37 and name HD1) (resid 37 and name HB1) 3.007 3.007 1.63 weight 1.000 ! spec=HCH, no=901, id=2507, vol=1.480000e+07
assign (resid 92 and name HD12) (resid 92 and name HA) 3.006 3.006 1.63 weight 1.000 ! spec=HCH, no=902, id=2508, vol=1.480000e+07
    or (resid   92 and name HD11) (resid   92 and name   HA)
    or (resid   92 and name HD13) (resid   92 and name   HA)
assign (resid 54 and name HA) (resid 57 and name HD12) 3.006 3.006 1.63 weight 1.000 ! spec=HCH, no=903, id=2509, vol=1.480000e+07
    or (resid   54 and name   HA) (resid   57 and name HD11)
    or (resid   54 and name   HA) (resid   57 and name HD13)
assign (resid 57 and name HD12) (resid 64 and name HE1) 3.004 3.004 1.628 weight 1.000 ! spec=HCH, no=905, id=2511, vol=1.490000e+07
    or (resid   57 and name HD12) (resid   64 and name  HE2)
    or (resid   57 and name HD11) (resid   64 and name  HE1)
    or (resid   57 and name HD11) (resid   64 and name  HE2)
    or (resid   57 and name HD13) (resid   64 and name  HE1)
    or (resid   57 and name HD13) (resid   64 and name  HE2)
assign (resid 70 and name HA) (resid 70 and name HB2) 3.004 3.004 1.628 weight 1.000 ! spec=HCH, no=906, id=2512, vol=1.490000e+07
assign (resid 78 and name HD2) (resid 71 and name HG21) 3.002 3.002 1.627 weight 1.000 ! spec=HCH, no=913, id=2519, vol=1.490000e+07
    or (resid   78 and name  HD2) (resid   71 and name HG22)
    or (resid   78 and name  HD2) (resid   71 and name HG23)
    or (resid   78 and name  HD1) (resid   71 and name HG21)
    or (resid   78 and name  HD1) (resid   71 and name HG22)
    or (resid   78 and name  HD1) (resid   71 and name HG23)
assign (resid 19 and name HB2) (resid 122 and name HB1) 2.999 2.999 1.625 weight 1.000 ! spec=HCH, no=918, id=2524, vol=1.500000e+07
assign (resid 49 and name HG2) (resid 49 and name HN) 2.999 2.999 1.624 weight 1.000 ! spec=HCH, no=920, id=2526, vol=1.500000e+07
assign (resid 34 and name HB1) (resid 40 and name HA) 2.998 2.998 1.624 weight 1.000 ! spec=HCH, no=922, id=2528, vol=1.500000e+07
assign (resid 68 and name HD22) (resid 85 and name HB2) 2.998 2.998 1.623 weight 1.000 ! spec=HCH, no=924, id=2530, vol=1.500000e+07
    or (resid   68 and name HD21) (resid   85 and name  HB2)
    or (resid   68 and name HD23) (resid   85 and name  HB2)
assign (resid 55 and name HA) (resid 54 and name HB1) 2.998 2.998 1.623 weight 1.000 ! spec=HCH, no=926, id=2532, vol=1.510000e+07
assign (resid 108 and name HG2) (resid 108 and name HA) 2.997 2.997 1.623 weight 1.000 ! spec=HCH, no=928, id=2534, vol=1.510000e+07
assign (resid 126 and name HD22) (resid 3 and name HA) 2.996 2.996 1.622 weight 1.000 ! spec=HCH, no=932, id=2538, vol=1.510000e+07
    or (resid  126 and name HD21) (resid    3 and name   HA)
    or (resid  126 and name HD23) (resid    3 and name   HA)
assign (resid 50 and name HB1) (resid 53 and name HB1) 2.996 2.996 1.622 weight 1.000 ! spec=HCH, no=934, id=2540, vol=1.510000e+07
assign (resid 42 and name HA) (resid 42 and name HG2) 2.995 2.995 1.622 weight 1.000 ! spec=HCH, no=937, id=2543, vol=1.510000e+07
assign (resid 69 and name HD2) (resid 27 and name HH2) 2.995 2.995 1.621 weight 1.000 ! spec=HCH, no=940, id=2546, vol=1.510000e+07
assign (resid 92 and name HA) (resid 102 and name HB2) 2.995 2.995 1.621 weight 1.000 ! spec=HCH, no=941, id=2547, vol=1.510000e+07
    or (resid   92 and name   HA) (resid  102 and name  HB1)
    or (resid   92 and name   HA) (resid  102 and name  HB3)
assign (resid 7 and name HD2) (resid 10 and name HB1) 2.994 2.994 1.621 weight 1.000 ! spec=HCH, no=943, id=2549, vol=1.510000e+07
assign (resid 9 and name HA) (resid 8 and name HB2) 2.994 2.994 1.621 weight 1.000 ! spec=HCH, no=944, id=2550, vol=1.520000e+07
assign (resid 121 and name HG12) (resid 64 and name HB1) 2.993 2.993 1.62 weight 1.000 ! spec=HCH, no=947, id=2553, vol=1.520000e+07
assign (resid 40 and name HG21) (resid 35 and name HA) 2.993 2.993 1.62 weight 1.000 ! spec=HCH, no=948, id=2554, vol=1.520000e+07
    or (resid   40 and name HG22) (resid   35 and name   HA)
    or (resid   40 and name HG23) (resid   35 and name   HA)
assign (resid 101 and name HA) (resid 69 and name HB1) 2.992 2.992 1.619 weight 1.000 ! spec=HCH, no=949, id=2555, vol=1.520000e+07
assign (resid 66 and name HA) (resid 42 and name HB2) 2.991 2.991 1.618 weight 1.000 ! spec=HCH, no=952, id=2558, vol=1.530000e+07
assign (resid 41 and name HB1) (resid 67 and name HA1) 2.990 2.990 1.618 weight 1.000 ! spec=HCH, no=956, id=2562, vol=1.530000e+07
assign (resid 42 and name HB2) (resid 42 and name HN) 2.987 2.987 1.616 weight 1.000 ! spec=HCH, no=963, id=2569, vol=1.540000e+07
assign (resid 92 and name HD12) (resid 111 and name HD1) 2.987 2.987 1.615 weight 1.000 ! spec=HCH, no=964, id=2570, vol=1.540000e+07
    or (resid   92 and name HD12) (resid  111 and name  HD2)
    or (resid   92 and name HD11) (resid  111 and name  HD1)
    or (resid   92 and name HD11) (resid  111 and name  HD2)
    or (resid   92 and name HD13) (resid  111 and name  HD1)
    or (resid   92 and name HD13) (resid  111 and name  HD2)
assign (resid 55 and name HN) (resid 54 and name HB2) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=968, id=2574, vol=1.540000e+07
assign (resid 27 and name HN) (resid 27 and name HB1) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=970, id=2576, vol=1.540000e+07
assign (resid 57 and name HG22) (resid 64 and name HE1) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=971, id=2577, vol=1.540000e+07
    or (resid   57 and name HG22) (resid   64 and name  HE2)
    or (resid   57 and name HG21) (resid   64 and name  HE1)
    or (resid   57 and name HG21) (resid   64 and name  HE2)
    or (resid   57 and name HG23) (resid   64 and name  HE1)
    or (resid   57 and name HG23) (resid   64 and name  HE2)
assign (resid 37 and name HD1) (resid 37 and name HB2) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=972, id=2578, vol=1.540000e+07
assign (resid 96 and name HG21) (resid 98 and name HD22) 2.984 2.984 1.613 weight 1.000 ! spec=HCH, no=975, id=2581, vol=1.550000e+07
    or (resid   96 and name HG22) (resid   98 and name HD22)
    or (resid   96 and name HG23) (resid   98 and name HD22)
assign (resid 40 and name HN) (resid 40 and name HA) 2.984 2.984 1.613 weight 1.000 ! spec=HCH, no=976, id=2582, vol=1.550000e+07
assign (resid 37 and name HG1) (resid 37 and name HB1) 2.983 2.983 1.612 weight 1.000 ! spec=HCH, no=979, id=2585, vol=1.550000e+07
assign (resid 43 and name HD12) (resid 81 and name HA) 2.983 2.983 1.612 weight 1.000 ! spec=HCH, no=981, id=2587, vol=1.550000e+07
    or (resid   43 and name HD11) (resid   81 and name   HA)
    or (resid   43 and name HD13) (resid   81 and name   HA)
assign (resid 98 and name HA) (resid 70 and name HE1) 2.982 2.982 1.611 weight 1.000 ! spec=HCH, no=983, id=2589, vol=1.550000e+07
    or (resid   98 and name   HA) (resid   70 and name  HE2)
assign (resid 121 and name HD12) (resid 42 and name HB1) 2.980 2.980 1.61 weight 1.000 ! spec=HCH, no=986, id=2592, vol=1.560000e+07
    or (resid  121 and name HD11) (resid   42 and name  HB1)
    or (resid  121 and name HD13) (resid   42 and name  HB1)
assign (resid 44 and name HA) (resid 49 and name HG1) 2.979 2.979 1.609 weight 1.000 ! spec=HCH, no=988, id=2594, vol=1.560000e+07
assign (resid 104 and name HD12) (resid 50 and name HB2) 2.978 2.978 1.609 weight 1.000 ! spec=HCH, no=989, id=2595, vol=1.570000e+07
    or (resid  104 and name HD11) (resid   50 and name  HB2)
    or (resid  104 and name HD13) (resid   50 and name  HB2)
assign (resid 92 and name HG22) (resid 93 and name HA) 2.978 2.978 1.608 weight 1.000 ! spec=HCH, no=990, id=2596, vol=1.570000e+07
    or (resid   92 and name HG21) (resid   93 and name   HA)
    or (resid   92 and name HG23) (resid   93 and name   HA)
assign (resid 121 and name HA) (resid 20 and name HG12) 2.977 2.977 1.608 weight 1.000 ! spec=HCH, no=991, id=2597, vol=1.570000e+07
    or (resid  121 and name   HA) (resid   20 and name HG11)
    or (resid  121 and name   HA) (resid   20 and name HG13)
assign (resid 89 and name HA) (resid 90 and name HN) 2.977 2.977 1.608 weight 1.000 ! spec=HCH, no=992, id=2598, vol=1.570000e+07
assign (resid 65 and name HB1) (resid 120 and name HA) 2.976 2.976 1.607 weight 1.000 ! spec=HCH, no=994, id=2600, vol=1.570000e+07
assign (resid 119 and name HN) (resid 118 and name HB2) 2.976 2.976 1.607 weight 1.000 ! spec=HCH, no=995, id=2601, vol=1.570000e+07
assign (resid 109 and name HB) (resid 109 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=998, id=2604, vol=1.570000e+07
assign (resid 3 and name HA) (resid 15 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=999, id=2605, vol=1.570000e+07
assign (resid 24 and name HB1) (resid 119 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=1000, id=2606, vol=1.570000e+07
assign (resid 6 and name HB2) (resid 6 and name HN) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=1001, id=2607, vol=1.580000e+07
assign (resid 115 and name HN) (resid 113 and name HB1) 2.974 2.974 1.606 weight 1.000 ! spec=HCH, no=1004, id=2610, vol=1.580000e+07
assign (resid 21 and name HB1) (resid 23 and name HG22) 2.974 2.974 1.606 weight 1.000 ! spec=HCH, no=1005, id=2611, vol=1.580000e+07
    or (resid   21 and name  HB1) (resid   23 and name HG21)
    or (resid   21 and name  HB1) (resid   23 and name HG23)
assign (resid 53 and name HN) (resid 53 and name HG) 2.974 2.974 1.605 weight 1.000 ! spec=HCH, no=1006, id=2612, vol=1.580000e+07
assign (resid 3 and name HN) (resid 2 and name HB2) 2.973 2.973 1.605 weight 1.000 ! spec=HCH, no=1007, id=2613, vol=1.580000e+07
    or (resid    3 and name   HN) (resid    2 and name  HB1)
    or (resid    3 and name   HN) (resid    2 and name  HB3)
assign (resid 17 and name HB1) (resid 10 and name HE3) 2.973 2.973 1.605 weight 1.000 ! spec=HCH, no=1009, id=2615, vol=1.580000e+07
assign (resid 101 and name HB1) (resid 101 and name HA) 2.972 2.972 1.604 weight 1.000 ! spec=HCH, no=1011, id=2617, vol=1.590000e+07
assign (resid 16 and name HB1) (resid 16 and name HA) 2.971 2.971 1.604 weight 1.000 ! spec=HCH, no=1013, id=2619, vol=1.590000e+07
assign (resid 39 and name HB2) (resid 124 and name HA) 2.971 2.971 1.603 weight 1.000 ! spec=HCH, no=1014, id=2620, vol=1.590000e+07
    or (resid   39 and name  HB1) (resid  124 and name   HA)
    or (resid   39 and name  HB3) (resid  124 and name   HA)
assign (resid 121 and name HG12) (resid 66 and name HG22) 2.971 2.971 1.603 weight 1.000 ! spec=HCH, no=1016, id=2622, vol=1.590000e+07
    or (resid  121 and name HG12) (resid   66 and name HG21)
    or (resid  121 and name HG12) (resid   66 and name HG23)
assign (resid 108 and name HD2) (resid 107 and name HA) 2.968 2.968 1.601 weight 1.000 ! spec=HCH, no=1027, id=2632, vol=1.600000e+07
    or (resid  108 and name  HD1) (resid  107 and name   HA)
assign (resid 76 and name HA) (resid 76 and name HD21) 2.967 2.967 1.601 weight 1.000 ! spec=HCH, no=1032, id=2637, vol=1.600000e+07
assign (resid 80 and name HN) (resid 80 and name HD12) 2.966 2.966 1.6 weight 1.000 ! spec=HCH, no=1035, id=2640, vol=1.600000e+07
    or (resid   80 and name   HN) (resid   80 and name HD11)
    or (resid   80 and name   HN) (resid   80 and name HD13)
assign (resid 44 and name HG22) (resid 46 and name HA) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1038, id=2643, vol=1.610000e+07
    or (resid   44 and name HG21) (resid   46 and name   HA)
    or (resid   44 and name HG23) (resid   46 and name   HA)
assign (resid 43 and name HD12) (resid 81 and name HD21) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1040, id=2645, vol=1.610000e+07
    or (resid   43 and name HD11) (resid   81 and name HD21)
    or (resid   43 and name HD13) (resid   81 and name HD21)
assign (resid 80 and name HD12) (resid 67 and name HA2) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1041, id=2646, vol=1.610000e+07
    or (resid   80 and name HD11) (resid   67 and name  HA2)
    or (resid   80 and name HD13) (resid   67 and name  HA2)
assign (resid 42 and name HN) (resid 123 and name HG2) 2.963 2.963 1.597 weight 1.000 ! spec=HCH, no=1044, id=2649, vol=1.610000e+07
assign (resid 41 and name HA) (resid 41 and name HD22) 2.962 2.962 1.597 weight 1.000 ! spec=HCH, no=1046, id=2651, vol=1.620000e+07
    or (resid   41 and name   HA) (resid   41 and name HD21)
    or (resid   41 and name   HA) (resid   41 and name HD23)
assign (resid 52 and name HB2) (resid 49 and name HA) 2.960 2.960 1.595 weight 1.000 ! spec=HCH, no=1052, id=2657, vol=1.620000e+07
assign (resid 91 and name HG1) (resid 92 and name HG12) 2.960 2.960 1.595 weight 1.000 ! spec=HCH, no=1053, id=2658, vol=1.620000e+07
assign (resid 68 and name HG) (resid 68 and name HD12) 2.959 2.959 1.595 weight 1.000 ! spec=HCH, no=1054, id=2659, vol=1.630000e+07
    or (resid   68 and name   HG) (resid   68 and name HD11)
    or (resid   68 and name   HG) (resid   68 and name HD13)
assign (resid 4 and name HB1) (resid 126 and name HG) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1057, id=2662, vol=1.630000e+07
assign (resid 48 and name HG2) (resid 48 and name HN) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1058, id=2663, vol=1.630000e+07
assign (resid 51 and name HD2) (resid 51 and name HA) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1059, id=2664, vol=1.630000e+07
assign (resid 7 and name HD2) (resid 6 and name HB2) 2.958 2.958 1.594 weight 1.000 ! spec=HCH, no=1061, id=2666, vol=1.630000e+07
assign (resid 25 and name HB1) (resid 25 and name HA) 2.958 2.958 1.594 weight 1.000 ! spec=HCH, no=1062, id=2667, vol=1.630000e+07
assign (resid 49 and name HB1) (resid 49 and name HA) 2.958 2.958 1.593 weight 1.000 ! spec=HCH, no=1064, id=2669, vol=1.630000e+07
assign (resid 53 and name HN) (resid 53 and name HD12) 2.957 2.957 1.593 weight 1.000 ! spec=HCH, no=1067, id=2672, vol=1.630000e+07
    or (resid   53 and name   HN) (resid   53 and name HD11)
    or (resid   53 and name   HN) (resid   53 and name HD13)
assign (resid 126 and name HD12) (resid 12 and name HB2) 2.953 2.953 1.59 weight 1.000 ! spec=HCH, no=1075, id=2680, vol=1.650000e+07
    or (resid  126 and name HD12) (resid   12 and name  HB1)
    or (resid  126 and name HD11) (resid   12 and name  HB2)
    or (resid  126 and name HD11) (resid   12 and name  HB1)
    or (resid  126 and name HD13) (resid   12 and name  HB2)
    or (resid  126 and name HD13) (resid   12 and name  HB1)
assign (resid 37 and name HG1) (resid 37 and name HA) 2.952 2.952 1.59 weight 1.000 ! spec=HCH, no=1076, id=2681, vol=1.650000e+07
assign (resid 104 and name HG22) (resid 64 and name HE1) 2.952 2.952 1.589 weight 1.000 ! spec=HCH, no=1078, id=2683, vol=1.650000e+07
    or (resid  104 and name HG22) (resid   64 and name  HE2)
    or (resid  104 and name HG21) (resid   64 and name  HE1)
    or (resid  104 and name HG21) (resid   64 and name  HE2)
    or (resid  104 and name HG23) (resid   64 and name  HE1)
    or (resid  104 and name HG23) (resid   64 and name  HE2)
assign (resid 41 and name HD22) (resid 67 and name HA2) 2.951 2.951 1.589 weight 1.000 ! spec=HCH, no=1080, id=2685, vol=1.650000e+07
    or (resid   41 and name HD21) (resid   67 and name  HA2)
    or (resid   41 and name HD23) (resid   67 and name  HA2)
assign (resid 68 and name HA) (resid 68 and name HB1) 2.951 2.951 1.588 weight 1.000 ! spec=HCH, no=1082, id=2687, vol=1.650000e+07
assign (resid 20 and name HG22) (resid 121 and name HA) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1083, id=2688, vol=1.660000e+07
    or (resid   20 and name HG21) (resid  121 and name   HA)
    or (resid   20 and name HG23) (resid  121 and name   HA)
assign (resid 97 and name HA) (resid 97 and name HN) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1084, id=2689, vol=1.660000e+07
assign (resid 95 and name HB2) (resid 95 and name HN) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1085, id=2690, vol=1.660000e+07
assign (resid 43 and name HN) (resid 42 and name HG2) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1086, id=2691, vol=1.660000e+07
assign (resid 122 and name HB1) (resid 122 and name HA) 2.949 2.949 1.587 weight 1.000 ! spec=HCH, no=1087, id=2692, vol=1.660000e+07
assign (resid 118 and name HA) (resid 118 and name HN) 2.947 2.947 1.586 weight 1.000 ! spec=HCH, no=1090, id=2695, vol=1.670000e+07
assign (resid 110 and name HG21) (resid 104 and name HA) 2.945 2.945 1.584 weight 1.000 ! spec=HCH, no=1092, id=2697, vol=1.670000e+07
    or (resid  110 and name HG22) (resid  104 and name   HA)
    or (resid  110 and name HG23) (resid  104 and name   HA)
assign (resid 85 and name HG) (resid 85 and name HB2) 2.944 2.944 1.584 weight 1.000 ! spec=HCH, no=1093, id=2698, vol=1.680000e+07
assign (resid 86 and name HN) (resid 85 and name HD12) 2.944 2.944 1.584 weight 1.000 ! spec=HCH, no=1095, id=2700, vol=1.680000e+07
    or (resid   86 and name   HN) (resid   85 and name HD11)
    or (resid   86 and name   HN) (resid   85 and name HD13)
assign (resid 76 and name HB2) (resid 74 and name HB1) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1097, id=2702, vol=1.680000e+07
assign (resid 115 and name HA) (resid 116 and name HN) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1098, id=2703, vol=1.680000e+07
assign (resid 53 and name HG) (resid 42 and name HE2) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1100, id=2705, vol=1.680000e+07
    or (resid   53 and name   HG) (resid   42 and name  HE1)
    or (resid   53 and name   HG) (resid   42 and name  HE3)
assign (resid 33 and name HB2) (resid 34 and name HN) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1101, id=2706, vol=1.680000e+07
assign (resid 80 and name HG22) (resid 67 and name HA2) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1102, id=2707, vol=1.680000e+07
    or (resid   80 and name HG21) (resid   67 and name  HA2)
    or (resid   80 and name HG23) (resid   67 and name  HA2)
assign (resid 37 and name HG1) (resid 37 and name HE2) 2.942 2.942 1.582 weight 1.000 ! spec=HCH, no=1103, id=2708, vol=1.680000e+07
    or (resid   37 and name  HG1) (resid   37 and name  HE1)
assign (resid 13 and name HB2) (resid 18 and name HE1) 2.940 2.940 1.581 weight 1.000 ! spec=HCH, no=1106, id=2711, vol=1.690000e+07
    or (resid   13 and name  HB2) (resid   18 and name  HE2)
assign (resid 79 and name HB1) (resid 79 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1110, id=2715, vol=1.700000e+07
assign (resid 41 and name HB2) (resid 41 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1113, id=2718, vol=1.700000e+07
assign (resid 14 and name HA) (resid 14 and name HD2) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1114, id=2719, vol=1.700000e+07
    or (resid   14 and name   HA) (resid   14 and name  HD1)
assign (resid 29 and name HN) (resid 29 and name HG1) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1115, id=2720, vol=1.700000e+07
assign (resid 53 and name HD22) (resid 49 and name HA) 2.937 2.937 1.578 weight 1.000 ! spec=HCH, no=1117, id=2722, vol=1.700000e+07
    or (resid   53 and name HD21) (resid   49 and name   HA)
    or (resid   53 and name HD23) (resid   49 and name   HA)
assign (resid 115 and name HA) (resid 26 and name HA) 2.936 2.936 1.578 weight 1.000 ! spec=HCH, no=1118, id=2723, vol=1.700000e+07
assign (resid 20 and name HG22) (resid 18 and name HB2) 2.935 2.935 1.577 weight 1.000 ! spec=HCH, no=1124, id=2729, vol=1.710000e+07
    or (resid   20 and name HG21) (resid   18 and name  HB2)
    or (resid   20 and name HG23) (resid   18 and name  HB2)
assign (resid 3 and name HG2) (resid 126 and name HD22) 2.933 2.933 1.575 weight 1.000 ! spec=HCH, no=1127, id=2732, vol=1.720000e+07
    or (resid    3 and name  HG2) (resid  126 and name HD21)
    or (resid    3 and name  HG2) (resid  126 and name HD23)
    or (resid    3 and name  HG1) (resid  126 and name HD22)
    or (resid    3 and name  HG1) (resid  126 and name HD21)
    or (resid    3 and name  HG1) (resid  126 and name HD23)
assign (resid 3 and name HB2) (resid 126 and name HB1) 2.932 2.932 1.575 weight 1.000 ! spec=HCH, no=1130, id=2735, vol=1.720000e+07
    or (resid    3 and name  HB1) (resid  126 and name  HB1)
assign (resid 121 and name HA) (resid 121 and name HD12) 2.932 2.932 1.574 weight 1.000 ! spec=HCH, no=1132, id=2737, vol=1.720000e+07
    or (resid  121 and name   HA) (resid  121 and name HD11)
    or (resid  121 and name   HA) (resid  121 and name HD13)
assign (resid 25 and name HB2) (resid 120 and name HZ3) 2.931 2.931 1.573 weight 1.000 ! spec=HCH, no=1135, id=2740, vol=1.720000e+07
assign (resid 126 and name HD12) (resid 127 and name HN) 2.929 2.929 1.572 weight 1.000 ! spec=HCH, no=1139, id=2744, vol=1.730000e+07
    or (resid  126 and name HD11) (resid  127 and name   HN)
    or (resid  126 and name HD13) (resid  127 and name   HN)
assign (resid 51 and name HG2) (resid 48 and name HA) 2.928 2.928 1.571 weight 1.000 ! spec=HCH, no=1145, id=2750, vol=1.730000e+07
assign (resid 55 and name HB2) (resid 56 and name HA) 2.927 2.927 1.571 weight 1.000 ! spec=HCH, no=1149, id=2754, vol=1.740000e+07
assign (resid 53 and name HN) (resid 52 and name HB2) 2.926 2.926 1.57 weight 1.000 ! spec=HCH, no=1151, id=2756, vol=1.740000e+07
assign (resid 70 and name HB1) (resid 96 and name HG21) 2.925 2.925 1.569 weight 1.000 ! spec=HCH, no=1155, id=2759, vol=1.740000e+07
    or (resid   70 and name  HB1) (resid   96 and name HG22)
    or (resid   70 and name  HB1) (resid   96 and name HG23)
assign (resid 31 and name HG) (resid 31 and name HD12) 2.925 2.925 1.569 weight 1.000 ! spec=HCH, no=1157, id=2761, vol=1.740000e+07
    or (resid   31 and name   HG) (resid   31 and name HD11)
    or (resid   31 and name   HG) (resid   31 and name HD13)
assign (resid 45 and name HB1) (resid 45 and name HN) 2.924 2.924 1.569 weight 1.000 ! spec=HCH, no=1160, id=2764, vol=1.750000e+07
assign (resid 66 and name HA) (resid 66 and name HD12) 2.923 2.923 1.568 weight 1.000 ! spec=HCH, no=1163, id=2767, vol=1.750000e+07
    or (resid   66 and name   HA) (resid   66 and name HD11)
    or (resid   66 and name   HA) (resid   66 and name HD13)
assign (resid 104 and name HD12) (resid 104 and name HA) 2.922 2.922 1.568 weight 1.000 ! spec=HCH, no=1165, id=2769, vol=1.750000e+07
    or (resid  104 and name HD11) (resid  104 and name   HA)
    or (resid  104 and name HD13) (resid  104 and name   HA)
assign (resid 7 and name HG2) (resid 124 and name HD2) 2.922 2.922 1.567 weight 1.000 ! spec=HCH, no=1167, id=2771, vol=1.750000e+07
assign (resid 85 and name HG) (resid 85 and name HB1) 2.922 2.922 1.567 weight 1.000 ! spec=HCH, no=1168, id=2772, vol=1.760000e+07
assign (resid 104 and name HB) (resid 104 and name HG11) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1173, id=2777, vol=1.760000e+07
assign (resid 47 and name HA) (resid 50 and name HN) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1174, id=2778, vol=1.760000e+07
assign (resid 119 and name HG1) (resid 119 and name HD1) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1175, id=2779, vol=1.760000e+07
assign (resid 59 and name HG1) (resid 58 and name HG1) 2.920 2.920 1.565 weight 1.000 ! spec=HCH, no=1177, id=2781, vol=1.760000e+07
assign (resid 41 and name HD22) (resid 31 and name HB2) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1179, id=2783, vol=1.760000e+07
    or (resid   41 and name HD21) (resid   31 and name  HB2)
    or (resid   41 and name HD23) (resid   31 and name  HB2)
assign (resid 39 and name HB2) (resid 10 and name HZ2) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1181, id=2785, vol=1.760000e+07
    or (resid   39 and name  HB1) (resid   10 and name  HZ2)
    or (resid   39 and name  HB3) (resid   10 and name  HZ2)
assign (resid 29 and name HG1) (resid 29 and name HA) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1182, id=2786, vol=1.760000e+07
assign (resid 4 and name HB2) (resid 126 and name HG) 2.916 2.916 1.563 weight 1.000 ! spec=HCH, no=1185, id=2789, vol=1.780000e+07
assign (resid 11 and name HD22) (resid 11 and name HN) 2.916 2.916 1.563 weight 1.000 ! spec=HCH, no=1186, id=2790, vol=1.780000e+07
    or (resid   11 and name HD21) (resid   11 and name   HN)
    or (resid   11 and name HD23) (resid   11 and name   HN)
assign (resid 89 and name HG12) (resid 86 and name HB2) 2.915 2.915 1.562 weight 1.000 ! spec=HCH, no=1187, id=2791, vol=1.780000e+07
    or (resid   89 and name HG11) (resid   86 and name  HB2)
    or (resid   89 and name HG13) (resid   86 and name  HB2)
assign (resid 11 and name HG) (resid 11 and name HA) 2.913 2.913 1.561 weight 1.000 ! spec=HCH, no=1189, id=2793, vol=1.790000e+07
assign (resid 57 and name HG11) (resid 57 and name HB) 2.912 2.912 1.56 weight 1.000 ! spec=HCH, no=1191, id=2795, vol=1.790000e+07
assign (resid 75 and name HG1) (resid 75 and name HA) 2.912 2.912 1.56 weight 1.000 ! spec=HCH, no=1192, id=2796, vol=1.790000e+07
assign (resid 68 and name HA) (resid 66 and name HG12) 2.911 2.911 1.56 weight 1.000 ! spec=HCH, no=1193, id=2797, vol=1.790000e+07
assign (resid 92 and name HB) (resid 92 and name HG11) 2.911 2.911 1.559 weight 1.000 ! spec=HCH, no=1196, id=2800, vol=1.800000e+07
assign (resid 41 and name HG) (resid 41 and name HA) 2.910 2.910 1.559 weight 1.000 ! spec=HCH, no=1197, id=2801, vol=1.800000e+07
assign (resid 91 and name HG2) (resid 91 and name HA) 2.908 2.908 1.557 weight 1.000 ! spec=HCH, no=1203, id=2807, vol=1.810000e+07
assign (resid 51 and name HA) (resid 51 and name HD1) 2.907 2.907 1.556 weight 1.000 ! spec=HCH, no=1206, id=2810, vol=1.810000e+07
assign (resid 80 and name HA) (resid 80 and name HG11) 2.907 2.907 1.556 weight 1.000 ! spec=HCH, no=1207, id=2811, vol=1.810000e+07
assign (resid 36 and name HN) (resid 35 and name HB1) 2.906 2.906 1.556 weight 1.000 ! spec=HCH, no=1208, id=2812, vol=1.810000e+07
assign (resid 16 and name HD1) (resid 15 and name HB2) 2.906 2.906 1.556 weight 1.000 ! spec=HCH, no=1209, id=2813, vol=1.810000e+07
assign (resid 43 and name HD12) (resid 79 and name HA) 2.906 2.906 1.555 weight 1.000 ! spec=HCH, no=1211, id=2814, vol=1.810000e+07
    or (resid   43 and name HD11) (resid   79 and name   HA)
    or (resid   43 and name HD13) (resid   79 and name   HA)
assign (resid 55 and name HB1) (resid 52 and name HA) 2.903 2.903 1.553 weight 1.000 ! spec=HCH, no=1218, id=2821, vol=1.820000e+07
assign (resid 63 and name HA) (resid 105 and name HA) 2.902 2.902 1.552 weight 1.000 ! spec=HCH, no=1221, id=2824, vol=1.830000e+07
assign (resid 76 and name HD21) (resid 84 and name HG21) 2.900 2.900 1.551 weight 1.000 ! spec=HCH, no=1226, id=2829, vol=1.840000e+07
    or (resid   76 and name HD21) (resid   84 and name HG22)
    or (resid   76 and name HD21) (resid   84 and name HG23)
assign (resid 100 and name HA) (resid 100 and name HB1) 2.899 2.899 1.551 weight 1.000 ! spec=HCH, no=1227, id=2830, vol=1.840000e+07
assign (resid 75 and name HA) (resid 75 and name HG2) 2.899 2.899 1.55 weight 1.000 ! spec=HCH, no=1228, id=2831, vol=1.840000e+07
assign (resid 6 and name HB1) (resid 6 and name HA) 2.899 2.899 1.55 weight 1.000 ! spec=HCH, no=1230, id=2833, vol=1.840000e+07
assign (resid 121 and name HD12) (resid 64 and name HE1) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1231, id=2834, vol=1.840000e+07
    or (resid  121 and name HD12) (resid   64 and name  HE2)
    or (resid  121 and name HD11) (resid   64 and name  HE1)
    or (resid  121 and name HD11) (resid   64 and name  HE2)
    or (resid  121 and name HD13) (resid   64 and name  HE1)
    or (resid  121 and name HD13) (resid   64 and name  HE2)
assign (resid 70 and name HA) (resid 77 and name HA) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1232, id=2835, vol=1.840000e+07
assign (resid 100 and name HA) (resid 113 and name HA) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1234, id=2837, vol=1.840000e+07
assign (resid 14 and name HG1) (resid 14 and name HB2) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1235, id=2838, vol=1.840000e+07
    or (resid   14 and name  HG1) (resid   14 and name  HB1)
assign (resid 72 and name HN) (resid 72 and name HB2) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1236, id=2839, vol=1.840000e+07
assign (resid 93 and name HN) (resid 93 and name HG21) 2.896 2.896 1.548 weight 1.000 ! spec=HCH, no=1239, id=2842, vol=1.850000e+07
    or (resid   93 and name   HN) (resid   93 and name HG22)
    or (resid   93 and name   HN) (resid   93 and name HG23)
assign (resid 96 and name HG21) (resid 77 and name HZ2) 2.895 2.895 1.548 weight 1.000 ! spec=HCH, no=1242, id=2845, vol=1.850000e+07
    or (resid   96 and name HG22) (resid   77 and name  HZ2)
    or (resid   96 and name HG23) (resid   77 and name  HZ2)
assign (resid 7 and name HD1) (resid 6 and name HB2) 2.894 2.894 1.547 weight 1.000 ! spec=HCH, no=1244, id=2847, vol=1.860000e+07
assign (resid 5 and name HN) (resid 4 and name HD22) 2.894 2.894 1.547 weight 1.000 ! spec=HCH, no=1245, id=2848, vol=1.860000e+07
    or (resid    5 and name   HN) (resid    4 and name HD21)
    or (resid    5 and name   HN) (resid    4 and name HD23)
assign (resid 124 and name HB2) (resid 124 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1247, id=2850, vol=1.860000e+07
assign (resid 125 and name HB1) (resid 125 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1248, id=2851, vol=1.860000e+07
assign (resid 16 and name HD2) (resid 16 and name HE2) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1250, id=2853, vol=1.860000e+07
assign (resid 44 and name HD12) (resid 92 and name HD12) 2.892 2.892 1.546 weight 1.000 ! spec=HCH, no=1251, id=2854, vol=1.870000e+07
    or (resid   44 and name HD12) (resid   92 and name HD11)
    or (resid   44 and name HD12) (resid   92 and name HD13)
    or (resid   44 and name HD11) (resid   92 and name HD12)
    or (resid   44 and name HD11) (resid   92 and name HD11)
    or (resid   44 and name HD11) (resid   92 and name HD13)
    or (resid   44 and name HD13) (resid   92 and name HD12)
    or (resid   44 and name HD13) (resid   92 and name HD11)
    or (resid   44 and name HD13) (resid   92 and name HD13)
assign (resid 119 and name HG2) (resid 119 and name HD1) 2.890 2.890 1.544 weight 1.000 ! spec=HCH, no=1256, id=2859, vol=1.870000e+07
assign (resid 65 and name HB2) (resid 65 and name HA) 2.890 2.890 1.544 weight 1.000 ! spec=HCH, no=1261, id=2864, vol=1.880000e+07
assign (resid 71 and name HN) (resid 71 and name HB) 2.889 2.889 1.543 weight 1.000 ! spec=HCH, no=1262, id=2865, vol=1.880000e+07
assign (resid 50 and name HG) (resid 50 and name HB2) 2.888 2.888 1.543 weight 1.000 ! spec=HCH, no=1264, id=2867, vol=1.880000e+07
assign (resid 85 and name HD12) (resid 86 and name HB1) 2.888 2.888 1.542 weight 1.000 ! spec=HCH, no=1266, id=2869, vol=1.880000e+07
    or (resid   85 and name HD11) (resid   86 and name  HB1)
    or (resid   85 and name HD13) (resid   86 and name  HB1)
assign (resid 18 and name HB2) (resid 121 and name HG22) 2.886 2.886 1.541 weight 1.000 ! spec=HCH, no=1270, id=2873, vol=1.890000e+07
    or (resid   18 and name  HB2) (resid  121 and name HG21)
    or (resid   18 and name  HB2) (resid  121 and name HG23)
assign (resid 121 and name HG22) (resid 20 and name HA) 2.885 2.885 1.54 weight 1.000 ! spec=HCH, no=1273, id=2876, vol=1.890000e+07
    or (resid  121 and name HG21) (resid   20 and name   HA)
    or (resid  121 and name HG23) (resid   20 and name   HA)
assign (resid 47 and name HB2) (resid 48 and name HN) 2.884 2.884 1.54 weight 1.000 ! spec=HCH, no=1278, id=2881, vol=1.900000e+07
    or (resid   47 and name  HB1) (resid   48 and name   HN)
assign (resid 85 and name HD22) (resid 77 and name HB1) 2.883 2.883 1.539 weight 1.000 ! spec=HCH, no=1279, id=2882, vol=1.900000e+07
    or (resid   85 and name HD21) (resid   77 and name  HB1)
    or (resid   85 and name HD23) (resid   77 and name  HB1)
assign (resid 28 and name HG1) (resid 28 and name HA) 2.883 2.883 1.539 weight 1.000 ! spec=HCH, no=1282, id=2885, vol=1.900000e+07
assign (resid 31 and name HB2) (resid 31 and name HG) 2.882 2.882 1.538 weight 1.000 ! spec=HCH, no=1283, id=2886, vol=1.910000e+07
assign (resid 43 and name HD12) (resid 67 and name HN) 2.878 2.878 1.536 weight 1.000 ! spec=HCH, no=1296, id=2899, vol=1.920000e+07
    or (resid   43 and name HD11) (resid   67 and name   HN)
    or (resid   43 and name HD13) (resid   67 and name   HN)
assign (resid 57 and name HG12) (resid 54 and name HA) 2.878 2.878 1.536 weight 1.000 ! spec=HCH, no=1297, id=2900, vol=1.920000e+07
assign (resid 119 and name HA) (resid 120 and name HE3) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1298, id=2901, vol=1.920000e+07
assign (resid 17 and name HB1) (resid 17 and name HA) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1299, id=2902, vol=1.920000e+07
assign (resid 64 and name HA) (resid 120 and name HA) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1300, id=2903, vol=1.920000e+07
assign (resid 51 and name HA) (resid 54 and name HB1) 2.875 2.875 1.533 weight 1.000 ! spec=HCH, no=1306, id=2909, vol=1.930000e+07
assign (resid 19 and name HB1) (resid 19 and name HA) 2.873 2.873 1.532 weight 1.000 ! spec=HCH, no=1307, id=2910, vol=1.940000e+07
assign (resid 92 and name HD12) (resid 102 and name HB2) 2.873 2.873 1.532 weight 1.000 ! spec=HCH, no=1308, id=2911, vol=1.940000e+07
    or (resid   92 and name HD12) (resid  102 and name  HB1)
    or (resid   92 and name HD12) (resid  102 and name  HB3)
    or (resid   92 and name HD11) (resid  102 and name  HB2)
    or (resid   92 and name HD11) (resid  102 and name  HB1)
    or (resid   92 and name HD11) (resid  102 and name  HB3)
    or (resid   92 and name HD13) (resid  102 and name  HB2)
    or (resid   92 and name HD13) (resid  102 and name  HB1)
    or (resid   92 and name HD13) (resid  102 and name  HB3)
assign (resid 87 and name HA) (resid 90 and name HN) 2.872 2.872 1.531 weight 1.000 ! spec=HCH, no=1309, id=2912, vol=1.950000e+07
assign (resid 122 and name HA) (resid 39 and name HB2) 2.871 2.871 1.531 weight 1.000 ! spec=HCH, no=1310, id=2913, vol=1.950000e+07
    or (resid  122 and name   HA) (resid   39 and name  HB1)
    or (resid  122 and name   HA) (resid   39 and name  HB3)
assign (resid 134 and name HB2) (resid 133 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HCH, no=1313, id=2916, vol=1.950000e+07
    or (resid  134 and name  HB1) (resid  133 and name  HB2)
assign (resid 68 and name HD22) (resid 77 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HCH, no=1314, id=2917, vol=1.960000e+07
    or (resid   68 and name HD21) (resid   77 and name  HB2)
    or (resid   68 and name HD23) (resid   77 and name  HB2)
assign (resid 54 and name HN) (resid 54 and name HB2) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1315, id=2918, vol=1.960000e+07
assign (resid 44 and name HB) (resid 44 and name HG12) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1316, id=2919, vol=1.960000e+07
assign (resid 33 and name HN) (resid 30 and name HA1) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1317, id=2920, vol=1.960000e+07
assign (resid 58 and name HB2) (resid 59 and name HA) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1318, id=2921, vol=1.960000e+07
    or (resid   58 and name  HB1) (resid   59 and name   HA)
assign (resid 97 and name HG1) (resid 97 and name HA) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1322, id=2925, vol=1.960000e+07
assign (resid 57 and name HG12) (resid 104 and name HG22) 2.868 2.868 1.528 weight 1.000 ! spec=HCH, no=1326, id=2929, vol=1.960000e+07
    or (resid   57 and name HG12) (resid  104 and name HG21)
    or (resid   57 and name HG12) (resid  104 and name HG23)
assign (resid 53 and name HD12) (resid 42 and name HB2) 2.866 2.866 1.527 weight 1.000 ! spec=HCH, no=1330, id=2933, vol=1.970000e+07
    or (resid   53 and name HD11) (resid   42 and name  HB2)
    or (resid   53 and name HD13) (resid   42 and name  HB2)
assign (resid 42 and name HG1) (resid 42 and name HA) 2.864 2.864 1.526 weight 1.000 ! spec=HCH, no=1334, id=2937, vol=1.980000e+07
assign (resid 121 and name HB) (resid 42 and name HB1) 2.864 2.864 1.525 weight 1.000 ! spec=HCH, no=1336, id=2939, vol=1.980000e+07
assign (resid 119 and name HA) (resid 25 and name HB2) 2.863 2.863 1.524 weight 1.000 ! spec=HCH, no=1340, id=2943, vol=1.980000e+07
assign (resid 73 and name HB2) (resid 73 and name HD1) 2.862 2.862 1.524 weight 1.000 ! spec=HCH, no=1342, id=2945, vol=1.990000e+07
    or (resid   73 and name  HB1) (resid   73 and name  HD1)
assign (resid 125 and name HB2) (resid 125 and name HA) 2.861 2.861 1.523 weight 1.000 ! spec=HCH, no=1344, id=2947, vol=1.990000e+07
assign (resid 92 and name HB) (resid 92 and name HG12) 2.860 2.860 1.523 weight 1.000 ! spec=HCH, no=1347, id=2950, vol=1.990000e+07
assign (resid 18 and name HA) (resid 121 and name HG22) 2.859 2.859 1.521 weight 1.000 ! spec=HCH, no=1352, id=2955, vol=2.000000e+07
    or (resid   18 and name   HA) (resid  121 and name HG21)
    or (resid   18 and name   HA) (resid  121 and name HG23)
assign (resid 41 and name HG) (resid 41 and name HB1) 2.858 2.858 1.521 weight 1.000 ! spec=HCH, no=1354, id=2957, vol=2.000000e+07
assign (resid 91 and name HD2) (resid 91 and name HA) 2.857 2.857 1.52 weight 1.000 ! spec=HCH, no=1355, id=2958, vol=2.010000e+07
    or (resid   91 and name  HD1) (resid   91 and name   HA)
assign (resid 52 and name HB1) (resid 52 and name HD1) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1357, id=2960, vol=2.010000e+07
    or (resid   52 and name  HB1) (resid   52 and name  HD2)
assign (resid 14 and name HG1) (resid 14 and name HA) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1358, id=2961, vol=2.010000e+07
assign (resid 30 and name HN) (resid 29 and name HA) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1359, id=2962, vol=2.010000e+07
assign (resid 53 and name HG) (resid 53 and name HA) 2.856 2.856 1.519 weight 1.000 ! spec=HCH, no=1361, id=2964, vol=2.010000e+07
assign (resid 74 and name HA) (resid 74 and name HN) 2.855 2.855 1.519 weight 1.000 ! spec=HCH, no=1364, id=2967, vol=2.020000e+07
assign (resid 6 and name HB2) (resid 6 and name HA) 2.855 2.855 1.519 weight 1.000 ! spec=HCH, no=1365, id=2968, vol=2.020000e+07
assign (resid 25 and name HB1) (resid 29 and name HB2) 2.854 2.854 1.518 weight 1.000 ! spec=HCH, no=1367, id=2970, vol=2.020000e+07
    or (resid   25 and name  HB1) (resid   29 and name  HB1)
assign (resid 121 and name HB) (resid 121 and name HG12) 2.854 2.854 1.518 weight 1.000 ! spec=HCH, no=1368, id=2971, vol=2.020000e+07
assign (resid 18 and name HA) (resid 18 and name HD1) 2.853 2.853 1.517 weight 1.000 ! spec=HCH, no=1370, id=2973, vol=2.020000e+07
    or (resid   18 and name   HA) (resid   18 and name  HD2)
assign (resid 6 and name HB1) (resid 17 and name HB1) 2.853 2.853 1.517 weight 1.000 ! spec=HCH, no=1371, id=2974, vol=2.020000e+07
assign (resid 7 and name HD1) (resid 7 and name HG2) 2.852 2.852 1.517 weight 1.000 ! spec=HCH, no=1374, id=2977, vol=2.030000e+07
assign (resid 7 and name HD1) (resid 7 and name HG1) 2.851 2.851 1.516 weight 1.000 ! spec=HCH, no=1377, id=2980, vol=2.030000e+07
assign (resid 80 and name HA) (resid 80 and name HD12) 2.850 2.850 1.515 weight 1.000 ! spec=HCH, no=1383, id=2986, vol=2.040000e+07
    or (resid   80 and name   HA) (resid   80 and name HD11)
    or (resid   80 and name   HA) (resid   80 and name HD13)
assign (resid 50 and name HD12) (resid 50 and name HN) 2.850 2.850 1.515 weight 1.000 ! spec=HCH, no=1384, id=2987, vol=2.040000e+07
    or (resid   50 and name HD11) (resid   50 and name   HN)
    or (resid   50 and name HD13) (resid   50 and name   HN)
assign (resid 41 and name HG) (resid 31 and name HA) 2.849 2.849 1.515 weight 1.000 ! spec=HCH, no=1386, id=2989, vol=2.040000e+07
assign (resid 19 and name HB2) (resid 19 and name HA) 2.847 2.847 1.513 weight 1.000 ! spec=HCH, no=1391, id=2994, vol=2.050000e+07
assign (resid 82 and name HN) (resid 81 and name HA) 2.847 2.847 1.513 weight 1.000 ! spec=HCH, no=1393, id=2996, vol=2.050000e+07
assign (resid 119 and name HG2) (resid 119 and name HD2) 2.845 2.845 1.512 weight 1.000 ! spec=HCH, no=1395, id=2998, vol=2.060000e+07
assign (resid 68 and name HD12) (resid 77 and name HE3) 2.845 2.845 1.512 weight 1.000 ! spec=HCH, no=1396, id=2999, vol=2.060000e+07
    or (resid   68 and name HD11) (resid   77 and name  HE3)
    or (resid   68 and name HD13) (resid   77 and name  HE3)
assign (resid 80 and name HD12) (resid 41 and name HD22) 2.845 2.845 1.511 weight 1.000 ! spec=HCH, no=1397, id=3000, vol=2.060000e+07
    or (resid   80 and name HD12) (resid   41 and name HD21)
    or (resid   80 and name HD12) (resid   41 and name HD23)
    or (resid   80 and name HD11) (resid   41 and name HD22)
    or (resid   80 and name HD11) (resid   41 and name HD21)
    or (resid   80 and name HD11) (resid   41 and name HD23)
    or (resid   80 and name HD13) (resid   41 and name HD22)
    or (resid   80 and name HD13) (resid   41 and name HD21)
    or (resid   80 and name HD13) (resid   41 and name HD23)
assign (resid 24 and name HB2) (resid 117 and name HB2) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1399, id=3002, vol=2.060000e+07
    or (resid   24 and name  HB2) (resid  117 and name  HB1)
assign (resid 103 and name HA) (resid 65 and name HA) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1401, id=3004, vol=2.060000e+07
assign (resid 11 and name HB2) (resid 18 and name HB1) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1403, id=3006, vol=2.060000e+07
    or (resid   11 and name  HB1) (resid   18 and name  HB1)
assign (resid 120 and name HB2) (resid 120 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HCH, no=1404, id=3007, vol=2.070000e+07
assign (resid 66 and name HG22) (resid 103 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HCH, no=1407, id=3010, vol=2.070000e+07
    or (resid   66 and name HG21) (resid  103 and name   HA)
    or (resid   66 and name HG23) (resid  103 and name   HA)
assign (resid 50 and name HN) (resid 50 and name HB1) 2.842 2.842 1.51 weight 1.000 ! spec=HCH, no=1409, id=3012, vol=2.070000e+07
assign (resid 37 and name HE2) (resid 37 and name HB1) 2.841 2.841 1.509 weight 1.000 ! spec=HCH, no=1413, id=3016, vol=2.080000e+07
    or (resid   37 and name  HE1) (resid   37 and name  HB1)
assign (resid 53 and name HD12) (resid 18 and name HE1) 2.840 2.840 1.508 weight 1.000 ! spec=HCH, no=1414, id=3017, vol=2.080000e+07
    or (resid   53 and name HD12) (resid   18 and name  HE2)
    or (resid   53 and name HD11) (resid   18 and name  HE1)
    or (resid   53 and name HD11) (resid   18 and name  HE2)
    or (resid   53 and name HD13) (resid   18 and name  HE1)
    or (resid   53 and name HD13) (resid   18 and name  HE2)
assign (resid 53 and name HN) (resid 53 and name HB1) 2.839 2.839 1.508 weight 1.000 ! spec=HCH, no=1415, id=3018, vol=2.080000e+07
assign (resid 33 and name HN) (resid 33 and name HB2) 2.839 2.839 1.507 weight 1.000 ! spec=HCH, no=1417, id=3020, vol=2.090000e+07
assign (resid 49 and name HG1) (resid 49 and name HA) 2.837 2.837 1.506 weight 1.000 ! spec=HCH, no=1421, id=3024, vol=2.090000e+07
assign (resid 107 and name HB1) (resid 54 and name HD22) 2.837 2.837 1.506 weight 1.000 ! spec=HCH, no=1422, id=3025, vol=2.100000e+07
    or (resid  107 and name  HB1) (resid   54 and name HD21)
    or (resid  107 and name  HB1) (resid   54 and name HD23)
assign (resid 85 and name HB2) (resid 85 and name HA) 2.836 2.836 1.506 weight 1.000 ! spec=HCH, no=1423, id=3026, vol=2.100000e+07
assign (resid 93 and name HG21) (resid 94 and name HA1) 2.836 2.836 1.506 weight 1.000 ! spec=HCH, no=1424, id=3027, vol=2.100000e+07
    or (resid   93 and name HG22) (resid   94 and name  HA1)
    or (resid   93 and name HG23) (resid   94 and name  HA1)
assign (resid 91 and name HG1) (resid 91 and name HA) 2.836 2.836 1.505 weight 1.000 ! spec=HCH, no=1425, id=3028, vol=2.100000e+07
assign (resid 118 and name HB1) (resid 118 and name HA) 2.836 2.836 1.505 weight 1.000 ! spec=HCH, no=1426, id=3029, vol=2.100000e+07
assign (resid 80 and name HG12) (resid 80 and name HB) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1430, id=3033, vol=2.110000e+07
assign (resid 53 and name HD22) (resid 42 and name HG1) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1431, id=3034, vol=2.110000e+07
    or (resid   53 and name HD21) (resid   42 and name  HG1)
    or (resid   53 and name HD23) (resid   42 and name  HG1)
assign (resid 31 and name HB1) (resid 28 and name HA) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1432, id=3035, vol=2.110000e+07
assign (resid 80 and name HG12) (resid 80 and name HN) 2.831 2.831 1.502 weight 1.000 ! spec=HCH, no=1438, id=3041, vol=2.120000e+07
assign (resid 92 and name HA) (resid 92 and name HG12) 2.830 2.830 1.501 weight 1.000 ! spec=HCH, no=1441, id=3044, vol=2.130000e+07
assign (resid 20 and name HN) (resid 20 and name HG12) 2.829 2.829 1.501 weight 1.000 ! spec=HCH, no=1443, id=3046, vol=2.130000e+07
    or (resid   20 and name   HN) (resid   20 and name HG11)
    or (resid   20 and name   HN) (resid   20 and name HG13)
assign (resid 79 and name HA) (resid 68 and name HD22) 2.829 2.829 1.5 weight 1.000 ! spec=HCH, no=1445, id=3048, vol=2.130000e+07
    or (resid   79 and name   HA) (resid   68 and name HD21)
    or (resid   79 and name   HA) (resid   68 and name HD23)
assign (resid 58 and name HG1) (resid 58 and name HA) 2.828 2.828 1.5 weight 1.000 ! spec=HCH, no=1446, id=3049, vol=2.130000e+07
assign (resid 29 and name HG2) (resid 29 and name HA) 2.828 2.828 1.499 weight 1.000 ! spec=HCH, no=1449, id=3052, vol=2.140000e+07
assign (resid 28 and name HA) (resid 31 and name HD12) 2.827 2.827 1.499 weight 1.000 ! spec=HCH, no=1451, id=3054, vol=2.140000e+07
    or (resid   28 and name   HA) (resid   31 and name HD11)
    or (resid   28 and name   HA) (resid   31 and name HD13)
assign (resid 126 and name HD22) (resid 3 and name HB2) 2.824 2.824 1.497 weight 1.000 ! spec=HCH, no=1457, id=3060, vol=2.150000e+07
    or (resid  126 and name HD22) (resid    3 and name  HB1)
    or (resid  126 and name HD21) (resid    3 and name  HB2)
    or (resid  126 and name HD21) (resid    3 and name  HB1)
    or (resid  126 and name HD23) (resid    3 and name  HB2)
    or (resid  126 and name HD23) (resid    3 and name  HB1)
assign (resid 108 and name HG1) (resid 110 and name HG21) 2.822 2.822 1.495 weight 1.000 ! spec=HCH, no=1462, id=3065, vol=2.160000e+07
    or (resid  108 and name  HG1) (resid  110 and name HG22)
    or (resid  108 and name  HG1) (resid  110 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HA) 2.821 2.821 1.495 weight 1.000 ! spec=HCH, no=1463, id=3066, vol=2.160000e+07
assign (resid 122 and name HB1) (resid 39 and name HB2) 2.820 2.820 1.494 weight 1.000 ! spec=HCH, no=1469, id=3072, vol=2.170000e+07
    or (resid  122 and name  HB1) (resid   39 and name  HB1)
    or (resid  122 and name  HB1) (resid   39 and name  HB3)
assign (resid 92 and name HG11) (resid 92 and name HA) 2.819 2.819 1.494 weight 1.000 ! spec=HCH, no=1471, id=3074, vol=2.170000e+07
assign (resid 121 and name HG22) (resid 42 and name HG1) 2.818 2.818 1.493 weight 1.000 ! spec=HCH, no=1472, id=3075, vol=2.180000e+07
    or (resid  121 and name HG21) (resid   42 and name  HG1)
    or (resid  121 and name HG23) (resid   42 and name  HG1)
assign (resid 24 and name HA) (resid 120 and name HZ3) 2.818 2.818 1.493 weight 1.000 ! spec=HCH, no=1473, id=3076, vol=2.180000e+07
assign (resid 34 and name HB1) (resid 39 and name HB2) 2.818 2.818 1.492 weight 1.000 ! spec=HCH, no=1474, id=3077, vol=2.180000e+07
    or (resid   34 and name  HB1) (resid   39 and name  HB1)
    or (resid   34 and name  HB1) (resid   39 and name  HB3)
assign (resid 124 and name HB1) (resid 124 and name HD1) 2.815 2.815 1.491 weight 1.000 ! spec=HCH, no=1477, id=3080, vol=2.190000e+07
assign (resid 50 and name HA) (resid 53 and name HD12) 2.815 2.815 1.491 weight 1.000 ! spec=HCH, no=1478, id=3081, vol=2.190000e+07
    or (resid   50 and name   HA) (resid   53 and name HD11)
    or (resid   50 and name   HA) (resid   53 and name HD13)
assign (resid 122 and name HA) (resid 41 and name HD12) 2.815 2.815 1.49 weight 1.000 ! spec=HCH, no=1479, id=3082, vol=2.200000e+07
    or (resid  122 and name   HA) (resid   41 and name HD11)
    or (resid  122 and name   HA) (resid   41 and name HD13)
assign (resid 18 and name HB1) (resid 18 and name HD1) 2.814 2.814 1.49 weight 1.000 ! spec=HCH, no=1481, id=3084, vol=2.200000e+07
    or (resid   18 and name  HB1) (resid   18 and name  HD2)
assign (resid 16 and name HG1) (resid 16 and name HA) 2.814 2.814 1.49 weight 1.000 ! spec=HCH, no=1482, id=3085, vol=2.200000e+07
assign (resid 3 and name HG2) (resid 126 and name HB1) 2.812 2.812 1.488 weight 1.000 ! spec=HCH, no=1484, id=3087, vol=2.210000e+07
    or (resid    3 and name  HG1) (resid  126 and name  HB1)
assign (resid 73 and name HD2) (resid 73 and name HB2) 2.809 2.809 1.487 weight 1.000 ! spec=HCH, no=1487, id=3090, vol=2.220000e+07
    or (resid   73 and name  HD2) (resid   73 and name  HB1)
assign (resid 84 and name HN) (resid 84 and name HB) 2.809 2.809 1.486 weight 1.000 ! spec=HCH, no=1488, id=3091, vol=2.220000e+07
assign (resid 58 and name HG1) (resid 59 and name HA) 2.807 2.807 1.485 weight 1.000 ! spec=HCH, no=1492, id=3094, vol=2.230000e+07
assign (resid 50 and name HB2) (resid 50 and name HA) 2.807 2.807 1.485 weight 1.000 ! spec=HCH, no=1493, id=3095, vol=2.230000e+07
assign (resid 69 and name HD1) (resid 69 and name HB2) 2.806 2.806 1.485 weight 1.000 ! spec=HCH, no=1495, id=3097, vol=2.230000e+07
assign (resid 16 and name HB2) (resid 16 and name HA) 2.806 2.806 1.484 weight 1.000 ! spec=HCH, no=1497, id=3099, vol=2.240000e+07
assign (resid 119 and name HG1) (resid 119 and name HD2) 2.805 2.805 1.483 weight 1.000 ! spec=HCH, no=1503, id=3105, vol=2.240000e+07
assign (resid 18 and name HB2) (resid 18 and name HD1) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1506, id=3108, vol=2.240000e+07
    or (resid   18 and name  HB2) (resid   18 and name  HD2)
assign (resid 120 and name HB1) (resid 120 and name HA) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1508, id=3110, vol=2.250000e+07
assign (resid 96 and name HG21) (resid 93 and name HG21) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1510, id=3112, vol=2.250000e+07
    or (resid   96 and name HG21) (resid   93 and name HG22)
    or (resid   96 and name HG21) (resid   93 and name HG23)
    or (resid   96 and name HG22) (resid   93 and name HG21)
    or (resid   96 and name HG22) (resid   93 and name HG22)
    or (resid   96 and name HG22) (resid   93 and name HG23)
    or (resid   96 and name HG23) (resid   93 and name HG21)
    or (resid   96 and name HG23) (resid   93 and name HG22)
    or (resid   96 and name HG23) (resid   93 and name HG23)
assign (resid 41 and name HN) (resid 31 and name HD22) 2.802 2.802 1.482 weight 1.000 ! spec=HCH, no=1513, id=3115, vol=2.250000e+07
    or (resid   41 and name   HN) (resid   31 and name HD21)
    or (resid   41 and name   HN) (resid   31 and name HD23)
assign (resid 57 and name HG12) (resid 57 and name HA) 2.802 2.802 1.481 weight 1.000 ! spec=HCH, no=1514, id=3116, vol=2.260000e+07
assign (resid 120 and name HB2) (resid 120 and name HB1) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1515, id=3117, vol=2.260000e+07
assign (resid 105 and name HN) (resid 105 and name HB2) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1516, id=3118, vol=2.260000e+07
assign (resid 102 and name HA) (resid 111 and name HA) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1517, id=3119, vol=2.260000e+07
assign (resid 44 and name HD12) (resid 42 and name HG1) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1518, id=3120, vol=2.260000e+07
    or (resid   44 and name HD11) (resid   42 and name  HG1)
    or (resid   44 and name HD13) (resid   42 and name  HG1)
assign (resid 41 and name HB1) (resid 41 and name HA) 2.799 2.799 1.479 weight 1.000 ! spec=HCH, no=1520, id=3122, vol=2.270000e+07
assign (resid 81 and name HN) (resid 81 and name HA) 2.798 2.798 1.478 weight 1.000 ! spec=HCH, no=1523, id=3125, vol=2.280000e+07
assign (resid 67 and name HA1) (resid 80 and name HG22) 2.797 2.797 1.478 weight 1.000 ! spec=HCH, no=1525, id=3127, vol=2.280000e+07
    or (resid   67 and name  HA1) (resid   80 and name HG21)
    or (resid   67 and name  HA1) (resid   80 and name HG23)
assign (resid 69 and name HA) (resid 77 and name HZ3) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1528, id=3130, vol=2.280000e+07
assign (resid 31 and name HB2) (resid 31 and name HA) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1529, id=3131, vol=2.290000e+07
assign (resid 49 and name HG2) (resid 49 and name HA) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1530, id=3132, vol=2.290000e+07
assign (resid 124 and name HG2) (resid 124 and name HE2) 2.795 2.795 1.476 weight 1.000 ! spec=HCH, no=1533, id=3135, vol=2.290000e+07
    or (resid  124 and name  HG2) (resid  124 and name  HE1)
assign (resid 119 and name HA) (resid 119 and name HB1) 2.794 2.794 1.476 weight 1.000 ! spec=HCH, no=1535, id=3137, vol=2.300000e+07
assign (resid 81 and name HD22) (resid 43 and name HD12) 2.793 2.793 1.475 weight 1.000 ! spec=HCH, no=1536, id=3138, vol=2.300000e+07
    or (resid   81 and name HD22) (resid   43 and name HD11)
    or (resid   81 and name HD22) (resid   43 and name HD13)
assign (resid 66 and name HA) (resid 41 and name HD12) 2.792 2.792 1.475 weight 1.000 ! spec=HCH, no=1537, id=3139, vol=2.300000e+07
    or (resid   66 and name   HA) (resid   41 and name HD11)
    or (resid   66 and name   HA) (resid   41 and name HD13)
assign (resid 124 and name HD2) (resid 124 and name HE2) 2.791 2.791 1.474 weight 1.000 ! spec=HCH, no=1541, id=3143, vol=2.310000e+07
    or (resid  124 and name  HD2) (resid  124 and name  HE1)
assign (resid 18 and name HB2) (resid 18 and name HA) 2.791 2.791 1.474 weight 1.000 ! spec=HCH, no=1542, id=3144, vol=2.310000e+07
assign (resid 39 and name HB2) (resid 124 and name HD2) 2.790 2.790 1.473 weight 1.000 ! spec=HCH, no=1544, id=3146, vol=2.310000e+07
    or (resid   39 and name  HB1) (resid  124 and name  HD2)
    or (resid   39 and name  HB3) (resid  124 and name  HD2)
assign (resid 120 and name HA) (resid 41 and name HD12) 2.789 2.789 1.472 weight 1.000 ! spec=HCH, no=1546, id=3148, vol=2.320000e+07
    or (resid  120 and name   HA) (resid   41 and name HD11)
    or (resid  120 and name   HA) (resid   41 and name HD13)
assign (resid 19 and name HN) (resid 121 and name HG22) 2.788 2.788 1.472 weight 1.000 ! spec=HCH, no=1548, id=3150, vol=2.320000e+07
    or (resid   19 and name   HN) (resid  121 and name HG21)
    or (resid   19 and name   HN) (resid  121 and name HG23)
assign (resid 11 and name HB2) (resid 11 and name HA) 2.788 2.788 1.471 weight 1.000 ! spec=HCH, no=1550, id=3152, vol=2.330000e+07
    or (resid   11 and name  HB1) (resid   11 and name   HA)
assign (resid 114 and name HB2) (resid 114 and name HA) 2.787 2.787 1.471 weight 1.000 ! spec=HCH, no=1552, id=3154, vol=2.330000e+07
assign (resid 65 and name HB1) (resid 65 and name HB2) 2.786 2.786 1.47 weight 1.000 ! spec=HCH, no=1556, id=3158, vol=2.330000e+07
assign (resid 90 and name HB1) (resid 90 and name HA) 2.786 2.786 1.47 weight 1.000 ! spec=HCH, no=1558, id=3160, vol=2.340000e+07
assign (resid 70 and name HB1) (resid 70 and name HB2) 2.784 2.784 1.469 weight 1.000 ! spec=HCH, no=1560, id=3162, vol=2.340000e+07
assign (resid 104 and name HG22) (resid 64 and name HB2) 2.783 2.783 1.468 weight 1.000 ! spec=HCH, no=1566, id=3168, vol=2.350000e+07
    or (resid  104 and name HG21) (resid   64 and name  HB2)
    or (resid  104 and name HG23) (resid   64 and name  HB2)
assign (resid 23 and name HN) (resid 23 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HCH, no=1568, id=3170, vol=2.360000e+07
assign (resid 78 and name HB2) (resid 78 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HCH, no=1569, id=3171, vol=2.360000e+07
assign (resid 34 and name HB1) (resid 34 and name HN) 2.780 2.780 1.466 weight 1.000 ! spec=HCH, no=1570, id=3172, vol=2.370000e+07
assign (resid 119 and name HA) (resid 119 and name HB2) 2.779 2.779 1.465 weight 1.000 ! spec=HCH, no=1573, id=3175, vol=2.370000e+07
assign (resid 7 and name HG2) (resid 7 and name HB2) 2.779 2.779 1.465 weight 1.000 ! spec=HCH, no=1575, id=3177, vol=2.370000e+07
assign (resid 50 and name HD22) (resid 50 and name HN) 2.778 2.778 1.465 weight 1.000 ! spec=HCH, no=1577, id=3179, vol=2.370000e+07
    or (resid   50 and name HD21) (resid   50 and name   HN)
    or (resid   50 and name HD23) (resid   50 and name   HN)
assign (resid 43 and name HB2) (resid 43 and name HG) 2.778 2.778 1.465 weight 1.000 ! spec=HCH, no=1578, id=3180, vol=2.370000e+07
assign (resid 78 and name HB1) (resid 78 and name HA) 2.777 2.777 1.464 weight 1.000 ! spec=HCH, no=1580, id=3182, vol=2.380000e+07
assign (resid 51 and name HG2) (resid 51 and name HA) 2.776 2.776 1.463 weight 1.000 ! spec=HCH, no=1586, id=3188, vol=2.390000e+07
assign (resid 66 and name HN) (resid 103 and name HB2) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1587, id=3189, vol=2.390000e+07
    or (resid   66 and name   HN) (resid  103 and name  HB1)
    or (resid   66 and name   HN) (resid  103 and name  HB3)
assign (resid 92 and name HG22) (resid 109 and name HB) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1588, id=3190, vol=2.390000e+07
    or (resid   92 and name HG21) (resid  109 and name   HB)
    or (resid   92 and name HG23) (resid  109 and name   HB)
assign (resid 108 and name HB2) (resid 110 and name HG21) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1590, id=3192, vol=2.390000e+07
    or (resid  108 and name  HB2) (resid  110 and name HG22)
    or (resid  108 and name  HB2) (resid  110 and name HG23)
    or (resid  108 and name  HB1) (resid  110 and name HG21)
    or (resid  108 and name  HB1) (resid  110 and name HG22)
    or (resid  108 and name  HB1) (resid  110 and name HG23)
assign (resid 43 and name HN) (resid 42 and name HE2) 2.773 2.773 1.461 weight 1.000 ! spec=HCH, no=1594, id=3196, vol=2.400000e+07
    or (resid   43 and name   HN) (resid   42 and name  HE1)
    or (resid   43 and name   HN) (resid   42 and name  HE3)
assign (resid 58 and name HD2) (resid 59 and name HA) 2.772 2.772 1.46 weight 1.000 ! spec=HCH, no=1597, id=3199, vol=2.410000e+07
    or (resid   58 and name  HD1) (resid   59 and name   HA)
assign (resid 80 and name HG11) (resid 80 and name HD12) 2.771 2.771 1.46 weight 1.000 ! spec=HCH, no=1598, id=3200, vol=2.410000e+07
    or (resid   80 and name HG11) (resid   80 and name HD11)
    or (resid   80 and name HG11) (resid   80 and name HD13)
assign (resid 122 and name HB2) (resid 122 and name HA) 2.770 2.770 1.459 weight 1.000 ! spec=HCH, no=1600, id=3202, vol=2.420000e+07
assign (resid 91 and name HG1) (resid 109 and name HG22) 2.770 2.770 1.459 weight 1.000 ! spec=HCH, no=1601, id=3203, vol=2.420000e+07
    or (resid   91 and name  HG1) (resid  109 and name HG21)
    or (resid   91 and name  HG1) (resid  109 and name HG23)
assign (resid 105 and name HN) (resid 105 and name HB1) 2.768 2.768 1.458 weight 1.000 ! spec=HCH, no=1605, id=3206, vol=2.430000e+07
assign (resid 50 and name HB1) (resid 50 and name HA) 2.767 2.767 1.457 weight 1.000 ! spec=HCH, no=1609, id=3210, vol=2.430000e+07
assign (resid 75 and name HB1) (resid 75 and name HA) 2.766 2.766 1.456 weight 1.000 ! spec=HCH, no=1613, id=3214, vol=2.440000e+07
assign (resid 8 and name HG2) (resid 9 and name HB2) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1614, id=3215, vol=2.440000e+07
    or (resid    8 and name  HG1) (resid    9 and name  HB2)
assign (resid 52 and name HB1) (resid 49 and name HA) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1615, id=3216, vol=2.440000e+07
assign (resid 4 and name HB2) (resid 5 and name HN) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1616, id=3217, vol=2.440000e+07
assign (resid 60 and name HB1) (resid 60 and name HA) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1620, id=3221, vol=2.440000e+07
assign (resid 59 and name HG2) (resid 59 and name HA) 2.765 2.765 1.455 weight 1.000 ! spec=HCH, no=1622, id=3223, vol=2.450000e+07
assign (resid 53 and name HD22) (resid 52 and name HB1) 2.765 2.765 1.455 weight 1.000 ! spec=HCH, no=1623, id=3224, vol=2.450000e+07
    or (resid   53 and name HD21) (resid   52 and name  HB1)
    or (resid   53 and name HD23) (resid   52 and name  HB1)
assign (resid 16 and name HG2) (resid 16 and name HA) 2.764 2.764 1.455 weight 1.000 ! spec=HCH, no=1624, id=3225, vol=2.450000e+07
assign (resid 97 and name HA) (resid 98 and name HN) 2.764 2.764 1.455 weight 1.000 ! spec=HCH, no=1625, id=3226, vol=2.450000e+07
assign (resid 45 and name HN) (resid 45 and name HA) 2.763 2.763 1.454 weight 1.000 ! spec=HCH, no=1628, id=3229, vol=2.460000e+07
assign (resid 97 and name HG2) (resid 97 and name HA) 2.763 2.763 1.454 weight 1.000 ! spec=HCH, no=1629, id=3230, vol=2.460000e+07
assign (resid 135 and name HA) (resid 135 and name HG22) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1636, id=3237, vol=2.480000e+07
    or (resid  135 and name   HA) (resid  135 and name HG21)
    or (resid  135 and name   HA) (resid  135 and name HG23)
assign (resid 68 and name HD22) (resid 68 and name HB2) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1638, id=3239, vol=2.480000e+07
    or (resid   68 and name HD21) (resid   68 and name  HB2)
    or (resid   68 and name HD23) (resid   68 and name  HB2)
assign (resid 72 and name HB1) (resid 72 and name HA) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1639, id=3240, vol=2.480000e+07
assign (resid 66 and name HN) (resid 66 and name HG22) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1640, id=3241, vol=2.480000e+07
    or (resid   66 and name   HN) (resid   66 and name HG21)
    or (resid   66 and name   HN) (resid   66 and name HG23)
assign (resid 129 and name HB1) (resid 129 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1641, id=3242, vol=2.480000e+07
assign (resid 126 and name HD22) (resid 15 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1644, id=3245, vol=2.480000e+07
    or (resid  126 and name HD21) (resid   15 and name   HA)
    or (resid  126 and name HD23) (resid   15 and name   HA)
assign (resid 17 and name HB2) (resid 17 and name HA) 2.757 2.757 1.45 weight 1.000 ! spec=HCH, no=1645, id=3246, vol=2.480000e+07
assign (resid 119 and name HA) (resid 24 and name HA) 2.756 2.756 1.45 weight 1.000 ! spec=HCH, no=1647, id=3248, vol=2.490000e+07
assign (resid 24 and name HB1) (resid 24 and name HN) 2.756 2.756 1.45 weight 1.000 ! spec=HCH, no=1648, id=3249, vol=2.490000e+07
assign (resid 124 and name HD1) (resid 124 and name HE2) 2.756 2.756 1.449 weight 1.000 ! spec=HCH, no=1649, id=3250, vol=2.490000e+07
    or (resid  124 and name  HD1) (resid  124 and name  HE1)
assign (resid 18 and name HB2) (resid 11 and name HB2) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1650, id=3251, vol=2.490000e+07
    or (resid   18 and name  HB2) (resid   11 and name  HB1)
assign (resid 54 and name HD12) (resid 107 and name HA) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1651, id=3252, vol=2.500000e+07
    or (resid   54 and name HD11) (resid  107 and name   HA)
    or (resid   54 and name HD13) (resid  107 and name   HA)
assign (resid 21 and name HN) (resid 21 and name HB1) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1652, id=3253, vol=2.500000e+07
assign (resid 124 and name HB2) (resid 124 and name HD2) 2.753 2.753 1.448 weight 1.000 ! spec=HCH, no=1653, id=3254, vol=2.510000e+07
assign (resid 42 and name HG2) (resid 66 and name HG22) 2.752 2.752 1.447 weight 1.000 ! spec=HCH, no=1657, id=3258, vol=2.510000e+07
    or (resid   42 and name  HG2) (resid   66 and name HG21)
    or (resid   42 and name  HG2) (resid   66 and name HG23)
assign (resid 90 and name HB2) (resid 90 and name HA) 2.752 2.752 1.447 weight 1.000 ! spec=HCH, no=1658, id=3259, vol=2.510000e+07
assign (resid 35 and name HB2) (resid 32 and name HG22) 2.750 2.750 1.445 weight 1.000 ! spec=HCH, no=1662, id=3263, vol=2.520000e+07
    or (resid   35 and name  HB2) (resid   32 and name HG21)
    or (resid   35 and name  HB2) (resid   32 and name HG23)
assign (resid 73 and name HD1) (resid 73 and name HG1) 2.750 2.750 1.445 weight 1.000 ! spec=HCH, no=1664, id=3265, vol=2.530000e+07
assign (resid 7 and name HG1) (resid 7 and name HD2) 2.749 2.749 1.445 weight 1.000 ! spec=HCH, no=1665, id=3266, vol=2.530000e+07
assign (resid 57 and name HN) (resid 57 and name HA) 2.748 2.748 1.444 weight 1.000 ! spec=HCH, no=1666, id=3267, vol=2.530000e+07
assign (resid 13 and name HB2) (resid 13 and name HA) 2.748 2.748 1.444 weight 1.000 ! spec=HCH, no=1667, id=3268, vol=2.530000e+07
assign (resid 60 and name HA) (resid 57 and name HG22) 2.747 2.747 1.444 weight 1.000 ! spec=HCH, no=1669, id=3270, vol=2.540000e+07
    or (resid   60 and name   HA) (resid   57 and name HG21)
    or (resid   60 and name   HA) (resid   57 and name HG23)
assign (resid 126 and name HB1) (resid 126 and name HA) 2.745 2.745 1.442 weight 1.000 ! spec=HCH, no=1675, id=3276, vol=2.550000e+07
assign (resid 126 and name HB2) (resid 126 and name HA) 2.744 2.744 1.441 weight 1.000 ! spec=HCH, no=1676, id=3277, vol=2.560000e+07
assign (resid 31 and name HB1) (resid 31 and name HG) 2.743 2.743 1.441 weight 1.000 ! spec=HCH, no=1679, id=3280, vol=2.560000e+07
assign (resid 42 and name HG2) (resid 53 and name HD12) 2.743 2.743 1.44 weight 1.000 ! spec=HCH, no=1680, id=3281, vol=2.560000e+07
    or (resid   42 and name  HG2) (resid   53 and name HD11)
    or (resid   42 and name  HG2) (resid   53 and name HD13)
assign (resid 64 and name HB2) (resid 121 and name HD12) 2.742 2.742 1.44 weight 1.000 ! spec=HCH, no=1681, id=3282, vol=2.570000e+07
    or (resid   64 and name  HB2) (resid  121 and name HD11)
    or (resid   64 and name  HB2) (resid  121 and name HD13)
assign (resid 67 and name HN) (resid 66 and name HA) 2.742 2.742 1.44 weight 1.000 ! spec=HCH, no=1682, id=3283, vol=2.570000e+07
assign (resid 44 and name HD12) (resid 44 and name HA) 2.741 2.741 1.439 weight 1.000 ! spec=HCH, no=1684, id=3285, vol=2.570000e+07
    or (resid   44 and name HD11) (resid   44 and name   HA)
    or (resid   44 and name HD13) (resid   44 and name   HA)
assign (resid 123 and name HE21) (resid 43 and name HD22) 2.740 2.740 1.439 weight 1.000 ! spec=HCH, no=1685, id=3286, vol=2.580000e+07
    or (resid  123 and name HE21) (resid   43 and name HD21)
    or (resid  123 and name HE21) (resid   43 and name HD23)
assign (resid 22 and name HG1) (resid 22 and name HA) 2.739 2.739 1.438 weight 1.000 ! spec=HCH, no=1687, id=3288, vol=2.580000e+07
assign (resid 19 and name HA) (resid 20 and name HG22) 2.737 2.737 1.436 weight 1.000 ! spec=HCH, no=1691, id=3292, vol=2.600000e+07
    or (resid   19 and name   HA) (resid   20 and name HG21)
    or (resid   19 and name   HA) (resid   20 and name HG23)
assign (resid 5 and name HA) (resid 126 and name HD12) 2.736 2.736 1.436 weight 1.000 ! spec=HCH, no=1693, id=3294, vol=2.600000e+07
    or (resid    5 and name   HA) (resid  126 and name HD11)
    or (resid    5 and name   HA) (resid  126 and name HD13)
assign (resid 127 and name HA) (resid 4 and name HD12) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1695, id=3296, vol=2.610000e+07
    or (resid  127 and name   HA) (resid    4 and name HD11)
    or (resid  127 and name   HA) (resid    4 and name HD13)
assign (resid 121 and name HG22) (resid 53 and name HG) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1696, id=3297, vol=2.610000e+07
    or (resid  121 and name HG21) (resid   53 and name   HG)
    or (resid  121 and name HG23) (resid   53 and name   HG)
assign (resid 59 and name HB1) (resid 59 and name HA) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1697, id=3298, vol=2.610000e+07
assign (resid 49 and name HB2) (resid 49 and name HN) 2.733 2.733 1.434 weight 1.000 ! spec=HCH, no=1702, id=3303, vol=2.620000e+07
assign (resid 79 and name HA) (resid 68 and name HA) 2.733 2.733 1.434 weight 1.000 ! spec=HCH, no=1703, id=3304, vol=2.620000e+07
assign (resid 64 and name HA) (resid 119 and name HN) 2.732 2.732 1.433 weight 1.000 ! spec=HCH, no=1705, id=3306, vol=2.620000e+07
assign (resid 7 and name HG1) (resid 7 and name HB2) 2.732 2.732 1.433 weight 1.000 ! spec=HCH, no=1708, id=3309, vol=2.630000e+07
assign (resid 124 and name HG2) (resid 39 and name HA) 2.731 2.731 1.432 weight 1.000 ! spec=HCH, no=1709, id=3310, vol=2.630000e+07
assign (resid 123 and name HB2) (resid 123 and name HA) 2.731 2.731 1.432 weight 1.000 ! spec=HCH, no=1710, id=3311, vol=2.630000e+07
assign (resid 68 and name HD22) (resid 77 and name HE3) 2.729 2.729 1.431 weight 1.000 ! spec=HCH, no=1715, id=3316, vol=2.640000e+07
    or (resid   68 and name HD21) (resid   77 and name  HE3)
    or (resid   68 and name HD23) (resid   77 and name  HE3)
assign (resid 12 and name HB2) (resid 11 and name HA) 2.729 2.729 1.431 weight 1.000 ! spec=HCH, no=1716, id=3317, vol=2.640000e+07
    or (resid   12 and name  HB1) (resid   11 and name   HA)
assign (resid 22 and name HG2) (resid 22 and name HA) 2.728 2.728 1.43 weight 1.000 ! spec=HCH, no=1721, id=3322, vol=2.650000e+07
assign (resid 123 and name HB1) (resid 123 and name HA) 2.727 2.727 1.43 weight 1.000 ! spec=HCH, no=1724, id=3325, vol=2.650000e+07
assign (resid 63 and name HA) (resid 103 and name HB2) 2.727 2.727 1.429 weight 1.000 ! spec=HCH, no=1728, id=3329, vol=2.660000e+07
    or (resid   63 and name   HA) (resid  103 and name  HB1)
    or (resid   63 and name   HA) (resid  103 and name  HB3)
assign (resid 124 and name HE2) (resid 37 and name HB2) 2.727 2.727 1.429 weight 1.000 ! spec=HCH, no=1729, id=3330, vol=2.660000e+07
    or (resid  124 and name  HE1) (resid   37 and name  HB2)
assign (resid 5 and name HN) (resid 5 and name HB1) 2.726 2.726 1.429 weight 1.000 ! spec=HCH, no=1732, id=3333, vol=2.660000e+07
assign (resid 119 and name HA) (resid 119 and name HG2) 2.726 2.726 1.429 weight 1.000 ! spec=HCH, no=1733, id=3334, vol=2.660000e+07
assign (resid 44 and name HN) (resid 43 and name HA) 2.725 2.725 1.428 weight 1.000 ! spec=HCH, no=1735, id=3336, vol=2.670000e+07
assign (resid 57 and name HD12) (resid 64 and name HD1) 2.724 2.724 1.427 weight 1.000 ! spec=HCH, no=1738, id=3339, vol=2.670000e+07
    or (resid   57 and name HD12) (resid   64 and name  HD2)
    or (resid   57 and name HD11) (resid   64 and name  HD1)
    or (resid   57 and name HD11) (resid   64 and name  HD2)
    or (resid   57 and name HD13) (resid   64 and name  HD1)
    or (resid   57 and name HD13) (resid   64 and name  HD2)
assign (resid 90 and name HN) (resid 89 and name HB) 2.723 2.723 1.427 weight 1.000 ! spec=HCH, no=1740, id=3341, vol=2.680000e+07
assign (resid 85 and name HB1) (resid 85 and name HA) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1741, id=3342, vol=2.680000e+07
assign (resid 92 and name HB) (resid 92 and name HD12) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1743, id=3344, vol=2.690000e+07
    or (resid   92 and name   HB) (resid   92 and name HD11)
    or (resid   92 and name   HB) (resid   92 and name HD13)
assign (resid 52 and name HB2) (resid 52 and name HD1) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1744, id=3345, vol=2.690000e+07
    or (resid   52 and name  HB2) (resid   52 and name  HD2)
assign (resid 41 and name HN) (resid 41 and name HD12) 2.721 2.721 1.426 weight 1.000 ! spec=HCH, no=1745, id=3346, vol=2.690000e+07
    or (resid   41 and name   HN) (resid   41 and name HD11)
    or (resid   41 and name   HN) (resid   41 and name HD13)
assign (resid 31 and name HB1) (resid 31 and name HD22) 2.720 2.720 1.425 weight 1.000 ! spec=HCH, no=1749, id=3350, vol=2.700000e+07
    or (resid   31 and name  HB1) (resid   31 and name HD21)
    or (resid   31 and name  HB1) (resid   31 and name HD23)
assign (resid 96 and name HG21) (resid 72 and name HD12) 2.719 2.719 1.424 weight 1.000 ! spec=HCH, no=1751, id=3352, vol=2.700000e+07
    or (resid   96 and name HG21) (resid   72 and name HD11)
    or (resid   96 and name HG21) (resid   72 and name HD13)
    or (resid   96 and name HG22) (resid   72 and name HD12)
    or (resid   96 and name HG22) (resid   72 and name HD11)
    or (resid   96 and name HG22) (resid   72 and name HD13)
    or (resid   96 and name HG23) (resid   72 and name HD12)
    or (resid   96 and name HG23) (resid   72 and name HD11)
    or (resid   96 and name HG23) (resid   72 and name HD13)
assign (resid 45 and name HG1) (resid 45 and name HA) 2.719 2.719 1.424 weight 1.000 ! spec=HCH, no=1752, id=3353, vol=2.700000e+07
assign (resid 80 and name HN) (resid 43 and name HD12) 2.718 2.718 1.424 weight 1.000 ! spec=HCH, no=1753, id=3354, vol=2.710000e+07
    or (resid   80 and name   HN) (resid   43 and name HD11)
    or (resid   80 and name   HN) (resid   43 and name HD13)
assign (resid 85 and name HG) (resid 85 and name HA) 2.715 2.715 1.422 weight 1.000 ! spec=HCH, no=1755, id=3356, vol=2.720000e+07
assign (resid 41 and name HD22) (resid 67 and name HA1) 2.715 2.715 1.421 weight 1.000 ! spec=HCH, no=1756, id=3357, vol=2.730000e+07
    or (resid   41 and name HD21) (resid   67 and name  HA1)
    or (resid   41 and name HD23) (resid   67 and name  HA1)
assign (resid 22 and name HB1) (resid 22 and name HA) 2.714 2.714 1.421 weight 1.000 ! spec=HCH, no=1757, id=3358, vol=2.730000e+07
assign (resid 26 and name HG21) (resid 115 and name HB1) 2.709 2.709 1.417 weight 1.000 ! spec=HCH, no=1769, id=3370, vol=2.760000e+07
    or (resid   26 and name HG22) (resid  115 and name  HB1)
    or (resid   26 and name HG23) (resid  115 and name  HB1)
assign (resid 41 and name HD12) (resid 30 and name HA2) 2.708 2.708 1.417 weight 1.000 ! spec=HCH, no=1772, id=3373, vol=2.770000e+07
    or (resid   41 and name HD11) (resid   30 and name  HA2)
    or (resid   41 and name HD13) (resid   30 and name  HA2)
assign (resid 85 and name HB1) (resid 68 and name HD22) 2.708 2.708 1.416 weight 1.000 ! spec=HCH, no=1773, id=3374, vol=2.770000e+07
    or (resid   85 and name  HB1) (resid   68 and name HD21)
    or (resid   85 and name  HB1) (resid   68 and name HD23)
assign (resid 77 and name HB2) (resid 85 and name HD22) 2.707 2.707 1.416 weight 1.000 ! spec=HCH, no=1776, id=3377, vol=2.780000e+07
    or (resid   77 and name  HB2) (resid   85 and name HD21)
    or (resid   77 and name  HB2) (resid   85 and name HD23)
assign (resid 111 and name HB2) (resid 111 and name HD1) 2.706 2.706 1.415 weight 1.000 ! spec=HCH, no=1778, id=3379, vol=2.780000e+07
    or (resid  111 and name  HB2) (resid  111 and name  HD2)
assign (resid 100 and name HB2) (resid 100 and name HA) 2.703 2.703 1.413 weight 1.000 ! spec=HCH, no=1779, id=3380, vol=2.800000e+07
assign (resid 51 and name HB2) (resid 51 and name HD2) 2.702 2.702 1.413 weight 1.000 ! spec=HCH, no=1783, id=3384, vol=2.800000e+07
    or (resid   51 and name  HB1) (resid   51 and name  HD2)
assign (resid 69 and name HG2) (resid 69 and name HD1) 2.702 2.702 1.412 weight 1.000 ! spec=HCH, no=1785, id=3386, vol=2.810000e+07
    or (resid   69 and name  HG1) (resid   69 and name  HD1)
assign (resid 72 and name HD12) (resid 70 and name HD1) 2.701 2.701 1.412 weight 1.000 ! spec=HCH, no=1787, id=3388, vol=2.810000e+07
    or (resid   72 and name HD12) (resid   70 and name  HD2)
    or (resid   72 and name HD11) (resid   70 and name  HD1)
    or (resid   72 and name HD11) (resid   70 and name  HD2)
    or (resid   72 and name HD13) (resid   70 and name  HD1)
    or (resid   72 and name HD13) (resid   70 and name  HD2)
assign (resid 7 and name HG2) (resid 7 and name HD2) 2.699 2.699 1.41 weight 1.000 ! spec=HCH, no=1791, id=3392, vol=2.830000e+07
assign (resid 45 and name HN) (resid 42 and name HE2) 2.696 2.696 1.409 weight 1.000 ! spec=HCH, no=1793, id=3394, vol=2.840000e+07
    or (resid   45 and name   HN) (resid   42 and name  HE1)
    or (resid   45 and name   HN) (resid   42 and name  HE3)
assign (resid 14 and name HG2) (resid 14 and name HA) 2.696 2.696 1.408 weight 1.000 ! spec=HCH, no=1794, id=3395, vol=2.840000e+07
assign (resid 90 and name HB2) (resid 89 and name HG22) 2.696 2.696 1.408 weight 1.000 ! spec=HCH, no=1795, id=3396, vol=2.850000e+07
    or (resid   90 and name  HB2) (resid   89 and name HG21)
    or (resid   90 and name  HB2) (resid   89 and name HG23)
assign (resid 27 and name HB1) (resid 27 and name HB2) 2.695 2.695 1.408 weight 1.000 ! spec=HCH, no=1796, id=3397, vol=2.850000e+07
assign (resid 41 and name HA) (resid 122 and name HA) 2.694 2.694 1.407 weight 1.000 ! spec=HCH, no=1800, id=3401, vol=2.860000e+07
assign (resid 58 and name HN) (resid 57 and name HA) 2.693 2.693 1.407 weight 1.000 ! spec=HCH, no=1801, id=3402, vol=2.860000e+07
assign (resid 57 and name HB) (resid 57 and name HG12) 2.693 2.693 1.406 weight 1.000 ! spec=HCH, no=1803, id=3404, vol=2.860000e+07
assign (resid 112 and name HB1) (resid 112 and name HA) 2.692 2.692 1.406 weight 1.000 ! spec=HCH, no=1805, id=3406, vol=2.870000e+07
assign (resid 31 and name HG) (resid 31 and name HA) 2.691 2.691 1.405 weight 1.000 ! spec=HCH, no=1806, id=3407, vol=2.880000e+07
assign (resid 115 and name HB2) (resid 26 and name HG21) 2.690 2.690 1.405 weight 1.000 ! spec=HCH, no=1807, id=3408, vol=2.880000e+07
    or (resid  115 and name  HB2) (resid   26 and name HG22)
    or (resid  115 and name  HB2) (resid   26 and name HG23)
assign (resid 126 and name HD12) (resid 126 and name HN) 2.690 2.690 1.405 weight 1.000 ! spec=HCH, no=1808, id=3409, vol=2.880000e+07
    or (resid  126 and name HD11) (resid  126 and name   HN)
    or (resid  126 and name HD13) (resid  126 and name   HN)
assign (resid 124 and name HB1) (resid 124 and name HD2) 2.690 2.690 1.404 weight 1.000 ! spec=HCH, no=1810, id=3411, vol=2.880000e+07
assign (resid 45 and name HG2) (resid 45 and name HA) 2.689 2.689 1.404 weight 1.000 ! spec=HCH, no=1812, id=3413, vol=2.890000e+07
assign (resid 126 and name HB2) (resid 126 and name HN) 2.688 2.688 1.403 weight 1.000 ! spec=HCH, no=1815, id=3416, vol=2.890000e+07
assign (resid 37 and name HD2) (resid 37 and name HB1) 2.687 2.687 1.402 weight 1.000 ! spec=HCH, no=1819, id=3420, vol=2.900000e+07
assign (resid 124 and name HD1) (resid 39 and name HB2) 2.686 2.686 1.402 weight 1.000 ! spec=HCH, no=1821, id=3422, vol=2.910000e+07
    or (resid  124 and name  HD1) (resid   39 and name  HB1)
    or (resid  124 and name  HD1) (resid   39 and name  HB3)
assign (resid 53 and name HG) (resid 121 and name HD12) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1822, id=3423, vol=2.910000e+07
    or (resid   53 and name   HG) (resid  121 and name HD11)
    or (resid   53 and name   HG) (resid  121 and name HD13)
assign (resid 50 and name HG) (resid 50 and name HA) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1824, id=3425, vol=2.910000e+07
assign (resid 73 and name HG1) (resid 73 and name HD2) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1825, id=3426, vol=2.910000e+07
assign (resid 28 and name HB2) (resid 28 and name HA) 2.684 2.684 1.401 weight 1.000 ! spec=HCH, no=1827, id=3428, vol=2.920000e+07
assign (resid 119 and name HB1) (resid 119 and name HB2) 2.684 2.684 1.401 weight 1.000 ! spec=HCH, no=1828, id=3429, vol=2.920000e+07
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1829, id=3430, vol=2.920000e+07
assign (resid 37 and name HB2) (resid 37 and name HA) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1830, id=3431, vol=2.930000e+07
assign (resid 26 and name HG21) (resid 27 and name HN) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1831, id=3432, vol=2.930000e+07
    or (resid   26 and name HG22) (resid   27 and name   HN)
    or (resid   26 and name HG23) (resid   27 and name   HN)
assign (resid 73 and name HD1) (resid 73 and name HG2) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1832, id=3433, vol=2.930000e+07
assign (resid 47 and name HG2) (resid 89 and name HG22) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1833, id=3434, vol=2.930000e+07
    or (resid   47 and name  HG2) (resid   89 and name HG21)
    or (resid   47 and name  HG2) (resid   89 and name HG23)
    or (resid   47 and name  HG1) (resid   89 and name HG22)
    or (resid   47 and name  HG1) (resid   89 and name HG21)
    or (resid   47 and name  HG1) (resid   89 and name HG23)
assign (resid 11 and name HD12) (resid 11 and name HN) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1835, id=3436, vol=2.930000e+07
    or (resid   11 and name HD11) (resid   11 and name   HN)
    or (resid   11 and name HD13) (resid   11 and name   HN)
assign (resid 31 and name HB1) (resid 31 and name HA) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1836, id=3437, vol=2.940000e+07
assign (resid 15 and name HB2) (resid 15 and name HA) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1837, id=3438, vol=2.940000e+07
assign (resid 121 and name HA) (resid 20 and name HA) 2.681 2.681 1.399 weight 1.000 ! spec=HCH, no=1838, id=3439, vol=2.940000e+07
assign (resid 31 and name HB2) (resid 28 and name HA) 2.681 2.681 1.398 weight 1.000 ! spec=HCH, no=1839, id=3440, vol=2.940000e+07
assign (resid 11 and name HD22) (resid 56 and name HA) 2.680 2.680 1.398 weight 1.000 ! spec=HCH, no=1841, id=3442, vol=2.950000e+07
    or (resid   11 and name HD21) (resid   56 and name   HA)
    or (resid   11 and name HD23) (resid   56 and name   HA)
assign (resid 17 and name HA) (resid 12 and name HA) 2.677 2.677 1.396 weight 1.000 ! spec=HCH, no=1843, id=3444, vol=2.970000e+07
assign (resid 32 and name HB) (resid 32 and name HA) 2.674 2.674 1.394 weight 1.000 ! spec=HCH, no=1848, id=3449, vol=2.980000e+07
assign (resid 57 and name HB) (resid 57 and name HD12) 2.674 2.674 1.394 weight 1.000 ! spec=HCH, no=1849, id=3450, vol=2.990000e+07
    or (resid   57 and name   HB) (resid   57 and name HD11)
    or (resid   57 and name   HB) (resid   57 and name HD13)
assign (resid 109 and name HG22) (resid 68 and name HD12) 2.674 2.674 1.393 weight 1.000 ! spec=HCH, no=1850, id=3451, vol=2.990000e+07
    or (resid  109 and name HG22) (resid   68 and name HD11)
    or (resid  109 and name HG22) (resid   68 and name HD13)
    or (resid  109 and name HG21) (resid   68 and name HD12)
    or (resid  109 and name HG21) (resid   68 and name HD11)
    or (resid  109 and name HG21) (resid   68 and name HD13)
    or (resid  109 and name HG23) (resid   68 and name HD12)
    or (resid  109 and name HG23) (resid   68 and name HD11)
    or (resid  109 and name HG23) (resid   68 and name HD13)
assign (resid 110 and name HG21) (resid 91 and name HE2) 2.673 2.673 1.393 weight 1.000 ! spec=HCH, no=1852, id=3453, vol=2.990000e+07
    or (resid  110 and name HG21) (resid   91 and name  HE1)
    or (resid  110 and name HG22) (resid   91 and name  HE2)
    or (resid  110 and name HG22) (resid   91 and name  HE1)
    or (resid  110 and name HG23) (resid   91 and name  HE2)
    or (resid  110 and name HG23) (resid   91 and name  HE1)
assign (resid 35 and name HB1) (resid 32 and name HA) 2.672 2.672 1.393 weight 1.000 ! spec=HCH, no=1854, id=3455, vol=3.000000e+07
assign (resid 89 and name HB) (resid 89 and name HA) 2.671 2.671 1.392 weight 1.000 ! spec=HCH, no=1856, id=3457, vol=3.010000e+07
assign (resid 109 and name HG12) (resid 92 and name HG22) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1857, id=3458, vol=3.020000e+07
    or (resid  109 and name HG12) (resid   92 and name HG21)
    or (resid  109 and name HG12) (resid   92 and name HG23)
    or (resid  109 and name HG11) (resid   92 and name HG22)
    or (resid  109 and name HG11) (resid   92 and name HG21)
    or (resid  109 and name HG11) (resid   92 and name HG23)
    or (resid  109 and name HG13) (resid   92 and name HG22)
    or (resid  109 and name HG13) (resid   92 and name HG21)
    or (resid  109 and name HG13) (resid   92 and name HG23)
assign (resid 113 and name HB1) (resid 113 and name HA) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1858, id=3459, vol=3.020000e+07
assign (resid 121 and name HG22) (resid 42 and name HG2) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1859, id=3460, vol=3.020000e+07
    or (resid  121 and name HG21) (resid   42 and name  HG2)
    or (resid  121 and name HG23) (resid   42 and name  HG2)
assign (resid 51 and name HB2) (resid 51 and name HD1) 2.669 2.669 1.39 weight 1.000 ! spec=HCH, no=1861, id=3462, vol=3.020000e+07
    or (resid   51 and name  HB1) (resid   51 and name  HD1)
assign (resid 4 and name HD12) (resid 15 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HCH, no=1864, id=3465, vol=3.020000e+07
    or (resid    4 and name HD11) (resid   15 and name   HA)
    or (resid    4 and name HD13) (resid   15 and name   HA)
assign (resid 32 and name HB) (resid 29 and name HA) 2.668 2.668 1.389 weight 1.000 ! spec=HCH, no=1868, id=3469, vol=3.030000e+07
assign (resid 54 and name HN) (resid 54 and name HD12) 2.666 2.666 1.388 weight 1.000 ! spec=HCH, no=1874, id=3475, vol=3.040000e+07
    or (resid   54 and name   HN) (resid   54 and name HD11)
    or (resid   54 and name   HN) (resid   54 and name HD13)
assign (resid 31 and name HB1) (resid 41 and name HD22) 2.665 2.665 1.388 weight 1.000 ! spec=HCH, no=1875, id=3476, vol=3.050000e+07
    or (resid   31 and name  HB1) (resid   41 and name HD21)
    or (resid   31 and name  HB1) (resid   41 and name HD23)
assign (resid 4 and name HB2) (resid 4 and name HA) 2.664 2.664 1.387 weight 1.000 ! spec=HCH, no=1876, id=3477, vol=3.060000e+07
assign (resid 61 and name HB1) (resid 61 and name HA) 2.663 2.663 1.386 weight 1.000 ! spec=HCH, no=1877, id=3478, vol=3.060000e+07
assign (resid 11 and name HD22) (resid 11 and name HA) 2.662 2.662 1.386 weight 1.000 ! spec=HCH, no=1878, id=3479, vol=3.070000e+07
    or (resid   11 and name HD21) (resid   11 and name   HA)
    or (resid   11 and name HD23) (resid   11 and name   HA)
assign (resid 31 and name HA) (resid 41 and name HD22) 2.660 2.660 1.384 weight 1.000 ! spec=HCH, no=1880, id=3481, vol=3.080000e+07
    or (resid   31 and name   HA) (resid   41 and name HD21)
    or (resid   31 and name   HA) (resid   41 and name HD23)
assign (resid 21 and name HN) (resid 21 and name HA) 2.659 2.659 1.383 weight 1.000 ! spec=HCH, no=1882, id=3483, vol=3.090000e+07
assign (resid 118 and name HB2) (resid 118 and name HA) 2.658 2.658 1.383 weight 1.000 ! spec=HCH, no=1883, id=3484, vol=3.090000e+07
assign (resid 28 and name HB1) (resid 28 and name HN) 2.657 2.657 1.383 weight 1.000 ! spec=HCH, no=1884, id=3485, vol=3.100000e+07
assign (resid 42 and name HN) (resid 41 and name HD12) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1885, id=3486, vol=3.100000e+07
    or (resid   42 and name   HN) (resid   41 and name HD11)
    or (resid   42 and name   HN) (resid   41 and name HD13)
assign (resid 105 and name HB1) (resid 105 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1886, id=3487, vol=3.100000e+07
assign (resid 44 and name HG22) (resid 50 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1887, id=3488, vol=3.100000e+07
    or (resid   44 and name HG21) (resid   50 and name   HA)
    or (resid   44 and name HG23) (resid   50 and name   HA)
assign (resid 57 and name HB) (resid 57 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1888, id=3489, vol=3.110000e+07
assign (resid 92 and name HB) (resid 92 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1889, id=3490, vol=3.110000e+07
assign (resid 27 and name HB2) (resid 27 and name HA) 2.652 2.652 1.379 weight 1.000 ! spec=HCH, no=1893, id=3494, vol=3.140000e+07
assign (resid 57 and name HN) (resid 57 and name HG22) 2.652 2.652 1.379 weight 1.000 ! spec=HCH, no=1894, id=3495, vol=3.140000e+07
    or (resid   57 and name   HN) (resid   57 and name HG21)
    or (resid   57 and name   HN) (resid   57 and name HG23)
assign (resid 7 and name HB1) (resid 7 and name HG1) 2.651 2.651 1.378 weight 1.000 ! spec=HCH, no=1900, id=3501, vol=3.150000e+07
assign (resid 23 and name HG12) (resid 23 and name HN) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1901, id=3502, vol=3.150000e+07
    or (resid   23 and name HG11) (resid   23 and name   HN)
    or (resid   23 and name HG13) (resid   23 and name   HN)
assign (resid 61 and name HB1) (resid 61 and name HD1) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1902, id=3503, vol=3.150000e+07
    or (resid   61 and name  HB1) (resid   61 and name  HD2)
assign (resid 72 and name HD12) (resid 70 and name HE1) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1903, id=3504, vol=3.150000e+07
    or (resid   72 and name HD12) (resid   70 and name  HE2)
    or (resid   72 and name HD11) (resid   70 and name  HE1)
    or (resid   72 and name HD11) (resid   70 and name  HE2)
    or (resid   72 and name HD13) (resid   70 and name  HE1)
    or (resid   72 and name HD13) (resid   70 and name  HE2)
assign (resid 39 and name HB2) (resid 34 and name HA) 2.649 2.649 1.377 weight 1.000 ! spec=HCH, no=1905, id=3506, vol=3.160000e+07
    or (resid   39 and name  HB1) (resid   34 and name   HA)
    or (resid   39 and name  HB3) (resid   34 and name   HA)
assign (resid 86 and name HB2) (resid 86 and name HA) 2.649 2.649 1.377 weight 1.000 ! spec=HCH, no=1906, id=3507, vol=3.160000e+07
assign (resid 68 and name HB2) (resid 68 and name HD12) 2.648 2.648 1.377 weight 1.000 ! spec=HCH, no=1909, id=3510, vol=3.170000e+07
    or (resid   68 and name  HB2) (resid   68 and name HD11)
    or (resid   68 and name  HB2) (resid   68 and name HD13)
assign (resid 98 and name HB1) (resid 98 and name HA) 2.648 2.648 1.377 weight 1.000 ! spec=HCH, no=1910, id=3511, vol=3.170000e+07
assign (resid 16 and name HE1) (resid 16 and name HD2) 2.647 2.647 1.376 weight 1.000 ! spec=HCH, no=1916, id=3517, vol=3.170000e+07
assign (resid 123 and name HN) (resid 39 and name HB2) 2.647 2.647 1.376 weight 1.000 ! spec=HCH, no=1917, id=3518, vol=3.170000e+07
    or (resid  123 and name   HN) (resid   39 and name  HB1)
    or (resid  123 and name   HN) (resid   39 and name  HB3)
assign (resid 72 and name HN) (resid 72 and name HD22) 2.646 2.646 1.375 weight 1.000 ! spec=HCH, no=1922, id=3523, vol=3.180000e+07
    or (resid   72 and name   HN) (resid   72 and name HD21)
    or (resid   72 and name   HN) (resid   72 and name HD23)
assign (resid 101 and name HB2) (resid 114 and name HA) 2.645 2.645 1.375 weight 1.000 ! spec=HCH, no=1924, id=3525, vol=3.190000e+07
assign (resid 34 and name HB2) (resid 39 and name HB2) 2.644 2.644 1.374 weight 1.000 ! spec=HCH, no=1926, id=3527, vol=3.190000e+07
    or (resid   34 and name  HB2) (resid   39 and name  HB1)
    or (resid   34 and name  HB2) (resid   39 and name  HB3)
assign (resid 65 and name HA) (resid 65 and name HE3) 2.644 2.644 1.374 weight 1.000 ! spec=HCH, no=1928, id=3529, vol=3.200000e+07
assign (resid 89 and name HN) (resid 89 and name HB) 2.643 2.643 1.373 weight 1.000 ! spec=HCH, no=1930, id=3531, vol=3.200000e+07
assign (resid 53 and name HB2) (resid 53 and name HA) 2.643 2.643 1.373 weight 1.000 ! spec=HCH, no=1931, id=3532, vol=3.200000e+07
assign (resid 73 and name HA) (resid 72 and name HD22) 2.642 2.642 1.373 weight 1.000 ! spec=HCH, no=1933, id=3534, vol=3.210000e+07
    or (resid   73 and name   HA) (resid   72 and name HD21)
    or (resid   73 and name   HA) (resid   72 and name HD23)
assign (resid 16 and name HG1) (resid 125 and name HA) 2.639 2.639 1.371 weight 1.000 ! spec=HCH, no=1940, id=3541, vol=3.230000e+07
assign (resid 109 and name HB) (resid 109 and name HN) 2.639 2.639 1.371 weight 1.000 ! spec=HCH, no=1941, id=3542, vol=3.230000e+07
assign (resid 28 and name HB1) (resid 28 and name HA) 2.638 2.638 1.37 weight 1.000 ! spec=HCH, no=1942, id=3543, vol=3.240000e+07
assign (resid 110 and name HG21) (resid 91 and name HD2) 2.638 2.638 1.37 weight 1.000 ! spec=HCH, no=1943, id=3544, vol=3.240000e+07
    or (resid  110 and name HG21) (resid   91 and name  HD1)
    or (resid  110 and name HG22) (resid   91 and name  HD2)
    or (resid  110 and name HG22) (resid   91 and name  HD1)
    or (resid  110 and name HG23) (resid   91 and name  HD2)
    or (resid  110 and name HG23) (resid   91 and name  HD1)
assign (resid 67 and name HA1) (resid 67 and name HA2) 2.635 2.635 1.368 weight 1.000 ! spec=HCH, no=1946, id=3547, vol=3.260000e+07
assign (resid 109 and name HG22) (resid 92 and name HD12) 2.634 2.634 1.367 weight 1.000 ! spec=HCH, no=1948, id=3549, vol=3.270000e+07
    or (resid  109 and name HG22) (resid   92 and name HD11)
    or (resid  109 and name HG22) (resid   92 and name HD13)
    or (resid  109 and name HG21) (resid   92 and name HD12)
    or (resid  109 and name HG21) (resid   92 and name HD11)
    or (resid  109 and name HG21) (resid   92 and name HD13)
    or (resid  109 and name HG23) (resid   92 and name HD12)
    or (resid  109 and name HG23) (resid   92 and name HD11)
    or (resid  109 and name HG23) (resid   92 and name HD13)
assign (resid 105 and name HB2) (resid 105 and name HA) 2.634 2.634 1.367 weight 1.000 ! spec=HCH, no=1949, id=3550, vol=3.270000e+07
assign (resid 27 and name HB1) (resid 27 and name HA) 2.632 2.632 1.366 weight 1.000 ! spec=HCH, no=1953, id=3554, vol=3.280000e+07
assign (resid 47 and name HA) (resid 47 and name HG2) 2.631 2.631 1.365 weight 1.000 ! spec=HCH, no=1954, id=3555, vol=3.290000e+07
    or (resid   47 and name   HA) (resid   47 and name  HG1)
assign (resid 66 and name HB) (resid 66 and name HA) 2.630 2.630 1.365 weight 1.000 ! spec=HCH, no=1956, id=3557, vol=3.300000e+07
assign (resid 88 and name HN) (resid 88 and name HA) 2.628 2.628 1.364 weight 1.000 ! spec=HCH, no=1957, id=3558, vol=3.310000e+07
assign (resid 66 and name HD12) (resid 68 and name HD12) 2.628 2.628 1.363 weight 1.000 ! spec=HCH, no=1958, id=3559, vol=3.310000e+07
    or (resid   66 and name HD12) (resid   68 and name HD11)
    or (resid   66 and name HD12) (resid   68 and name HD13)
    or (resid   66 and name HD11) (resid   68 and name HD12)
    or (resid   66 and name HD11) (resid   68 and name HD11)
    or (resid   66 and name HD11) (resid   68 and name HD13)
    or (resid   66 and name HD13) (resid   68 and name HD12)
    or (resid   66 and name HD13) (resid   68 and name HD11)
    or (resid   66 and name HD13) (resid   68 and name HD13)
assign (resid 49 and name HN) (resid 48 and name HB2) 2.622 2.622 1.359 weight 1.000 ! spec=HCH, no=1963, id=3564, vol=3.360000e+07
    or (resid   49 and name   HN) (resid   48 and name  HB1)
assign (resid 33 and name HB2) (resid 33 and name HA) 2.622 2.622 1.359 weight 1.000 ! spec=HCH, no=1964, id=3565, vol=3.360000e+07
assign (resid 75 and name HA) (resid 72 and name HD22) 2.621 2.621 1.359 weight 1.000 ! spec=HCH, no=1965, id=3566, vol=3.360000e+07
    or (resid   75 and name   HA) (resid   72 and name HD21)
    or (resid   75 and name   HA) (resid   72 and name HD23)
assign (resid 74 and name HB1) (resid 74 and name HA) 2.621 2.621 1.359 weight 1.000 ! spec=HCH, no=1966, id=3567, vol=3.370000e+07
assign (resid 48 and name HG2) (resid 48 and name HA) 2.619 2.619 1.357 weight 1.000 ! spec=HCH, no=1968, id=3569, vol=3.380000e+07
assign (resid 47 and name HA) (resid 89 and name HG22) 2.617 2.617 1.356 weight 1.000 ! spec=HCH, no=1972, id=3573, vol=3.400000e+07
    or (resid   47 and name   HA) (resid   89 and name HG21)
    or (resid   47 and name   HA) (resid   89 and name HG23)
assign (resid 42 and name HG2) (resid 42 and name HB2) 2.616 2.616 1.356 weight 1.000 ! spec=HCH, no=1974, id=3575, vol=3.400000e+07
assign (resid 60 and name HN) (resid 59 and name HA) 2.616 2.616 1.355 weight 1.000 ! spec=HCH, no=1975, id=3576, vol=3.410000e+07
assign (resid 33 and name HN) (resid 32 and name HG12) 2.616 2.616 1.355 weight 1.000 ! spec=HCH, no=1976, id=3577, vol=3.410000e+07
    or (resid   33 and name   HN) (resid   32 and name HG11)
    or (resid   33 and name   HN) (resid   32 and name HG13)
assign (resid 73 and name HB2) (resid 73 and name HG1) 2.615 2.615 1.354 weight 1.000 ! spec=HCH, no=1978, id=3579, vol=3.420000e+07
    or (resid   73 and name  HB1) (resid   73 and name  HG1)
assign (resid 57 and name HG11) (resid 57 and name HD12) 2.613 2.613 1.354 weight 1.000 ! spec=HCH, no=1979, id=3580, vol=3.430000e+07
    or (resid   57 and name HG11) (resid   57 and name HD11)
    or (resid   57 and name HG11) (resid   57 and name HD13)
assign (resid 60 and name HG2) (resid 60 and name HE2) 2.612 2.612 1.353 weight 1.000 ! spec=HCH, no=1983, id=3584, vol=3.440000e+07
    or (resid   60 and name  HG2) (resid   60 and name  HE1)
    or (resid   60 and name  HG1) (resid   60 and name  HE2)
    or (resid   60 and name  HG1) (resid   60 and name  HE1)
assign (resid 101 and name HA) (resid 69 and name HA) 2.611 2.611 1.352 weight 1.000 ! spec=HCH, no=1985, id=3586, vol=3.450000e+07
assign (resid 127 and name HB1) (resid 127 and name HD1) 2.609 2.609 1.351 weight 1.000 ! spec=HCH, no=1991, id=3592, vol=3.460000e+07
    or (resid  127 and name  HB1) (resid  127 and name  HD2)
assign (resid 59 and name HG1) (resid 59 and name HA) 2.609 2.609 1.351 weight 1.000 ! spec=HCH, no=1993, id=3594, vol=3.460000e+07
assign (resid 121 and name HG11) (resid 121 and name HD12) 2.606 2.606 1.349 weight 1.000 ! spec=HCH, no=1998, id=3599, vol=3.480000e+07
    or (resid  121 and name HG11) (resid  121 and name HD11)
    or (resid  121 and name HG11) (resid  121 and name HD13)
assign (resid 59 and name HB1) (resid 59 and name HG2) 2.606 2.606 1.349 weight 1.000 ! spec=HCH, no=1999, id=3600, vol=3.490000e+07
assign (resid 81 and name HB1) (resid 43 and name HD22) 2.605 2.605 1.349 weight 1.000 ! spec=HCH, no=2000, id=3601, vol=3.490000e+07
    or (resid   81 and name  HB1) (resid   43 and name HD21)
    or (resid   81 and name  HB1) (resid   43 and name HD23)
assign (resid 23 and name HG22) (resid 120 and name HZ2) 2.605 2.605 1.348 weight 1.000 ! spec=HCH, no=2002, id=3603, vol=3.490000e+07
    or (resid   23 and name HG21) (resid  120 and name  HZ2)
    or (resid   23 and name HG23) (resid  120 and name  HZ2)
assign (resid 81 and name HN) (resid 43 and name HD12) 2.605 2.605 1.348 weight 1.000 ! spec=HCH, no=2004, id=3605, vol=3.500000e+07
    or (resid   81 and name   HN) (resid   43 and name HD11)
    or (resid   81 and name   HN) (resid   43 and name HD13)
assign (resid 127 and name HN) (resid 126 and name HA) 2.604 2.604 1.348 weight 1.000 ! spec=HCH, no=2006, id=3607, vol=3.500000e+07
assign (resid 41 and name HN) (resid 40 and name HA) 2.601 2.601 1.346 weight 1.000 ! spec=HCH, no=2009, id=3610, vol=3.520000e+07
assign (resid 108 and name HG1) (resid 108 and name HB2) 2.601 2.601 1.345 weight 1.000 ! spec=HCH, no=2012, id=3613, vol=3.530000e+07
    or (resid  108 and name  HG1) (resid  108 and name  HB1)
assign (resid 66 and name HD12) (resid 68 and name HB2) 2.598 2.598 1.344 weight 1.000 ! spec=HCH, no=2016, id=3617, vol=3.550000e+07
    or (resid   66 and name HD11) (resid   68 and name  HB2)
    or (resid   66 and name HD13) (resid   68 and name  HB2)
assign (resid 97 and name HB1) (resid 97 and name HA) 2.597 2.597 1.343 weight 1.000 ! spec=HCH, no=2019, id=3620, vol=3.560000e+07
assign (resid 105 and name HB2) (resid 110 and name HG21) 2.596 2.596 1.343 weight 1.000 ! spec=HCH, no=2021, id=3622, vol=3.560000e+07
    or (resid  105 and name  HB2) (resid  110 and name HG22)
    or (resid  105 and name  HB2) (resid  110 and name HG23)
assign (resid 120 and name HB2) (resid 41 and name HD12) 2.595 2.595 1.342 weight 1.000 ! spec=HCH, no=2023, id=3624, vol=3.570000e+07
    or (resid  120 and name  HB2) (resid   41 and name HD11)
    or (resid  120 and name  HB2) (resid   41 and name HD13)
assign (resid 45 and name HN) (resid 44 and name HG22) 2.595 2.595 1.342 weight 1.000 ! spec=HCH, no=2026, id=3627, vol=3.580000e+07
    or (resid   45 and name   HN) (resid   44 and name HG21)
    or (resid   45 and name   HN) (resid   44 and name HG23)
assign (resid 59 and name HB2) (resid 59 and name HA) 2.592 2.592 1.34 weight 1.000 ! spec=HCH, no=2033, id=3633, vol=3.600000e+07
assign (resid 69 and name HA) (resid 69 and name HG2) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2035, id=3635, vol=3.610000e+07
    or (resid   69 and name   HA) (resid   69 and name  HG1)
assign (resid 21 and name HB2) (resid 23 and name HG22) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2036, id=3636, vol=3.610000e+07
    or (resid   21 and name  HB2) (resid   23 and name HG21)
    or (resid   21 and name  HB2) (resid   23 and name HG23)
assign (resid 123 and name HG2) (resid 42 and name HA) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2037, id=3637, vol=3.610000e+07
assign (resid 25 and name HB2) (resid 25 and name HA) 2.590 2.590 1.339 weight 1.000 ! spec=HCH, no=2040, id=3640, vol=3.620000e+07
assign (resid 53 and name HD22) (resid 52 and name HD1) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2043, id=3643, vol=3.630000e+07
    or (resid   53 and name HD22) (resid   52 and name  HD2)
    or (resid   53 and name HD21) (resid   52 and name  HD1)
    or (resid   53 and name HD21) (resid   52 and name  HD2)
    or (resid   53 and name HD23) (resid   52 and name  HD1)
    or (resid   53 and name HD23) (resid   52 and name  HD2)
assign (resid 130 and name HA) (resid 130 and name HG21) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2044, id=3644, vol=3.630000e+07
    or (resid  130 and name   HA) (resid  130 and name HG22)
    or (resid  130 and name   HA) (resid  130 and name HG23)
assign (resid 85 and name HD22) (resid 68 and name HD12) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2045, id=3645, vol=3.630000e+07
    or (resid   85 and name HD22) (resid   68 and name HD11)
    or (resid   85 and name HD22) (resid   68 and name HD13)
    or (resid   85 and name HD21) (resid   68 and name HD12)
    or (resid   85 and name HD21) (resid   68 and name HD11)
    or (resid   85 and name HD21) (resid   68 and name HD13)
    or (resid   85 and name HD23) (resid   68 and name HD12)
    or (resid   85 and name HD23) (resid   68 and name HD11)
    or (resid   85 and name HD23) (resid   68 and name HD13)
assign (resid 28 and name HA) (resid 27 and name HZ3) 2.588 2.588 1.337 weight 1.000 ! spec=HCH, no=2046, id=3646, vol=3.630000e+07
assign (resid 45 and name HB2) (resid 45 and name HA) 2.581 2.581 1.332 weight 1.000 ! spec=HCH, no=2055, id=3655, vol=3.700000e+07
assign (resid 7 and name HD1) (resid 6 and name HA) 2.580 2.580 1.332 weight 1.000 ! spec=HCH, no=2057, id=3657, vol=3.700000e+07
assign (resid 21 and name HB2) (resid 21 and name HA) 2.580 2.580 1.332 weight 1.000 ! spec=HCH, no=2058, id=3658, vol=3.700000e+07
assign (resid 78 and name HE2) (resid 78 and name HG2) 2.579 2.579 1.331 weight 1.000 ! spec=HCH, no=2060, id=3660, vol=3.710000e+07
    or (resid   78 and name  HE1) (resid   78 and name  HG2)
assign (resid 77 and name HB2) (resid 77 and name HB1) 2.578 2.578 1.331 weight 1.000 ! spec=HCH, no=2062, id=3662, vol=3.710000e+07
assign (resid 11 and name HB2) (resid 11 and name HD22) 2.577 2.577 1.33 weight 1.000 ! spec=HCH, no=2064, id=3664, vol=3.730000e+07
    or (resid   11 and name  HB2) (resid   11 and name HD21)
    or (resid   11 and name  HB2) (resid   11 and name HD23)
    or (resid   11 and name  HB1) (resid   11 and name HD22)
    or (resid   11 and name  HB1) (resid   11 and name HD21)
    or (resid   11 and name  HB1) (resid   11 and name HD23)
assign (resid 80 and name HG22) (resid 43 and name HD12) 2.574 2.574 1.328 weight 1.000 ! spec=HCH, no=2068, id=3668, vol=3.750000e+07
    or (resid   80 and name HG22) (resid   43 and name HD11)
    or (resid   80 and name HG22) (resid   43 and name HD13)
    or (resid   80 and name HG21) (resid   43 and name HD12)
    or (resid   80 and name HG21) (resid   43 and name HD11)
    or (resid   80 and name HG21) (resid   43 and name HD13)
    or (resid   80 and name HG23) (resid   43 and name HD12)
    or (resid   80 and name HG23) (resid   43 and name HD11)
    or (resid   80 and name HG23) (resid   43 and name HD13)
assign (resid 9 and name HB2) (resid 9 and name HA) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2075, id=3675, vol=3.810000e+07
assign (resid 69 and name HG2) (resid 69 and name HD2) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2076, id=3676, vol=3.810000e+07
    or (resid   69 and name  HG1) (resid   69 and name  HD2)
assign (resid 116 and name HB2) (resid 116 and name HA) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2077, id=3677, vol=3.810000e+07
assign (resid 97 and name HB1) (resid 97 and name HG2) 2.567 2.567 1.324 weight 1.000 ! spec=HCH, no=2078, id=3678, vol=3.820000e+07
assign (resid 34 and name HB2) (resid 34 and name HA) 2.566 2.566 1.323 weight 1.000 ! spec=HCH, no=2080, id=3680, vol=3.820000e+07
assign (resid 19 and name HB2) (resid 19 and name HB1) 2.563 2.563 1.321 weight 1.000 ! spec=HCH, no=2083, id=3683, vol=3.850000e+07
assign (resid 34 and name HB1) (resid 34 and name HA) 2.562 2.562 1.321 weight 1.000 ! spec=HCH, no=2084, id=3684, vol=3.860000e+07
assign (resid 45 and name HB1) (resid 45 and name HA) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2088, id=3688, vol=3.880000e+07
assign (resid 71 and name HA) (resid 71 and name HB) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2089, id=3689, vol=3.890000e+07
assign (resid 73 and name HD2) (resid 73 and name HG2) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2090, id=3690, vol=3.890000e+07
assign (resid 52 and name HA) (resid 52 and name HD1) 2.558 2.558 1.318 weight 1.000 ! spec=HCH, no=2092, id=3692, vol=3.900000e+07
    or (resid   52 and name   HA) (resid   52 and name  HD2)
assign (resid 54 and name HB1) (resid 54 and name HA) 2.558 2.558 1.318 weight 1.000 ! spec=HCH, no=2094, id=3694, vol=3.900000e+07
assign (resid 97 and name HB2) (resid 97 and name HA) 2.556 2.556 1.317 weight 1.000 ! spec=HCH, no=2095, id=3695, vol=3.910000e+07
assign (resid 47 and name HA) (resid 50 and name HB2) 2.556 2.556 1.317 weight 1.000 ! spec=HCH, no=2096, id=3696, vol=3.920000e+07
assign (resid 125 and name HA) (resid 16 and name HA) 2.556 2.556 1.316 weight 1.000 ! spec=HCH, no=2097, id=3697, vol=3.920000e+07
assign (resid 66 and name HG11) (resid 66 and name HD12) 2.554 2.554 1.315 weight 1.000 ! spec=HCH, no=2101, id=3701, vol=3.930000e+07
    or (resid   66 and name HG11) (resid   66 and name HD11)
    or (resid   66 and name HG11) (resid   66 and name HD13)
assign (resid 53 and name HB1) (resid 53 and name HA) 2.552 2.552 1.314 weight 1.000 ! spec=HCH, no=2105, id=3705, vol=3.950000e+07
assign (resid 79 and name HB1) (resid 43 and name HD12) 2.551 2.551 1.313 weight 1.000 ! spec=HCH, no=2111, id=3711, vol=3.970000e+07
    or (resid   79 and name  HB1) (resid   43 and name HD11)
    or (resid   79 and name  HB1) (resid   43 and name HD13)
assign (resid 90 and name HB1) (resid 90 and name HD22) 2.550 2.550 1.313 weight 1.000 ! spec=HCH, no=2112, id=3712, vol=3.970000e+07
    or (resid   90 and name  HB1) (resid   90 and name HD21)
    or (resid   90 and name  HB1) (resid   90 and name HD23)
    or (resid   90 and name  HB1) (resid   90 and name HD12)
    or (resid   90 and name  HB1) (resid   90 and name HD11)
    or (resid   90 and name  HB1) (resid   90 and name HD13)
assign (resid 115 and name HB2) (resid 115 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2121, id=3721, vol=4.000000e+07
assign (resid 115 and name HB1) (resid 115 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2122, id=3722, vol=4.000000e+07
assign (resid 62 and name HB2) (resid 62 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2124, id=3724, vol=4.000000e+07
    or (resid   62 and name  HB1) (resid   62 and name   HA)
assign (resid 92 and name HG22) (resid 111 and name HD1) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2126, id=3726, vol=4.010000e+07
    or (resid   92 and name HG22) (resid  111 and name  HD2)
    or (resid   92 and name HG21) (resid  111 and name  HD1)
    or (resid   92 and name HG21) (resid  111 and name  HD2)
    or (resid   92 and name HG23) (resid  111 and name  HD1)
    or (resid   92 and name HG23) (resid  111 and name  HD2)
assign (resid 24 and name HA) (resid 24 and name HB2) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2127, id=3727, vol=4.010000e+07
assign (resid 121 and name HN) (resid 41 and name HD12) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2129, id=3729, vol=4.010000e+07
    or (resid  121 and name   HN) (resid   41 and name HD11)
    or (resid  121 and name   HN) (resid   41 and name HD13)
assign (resid 68 and name HA) (resid 68 and name HD22) 2.538 2.538 1.305 weight 1.000 ! spec=HCH, no=2137, id=3737, vol=4.080000e+07
    or (resid   68 and name   HA) (resid   68 and name HD21)
    or (resid   68 and name   HA) (resid   68 and name HD23)
assign (resid 69 and name HN) (resid 68 and name HD22) 2.538 2.538 1.305 weight 1.000 ! spec=HCH, no=2138, id=3738, vol=4.080000e+07
    or (resid   69 and name   HN) (resid   68 and name HD21)
    or (resid   69 and name   HN) (resid   68 and name HD23)
assign (resid 96 and name HG21) (resid 96 and name HA) 2.537 2.537 1.305 weight 1.000 ! spec=HCH, no=2139, id=3739, vol=4.090000e+07
    or (resid   96 and name HG22) (resid   96 and name   HA)
    or (resid   96 and name HG23) (resid   96 and name   HA)
assign (resid 68 and name HD12) (resid 85 and name HD12) 2.536 2.536 1.304 weight 1.000 ! spec=HCH, no=2140, id=3740, vol=4.100000e+07
    or (resid   68 and name HD12) (resid   85 and name HD11)
    or (resid   68 and name HD12) (resid   85 and name HD13)
    or (resid   68 and name HD11) (resid   85 and name HD12)
    or (resid   68 and name HD11) (resid   85 and name HD11)
    or (resid   68 and name HD11) (resid   85 and name HD13)
    or (resid   68 and name HD13) (resid   85 and name HD12)
    or (resid   68 and name HD13) (resid   85 and name HD11)
    or (resid   68 and name HD13) (resid   85 and name HD13)
assign (resid 118 and name HB1) (resid 118 and name HB2) 2.535 2.535 1.303 weight 1.000 ! spec=HCH, no=2143, id=3743, vol=4.120000e+07
assign (resid 57 and name HG22) (resid 104 and name HG22) 2.534 2.534 1.303 weight 1.000 ! spec=HCH, no=2147, id=3747, vol=4.120000e+07
    or (resid   57 and name HG22) (resid  104 and name HG21)
    or (resid   57 and name HG22) (resid  104 and name HG23)
    or (resid   57 and name HG21) (resid  104 and name HG22)
    or (resid   57 and name HG21) (resid  104 and name HG21)
    or (resid   57 and name HG21) (resid  104 and name HG23)
    or (resid   57 and name HG23) (resid  104 and name HG22)
    or (resid   57 and name HG23) (resid  104 and name HG21)
    or (resid   57 and name HG23) (resid  104 and name HG23)
assign (resid 40 and name HA) (resid 40 and name HB) 2.534 2.534 1.302 weight 1.000 ! spec=HCH, no=2148, id=3748, vol=4.130000e+07
assign (resid 129 and name HG2) (resid 129 and name HA) 2.533 2.533 1.302 weight 1.000 ! spec=HCH, no=2150, id=3750, vol=4.130000e+07
    or (resid  129 and name  HG1) (resid  129 and name   HA)
assign (resid 59 and name HB1) (resid 59 and name HG1) 2.533 2.533 1.302 weight 1.000 ! spec=HCH, no=2151, id=3751, vol=4.140000e+07
assign (resid 24 and name HA) (resid 24 and name HB1) 2.532 2.532 1.302 weight 1.000 ! spec=HCH, no=2152, id=3752, vol=4.140000e+07
assign (resid 11 and name HD22) (resid 18 and name HB1) 2.532 2.532 1.301 weight 1.000 ! spec=HCH, no=2156, id=3756, vol=4.150000e+07
    or (resid   11 and name HD21) (resid   18 and name  HB1)
    or (resid   11 and name HD23) (resid   18 and name  HB1)
assign (resid 69 and name HB1) (resid 69 and name HA) 2.532 2.532 1.301 weight 1.000 ! spec=HCH, no=2157, id=3757, vol=4.150000e+07
assign (resid 86 and name HB1) (resid 86 and name HA) 2.531 2.531 1.301 weight 1.000 ! spec=HCH, no=2159, id=3759, vol=4.160000e+07
assign (resid 21 and name HB1) (resid 21 and name HA) 2.530 2.530 1.3 weight 1.000 ! spec=HCH, no=2163, id=3763, vol=4.160000e+07
assign (resid 106 and name HN) (resid 104 and name HG22) 2.530 2.530 1.3 weight 1.000 ! spec=HCH, no=2164, id=3764, vol=4.170000e+07
    or (resid  106 and name   HN) (resid  104 and name HG21)
    or (resid  106 and name   HN) (resid  104 and name HG23)
assign (resid 83 and name HB1) (resid 83 and name HA) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2165, id=3765, vol=4.180000e+07
assign (resid 80 and name HB) (resid 80 and name HD12) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2166, id=3766, vol=4.180000e+07
    or (resid   80 and name   HB) (resid   80 and name HD11)
    or (resid   80 and name   HB) (resid   80 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HA2) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2169, id=3769, vol=4.180000e+07
assign (resid 16 and name HB1) (resid 16 and name HD1) 2.527 2.527 1.298 weight 1.000 ! spec=HCH, no=2170, id=3770, vol=4.190000e+07
assign (resid 126 and name HB2) (resid 126 and name HD12) 2.527 2.527 1.298 weight 1.000 ! spec=HCH, no=2171, id=3771, vol=4.190000e+07
    or (resid  126 and name  HB2) (resid  126 and name HD11)
    or (resid  126 and name  HB2) (resid  126 and name HD13)
assign (resid 113 and name HB2) (resid 113 and name HA) 2.525 2.525 1.297 weight 1.000 ! spec=HCH, no=2175, id=3775, vol=4.220000e+07
assign (resid 121 and name HG22) (resid 18 and name HD1) 2.524 2.524 1.296 weight 1.000 ! spec=HCH, no=2176, id=3776, vol=4.220000e+07
    or (resid  121 and name HG22) (resid   18 and name  HD2)
    or (resid  121 and name HG21) (resid   18 and name  HD1)
    or (resid  121 and name HG21) (resid   18 and name  HD2)
    or (resid  121 and name HG23) (resid   18 and name  HD1)
    or (resid  121 and name HG23) (resid   18 and name  HD2)
assign (resid 99 and name HB1) (resid 99 and name HA) 2.520 2.520 1.294 weight 1.000 ! spec=HCH, no=2181, id=3780, vol=4.270000e+07
assign (resid 46 and name HN) (resid 46 and name HA) 2.519 2.519 1.293 weight 1.000 ! spec=HCH, no=2183, id=3782, vol=4.270000e+07
assign (resid 85 and name HB2) (resid 85 and name HD22) 2.519 2.519 1.293 weight 1.000 ! spec=HCH, no=2184, id=3783, vol=4.270000e+07
    or (resid   85 and name  HB2) (resid   85 and name HD21)
    or (resid   85 and name  HB2) (resid   85 and name HD23)
assign (resid 72 and name HD22) (resid 70 and name HE1) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2189, id=3788, vol=4.280000e+07
    or (resid   72 and name HD22) (resid   70 and name  HE2)
    or (resid   72 and name HD21) (resid   70 and name  HE1)
    or (resid   72 and name HD21) (resid   70 and name  HE2)
    or (resid   72 and name HD23) (resid   70 and name  HE1)
    or (resid   72 and name HD23) (resid   70 and name  HE2)
assign (resid 68 and name HD22) (resid 85 and name HD12) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2190, id=3789, vol=4.280000e+07
    or (resid   68 and name HD22) (resid   85 and name HD11)
    or (resid   68 and name HD22) (resid   85 and name HD13)
    or (resid   68 and name HD21) (resid   85 and name HD12)
    or (resid   68 and name HD21) (resid   85 and name HD11)
    or (resid   68 and name HD21) (resid   85 and name HD13)
    or (resid   68 and name HD23) (resid   85 and name HD12)
    or (resid   68 and name HD23) (resid   85 and name HD11)
    or (resid   68 and name HD23) (resid   85 and name HD13)
assign (resid 39 and name HB2) (resid 37 and name HB1) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2191, id=3790, vol=4.280000e+07
    or (resid   39 and name  HB1) (resid   37 and name  HB1)
    or (resid   39 and name  HB3) (resid   37 and name  HB1)
assign (resid 89 and name HG22) (resid 90 and name HN) 2.517 2.517 1.292 weight 1.000 ! spec=HCH, no=2192, id=3791, vol=4.290000e+07
    or (resid   89 and name HG21) (resid   90 and name   HN)
    or (resid   89 and name HG23) (resid   90 and name   HN)
assign (resid 37 and name HG2) (resid 37 and name HA) 2.517 2.517 1.292 weight 1.000 ! spec=HCH, no=2194, id=3793, vol=4.300000e+07
assign (resid 117 and name HB2) (resid 24 and name HB1) 2.516 2.516 1.291 weight 1.000 ! spec=HCH, no=2196, id=3795, vol=4.310000e+07
    or (resid  117 and name  HB1) (resid   24 and name  HB1)
assign (resid 72 and name HB2) (resid 73 and name HA) 2.515 2.515 1.291 weight 1.000 ! spec=HCH, no=2198, id=3797, vol=4.320000e+07
assign (resid 42 and name HB2) (resid 66 and name HG22) 2.514 2.514 1.29 weight 1.000 ! spec=HCH, no=2200, id=3799, vol=4.330000e+07
    or (resid   42 and name  HB2) (resid   66 and name HG21)
    or (resid   42 and name  HB2) (resid   66 and name HG23)
assign (resid 48 and name HG1) (resid 48 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HCH, no=2203, id=3802, vol=4.340000e+07
assign (resid 11 and name HD22) (resid 18 and name HD1) 2.513 2.513 1.289 weight 1.000 ! spec=HCH, no=2205, id=3804, vol=4.340000e+07
    or (resid   11 and name HD22) (resid   18 and name  HD2)
    or (resid   11 and name HD21) (resid   18 and name  HD1)
    or (resid   11 and name HD21) (resid   18 and name  HD2)
    or (resid   11 and name HD23) (resid   18 and name  HD1)
    or (resid   11 and name HD23) (resid   18 and name  HD2)
assign (resid 119 and name HG1) (resid 119 and name HG2) 2.512 2.512 1.289 weight 1.000 ! spec=HCH, no=2207, id=3806, vol=4.340000e+07
assign (resid 37 and name HA) (resid 37 and name HD2) 2.510 2.510 1.288 weight 1.000 ! spec=HCH, no=2210, id=3809, vol=4.360000e+07
assign (resid 13 and name HB1) (resid 13 and name HA) 2.510 2.510 1.287 weight 1.000 ! spec=HCH, no=2212, id=3810, vol=4.370000e+07
assign (resid 53 and name HD22) (resid 18 and name HD1) 2.509 2.509 1.287 weight 1.000 ! spec=HCH, no=2213, id=3811, vol=4.370000e+07
    or (resid   53 and name HD22) (resid   18 and name  HD2)
    or (resid   53 and name HD21) (resid   18 and name  HD1)
    or (resid   53 and name HD21) (resid   18 and name  HD2)
    or (resid   53 and name HD23) (resid   18 and name  HD1)
    or (resid   53 and name HD23) (resid   18 and name  HD2)
assign (resid 5 and name HB1) (resid 5 and name HA) 2.508 2.508 1.286 weight 1.000 ! spec=HCH, no=2216, id=3814, vol=4.390000e+07
assign (resid 117 and name HB2) (resid 117 and name HA) 2.508 2.508 1.286 weight 1.000 ! spec=HCH, no=2217, id=3815, vol=4.390000e+07
    or (resid  117 and name  HB1) (resid  117 and name   HA)
assign (resid 87 and name HB1) (resid 87 and name HA) 2.505 2.505 1.285 weight 1.000 ! spec=HCH, no=2224, id=3822, vol=4.410000e+07
assign (resid 52 and name HB2) (resid 52 and name HA) 2.505 2.505 1.284 weight 1.000 ! spec=HCH, no=2226, id=3824, vol=4.420000e+07
assign (resid 51 and name HB2) (resid 48 and name HA) 2.503 2.503 1.283 weight 1.000 ! spec=HCH, no=2228, id=3826, vol=4.440000e+07
    or (resid   51 and name  HB1) (resid   48 and name   HA)
assign (resid 31 and name HB1) (resid 31 and name HB2) 2.501 2.501 1.282 weight 1.000 ! spec=HCH, no=2231, id=3829, vol=4.460000e+07
assign (resid 104 and name HD12) (resid 53 and name HB2) 2.499 2.499 1.281 weight 1.000 ! spec=HCH, no=2236, id=3834, vol=4.480000e+07
    or (resid  104 and name HD11) (resid   53 and name  HB2)
    or (resid  104 and name HD13) (resid   53 and name  HB2)
assign (resid 20 and name HG22) (resid 57 and name HD12) 2.498 2.498 1.28 weight 1.000 ! spec=HCH, no=2239, id=3837, vol=4.490000e+07
    or (resid   20 and name HG22) (resid   57 and name HD11)
    or (resid   20 and name HG22) (resid   57 and name HD13)
    or (resid   20 and name HG21) (resid   57 and name HD12)
    or (resid   20 and name HG21) (resid   57 and name HD11)
    or (resid   20 and name HG21) (resid   57 and name HD13)
    or (resid   20 and name HG23) (resid   57 and name HD12)
    or (resid   20 and name HG23) (resid   57 and name HD11)
    or (resid   20 and name HG23) (resid   57 and name HD13)
assign (resid 41 and name HB2) (resid 41 and name HD22) 2.496 2.496 1.279 weight 1.000 ! spec=HCH, no=2243, id=3841, vol=4.520000e+07
    or (resid   41 and name  HB2) (resid   41 and name HD21)
    or (resid   41 and name  HB2) (resid   41 and name HD23)
assign (resid 54 and name HB2) (resid 54 and name HA) 2.496 2.496 1.279 weight 1.000 ! spec=HCH, no=2244, id=3842, vol=4.520000e+07
assign (resid 65 and name HA) (resid 103 and name HB2) 2.495 2.495 1.278 weight 1.000 ! spec=HCH, no=2245, id=3843, vol=4.520000e+07
    or (resid   65 and name   HA) (resid  103 and name  HB1)
    or (resid   65 and name   HA) (resid  103 and name  HB3)
assign (resid 95 and name HB1) (resid 95 and name HA) 2.495 2.495 1.278 weight 1.000 ! spec=HCH, no=2246, id=3844, vol=4.520000e+07
assign (resid 40 and name HN) (resid 39 and name HA) 2.493 2.493 1.277 weight 1.000 ! spec=HCH, no=2251, id=3849, vol=4.550000e+07
assign (resid 23 and name HG22) (resid 23 and name HA) 2.492 2.492 1.276 weight 1.000 ! spec=HCH, no=2257, id=3854, vol=4.560000e+07
    or (resid   23 and name HG21) (resid   23 and name   HA)
    or (resid   23 and name HG23) (resid   23 and name   HA)
assign (resid 60 and name HG2) (resid 60 and name HA) 2.491 2.491 1.276 weight 1.000 ! spec=HCH, no=2259, id=3856, vol=4.570000e+07
    or (resid   60 and name  HG1) (resid   60 and name   HA)
assign (resid 41 and name HD12) (resid 120 and name HD1) 2.488 2.488 1.274 weight 1.000 ! spec=HCH, no=2263, id=3860, vol=4.600000e+07
    or (resid   41 and name HD11) (resid  120 and name  HD1)
    or (resid   41 and name HD13) (resid  120 and name  HD1)
assign (resid 84 and name HB) (resid 84 and name HA) 2.488 2.488 1.274 weight 1.000 ! spec=HCH, no=2264, id=3861, vol=4.610000e+07
assign (resid 22 and name HG2) (resid 22 and name HB1) 2.487 2.487 1.273 weight 1.000 ! spec=HCH, no=2265, id=3862, vol=4.610000e+07
assign (resid 42 and name HB1) (resid 66 and name HG22) 2.486 2.486 1.273 weight 1.000 ! spec=HCH, no=2268, id=3865, vol=4.630000e+07
    or (resid   42 and name  HB1) (resid   66 and name HG21)
    or (resid   42 and name  HB1) (resid   66 and name HG23)
assign (resid 101 and name HB2) (resid 101 and name HB1) 2.485 2.485 1.272 weight 1.000 ! spec=HCH, no=2271, id=3868, vol=4.640000e+07
assign (resid 90 and name HB2) (resid 90 and name HD22) 2.485 2.485 1.272 weight 1.000 ! spec=HCH, no=2272, id=3869, vol=4.640000e+07
    or (resid   90 and name  HB2) (resid   90 and name HD21)
    or (resid   90 and name  HB2) (resid   90 and name HD23)
    or (resid   90 and name  HB2) (resid   90 and name HD12)
    or (resid   90 and name  HB2) (resid   90 and name HD11)
    or (resid   90 and name  HB2) (resid   90 and name HD13)
assign (resid 57 and name HA) (resid 57 and name HD12) 2.481 2.481 1.269 weight 1.000 ! spec=HCH, no=2278, id=3874, vol=4.680000e+07
    or (resid   57 and name   HA) (resid   57 and name HD11)
    or (resid   57 and name   HA) (resid   57 and name HD13)
assign (resid 98 and name HB2) (resid 98 and name HA) 2.480 2.480 1.269 weight 1.000 ! spec=HCH, no=2279, id=3875, vol=4.690000e+07
assign (resid 60 and name HB2) (resid 60 and name HG2) 2.478 2.478 1.268 weight 1.000 ! spec=HCH, no=2285, id=3881, vol=4.710000e+07
    or (resid   60 and name  HB2) (resid   60 and name  HG1)
assign (resid 95 and name HB2) (resid 95 and name HA) 2.478 2.478 1.268 weight 1.000 ! spec=HCH, no=2286, id=3882, vol=4.710000e+07
assign (resid 121 and name HD12) (resid 57 and name HD12) 2.478 2.478 1.267 weight 1.000 ! spec=HCH, no=2290, id=3886, vol=4.720000e+07
    or (resid  121 and name HD12) (resid   57 and name HD11)
    or (resid  121 and name HD12) (resid   57 and name HD13)
    or (resid  121 and name HD11) (resid   57 and name HD12)
    or (resid  121 and name HD11) (resid   57 and name HD11)
    or (resid  121 and name HD11) (resid   57 and name HD13)
    or (resid  121 and name HD13) (resid   57 and name HD12)
    or (resid  121 and name HD13) (resid   57 and name HD11)
    or (resid  121 and name HD13) (resid   57 and name HD13)
assign (resid 116 and name HB1) (resid 116 and name HA) 2.475 2.475 1.266 weight 1.000 ! spec=HCH, no=2294, id=3890, vol=4.740000e+07
assign (resid 28 and name HB2) (resid 28 and name HG1) 2.475 2.475 1.266 weight 1.000 ! spec=HCH, no=2295, id=3891, vol=4.750000e+07
assign (resid 66 and name HB) (resid 66 and name HD12) 2.475 2.475 1.265 weight 1.000 ! spec=HCH, no=2296, id=3892, vol=4.760000e+07
    or (resid   66 and name   HB) (resid   66 and name HD11)
    or (resid   66 and name   HB) (resid   66 and name HD13)
assign (resid 35 and name HB2) (resid 35 and name HA) 2.474 2.474 1.265 weight 1.000 ! spec=HCH, no=2299, id=3895, vol=4.760000e+07
assign (resid 52 and name HB1) (resid 52 and name HA) 2.473 2.473 1.265 weight 1.000 ! spec=HCH, no=2300, id=3896, vol=4.770000e+07
assign (resid 16 and name HB2) (resid 16 and name HG2) 2.473 2.473 1.264 weight 1.000 ! spec=HCH, no=2301, id=3897, vol=4.770000e+07
assign (resid 50 and name HB2) (resid 50 and name HB1) 2.473 2.473 1.264 weight 1.000 ! spec=HCH, no=2302, id=3898, vol=4.780000e+07
assign (resid 125 and name HG2) (resid 125 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2303, id=3899, vol=4.780000e+07
assign (resid 81 and name HB2) (resid 81 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2304, id=3900, vol=4.780000e+07
assign (resid 72 and name HB1) (resid 73 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2305, id=3901, vol=4.790000e+07
assign (resid 13 and name HB1) (resid 13 and name HB2) 2.471 2.471 1.263 weight 1.000 ! spec=HCH, no=2306, id=3902, vol=4.790000e+07
assign (resid 60 and name HB1) (resid 60 and name HG2) 2.470 2.470 1.263 weight 1.000 ! spec=HCH, no=2307, id=3903, vol=4.810000e+07
    or (resid   60 and name  HB1) (resid   60 and name  HG1)
assign (resid 85 and name HB1) (resid 85 and name HD22) 2.469 2.469 1.262 weight 1.000 ! spec=HCH, no=2308, id=3904, vol=4.820000e+07
    or (resid   85 and name  HB1) (resid   85 and name HD21)
    or (resid   85 and name  HB1) (resid   85 and name HD23)
assign (resid 53 and name HB1) (resid 53 and name HG) 2.467 2.467 1.261 weight 1.000 ! spec=HCH, no=2310, id=3906, vol=4.840000e+07
assign (resid 40 and name HG21) (resid 80 and name HG11) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2313, id=3909, vol=4.880000e+07
    or (resid   40 and name HG22) (resid   80 and name HG11)
    or (resid   40 and name HG23) (resid   80 and name HG11)
assign (resid 121 and name HG22) (resid 121 and name HG12) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2314, id=3910, vol=4.880000e+07
    or (resid  121 and name HG21) (resid  121 and name HG12)
    or (resid  121 and name HG23) (resid  121 and name HG12)
assign (resid 5 and name HG2) (resid 5 and name HA) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2317, id=3913, vol=4.880000e+07
    or (resid    5 and name  HG1) (resid    5 and name   HA)
assign (resid 43 and name HB1) (resid 43 and name HG) 2.463 2.463 1.258 weight 1.000 ! spec=HCH, no=2319, id=3915, vol=4.890000e+07
assign (resid 97 and name HN) (resid 96 and name HA) 2.463 2.463 1.258 weight 1.000 ! spec=HCH, no=2320, id=3916, vol=4.890000e+07
assign (resid 75 and name HG2) (resid 72 and name HD22) 2.462 2.462 1.257 weight 1.000 ! spec=HCH, no=2323, id=3919, vol=4.910000e+07
    or (resid   75 and name  HG2) (resid   72 and name HD21)
    or (resid   75 and name  HG2) (resid   72 and name HD23)
assign (resid 40 and name HN) (resid 40 and name HG21) 2.461 2.461 1.257 weight 1.000 ! spec=HCH, no=2324, id=3920, vol=4.910000e+07
    or (resid   40 and name   HN) (resid   40 and name HG22)
    or (resid   40 and name   HN) (resid   40 and name HG23)
assign (resid 129 and name HB2) (resid 129 and name HA) 2.460 2.460 1.256 weight 1.000 ! spec=HCH, no=2328, id=3924, vol=4.930000e+07
assign (resid 78 and name HG2) (resid 84 and name HA) 2.459 2.459 1.256 weight 1.000 ! spec=HCH, no=2331, id=3927, vol=4.940000e+07
assign (resid 126 and name HD12) (resid 126 and name HA) 2.458 2.458 1.255 weight 1.000 ! spec=HCH, no=2332, id=3928, vol=4.950000e+07
    or (resid  126 and name HD11) (resid  126 and name   HA)
    or (resid  126 and name HD13) (resid  126 and name   HA)
assign (resid 108 and name HG2) (resid 108 and name HB2) 2.456 2.456 1.254 weight 1.000 ! spec=HCH, no=2338, id=3934, vol=4.970000e+07
    or (resid  108 and name  HG2) (resid  108 and name  HB1)
assign (resid 123 and name HE22) (resid 43 and name HD22) 2.456 2.456 1.254 weight 1.000 ! spec=HCH, no=2339, id=3935, vol=4.980000e+07
    or (resid  123 and name HE22) (resid   43 and name HD21)
    or (resid  123 and name HE22) (resid   43 and name HD23)
assign (resid 124 and name HG2) (resid 124 and name HA) 2.454 2.454 1.253 weight 1.000 ! spec=HCH, no=2341, id=3937, vol=5.000000e+07
assign (resid 49 and name HB2) (resid 49 and name HA) 2.450 2.450 1.25 weight 1.000 ! spec=HCH, no=2347, id=3943, vol=5.050000e+07
assign (resid 112 and name HB2) (resid 112 and name HA) 2.450 2.450 1.25 weight 1.000 ! spec=HCH, no=2350, id=3946, vol=5.050000e+07
assign (resid 89 and name HA) (resid 89 and name HG22) 2.448 2.448 1.249 weight 1.000 ! spec=HCH, no=2352, id=3948, vol=5.070000e+07
    or (resid   89 and name   HA) (resid   89 and name HG21)
    or (resid   89 and name   HA) (resid   89 and name HG23)
assign (resid 42 and name HB1) (resid 121 and name HG22) 2.446 2.446 1.248 weight 1.000 ! spec=HCH, no=2355, id=3951, vol=5.100000e+07
    or (resid   42 and name  HB1) (resid  121 and name HG21)
    or (resid   42 and name  HB1) (resid  121 and name HG23)
assign (resid 57 and name HG22) (resid 60 and name HG2) 2.446 2.446 1.248 weight 1.000 ! spec=HCH, no=2357, id=3953, vol=5.100000e+07
    or (resid   57 and name HG22) (resid   60 and name  HG1)
    or (resid   57 and name HG21) (resid   60 and name  HG2)
    or (resid   57 and name HG21) (resid   60 and name  HG1)
    or (resid   57 and name HG23) (resid   60 and name  HG2)
    or (resid   57 and name HG23) (resid   60 and name  HG1)
assign (resid 51 and name HA) (resid 54 and name HD12) 2.445 2.445 1.247 weight 1.000 ! spec=HCH, no=2359, id=3955, vol=5.110000e+07
    or (resid   51 and name   HA) (resid   54 and name HD11)
    or (resid   51 and name   HA) (resid   54 and name HD13)
assign (resid 72 and name HD12) (resid 75 and name HG1) 2.443 2.443 1.246 weight 1.000 ! spec=HCH, no=2362, id=3958, vol=5.140000e+07
    or (resid   72 and name HD11) (resid   75 and name  HG1)
    or (resid   72 and name HD13) (resid   75 and name  HG1)
assign (resid 66 and name HG11) (resid 66 and name HG12) 2.442 2.442 1.245 weight 1.000 ! spec=HCH, no=2364, id=3960, vol=5.150000e+07
assign (resid 87 and name HB2) (resid 87 and name HA) 2.441 2.441 1.245 weight 1.000 ! spec=HCH, no=2365, id=3961, vol=5.160000e+07
assign (resid 93 and name HB) (resid 93 and name HA) 2.440 2.440 1.244 weight 1.000 ! spec=HCH, no=2367, id=3963, vol=5.170000e+07
assign (resid 57 and name HG22) (resid 64 and name HZ) 2.439 2.439 1.244 weight 1.000 ! spec=HCH, no=2370, id=3966, vol=5.190000e+07
    or (resid   57 and name HG21) (resid   64 and name   HZ)
    or (resid   57 and name HG23) (resid   64 and name   HZ)
assign (resid 33 and name HB1) (resid 33 and name HA) 2.439 2.439 1.243 weight 1.000 ! spec=HCH, no=2371, id=3967, vol=5.190000e+07
assign (resid 135 and name HB) (resid 135 and name HG12) 2.438 2.438 1.243 weight 1.000 ! spec=HCH, no=2372, id=3968, vol=5.190000e+07
    or (resid  135 and name   HB) (resid  135 and name HG11)
    or (resid  135 and name   HB) (resid  135 and name HG13)
assign (resid 20 and name HN) (resid 20 and name HG22) 2.438 2.438 1.243 weight 1.000 ! spec=HCH, no=2373, id=3969, vol=5.200000e+07
    or (resid   20 and name   HN) (resid   20 and name HG21)
    or (resid   20 and name   HN) (resid   20 and name HG23)
assign (resid 53 and name HB2) (resid 53 and name HD22) 2.437 2.437 1.243 weight 1.000 ! spec=HCH, no=2375, id=3971, vol=5.210000e+07
    or (resid   53 and name  HB2) (resid   53 and name HD21)
    or (resid   53 and name  HB2) (resid   53 and name HD23)
assign (resid 53 and name HA) (resid 53 and name HD12) 2.436 2.436 1.242 weight 1.000 ! spec=HCH, no=2376, id=3972, vol=5.220000e+07
    or (resid   53 and name   HA) (resid   53 and name HD11)
    or (resid   53 and name   HA) (resid   53 and name HD13)
assign (resid 41 and name HD12) (resid 41 and name HB2) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2379, id=3975, vol=5.260000e+07
    or (resid   41 and name HD11) (resid   41 and name  HB2)
    or (resid   41 and name HD13) (resid   41 and name  HB2)
assign (resid 104 and name HG22) (resid 57 and name HD12) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2380, id=3976, vol=5.260000e+07
    or (resid  104 and name HG22) (resid   57 and name HD11)
    or (resid  104 and name HG22) (resid   57 and name HD13)
    or (resid  104 and name HG21) (resid   57 and name HD12)
    or (resid  104 and name HG21) (resid   57 and name HD11)
    or (resid  104 and name HG21) (resid   57 and name HD13)
    or (resid  104 and name HG23) (resid   57 and name HD12)
    or (resid  104 and name HG23) (resid   57 and name HD11)
    or (resid  104 and name HG23) (resid   57 and name HD13)
assign (resid 85 and name HB1) (resid 85 and name HB2) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2381, id=3977, vol=5.270000e+07
assign (resid 127 and name HB2) (resid 127 and name HD1) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2382, id=3978, vol=5.270000e+07
    or (resid  127 and name  HB2) (resid  127 and name  HD2)
assign (resid 14 and name HG1) (resid 14 and name HD2) 2.432 2.432 1.239 weight 1.000 ! spec=HCH, no=2383, id=3979, vol=5.280000e+07
    or (resid   14 and name  HG1) (resid   14 and name  HD1)
assign (resid 37 and name HB1) (resid 37 and name HB2) 2.431 2.431 1.239 weight 1.000 ! spec=HCH, no=2384, id=3980, vol=5.290000e+07
assign (resid 29 and name HB2) (resid 29 and name HG1) 2.431 2.431 1.238 weight 1.000 ! spec=HCH, no=2385, id=3981, vol=5.300000e+07
    or (resid   29 and name  HB1) (resid   29 and name  HG1)
assign (resid 20 and name HG12) (resid 64 and name HE1) 2.429 2.429 1.237 weight 1.000 ! spec=HCH, no=2387, id=3983, vol=5.320000e+07
    or (resid   20 and name HG12) (resid   64 and name  HE2)
    or (resid   20 and name HG11) (resid   64 and name  HE1)
    or (resid   20 and name HG11) (resid   64 and name  HE2)
    or (resid   20 and name HG13) (resid   64 and name  HE1)
    or (resid   20 and name HG13) (resid   64 and name  HE2)
assign (resid 14 and name HG2) (resid 14 and name HD2) 2.429 2.429 1.237 weight 1.000 ! spec=HCH, no=2388, id=3984, vol=5.320000e+07
    or (resid   14 and name  HG2) (resid   14 and name  HD1)
assign (resid 107 and name HA) (resid 54 and name HD22) 2.428 2.428 1.237 weight 1.000 ! spec=HCH, no=2389, id=3985, vol=5.320000e+07
    or (resid  107 and name   HA) (resid   54 and name HD21)
    or (resid  107 and name   HA) (resid   54 and name HD23)
assign (resid 79 and name HB2) (resid 43 and name HD12) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2394, id=3990, vol=5.350000e+07
    or (resid   79 and name  HB2) (resid   43 and name HD11)
    or (resid   79 and name  HB2) (resid   43 and name HD13)
assign (resid 43 and name HD12) (resid 43 and name HA) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2395, id=3991, vol=5.350000e+07
    or (resid   43 and name HD11) (resid   43 and name   HA)
    or (resid   43 and name HD13) (resid   43 and name   HA)
assign (resid 14 and name HB2) (resid 14 and name HA) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2396, id=3992, vol=5.360000e+07
    or (resid   14 and name  HB1) (resid   14 and name   HA)
assign (resid 109 and name HG12) (resid 104 and name HG12) 2.426 2.426 1.235 weight 1.000 ! spec=HCH, no=2397, id=3993, vol=5.360000e+07
    or (resid  109 and name HG11) (resid  104 and name HG12)
    or (resid  109 and name HG13) (resid  104 and name HG12)
assign (resid 8 and name HG2) (resid 8 and name HA) 2.425 2.425 1.235 weight 1.000 ! spec=HCH, no=2398, id=3994, vol=5.360000e+07
    or (resid    8 and name  HG1) (resid    8 and name   HA)
assign (resid 40 and name HB) (resid 80 and name HD12) 2.425 2.425 1.235 weight 1.000 ! spec=HCH, no=2399, id=3995, vol=5.370000e+07
    or (resid   40 and name   HB) (resid   80 and name HD11)
    or (resid   40 and name   HB) (resid   80 and name HD13)
assign (resid 96 and name HB) (resid 96 and name HA) 2.424 2.424 1.234 weight 1.000 ! spec=HCH, no=2403, id=3999, vol=5.390000e+07
assign (resid 108 and name HE2) (resid 107 and name HB2) 2.423 2.423 1.234 weight 1.000 ! spec=HCH, no=2406, id=4002, vol=5.400000e+07
    or (resid  108 and name  HE1) (resid  107 and name  HB2)
assign (resid 14 and name HB2) (resid 14 and name HD2) 2.422 2.422 1.233 weight 1.000 ! spec=HCH, no=2407, id=4003, vol=5.410000e+07
    or (resid   14 and name  HB2) (resid   14 and name  HD1)
    or (resid   14 and name  HB1) (resid   14 and name  HD2)
    or (resid   14 and name  HB1) (resid   14 and name  HD1)
assign (resid 107 and name HB2) (resid 107 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HCH, no=2409, id=4005, vol=5.430000e+07
assign (resid 110 and name HB) (resid 110 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HCH, no=2410, id=4006, vol=5.430000e+07
assign (resid 54 and name HB1) (resid 54 and name HD12) 2.419 2.419 1.231 weight 1.000 ! spec=HCH, no=2412, id=4008, vol=5.450000e+07
    or (resid   54 and name  HB1) (resid   54 and name HD11)
    or (resid   54 and name  HB1) (resid   54 and name HD13)
assign (resid 16 and name HB1) (resid 16 and name HB2) 2.418 2.418 1.231 weight 1.000 ! spec=HCH, no=2413, id=4009, vol=5.470000e+07
assign (resid 43 and name HA) (resid 43 and name HB1) 2.417 2.417 1.23 weight 1.000 ! spec=HCH, no=2415, id=4011, vol=5.480000e+07
assign (resid 90 and name HA) (resid 90 and name HG) 2.416 2.416 1.23 weight 1.000 ! spec=HCH, no=2417, id=4013, vol=5.490000e+07
assign (resid 57 and name HA) (resid 57 and name HG22) 2.416 2.416 1.229 weight 1.000 ! spec=HCH, no=2418, id=4014, vol=5.490000e+07
    or (resid   57 and name   HA) (resid   57 and name HG21)
    or (resid   57 and name   HA) (resid   57 and name HG23)
assign (resid 74 and name HB2) (resid 74 and name HA) 2.415 2.415 1.229 weight 1.000 ! spec=HCH, no=2419, id=4015, vol=5.510000e+07
assign (resid 21 and name HB2) (resid 21 and name HB1) 2.414 2.414 1.229 weight 1.000 ! spec=HCH, no=2421, id=4017, vol=5.510000e+07
assign (resid 135 and name HG22) (resid 135 and name HB) 2.414 2.414 1.228 weight 1.000 ! spec=HCH, no=2424, id=4020, vol=5.520000e+07
    or (resid  135 and name HG21) (resid  135 and name   HB)
    or (resid  135 and name HG23) (resid  135 and name   HB)
assign (resid 9 and name HN) (resid 9 and name HA) 2.413 2.413 1.228 weight 1.000 ! spec=HCH, no=2426, id=4022, vol=5.530000e+07
assign (resid 109 and name HG12) (resid 102 and name HB2) 2.412 2.412 1.227 weight 1.000 ! spec=HCH, no=2428, id=4024, vol=5.550000e+07
    or (resid  109 and name HG12) (resid  102 and name  HB1)
    or (resid  109 and name HG12) (resid  102 and name  HB3)
    or (resid  109 and name HG11) (resid  102 and name  HB2)
    or (resid  109 and name HG11) (resid  102 and name  HB1)
    or (resid  109 and name HG11) (resid  102 and name  HB3)
    or (resid  109 and name HG13) (resid  102 and name  HB2)
    or (resid  109 and name HG13) (resid  102 and name  HB1)
    or (resid  109 and name HG13) (resid  102 and name  HB3)
assign (resid 85 and name HD12) (resid 79 and name HZ2) 2.411 2.411 1.227 weight 1.000 ! spec=HCH, no=2429, id=4025, vol=5.550000e+07
    or (resid   85 and name HD11) (resid   79 and name  HZ2)
    or (resid   85 and name HD13) (resid   79 and name  HZ2)
assign (resid 66 and name HG22) (resid 121 and name HD12) 2.411 2.411 1.227 weight 1.000 ! spec=HCH, no=2430, id=4026, vol=5.560000e+07
    or (resid   66 and name HG22) (resid  121 and name HD11)
    or (resid   66 and name HG22) (resid  121 and name HD13)
    or (resid   66 and name HG21) (resid  121 and name HD12)
    or (resid   66 and name HG21) (resid  121 and name HD11)
    or (resid   66 and name HG21) (resid  121 and name HD13)
    or (resid   66 and name HG23) (resid  121 and name HD12)
    or (resid   66 and name HG23) (resid  121 and name HD11)
    or (resid   66 and name HG23) (resid  121 and name HD13)
assign (resid 42 and name HE2) (resid 53 and name HD22) 2.409 2.409 1.225 weight 1.000 ! spec=HCH, no=2433, id=4029, vol=5.590000e+07
    or (resid   42 and name  HE2) (resid   53 and name HD21)
    or (resid   42 and name  HE2) (resid   53 and name HD23)
    or (resid   42 and name  HE1) (resid   53 and name HD22)
    or (resid   42 and name  HE1) (resid   53 and name HD21)
    or (resid   42 and name  HE1) (resid   53 and name HD23)
    or (resid   42 and name  HE3) (resid   53 and name HD22)
    or (resid   42 and name  HE3) (resid   53 and name HD21)
    or (resid   42 and name  HE3) (resid   53 and name HD23)
assign (resid 81 and name HB2) (resid 81 and name HB1) 2.408 2.408 1.225 weight 1.000 ! spec=HCH, no=2435, id=4031, vol=5.600000e+07
assign (resid 120 and name HB1) (resid 41 and name HD12) 2.407 2.407 1.224 weight 1.000 ! spec=HCH, no=2436, id=4032, vol=5.610000e+07
    or (resid  120 and name  HB1) (resid   41 and name HD11)
    or (resid  120 and name  HB1) (resid   41 and name HD13)
assign (resid 81 and name HB1) (resid 81 and name HA) 2.407 2.407 1.224 weight 1.000 ! spec=HCH, no=2438, id=4034, vol=5.620000e+07
assign (resid 31 and name HD22) (resid 31 and name HA) 2.405 2.405 1.223 weight 1.000 ! spec=HCH, no=2440, id=4036, vol=5.640000e+07
    or (resid   31 and name HD21) (resid   31 and name   HA)
    or (resid   31 and name HD23) (resid   31 and name   HA)
assign (resid 5 and name HB2) (resid 5 and name HA) 2.404 2.404 1.222 weight 1.000 ! spec=HCH, no=2442, id=4038, vol=5.660000e+07
assign (resid 85 and name HB2) (resid 85 and name HD12) 2.402 2.402 1.221 weight 1.000 ! spec=HCH, no=2445, id=4041, vol=5.690000e+07
    or (resid   85 and name  HB2) (resid   85 and name HD11)
    or (resid   85 and name  HB2) (resid   85 and name HD13)
assign (resid 37 and name HD1) (resid 37 and name HE2) 2.400 2.400 1.22 weight 1.000 ! spec=HCH, no=2449, id=4045, vol=5.710000e+07
    or (resid   37 and name  HD1) (resid   37 and name  HE1)
assign (resid 121 and name HA) (resid 121 and name HG22) 2.400 2.400 1.22 weight 1.000 ! spec=HCH, no=2451, id=4047, vol=5.720000e+07
    or (resid  121 and name   HA) (resid  121 and name HG21)
    or (resid  121 and name   HA) (resid  121 and name HG23)
assign (resid 80 and name HN) (resid 80 and name HG22) 2.398 2.398 1.219 weight 1.000 ! spec=HCH, no=2453, id=4049, vol=5.740000e+07
    or (resid   80 and name   HN) (resid   80 and name HG21)
    or (resid   80 and name   HN) (resid   80 and name HG23)
assign (resid 110 and name HN) (resid 110 and name HG21) 2.398 2.398 1.219 weight 1.000 ! spec=HCH, no=2454, id=4050, vol=5.740000e+07
    or (resid  110 and name   HN) (resid  110 and name HG22)
    or (resid  110 and name   HN) (resid  110 and name HG23)
assign (resid 92 and name HA) (resid 92 and name HG22) 2.397 2.397 1.218 weight 1.000 ! spec=HCH, no=2456, id=4052, vol=5.760000e+07
    or (resid   92 and name   HA) (resid   92 and name HG21)
    or (resid   92 and name   HA) (resid   92 and name HG23)
assign (resid 41 and name HD12) (resid 31 and name HA) 2.395 2.395 1.217 weight 1.000 ! spec=HCH, no=2459, id=4055, vol=5.780000e+07
    or (resid   41 and name HD11) (resid   31 and name   HA)
    or (resid   41 and name HD13) (resid   31 and name   HA)
assign (resid 26 and name HB) (resid 26 and name HG21) 2.392 2.392 1.215 weight 1.000 ! spec=HCH, no=2462, id=4058, vol=5.830000e+07
    or (resid   26 and name   HB) (resid   26 and name HG22)
    or (resid   26 and name   HB) (resid   26 and name HG23)
assign (resid 22 and name HG1) (resid 22 and name HB1) 2.392 2.392 1.215 weight 1.000 ! spec=HCH, no=2463, id=4059, vol=5.830000e+07
assign (resid 3 and name HA) (resid 3 and name HB2) 2.388 2.388 1.213 weight 1.000 ! spec=HCH, no=2469, id=4065, vol=5.890000e+07
    or (resid    3 and name   HA) (resid    3 and name  HB1)
assign (resid 92 and name HG11) (resid 92 and name HD12) 2.387 2.387 1.212 weight 1.000 ! spec=HCH, no=2471, id=4067, vol=5.910000e+07
    or (resid   92 and name HG11) (resid   92 and name HD11)
    or (resid   92 and name HG11) (resid   92 and name HD13)
assign (resid 104 and name HG11) (resid 104 and name HG22) 2.385 2.385 1.211 weight 1.000 ! spec=HCH, no=2473, id=4069, vol=5.930000e+07
    or (resid  104 and name HG11) (resid  104 and name HG21)
    or (resid  104 and name HG11) (resid  104 and name HG23)
assign (resid 73 and name HG2) (resid 73 and name HB2) 2.384 2.384 1.21 weight 1.000 ! spec=HCH, no=2476, id=4072, vol=5.950000e+07
    or (resid   73 and name  HG2) (resid   73 and name  HB1)
assign (resid 68 and name HB1) (resid 68 and name HD12) 2.382 2.382 1.209 weight 1.000 ! spec=HCH, no=2478, id=4074, vol=5.970000e+07
    or (resid   68 and name  HB1) (resid   68 and name HD11)
    or (resid   68 and name  HB1) (resid   68 and name HD13)
assign (resid 126 and name HD12) (resid 4 and name HB1) 2.381 2.381 1.209 weight 1.000 ! spec=HCH, no=2480, id=4076, vol=5.990000e+07
    or (resid  126 and name HD11) (resid    4 and name  HB1)
    or (resid  126 and name HD13) (resid    4 and name  HB1)
assign (resid 123 and name HB1) (resid 123 and name HB2) 2.380 2.380 1.208 weight 1.000 ! spec=HCH, no=2483, id=4078, vol=6.000000e+07
assign (resid 80 and name HG22) (resid 31 and name HD22) 2.380 2.380 1.208 weight 1.000 ! spec=HCH, no=2484, id=4079, vol=6.010000e+07
    or (resid   80 and name HG22) (resid   31 and name HD21)
    or (resid   80 and name HG22) (resid   31 and name HD23)
    or (resid   80 and name HG21) (resid   31 and name HD22)
    or (resid   80 and name HG21) (resid   31 and name HD21)
    or (resid   80 and name HG21) (resid   31 and name HD23)
    or (resid   80 and name HG23) (resid   31 and name HD22)
    or (resid   80 and name HG23) (resid   31 and name HD21)
    or (resid   80 and name HG23) (resid   31 and name HD23)
assign (resid 90 and name HD22) (resid 89 and name HB) 2.379 2.379 1.208 weight 1.000 ! spec=HCH, no=2486, id=4081, vol=6.020000e+07
    or (resid   90 and name HD21) (resid   89 and name   HB)
    or (resid   90 and name HD23) (resid   89 and name   HB)
    or (resid   90 and name HD12) (resid   89 and name   HB)
    or (resid   90 and name HD11) (resid   89 and name   HB)
    or (resid   90 and name HD13) (resid   89 and name   HB)
assign (resid 75 and name HG1) (resid 75 and name HB1) 2.379 2.379 1.207 weight 1.000 ! spec=HCH, no=2487, id=4082, vol=6.030000e+07
assign (resid 11 and name HD22) (resid 56 and name HB2) 2.378 2.378 1.207 weight 1.000 ! spec=HCH, no=2489, id=4084, vol=6.030000e+07
    or (resid   11 and name HD22) (resid   56 and name  HB1)
    or (resid   11 and name HD21) (resid   56 and name  HB2)
    or (resid   11 and name HD21) (resid   56 and name  HB1)
    or (resid   11 and name HD23) (resid   56 and name  HB2)
    or (resid   11 and name HD23) (resid   56 and name  HB1)
assign (resid 26 and name HB) (resid 26 and name HA) 2.378 2.378 1.207 weight 1.000 ! spec=HCH, no=2491, id=4086, vol=6.040000e+07
assign (resid 29 and name HB2) (resid 29 and name HA) 2.377 2.377 1.207 weight 1.000 ! spec=HCH, no=2492, id=4087, vol=6.050000e+07
    or (resid   29 and name  HB1) (resid   29 and name   HA)
assign (resid 107 and name HB1) (resid 107 and name HA) 2.377 2.377 1.207 weight 1.000 ! spec=HCH, no=2493, id=4088, vol=6.050000e+07
assign (resid 25 and name HB2) (resid 25 and name HB1) 2.375 2.375 1.205 weight 1.000 ! spec=HCH, no=2496, id=4091, vol=6.090000e+07
assign (resid 92 and name HG12) (resid 92 and name HD12) 2.374 2.374 1.205 weight 1.000 ! spec=HCH, no=2498, id=4093, vol=6.090000e+07
    or (resid   92 and name HG12) (resid   92 and name HD11)
    or (resid   92 and name HG12) (resid   92 and name HD13)
assign (resid 41 and name HB2) (resid 80 and name HD12) 2.374 2.374 1.204 weight 1.000 ! spec=HCH, no=2499, id=4094, vol=6.100000e+07
    or (resid   41 and name  HB2) (resid   80 and name HD11)
    or (resid   41 and name  HB2) (resid   80 and name HD13)
assign (resid 55 and name HB2) (resid 55 and name HA) 2.374 2.374 1.204 weight 1.000 ! spec=HCH, no=2500, id=4095, vol=6.110000e+07
assign (resid 7 and name HD2) (resid 6 and name HA) 2.372 2.372 1.203 weight 1.000 ! spec=HCH, no=2501, id=4096, vol=6.130000e+07
assign (resid 102 and name HA) (resid 102 and name HB2) 2.370 2.370 1.202 weight 1.000 ! spec=HCH, no=2502, id=4097, vol=6.160000e+07
    or (resid  102 and name   HA) (resid  102 and name  HB1)
    or (resid  102 and name   HA) (resid  102 and name  HB3)
assign (resid 35 and name HB2) (resid 32 and name HA) 2.366 2.366 1.199 weight 1.000 ! spec=HCH, no=2503, id=4098, vol=6.230000e+07
assign (resid 121 and name HG11) (resid 20 and name HA) 2.365 2.365 1.199 weight 1.000 ! spec=HCH, no=2504, id=4099, vol=6.240000e+07
assign (resid 20 and name HA) (resid 20 and name HG22) 2.364 2.364 1.198 weight 1.000 ! spec=HCH, no=2507, id=4102, vol=6.260000e+07
    or (resid   20 and name   HA) (resid   20 and name HG21)
    or (resid   20 and name   HA) (resid   20 and name HG23)
assign (resid 22 and name HB2) (resid 22 and name HA) 2.363 2.363 1.198 weight 1.000 ! spec=HCH, no=2509, id=4104, vol=6.270000e+07
assign (resid 8 and name HB1) (resid 8 and name HA) 2.361 2.361 1.197 weight 1.000 ! spec=HCH, no=2510, id=4105, vol=6.300000e+07
assign (resid 44 and name HG22) (resid 44 and name HG12) 2.360 2.360 1.196 weight 1.000 ! spec=HCH, no=2513, id=4108, vol=6.320000e+07
    or (resid   44 and name HG21) (resid   44 and name HG12)
    or (resid   44 and name HG23) (resid   44 and name HG12)
assign (resid 54 and name HD22) (resid 53 and name HB2) 2.359 2.359 1.195 weight 1.000 ! spec=HCH, no=2514, id=4109, vol=6.340000e+07
    or (resid   54 and name HD21) (resid   53 and name  HB2)
    or (resid   54 and name HD23) (resid   53 and name  HB2)
assign (resid 108 and name HB2) (resid 108 and name HA) 2.358 2.358 1.195 weight 1.000 ! spec=HCH, no=2515, id=4110, vol=6.360000e+07
    or (resid  108 and name  HB1) (resid  108 and name   HA)
assign (resid 80 and name HG11) (resid 80 and name HG22) 2.356 2.356 1.194 weight 1.000 ! spec=HCH, no=2520, id=4115, vol=6.380000e+07
    or (resid   80 and name HG11) (resid   80 and name HG21)
    or (resid   80 and name HG11) (resid   80 and name HG23)
assign (resid 128 and name HB1) (resid 128 and name HA) 2.356 2.356 1.194 weight 1.000 ! spec=HCH, no=2521, id=4116, vol=6.380000e+07
assign (resid 75 and name HG2) (resid 75 and name HB1) 2.354 2.354 1.193 weight 1.000 ! spec=HCH, no=2522, id=4117, vol=6.410000e+07
assign (resid 68 and name HG) (resid 68 and name HD22) 2.354 2.354 1.193 weight 1.000 ! spec=HCH, no=2523, id=4118, vol=6.420000e+07
    or (resid   68 and name   HG) (resid   68 and name HD21)
    or (resid   68 and name   HG) (resid   68 and name HD23)
assign (resid 33 and name HB2) (resid 33 and name HB1) 2.352 2.352 1.192 weight 1.000 ! spec=HCH, no=2524, id=4119, vol=6.440000e+07
assign (resid 114 and name HB1) (resid 114 and name HB2) 2.352 2.352 1.191 weight 1.000 ! spec=HCH, no=2526, id=4121, vol=6.450000e+07
assign (resid 30 and name HA2) (resid 30 and name HA1) 2.351 2.351 1.191 weight 1.000 ! spec=HCH, no=2527, id=4122, vol=6.470000e+07
assign (resid 53 and name HD12) (resid 50 and name HD22) 2.348 2.348 1.189 weight 1.000 ! spec=HCH, no=2530, id=4125, vol=6.510000e+07
    or (resid   53 and name HD12) (resid   50 and name HD21)
    or (resid   53 and name HD12) (resid   50 and name HD23)
    or (resid   53 and name HD11) (resid   50 and name HD22)
    or (resid   53 and name HD11) (resid   50 and name HD21)
    or (resid   53 and name HD11) (resid   50 and name HD23)
    or (resid   53 and name HD13) (resid   50 and name HD22)
    or (resid   53 and name HD13) (resid   50 and name HD21)
    or (resid   53 and name HD13) (resid   50 and name HD23)
assign (resid 105 and name HB1) (resid 110 and name HG21) 2.348 2.348 1.189 weight 1.000 ! spec=HCH, no=2531, id=4126, vol=6.510000e+07
    or (resid  105 and name  HB1) (resid  110 and name HG22)
    or (resid  105 and name  HB1) (resid  110 and name HG23)
assign (resid 17 and name HB2) (resid 17 and name HB1) 2.345 2.345 1.187 weight 1.000 ! spec=HCH, no=2536, id=4131, vol=6.560000e+07
assign (resid 104 and name HG22) (resid 104 and name HA) 2.345 2.345 1.187 weight 1.000 ! spec=HCH, no=2538, id=4133, vol=6.570000e+07
    or (resid  104 and name HG21) (resid  104 and name   HA)
    or (resid  104 and name HG23) (resid  104 and name   HA)
assign (resid 37 and name HG2) (resid 37 and name HG1) 2.343 2.343 1.186 weight 1.000 ! spec=HCH, no=2539, id=4134, vol=6.590000e+07
assign (resid 53 and name HD12) (resid 53 and name HG) 2.343 2.343 1.186 weight 1.000 ! spec=HCH, no=2540, id=4135, vol=6.600000e+07
    or (resid   53 and name HD11) (resid   53 and name   HG)
    or (resid   53 and name HD13) (resid   53 and name   HG)
assign (resid 90 and name HG) (resid 89 and name HG22) 2.342 2.342 1.186 weight 1.000 ! spec=HCH, no=2542, id=4137, vol=6.620000e+07
    or (resid   90 and name   HG) (resid   89 and name HG21)
    or (resid   90 and name   HG) (resid   89 and name HG23)
assign (resid 41 and name HB1) (resid 41 and name HD22) 2.341 2.341 1.185 weight 1.000 ! spec=HCH, no=2544, id=4139, vol=6.640000e+07
    or (resid   41 and name  HB1) (resid   41 and name HD21)
    or (resid   41 and name  HB1) (resid   41 and name HD23)
assign (resid 52 and name HB2) (resid 52 and name HB1) 2.340 2.340 1.185 weight 1.000 ! spec=HCH, no=2545, id=4140, vol=6.640000e+07
assign (resid 40 and name HG21) (resid 43 and name HD22) 2.339 2.339 1.184 weight 1.000 ! spec=HCH, no=2546, id=4141, vol=6.660000e+07
    or (resid   40 and name HG21) (resid   43 and name HD21)
    or (resid   40 and name HG21) (resid   43 and name HD23)
    or (resid   40 and name HG22) (resid   43 and name HD22)
    or (resid   40 and name HG22) (resid   43 and name HD21)
    or (resid   40 and name HG22) (resid   43 and name HD23)
    or (resid   40 and name HG23) (resid   43 and name HD22)
    or (resid   40 and name HG23) (resid   43 and name HD21)
    or (resid   40 and name HG23) (resid   43 and name HD23)
assign (resid 53 and name HB1) (resid 53 and name HD12) 2.337 2.337 1.183 weight 1.000 ! spec=HCH, no=2550, id=4145, vol=6.700000e+07
    or (resid   53 and name  HB1) (resid   53 and name HD11)
    or (resid   53 and name  HB1) (resid   53 and name HD13)
assign (resid 84 and name HG21) (resid 84 and name HA) 2.337 2.337 1.183 weight 1.000 ! spec=HCH, no=2552, id=4147, vol=6.700000e+07
    or (resid   84 and name HG22) (resid   84 and name   HA)
    or (resid   84 and name HG23) (resid   84 and name   HA)
assign (resid 89 and name HB) (resid 50 and name HD12) 2.335 2.335 1.181 weight 1.000 ! spec=HCH, no=2555, id=4150, vol=6.740000e+07
    or (resid   89 and name   HB) (resid   50 and name HD11)
    or (resid   89 and name   HB) (resid   50 and name HD13)
assign (resid 72 and name HB1) (resid 72 and name HD12) 2.334 2.334 1.181 weight 1.000 ! spec=HCH, no=2557, id=4152, vol=6.750000e+07
    or (resid   72 and name  HB1) (resid   72 and name HD11)
    or (resid   72 and name  HB1) (resid   72 and name HD13)
assign (resid 72 and name HA) (resid 73 and name HA) 2.333 2.333 1.18 weight 1.000 ! spec=HCH, no=2560, id=4155, vol=6.770000e+07
assign (resid 121 and name HG12) (resid 121 and name HD12) 2.331 2.331 1.179 weight 1.000 ! spec=HCH, no=2564, id=4159, vol=6.800000e+07
    or (resid  121 and name HG12) (resid  121 and name HD11)
    or (resid  121 and name HG12) (resid  121 and name HD13)
assign (resid 96 and name HB) (resid 96 and name HG21) 2.331 2.331 1.179 weight 1.000 ! spec=HCH, no=2565, id=4160, vol=6.810000e+07
    or (resid   96 and name   HB) (resid   96 and name HG22)
    or (resid   96 and name   HB) (resid   96 and name HG23)
assign (resid 109 and name HG22) (resid 109 and name HA) 2.330 2.330 1.178 weight 1.000 ! spec=HCH, no=2566, id=4161, vol=6.830000e+07
    or (resid  109 and name HG21) (resid  109 and name   HA)
    or (resid  109 and name HG23) (resid  109 and name   HA)
assign (resid 85 and name HA) (resid 85 and name HD12) 2.329 2.329 1.178 weight 1.000 ! spec=HCH, no=2567, id=4162, vol=6.830000e+07
    or (resid   85 and name   HA) (resid   85 and name HD11)
    or (resid   85 and name   HA) (resid   85 and name HD13)
assign (resid 23 and name HB) (resid 23 and name HA) 2.329 2.329 1.178 weight 1.000 ! spec=HCH, no=2568, id=4163, vol=6.840000e+07
assign (resid 93 and name HA) (resid 93 and name HG21) 2.328 2.328 1.178 weight 1.000 ! spec=HCH, no=2569, id=4164, vol=6.850000e+07
    or (resid   93 and name   HA) (resid   93 and name HG22)
    or (resid   93 and name   HA) (resid   93 and name HG23)
assign (resid 91 and name HA) (resid 91 and name HB2) 2.325 2.325 1.176 weight 1.000 ! spec=HCH, no=2573, id=4168, vol=6.910000e+07
    or (resid   91 and name   HA) (resid   91 and name  HB1)
assign (resid 80 and name HG12) (resid 80 and name HD12) 2.325 2.325 1.176 weight 1.000 ! spec=HCH, no=2574, id=4169, vol=6.910000e+07
    or (resid   80 and name HG12) (resid   80 and name HD11)
    or (resid   80 and name HG12) (resid   80 and name HD13)
assign (resid 44 and name HB) (resid 44 and name HD12) 2.323 2.323 1.175 weight 1.000 ! spec=HCH, no=2576, id=4171, vol=6.940000e+07
    or (resid   44 and name   HB) (resid   44 and name HD11)
    or (resid   44 and name   HB) (resid   44 and name HD13)
assign (resid 121 and name HB) (resid 121 and name HD12) 2.323 2.323 1.174 weight 1.000 ! spec=HCH, no=2577, id=4172, vol=6.950000e+07
    or (resid  121 and name   HB) (resid  121 and name HD11)
    or (resid  121 and name   HB) (resid  121 and name HD13)
assign (resid 4 and name HD12) (resid 127 and name HD1) 2.315 2.315 1.17 weight 1.000 ! spec=HCH, no=2584, id=4179, vol=7.090000e+07
    or (resid    4 and name HD12) (resid  127 and name  HD2)
    or (resid    4 and name HD11) (resid  127 and name  HD1)
    or (resid    4 and name HD11) (resid  127 and name  HD2)
    or (resid    4 and name HD13) (resid  127 and name  HD1)
    or (resid    4 and name HD13) (resid  127 and name  HD2)
assign (resid 53 and name HB1) (resid 53 and name HD22) 2.313 2.313 1.169 weight 1.000 ! spec=HCH, no=2585, id=4180, vol=7.120000e+07
    or (resid   53 and name  HB1) (resid   53 and name HD21)
    or (resid   53 and name  HB1) (resid   53 and name HD23)
assign (resid 71 and name HB) (resid 71 and name HG21) 2.312 2.312 1.168 weight 1.000 ! spec=HCH, no=2589, id=4184, vol=7.160000e+07
    or (resid   71 and name   HB) (resid   71 and name HG22)
    or (resid   71 and name   HB) (resid   71 and name HG23)
assign (resid 80 and name HB) (resid 80 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HCH, no=2590, id=4185, vol=7.160000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HCH, no=2591, id=4186, vol=7.160000e+07
    or (resid   51 and name  HB1) (resid   51 and name   HA)
assign (resid 85 and name HD22) (resid 92 and name HD12) 2.310 2.310 1.167 weight 1.000 ! spec=HCH, no=2593, id=4188, vol=7.180000e+07
    or (resid   85 and name HD22) (resid   92 and name HD11)
    or (resid   85 and name HD22) (resid   92 and name HD13)
    or (resid   85 and name HD21) (resid   92 and name HD12)
    or (resid   85 and name HD21) (resid   92 and name HD11)
    or (resid   85 and name HD21) (resid   92 and name HD13)
    or (resid   85 and name HD23) (resid   92 and name HD12)
    or (resid   85 and name HD23) (resid   92 and name HD11)
    or (resid   85 and name HD23) (resid   92 and name HD13)
assign (resid 20 and name HG12) (resid 20 and name HA) 2.306 2.306 1.165 weight 1.000 ! spec=HCH, no=2597, id=4192, vol=7.260000e+07
    or (resid   20 and name HG11) (resid   20 and name   HA)
    or (resid   20 and name HG13) (resid   20 and name   HA)
assign (resid 66 and name HB) (resid 66 and name HG22) 2.303 2.303 1.163 weight 1.000 ! spec=HCH, no=2598, id=4193, vol=7.320000e+07
    or (resid   66 and name   HB) (resid   66 and name HG21)
    or (resid   66 and name   HB) (resid   66 and name HG23)
assign (resid 61 and name HB2) (resid 61 and name HA) 2.303 2.303 1.163 weight 1.000 ! spec=HCH, no=2599, id=4194, vol=7.320000e+07
assign (resid 104 and name HN) (resid 103 and name HB2) 2.302 2.302 1.163 weight 1.000 ! spec=HCH, no=2600, id=4195, vol=7.330000e+07
    or (resid  104 and name   HN) (resid  103 and name  HB1)
    or (resid  104 and name   HN) (resid  103 and name  HB3)
assign (resid 122 and name HB1) (resid 122 and name HB2) 2.302 2.302 1.163 weight 1.000 ! spec=HCH, no=2601, id=4196, vol=7.330000e+07
assign (resid 124 and name HE2) (resid 39 and name HB2) 2.302 2.302 1.162 weight 1.000 ! spec=HCH, no=2602, id=4197, vol=7.350000e+07
    or (resid  124 and name  HE2) (resid   39 and name  HB1)
    or (resid  124 and name  HE2) (resid   39 and name  HB3)
    or (resid  124 and name  HE1) (resid   39 and name  HB2)
    or (resid  124 and name  HE1) (resid   39 and name  HB1)
    or (resid  124 and name  HE1) (resid   39 and name  HB3)
assign (resid 66 and name HA) (resid 66 and name HG22) 2.301 2.301 1.162 weight 1.000 ! spec=HCH, no=2603, id=4198, vol=7.350000e+07
    or (resid   66 and name   HA) (resid   66 and name HG21)
    or (resid   66 and name   HA) (resid   66 and name HG23)
assign (resid 34 and name HB2) (resid 34 and name HB1) 2.299 2.299 1.161 weight 1.000 ! spec=HCH, no=2606, id=4201, vol=7.400000e+07
assign (resid 53 and name HD12) (resid 121 and name HG22) 2.298 2.298 1.16 weight 1.000 ! spec=HCH, no=2607, id=4202, vol=7.420000e+07
    or (resid   53 and name HD12) (resid  121 and name HG21)
    or (resid   53 and name HD12) (resid  121 and name HG23)
    or (resid   53 and name HD11) (resid  121 and name HG22)
    or (resid   53 and name HD11) (resid  121 and name HG21)
    or (resid   53 and name HD11) (resid  121 and name HG23)
    or (resid   53 and name HD13) (resid  121 and name HG22)
    or (resid   53 and name HD13) (resid  121 and name HG21)
    or (resid   53 and name HD13) (resid  121 and name HG23)
assign (resid 100 and name HB1) (resid 100 and name HB2) 2.296 2.296 1.159 weight 1.000 ! spec=HCH, no=2610, id=4205, vol=7.450000e+07
assign (resid 55 and name HB1) (resid 55 and name HA) 2.294 2.294 1.158 weight 1.000 ! spec=HCH, no=2612, id=4207, vol=7.480000e+07
assign (resid 41 and name HG) (resid 41 and name HD22) 2.293 2.293 1.157 weight 1.000 ! spec=HCH, no=2614, id=4209, vol=7.520000e+07
    or (resid   41 and name   HG) (resid   41 and name HD21)
    or (resid   41 and name   HG) (resid   41 and name HD23)
assign (resid 115 and name HA) (resid 26 and name HG21) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2616, id=4211, vol=7.520000e+07
    or (resid  115 and name   HA) (resid   26 and name HG22)
    or (resid  115 and name   HA) (resid   26 and name HG23)
assign (resid 80 and name HD12) (resid 31 and name HD22) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2617, id=4212, vol=7.530000e+07
    or (resid   80 and name HD12) (resid   31 and name HD21)
    or (resid   80 and name HD12) (resid   31 and name HD23)
    or (resid   80 and name HD11) (resid   31 and name HD22)
    or (resid   80 and name HD11) (resid   31 and name HD21)
    or (resid   80 and name HD11) (resid   31 and name HD23)
    or (resid   80 and name HD13) (resid   31 and name HD22)
    or (resid   80 and name HD13) (resid   31 and name HD21)
    or (resid   80 and name HD13) (resid   31 and name HD23)
assign (resid 8 and name HA) (resid 8 and name HB2) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2618, id=4213, vol=7.530000e+07
assign (resid 53 and name HB2) (resid 53 and name HD12) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2619, id=4214, vol=7.530000e+07
    or (resid   53 and name  HB2) (resid   53 and name HD11)
    or (resid   53 and name  HB2) (resid   53 and name HD13)
assign (resid 102 and name HB2) (resid 68 and name HD12) 2.291 2.291 1.156 weight 1.000 ! spec=HCH, no=2621, id=4216, vol=7.540000e+07
    or (resid  102 and name  HB2) (resid   68 and name HD11)
    or (resid  102 and name  HB2) (resid   68 and name HD13)
    or (resid  102 and name  HB1) (resid   68 and name HD12)
    or (resid  102 and name  HB1) (resid   68 and name HD11)
    or (resid  102 and name  HB1) (resid   68 and name HD13)
    or (resid  102 and name  HB3) (resid   68 and name HD12)
    or (resid  102 and name  HB3) (resid   68 and name HD11)
    or (resid  102 and name  HB3) (resid   68 and name HD13)
assign (resid 73 and name HB2) (resid 73 and name HA) 2.291 2.291 1.156 weight 1.000 ! spec=HCH, no=2623, id=4218, vol=7.550000e+07
    or (resid   73 and name  HB1) (resid   73 and name   HA)
assign (resid 7 and name HB2) (resid 7 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HCH, no=2629, id=4224, vol=7.620000e+07
assign (resid 40 and name HA) (resid 40 and name HG21) 2.284 2.284 1.152 weight 1.000 ! spec=HCH, no=2634, id=4229, vol=7.690000e+07
    or (resid   40 and name   HA) (resid   40 and name HG22)
    or (resid   40 and name   HA) (resid   40 and name HG23)
assign (resid 85 and name HG) (resid 85 and name HD22) 2.283 2.283 1.152 weight 1.000 ! spec=HCH, no=2636, id=4231, vol=7.710000e+07
    or (resid   85 and name   HG) (resid   85 and name HD21)
    or (resid   85 and name   HG) (resid   85 and name HD23)
assign (resid 16 and name HG1) (resid 16 and name HG2) 2.282 2.282 1.151 weight 1.000 ! spec=HCH, no=2639, id=4234, vol=7.740000e+07
assign (resid 53 and name HA) (resid 53 and name HD22) 2.282 2.282 1.151 weight 1.000 ! spec=HCH, no=2640, id=4235, vol=7.740000e+07
    or (resid   53 and name   HA) (resid   53 and name HD21)
    or (resid   53 and name   HA) (resid   53 and name HD23)
assign (resid 131 and name HD22) (resid 130 and name HG21) 2.277 2.277 1.148 weight 1.000 ! spec=HCH, no=2645, id=4240, vol=7.840000e+07
    or (resid  131 and name HD22) (resid  130 and name HG22)
    or (resid  131 and name HD22) (resid  130 and name HG23)
    or (resid  131 and name HD21) (resid  130 and name HG21)
    or (resid  131 and name HD21) (resid  130 and name HG22)
    or (resid  131 and name HD21) (resid  130 and name HG23)
    or (resid  131 and name HD23) (resid  130 and name HG21)
    or (resid  131 and name HD23) (resid  130 and name HG22)
    or (resid  131 and name HD23) (resid  130 and name HG23)
assign (resid 2 and name HA) (resid 2 and name HB2) 2.274 2.274 1.147 weight 1.000 ! spec=HCH, no=2649, id=4244, vol=7.890000e+07
    or (resid    2 and name   HA) (resid    2 and name  HB1)
    or (resid    2 and name   HA) (resid    2 and name  HB3)
assign (resid 80 and name HA) (resid 80 and name HG22) 2.273 2.273 1.146 weight 1.000 ! spec=HCH, no=2650, id=4245, vol=7.920000e+07
    or (resid   80 and name   HA) (resid   80 and name HG21)
    or (resid   80 and name   HA) (resid   80 and name HG23)
assign (resid 71 and name HG21) (resid 69 and name HB2) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2651, id=4246, vol=7.930000e+07
    or (resid   71 and name HG22) (resid   69 and name  HB2)
    or (resid   71 and name HG23) (resid   69 and name  HB2)
assign (resid 66 and name HG22) (resid 104 and name HD12) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2652, id=4247, vol=7.930000e+07
    or (resid   66 and name HG22) (resid  104 and name HD11)
    or (resid   66 and name HG22) (resid  104 and name HD13)
    or (resid   66 and name HG21) (resid  104 and name HD12)
    or (resid   66 and name HG21) (resid  104 and name HD11)
    or (resid   66 and name HG21) (resid  104 and name HD13)
    or (resid   66 and name HG23) (resid  104 and name HD12)
    or (resid   66 and name HG23) (resid  104 and name HD11)
    or (resid   66 and name HG23) (resid  104 and name HD13)
assign (resid 42 and name HE2) (resid 44 and name HA) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2653, id=4248, vol=7.940000e+07
    or (resid   42 and name  HE1) (resid   44 and name   HA)
    or (resid   42 and name  HE3) (resid   44 and name   HA)
assign (resid 75 and name HG1) (resid 72 and name HD22) 2.271 2.271 1.145 weight 1.000 ! spec=HCH, no=2655, id=4250, vol=7.950000e+07
    or (resid   75 and name  HG1) (resid   72 and name HD21)
    or (resid   75 and name  HG1) (resid   72 and name HD23)
assign (resid 63 and name HB1) (resid 103 and name HB2) 2.269 2.269 1.144 weight 1.000 ! spec=HCH, no=2658, id=4253, vol=7.990000e+07
    or (resid   63 and name  HB1) (resid  103 and name  HB1)
    or (resid   63 and name  HB1) (resid  103 and name  HB3)
assign (resid 53 and name HB1) (resid 53 and name HB2) 2.269 2.269 1.144 weight 1.000 ! spec=HCH, no=2659, id=4254, vol=7.990000e+07
assign (resid 112 and name HB2) (resid 112 and name HB1) 2.268 2.268 1.143 weight 1.000 ! spec=HCH, no=2661, id=4256, vol=8.030000e+07
assign (resid 56 and name HB2) (resid 56 and name HA) 2.268 2.268 1.143 weight 1.000 ! spec=HCH, no=2662, id=4257, vol=8.030000e+07
    or (resid   56 and name  HB1) (resid   56 and name   HA)
assign (resid 4 and name HB1) (resid 4 and name HA) 2.263 2.263 1.14 weight 1.000 ! spec=HCH, no=2665, id=4260, vol=8.130000e+07
assign (resid 31 and name HD22) (resid 41 and name HB2) 2.263 2.263 1.14 weight 1.000 ! spec=HCH, no=2667, id=4262, vol=8.140000e+07
    or (resid   31 and name HD21) (resid   41 and name  HB2)
    or (resid   31 and name HD23) (resid   41 and name  HB2)
assign (resid 37 and name HD2) (resid 37 and name HE2) 2.261 2.261 1.139 weight 1.000 ! spec=HCH, no=2668, id=4263, vol=8.170000e+07
    or (resid   37 and name  HD2) (resid   37 and name  HE1)
assign (resid 80 and name HD12) (resid 43 and name HD12) 2.260 2.260 1.139 weight 1.000 ! spec=HCH, no=2669, id=4264, vol=8.190000e+07
    or (resid   80 and name HD12) (resid   43 and name HD11)
    or (resid   80 and name HD12) (resid   43 and name HD13)
    or (resid   80 and name HD11) (resid   43 and name HD12)
    or (resid   80 and name HD11) (resid   43 and name HD11)
    or (resid   80 and name HD11) (resid   43 and name HD13)
    or (resid   80 and name HD13) (resid   43 and name HD12)
    or (resid   80 and name HD13) (resid   43 and name HD11)
    or (resid   80 and name HD13) (resid   43 and name HD13)
assign (resid 68 and name HD12) (resid 68 and name HD22) 2.255 2.255 1.136 weight 1.000 ! spec=HCH, no=2673, id=4268, vol=8.300000e+07
    or (resid   68 and name HD12) (resid   68 and name HD21)
    or (resid   68 and name HD12) (resid   68 and name HD23)
    or (resid   68 and name HD11) (resid   68 and name HD22)
    or (resid   68 and name HD11) (resid   68 and name HD21)
    or (resid   68 and name HD11) (resid   68 and name HD23)
    or (resid   68 and name HD13) (resid   68 and name HD22)
    or (resid   68 and name HD13) (resid   68 and name HD21)
    or (resid   68 and name HD13) (resid   68 and name HD23)
assign (resid 82 and name HA2) (resid 82 and name HA1) 2.255 2.255 1.136 weight 1.000 ! spec=HCH, no=2674, id=4269, vol=8.310000e+07
assign (resid 12 and name HA) (resid 12 and name HB2) 2.254 2.254 1.135 weight 1.000 ! spec=HCH, no=2676, id=4271, vol=8.320000e+07
    or (resid   12 and name   HA) (resid   12 and name  HB1)
assign (resid 69 and name HD1) (resid 69 and name HD2) 2.252 2.252 1.134 weight 1.000 ! spec=HCH, no=2678, id=4273, vol=8.370000e+07
assign (resid 42 and name HE2) (resid 18 and name HE1) 2.250 2.250 1.133 weight 1.000 ! spec=HCH, no=2682, id=4277, vol=8.410000e+07
    or (resid   42 and name  HE2) (resid   18 and name  HE2)
    or (resid   42 and name  HE1) (resid   18 and name  HE1)
    or (resid   42 and name  HE1) (resid   18 and name  HE2)
    or (resid   42 and name  HE3) (resid   18 and name  HE1)
    or (resid   42 and name  HE3) (resid   18 and name  HE2)
assign (resid 44 and name HG22) (resid 44 and name HA) 2.247 2.247 1.131 weight 1.000 ! spec=HCH, no=2685, id=4280, vol=8.470000e+07
    or (resid   44 and name HG21) (resid   44 and name   HA)
    or (resid   44 and name HG23) (resid   44 and name   HA)
assign (resid 26 and name HA) (resid 26 and name HG21) 2.247 2.247 1.131 weight 1.000 ! spec=HCH, no=2687, id=4282, vol=8.480000e+07
    or (resid   26 and name   HA) (resid   26 and name HG22)
    or (resid   26 and name   HA) (resid   26 and name HG23)
assign (resid 89 and name HB) (resid 47 and name HA) 2.246 2.246 1.131 weight 1.000 ! spec=HCH, no=2689, id=4284, vol=8.500000e+07
assign (resid 92 and name HG12) (resid 92 and name HG22) 2.246 2.246 1.13 weight 1.000 ! spec=HCH, no=2690, id=4285, vol=8.510000e+07
    or (resid   92 and name HG12) (resid   92 and name HG21)
    or (resid   92 and name HG12) (resid   92 and name HG23)
assign (resid 7 and name HB1) (resid 7 and name HB2) 2.245 2.245 1.13 weight 1.000 ! spec=HCH, no=2692, id=4287, vol=8.530000e+07
assign (resid 7 and name HG2) (resid 7 and name HG1) 2.243 2.243 1.129 weight 1.000 ! spec=HCH, no=2694, id=4289, vol=8.580000e+07
assign (resid 48 and name HA) (resid 48 and name HB2) 2.240 2.240 1.127 weight 1.000 ! spec=HCH, no=2695, id=4290, vol=8.640000e+07
    or (resid   48 and name   HA) (resid   48 and name  HB1)
assign (resid 92 and name HD12) (resid 92 and name HG22) 2.237 2.237 1.126 weight 1.000 ! spec=HCH, no=2697, id=4292, vol=8.700000e+07
    or (resid   92 and name HD12) (resid   92 and name HG21)
    or (resid   92 and name HD12) (resid   92 and name HG23)
    or (resid   92 and name HD11) (resid   92 and name HG22)
    or (resid   92 and name HD11) (resid   92 and name HG21)
    or (resid   92 and name HD11) (resid   92 and name HG23)
    or (resid   92 and name HD13) (resid   92 and name HG22)
    or (resid   92 and name HD13) (resid   92 and name HG21)
    or (resid   92 and name HD13) (resid   92 and name HG23)
assign (resid 39 and name HB2) (resid 10 and name HH2) 2.236 2.236 1.125 weight 1.000 ! spec=HCH, no=2699, id=4294, vol=8.740000e+07
    or (resid   39 and name  HB1) (resid   10 and name  HH2)
    or (resid   39 and name  HB3) (resid   10 and name  HH2)
assign (resid 7 and name HD1) (resid 7 and name HD2) 2.236 2.236 1.125 weight 1.000 ! spec=HCH, no=2701, id=4296, vol=8.740000e+07
assign (resid 89 and name HN) (resid 89 and name HG12) 2.233 2.233 1.123 weight 1.000 ! spec=HCH, no=2702, id=4297, vol=8.800000e+07
    or (resid   89 and name   HN) (resid   89 and name HG11)
    or (resid   89 and name   HN) (resid   89 and name HG13)
assign (resid 16 and name HD1) (resid 16 and name HD2) 2.231 2.231 1.122 weight 1.000 ! spec=HCH, no=2707, id=4302, vol=8.850000e+07
assign (resid 73 and name HG1) (resid 73 and name HG2) 2.229 2.229 1.121 weight 1.000 ! spec=HCH, no=2708, id=4303, vol=8.890000e+07
assign (resid 119 and name HD1) (resid 119 and name HD2) 2.223 2.223 1.118 weight 1.000 ! spec=HCH, no=2711, id=4305, vol=9.050000e+07
assign (resid 126 and name HB1) (resid 126 and name HB2) 2.223 2.223 1.118 weight 1.000 ! spec=HCH, no=2712, id=4306, vol=9.050000e+07
assign (resid 20 and name HG12) (resid 57 and name HD12) 2.220 2.220 1.116 weight 1.000 ! spec=HCH, no=2714, id=4308, vol=9.120000e+07
    or (resid   20 and name HG12) (resid   57 and name HD11)
    or (resid   20 and name HG12) (resid   57 and name HD13)
    or (resid   20 and name HG11) (resid   57 and name HD12)
    or (resid   20 and name HG11) (resid   57 and name HD11)
    or (resid   20 and name HG11) (resid   57 and name HD13)
    or (resid   20 and name HG13) (resid   57 and name HD12)
    or (resid   20 and name HG13) (resid   57 and name HD11)
    or (resid   20 and name HG13) (resid   57 and name HD13)
assign (resid 50 and name HB2) (resid 50 and name HD12) 2.220 2.220 1.116 weight 1.000 ! spec=HCH, no=2715, id=4309, vol=9.120000e+07
    or (resid   50 and name  HB2) (resid   50 and name HD11)
    or (resid   50 and name  HB2) (resid   50 and name HD13)
assign (resid 37 and name HD1) (resid 37 and name HD2) 2.219 2.219 1.115 weight 1.000 ! spec=HCH, no=2717, id=4311, vol=9.160000e+07
assign (resid 109 and name HG12) (resid 109 and name HA) 2.218 2.218 1.115 weight 1.000 ! spec=HCH, no=2720, id=4314, vol=9.180000e+07
    or (resid  109 and name HG11) (resid  109 and name   HA)
    or (resid  109 and name HG13) (resid  109 and name   HA)
assign (resid 72 and name HA) (resid 72 and name HD22) 2.217 2.217 1.114 weight 1.000 ! spec=HCH, no=2722, id=4316, vol=9.200000e+07
    or (resid   72 and name   HA) (resid   72 and name HD21)
    or (resid   72 and name   HA) (resid   72 and name HD23)
assign (resid 112 and name HB1) (resid 112 and name HG2) 2.216 2.216 1.114 weight 1.000 ! spec=HCH, no=2723, id=4317, vol=9.220000e+07
assign (resid 54 and name HB2) (resid 54 and name HB1) 2.215 2.215 1.113 weight 1.000 ! spec=HCH, no=2724, id=4318, vol=9.250000e+07
assign (resid 32 and name HG22) (resid 32 and name HA) 2.214 2.214 1.113 weight 1.000 ! spec=HCH, no=2726, id=4320, vol=9.270000e+07
    or (resid   32 and name HG21) (resid   32 and name   HA)
    or (resid   32 and name HG23) (resid   32 and name   HA)
assign (resid 90 and name HA) (resid 90 and name HD22) 2.211 2.211 1.111 weight 1.000 ! spec=HCH, no=2729, id=4323, vol=9.340000e+07
    or (resid   90 and name   HA) (resid   90 and name HD21)
    or (resid   90 and name   HA) (resid   90 and name HD23)
    or (resid   90 and name   HA) (resid   90 and name HD12)
    or (resid   90 and name   HA) (resid   90 and name HD11)
    or (resid   90 and name   HA) (resid   90 and name HD13)
assign (resid 42 and name HG2) (resid 42 and name HE2) 2.207 2.207 1.109 weight 1.000 ! spec=HCH, no=2732, id=4326, vol=9.460000e+07
    or (resid   42 and name  HG2) (resid   42 and name  HE1)
    or (resid   42 and name  HG2) (resid   42 and name  HE3)
assign (resid 71 and name HG21) (resid 71 and name HA) 2.205 2.205 1.108 weight 1.000 ! spec=HCH, no=2733, id=4327, vol=9.510000e+07
    or (resid   71 and name HG22) (resid   71 and name   HA)
    or (resid   71 and name HG23) (resid   71 and name   HA)
assign (resid 58 and name HD2) (resid 58 and name HA) 2.204 2.204 1.107 weight 1.000 ! spec=HCH, no=2735, id=4329, vol=9.540000e+07
    or (resid   58 and name  HD1) (resid   58 and name   HA)
assign (resid 46 and name HB2) (resid 46 and name HA) 2.203 2.203 1.107 weight 1.000 ! spec=HCH, no=2736, id=4330, vol=9.540000e+07
    or (resid   46 and name  HB1) (resid   46 and name   HA)
assign (resid 104 and name HG11) (resid 104 and name HG12) 2.202 2.202 1.106 weight 1.000 ! spec=HCH, no=2737, id=4331, vol=9.570000e+07
assign (resid 23 and name HA) (resid 23 and name HG12) 2.202 2.202 1.106 weight 1.000 ! spec=HCH, no=2738, id=4332, vol=9.570000e+07
    or (resid   23 and name   HA) (resid   23 and name HG11)
    or (resid   23 and name   HA) (resid   23 and name HG13)
assign (resid 66 and name HG12) (resid 66 and name HD12) 2.197 2.197 1.104 weight 1.000 ! spec=HCH, no=2741, id=4335, vol=9.700000e+07
    or (resid   66 and name HG12) (resid   66 and name HD11)
    or (resid   66 and name HG12) (resid   66 and name HD13)
assign (resid 58 and name HB2) (resid 58 and name HA) 2.193 2.193 1.101 weight 1.000 ! spec=HCH, no=2745, id=4339, vol=9.820000e+07
    or (resid   58 and name  HB1) (resid   58 and name   HA)
assign (resid 121 and name HG11) (resid 121 and name HG12) 2.192 2.192 1.101 weight 1.000 ! spec=HCH, no=2748, id=4342, vol=9.850000e+07
assign (resid 53 and name HG) (resid 53 and name HD22) 2.190 2.190 1.099 weight 1.000 ! spec=HCH, no=2751, id=4345, vol=9.910000e+07
    or (resid   53 and name   HG) (resid   53 and name HD21)
    or (resid   53 and name   HG) (resid   53 and name HD23)
assign (resid 47 and name HB2) (resid 47 and name HG2) 2.189 2.189 1.099 weight 1.000 ! spec=HCH, no=2752, id=4346, vol=9.930000e+07
    or (resid   47 and name  HB2) (resid   47 and name  HG1)
    or (resid   47 and name  HB1) (resid   47 and name  HG2)
    or (resid   47 and name  HB1) (resid   47 and name  HG1)
assign (resid 92 and name HG12) (resid 92 and name HG11) 2.187 2.187 1.098 weight 1.000 ! spec=HCH, no=2754, id=4348, vol=9.970000e+07
assign (resid 23 and name HB) (resid 23 and name HG12) 2.187 2.187 1.098 weight 1.000 ! spec=HCH, no=2755, id=4349, vol=9.990000e+07
    or (resid   23 and name   HB) (resid   23 and name HG11)
    or (resid   23 and name   HB) (resid   23 and name HG13)
assign (resid 54 and name HB1) (resid 54 and name HD22) 2.183 2.183 1.096 weight 1.000 ! spec=HCH, no=2758, id=4352, vol=1.010000e+08
    or (resid   54 and name  HB1) (resid   54 and name HD21)
    or (resid   54 and name  HB1) (resid   54 and name HD23)
assign (resid 20 and name HG12) (resid 64 and name HD1) 2.180 2.180 1.094 weight 1.000 ! spec=HCH, no=2759, id=4353, vol=1.020000e+08
    or (resid   20 and name HG12) (resid   64 and name  HD2)
    or (resid   20 and name HG11) (resid   64 and name  HD1)
    or (resid   20 and name HG11) (resid   64 and name  HD2)
    or (resid   20 and name HG13) (resid   64 and name  HD1)
    or (resid   20 and name HG13) (resid   64 and name  HD2)
assign (resid 43 and name HD22) (resid 43 and name HG) 2.177 2.177 1.092 weight 1.000 ! spec=HCH, no=2760, id=4354, vol=1.030000e+08
    or (resid   43 and name HD21) (resid   43 and name   HG)
    or (resid   43 and name HD23) (resid   43 and name   HG)
assign (resid 78 and name HB1) (resid 78 and name HB2) 2.175 2.175 1.092 weight 1.000 ! spec=HCH, no=2763, id=4357, vol=1.030000e+08
assign (resid 41 and name HA) (resid 41 and name HD12) 2.175 2.175 1.091 weight 1.000 ! spec=HCH, no=2764, id=4358, vol=1.030000e+08
    or (resid   41 and name   HA) (resid   41 and name HD11)
    or (resid   41 and name   HA) (resid   41 and name HD13)
assign (resid 80 and name HB) (resid 80 and name HG22) 2.170 2.170 1.089 weight 1.000 ! spec=HCH, no=2769, id=4363, vol=1.040000e+08
    or (resid   80 and name   HB) (resid   80 and name HG21)
    or (resid   80 and name   HB) (resid   80 and name HG23)
assign (resid 66 and name HD12) (resid 104 and name HD12) 2.170 2.170 1.089 weight 1.000 ! spec=HCH, no=2770, id=4364, vol=1.040000e+08
    or (resid   66 and name HD12) (resid  104 and name HD11)
    or (resid   66 and name HD12) (resid  104 and name HD13)
    or (resid   66 and name HD11) (resid  104 and name HD12)
    or (resid   66 and name HD11) (resid  104 and name HD11)
    or (resid   66 and name HD11) (resid  104 and name HD13)
    or (resid   66 and name HD13) (resid  104 and name HD12)
    or (resid   66 and name HD13) (resid  104 and name HD11)
    or (resid   66 and name HD13) (resid  104 and name HD13)
assign (resid 53 and name HD12) (resid 42 and name HE2) 2.168 2.168 1.088 weight 1.000 ! spec=HCH, no=2771, id=4365, vol=1.050000e+08
    or (resid   53 and name HD12) (resid   42 and name  HE1)
    or (resid   53 and name HD12) (resid   42 and name  HE3)
    or (resid   53 and name HD11) (resid   42 and name  HE2)
    or (resid   53 and name HD11) (resid   42 and name  HE1)
    or (resid   53 and name HD11) (resid   42 and name  HE3)
    or (resid   53 and name HD13) (resid   42 and name  HE2)
    or (resid   53 and name HD13) (resid   42 and name  HE1)
    or (resid   53 and name HD13) (resid   42 and name  HE3)
assign (resid 59 and name HB2) (resid 59 and name HB1) 2.168 2.168 1.087 weight 1.000 ! spec=HCH, no=2772, id=4366, vol=1.050000e+08
assign (resid 124 and name HB1) (resid 124 and name HB2) 2.166 2.166 1.086 weight 1.000 ! spec=HCH, no=2773, id=4367, vol=1.060000e+08
assign (resid 68 and name HB2) (resid 102 and name HB2) 2.162 2.162 1.084 weight 1.000 ! spec=HCH, no=2779, id=4373, vol=1.070000e+08
    or (resid   68 and name  HB2) (resid  102 and name  HB1)
    or (resid   68 and name  HB2) (resid  102 and name  HB3)
assign (resid 121 and name HB) (resid 121 and name HG22) 2.155 2.155 1.08 weight 1.000 ! spec=HCH, no=2781, id=4375, vol=1.090000e+08
    or (resid  121 and name   HB) (resid  121 and name HG21)
    or (resid  121 and name   HB) (resid  121 and name HG23)
assign (resid 40 and name HN) (resid 39 and name HB2) 2.153 2.153 1.079 weight 1.000 ! spec=HCH, no=2782, id=4376, vol=1.100000e+08
    or (resid   40 and name   HN) (resid   39 and name  HB1)
    or (resid   40 and name   HN) (resid   39 and name  HB3)
assign (resid 40 and name HG21) (resid 80 and name HD12) 2.152 2.152 1.079 weight 1.000 ! spec=HCH, no=2784, id=4378, vol=1.100000e+08
    or (resid   40 and name HG21) (resid   80 and name HD11)
    or (resid   40 and name HG21) (resid   80 and name HD13)
    or (resid   40 and name HG22) (resid   80 and name HD12)
    or (resid   40 and name HG22) (resid   80 and name HD11)
    or (resid   40 and name HG22) (resid   80 and name HD13)
    or (resid   40 and name HG23) (resid   80 and name HD12)
    or (resid   40 and name HG23) (resid   80 and name HD11)
    or (resid   40 and name HG23) (resid   80 and name HD13)
assign (resid 41 and name HG) (resid 41 and name HD12) 2.150 2.150 1.078 weight 1.000 ! spec=HCH, no=2785, id=4379, vol=1.110000e+08
    or (resid   41 and name   HG) (resid   41 and name HD11)
    or (resid   41 and name   HG) (resid   41 and name HD13)
assign (resid 110 and name HB) (resid 110 and name HG21) 2.149 2.149 1.077 weight 1.000 ! spec=HCH, no=2786, id=4380, vol=1.110000e+08
    or (resid  110 and name   HB) (resid  110 and name HG22)
    or (resid  110 and name   HB) (resid  110 and name HG23)
assign (resid 50 and name HD22) (resid 42 and name HE2) 2.148 2.148 1.077 weight 1.000 ! spec=HCH, no=2787, id=4381, vol=1.110000e+08
    or (resid   50 and name HD22) (resid   42 and name  HE1)
    or (resid   50 and name HD22) (resid   42 and name  HE3)
    or (resid   50 and name HD21) (resid   42 and name  HE2)
    or (resid   50 and name HD21) (resid   42 and name  HE1)
    or (resid   50 and name HD21) (resid   42 and name  HE3)
    or (resid   50 and name HD23) (resid   42 and name  HE2)
    or (resid   50 and name HD23) (resid   42 and name  HE1)
    or (resid   50 and name HD23) (resid   42 and name  HE3)
assign (resid 92 and name HB) (resid 92 and name HG22) 2.144 2.144 1.074 weight 1.000 ! spec=HCH, no=2789, id=4383, vol=1.130000e+08
    or (resid   92 and name   HB) (resid   92 and name HG21)
    or (resid   92 and name   HB) (resid   92 and name HG23)
assign (resid 109 and name HG22) (resid 109 and name HB) 2.143 2.143 1.074 weight 1.000 ! spec=HCH, no=2791, id=4385, vol=1.130000e+08
    or (resid  109 and name HG21) (resid  109 and name   HB)
    or (resid  109 and name HG23) (resid  109 and name   HB)
assign (resid 40 and name HB) (resid 40 and name HG21) 2.141 2.141 1.073 weight 1.000 ! spec=HCH, no=2792, id=4386, vol=1.130000e+08
    or (resid   40 and name   HB) (resid   40 and name HG22)
    or (resid   40 and name   HB) (resid   40 and name HG23)
assign (resid 103 and name HA) (resid 103 and name HB2) 2.140 2.140 1.072 weight 1.000 ! spec=HCH, no=2793, id=4387, vol=1.140000e+08
    or (resid  103 and name   HA) (resid  103 and name  HB1)
    or (resid  103 and name   HA) (resid  103 and name  HB3)
assign (resid 43 and name HD12) (resid 43 and name HG) 2.134 2.134 1.069 weight 1.000 ! spec=HCH, no=2796, id=4390, vol=1.160000e+08
    or (resid   43 and name HD11) (resid   43 and name   HG)
    or (resid   43 and name HD13) (resid   43 and name   HG)
assign (resid 57 and name HG22) (resid 57 and name HD12) 2.131 2.131 1.068 weight 1.000 ! spec=HCH, no=2798, id=4392, vol=1.170000e+08
    or (resid   57 and name HG22) (resid   57 and name HD11)
    or (resid   57 and name HG22) (resid   57 and name HD13)
    or (resid   57 and name HG21) (resid   57 and name HD12)
    or (resid   57 and name HG21) (resid   57 and name HD11)
    or (resid   57 and name HG21) (resid   57 and name HD13)
    or (resid   57 and name HG23) (resid   57 and name HD12)
    or (resid   57 and name HG23) (resid   57 and name HD11)
    or (resid   57 and name HG23) (resid   57 and name HD13)
assign (resid 88 and name HB2) (resid 88 and name HA) 2.126 2.126 1.065 weight 1.000 ! spec=HCH, no=2801, id=4394, vol=1.180000e+08
    or (resid   88 and name  HB1) (resid   88 and name   HA)
assign (resid 57 and name HB) (resid 57 and name HG22) 2.126 2.126 1.065 weight 1.000 ! spec=HCH, no=2802, id=4395, vol=1.180000e+08
    or (resid   57 and name   HB) (resid   57 and name HG21)
    or (resid   57 and name   HB) (resid   57 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HG22) 2.124 2.124 1.064 weight 1.000 ! spec=HCH, no=2805, id=4398, vol=1.190000e+08
    or (resid   44 and name   HB) (resid   44 and name HG21)
    or (resid   44 and name   HB) (resid   44 and name HG23)
assign (resid 84 and name HB) (resid 84 and name HG21) 2.124 2.124 1.064 weight 1.000 ! spec=HCH, no=2806, id=4399, vol=1.190000e+08
    or (resid   84 and name   HB) (resid   84 and name HG22)
    or (resid   84 and name   HB) (resid   84 and name HG23)
assign (resid 43 and name HB1) (resid 43 and name HB2) 2.121 2.121 1.062 weight 1.000 ! spec=HCH, no=2807, id=4400, vol=1.200000e+08
assign (resid 45 and name HG2) (resid 45 and name HB1) 2.120 2.120 1.062 weight 1.000 ! spec=HCH, no=2808, id=4401, vol=1.200000e+08
assign (resid 11 and name HD12) (resid 11 and name HA) 2.115 2.115 1.059 weight 1.000 ! spec=HCH, no=2810, id=4403, vol=1.220000e+08
    or (resid   11 and name HD11) (resid   11 and name   HA)
    or (resid   11 and name HD13) (resid   11 and name   HA)
assign (resid 78 and name HD2) (resid 78 and name HG2) 2.113 2.113 1.058 weight 1.000 ! spec=HCH, no=2812, id=4405, vol=1.230000e+08
    or (resid   78 and name  HD1) (resid   78 and name  HG2)
assign (resid 44 and name HD12) (resid 44 and name HG12) 2.106 2.106 1.055 weight 1.000 ! spec=HCH, no=2816, id=4409, vol=1.250000e+08
    or (resid   44 and name HD11) (resid   44 and name HG12)
    or (resid   44 and name HD13) (resid   44 and name HG12)
assign (resid 106 and name HA2) (resid 106 and name HA1) 2.100 2.100 1.051 weight 1.000 ! spec=HCH, no=2819, id=4412, vol=1.270000e+08
assign (resid 60 and name HD2) (resid 60 and name HE2) 2.098 2.098 1.05 weight 1.000 ! spec=HCH, no=2824, id=4416, vol=1.280000e+08
    or (resid   60 and name  HD2) (resid   60 and name  HE1)
    or (resid   60 and name  HD1) (resid   60 and name  HE2)
    or (resid   60 and name  HD1) (resid   60 and name  HE1)
assign (resid 121 and name HG22) (resid 121 and name HD12) 2.089 2.089 1.046 weight 1.000 ! spec=HCH, no=2829, id=4421, vol=1.310000e+08
    or (resid  121 and name HG22) (resid  121 and name HD11)
    or (resid  121 and name HG22) (resid  121 and name HD13)
    or (resid  121 and name HG21) (resid  121 and name HD12)
    or (resid  121 and name HG21) (resid  121 and name HD11)
    or (resid  121 and name HG21) (resid  121 and name HD13)
    or (resid  121 and name HG23) (resid  121 and name HD12)
    or (resid  121 and name HG23) (resid  121 and name HD11)
    or (resid  121 and name HG23) (resid  121 and name HD13)
assign (resid 126 and name HD22) (resid 126 and name HG) 2.084 2.084 1.043 weight 1.000 ! spec=HCH, no=2833, id=4425, vol=1.330000e+08
    or (resid  126 and name HD21) (resid  126 and name   HG)
    or (resid  126 and name HD23) (resid  126 and name   HG)
assign (resid 57 and name HG12) (resid 57 and name HD12) 2.081 2.081 1.041 weight 1.000 ! spec=HCH, no=2835, id=4427, vol=1.340000e+08
    or (resid   57 and name HG12) (resid   57 and name HD11)
    or (resid   57 and name HG12) (resid   57 and name HD13)
assign (resid 23 and name HG22) (resid 23 and name HB) 2.081 2.081 1.041 weight 1.000 ! spec=HCH, no=2836, id=4428, vol=1.340000e+08
    or (resid   23 and name HG21) (resid   23 and name   HB)
    or (resid   23 and name HG23) (resid   23 and name   HB)
assign (resid 32 and name HA) (resid 32 and name HG12) 2.079 2.079 1.04 weight 1.000 ! spec=HCH, no=2837, id=4429, vol=1.350000e+08
    or (resid   32 and name   HA) (resid   32 and name HG11)
    or (resid   32 and name   HA) (resid   32 and name HG13)
assign (resid 102 and name HB2) (resid 66 and name HD12) 2.073 2.073 1.037 weight 1.000 ! spec=HCH, no=2842, id=4434, vol=1.380000e+08
    or (resid  102 and name  HB2) (resid   66 and name HD11)
    or (resid  102 and name  HB2) (resid   66 and name HD13)
    or (resid  102 and name  HB1) (resid   66 and name HD12)
    or (resid  102 and name  HB1) (resid   66 and name HD11)
    or (resid  102 and name  HB1) (resid   66 and name HD13)
    or (resid  102 and name  HB3) (resid   66 and name HD12)
    or (resid  102 and name  HB3) (resid   66 and name HD11)
    or (resid  102 and name  HB3) (resid   66 and name HD13)
assign (resid 123 and name HA) (resid 18 and name HA) 2.071 2.071 1.036 weight 1.000 ! spec=HCH, no=2845, id=4437, vol=1.380000e+08
assign (resid 60 and name HD2) (resid 60 and name HG2) 2.071 2.071 1.036 weight 1.000 ! spec=HCH, no=2846, id=4438, vol=1.380000e+08
    or (resid   60 and name  HD2) (resid   60 and name  HG1)
    or (resid   60 and name  HD1) (resid   60 and name  HG2)
    or (resid   60 and name  HD1) (resid   60 and name  HG1)
assign (resid 126 and name HD12) (resid 126 and name HG) 2.070 2.070 1.036 weight 1.000 ! spec=HCH, no=2847, id=4439, vol=1.390000e+08
    or (resid  126 and name HD11) (resid  126 and name   HG)
    or (resid  126 and name HD13) (resid  126 and name   HG)
assign (resid 50 and name HA) (resid 50 and name HD22) 2.068 2.068 1.034 weight 1.000 ! spec=HCH, no=2850, id=4442, vol=1.400000e+08
    or (resid   50 and name   HA) (resid   50 and name HD21)
    or (resid   50 and name   HA) (resid   50 and name HD23)
assign (resid 42 and name HG1) (resid 42 and name HE2) 2.063 2.063 1.032 weight 1.000 ! spec=HCH, no=2853, id=4445, vol=1.410000e+08
    or (resid   42 and name  HG1) (resid   42 and name  HE1)
    or (resid   42 and name  HG1) (resid   42 and name  HE3)
assign (resid 39 and name HA) (resid 39 and name HB2) 2.063 2.063 1.032 weight 1.000 ! spec=HCH, no=2855, id=4447, vol=1.420000e+08
    or (resid   39 and name   HA) (resid   39 and name  HB1)
    or (resid   39 and name   HA) (resid   39 and name  HB3)
assign (resid 86 and name HB2) (resid 86 and name HB1) 2.062 2.062 1.031 weight 1.000 ! spec=HCH, no=2856, id=4448, vol=1.420000e+08
assign (resid 85 and name HG) (resid 85 and name HD12) 2.061 2.061 1.031 weight 1.000 ! spec=HCH, no=2857, id=4449, vol=1.420000e+08
    or (resid   85 and name   HG) (resid   85 and name HD11)
    or (resid   85 and name   HG) (resid   85 and name HD13)
assign (resid 4 and name HB1) (resid 4 and name HD22) 2.059 2.059 1.03 weight 1.000 ! spec=HCH, no=2859, id=4451, vol=1.430000e+08
    or (resid    4 and name  HB1) (resid    4 and name HD21)
    or (resid    4 and name  HB1) (resid    4 and name HD23)
assign (resid 108 and name HG2) (resid 108 and name HG1) 2.057 2.057 1.029 weight 1.000 ! spec=HCH, no=2860, id=4452, vol=1.440000e+08
assign (resid 89 and name HG22) (resid 89 and name HB) 2.056 2.056 1.028 weight 1.000 ! spec=HCH, no=2862, id=4454, vol=1.450000e+08
    or (resid   89 and name HG21) (resid   89 and name   HB)
    or (resid   89 and name HG23) (resid   89 and name   HB)
assign (resid 51 and name HG2) (resid 51 and name HB2) 2.050 2.050 1.025 weight 1.000 ! spec=HCH, no=2869, id=4461, vol=1.470000e+08
    or (resid   51 and name  HG2) (resid   51 and name  HB1)
assign (resid 22 and name HB2) (resid 22 and name HB1) 2.049 2.049 1.025 weight 1.000 ! spec=HCH, no=2870, id=4462, vol=1.480000e+08
assign (resid 53 and name HD12) (resid 20 and name HG22) 2.047 2.047 1.024 weight 1.000 ! spec=HCH, no=2871, id=4463, vol=1.480000e+08
    or (resid   53 and name HD12) (resid   20 and name HG21)
    or (resid   53 and name HD12) (resid   20 and name HG23)
    or (resid   53 and name HD11) (resid   20 and name HG22)
    or (resid   53 and name HD11) (resid   20 and name HG21)
    or (resid   53 and name HD11) (resid   20 and name HG23)
    or (resid   53 and name HD13) (resid   20 and name HG22)
    or (resid   53 and name HD13) (resid   20 and name HG21)
    or (resid   53 and name HD13) (resid   20 and name HG23)
assign (resid 48 and name HG1) (resid 48 and name HB2) 2.045 2.045 1.023 weight 1.000 ! spec=HCH, no=2873, id=4465, vol=1.490000e+08
    or (resid   48 and name  HG1) (resid   48 and name  HB1)
assign (resid 42 and name HG1) (resid 42 and name HG2) 2.040 2.040 1.02 weight 1.000 ! spec=HCH, no=2875, id=4467, vol=1.520000e+08
assign (resid 57 and name HG11) (resid 57 and name HG12) 2.039 2.039 1.02 weight 1.000 ! spec=HCH, no=2876, id=4468, vol=1.520000e+08
assign (resid 20 and name HB) (resid 20 and name HG22) 2.036 2.036 1.018 weight 1.000 ! spec=HCH, no=2879, id=4471, vol=1.530000e+08
    or (resid   20 and name   HB) (resid   20 and name HG21)
    or (resid   20 and name   HB) (resid   20 and name HG23)
assign (resid 109 and name HB) (resid 109 and name HG12) 2.034 2.034 1.017 weight 1.000 ! spec=HCH, no=2882, id=4474, vol=1.540000e+08
    or (resid  109 and name   HB) (resid  109 and name HG11)
    or (resid  109 and name   HB) (resid  109 and name HG13)
assign (resid 93 and name HB) (resid 93 and name HG21) 2.025 2.025 1.012 weight 1.000 ! spec=HCH, no=2886, id=4478, vol=1.590000e+08
    or (resid   93 and name   HB) (resid   93 and name HG22)
    or (resid   93 and name   HB) (resid   93 and name HG23)
assign (resid 41 and name HD22) (resid 41 and name HD12) 2.020 2.020 1.01 weight 1.000 ! spec=HCH, no=2887, id=4479, vol=1.610000e+08
    or (resid   41 and name HD22) (resid   41 and name HD11)
    or (resid   41 and name HD22) (resid   41 and name HD13)
    or (resid   41 and name HD21) (resid   41 and name HD12)
    or (resid   41 and name HD21) (resid   41 and name HD11)
    or (resid   41 and name HD21) (resid   41 and name HD13)
    or (resid   41 and name HD23) (resid   41 and name HD12)
    or (resid   41 and name HD23) (resid   41 and name HD11)
    or (resid   41 and name HD23) (resid   41 and name HD13)
assign (resid 124 and name HD1) (resid 124 and name HD2) 2.019 2.019 1.009 weight 1.000 ! spec=HCH, no=2889, id=4481, vol=1.610000e+08
assign (resid 20 and name HB) (resid 20 and name HG12) 2.018 2.018 1.009 weight 1.000 ! spec=HCH, no=2891, id=4483, vol=1.620000e+08
    or (resid   20 and name   HB) (resid   20 and name HG11)
    or (resid   20 and name   HB) (resid   20 and name HG13)
assign (resid 125 and name HB1) (resid 125 and name HB2) 2.016 2.016 1.008 weight 1.000 ! spec=HCH, no=2894, id=4486, vol=1.630000e+08
assign (resid 89 and name HA) (resid 89 and name HG12) 2.012 2.012 1.006 weight 1.000 ! spec=HCH, no=2899, id=4491, vol=1.650000e+08
    or (resid   89 and name   HA) (resid   89 and name HG11)
    or (resid   89 and name   HA) (resid   89 and name HG13)
assign (resid 9 and name HB2) (resid 9 and name HB1) 2.009 2.009 1.004 weight 1.000 ! spec=HCH, no=2901, id=4492, vol=1.660000e+08
assign (resid 54 and name HA) (resid 54 and name HD22) 2.009 2.009 1.004 weight 1.000 ! spec=HCH, no=2902, id=4493, vol=1.660000e+08
    or (resid   54 and name   HA) (resid   54 and name HD21)
    or (resid   54 and name   HA) (resid   54 and name HD23)
assign (resid 80 and name HG22) (resid 80 and name HD12) 2.005 2.005 1.003 weight 1.000 ! spec=HCH, no=2904, id=4495, vol=1.680000e+08
    or (resid   80 and name HG22) (resid   80 and name HD11)
    or (resid   80 and name HG22) (resid   80 and name HD13)
    or (resid   80 and name HG21) (resid   80 and name HD12)
    or (resid   80 and name HG21) (resid   80 and name HD11)
    or (resid   80 and name HG21) (resid   80 and name HD13)
    or (resid   80 and name HG23) (resid   80 and name HD12)
    or (resid   80 and name HG23) (resid   80 and name HD11)
    or (resid   80 and name HG23) (resid   80 and name HD13)
assign (resid 32 and name HB) (resid 32 and name HG12) 2.001 2.001 1.001 weight 1.000 ! spec=HCH, no=2905, id=4496, vol=1.700000e+08
    or (resid   32 and name   HB) (resid   32 and name HG11)
    or (resid   32 and name   HB) (resid   32 and name HG13)
assign (resid 104 and name HG11) (resid 104 and name HD12) 1.999 1.999 0.999 weight 1.000 ! spec=HCH, no=2907, id=4498, vol=1.710000e+08
    or (resid  104 and name HG11) (resid  104 and name HD11)
    or (resid  104 and name HG11) (resid  104 and name HD13)
assign (resid 32 and name HB) (resid 32 and name HG22) 1.999 1.999 0.999 weight 1.000 ! spec=HCH, no=2908, id=4499, vol=1.710000e+08
    or (resid   32 and name   HB) (resid   32 and name HG21)
    or (resid   32 and name   HB) (resid   32 and name HG23)
assign (resid 50 and name HG) (resid 50 and name HD12) 1.994 1.994 0.997 weight 1.000 ! spec=HCH, no=2910, id=4501, vol=1.740000e+08
    or (resid   50 and name   HG) (resid   50 and name HD11)
    or (resid   50 and name   HG) (resid   50 and name HD13)
assign (resid 5 and name HB1) (resid 5 and name HG2) 1.990 1.990 0.995 weight 1.000 ! spec=HCH, no=2913, id=4504, vol=1.760000e+08
    or (resid    5 and name  HB1) (resid    5 and name  HG1)
assign (resid 116 and name HB2) (resid 116 and name HB1) 1.988 1.988 0.994 weight 1.000 ! spec=HCH, no=2915, id=4506, vol=1.770000e+08
assign (resid 85 and name HD12) (resid 85 and name HD22) 1.988 1.988 0.994 weight 1.000 ! spec=HCH, no=2916, id=4507, vol=1.770000e+08
    or (resid   85 and name HD12) (resid   85 and name HD21)
    or (resid   85 and name HD12) (resid   85 and name HD23)
    or (resid   85 and name HD11) (resid   85 and name HD22)
    or (resid   85 and name HD11) (resid   85 and name HD21)
    or (resid   85 and name HD11) (resid   85 and name HD23)
    or (resid   85 and name HD13) (resid   85 and name HD22)
    or (resid   85 and name HD13) (resid   85 and name HD21)
    or (resid   85 and name HD13) (resid   85 and name HD23)
assign (resid 53 and name HB1) (resid 57 and name HG12) 1.984 1.984 0.992 weight 1.000 ! spec=HCH, no=2918, id=4509, vol=1.790000e+08
assign (resid 66 and name HG22) (resid 66 and name HD12) 1.983 1.983 0.992 weight 1.000 ! spec=HCH, no=2919, id=4510, vol=1.790000e+08
    or (resid   66 and name HG22) (resid   66 and name HD11)
    or (resid   66 and name HG22) (resid   66 and name HD13)
    or (resid   66 and name HG21) (resid   66 and name HD12)
    or (resid   66 and name HG21) (resid   66 and name HD11)
    or (resid   66 and name HG21) (resid   66 and name HD13)
    or (resid   66 and name HG23) (resid   66 and name HD12)
    or (resid   66 and name HG23) (resid   66 and name HD11)
    or (resid   66 and name HG23) (resid   66 and name HD13)
assign (resid 104 and name HB) (resid 104 and name HG12) 1.974 1.974 0.987 weight 1.000 ! spec=HCH, no=2923, id=4514, vol=1.840000e+08
assign (resid 104 and name HB) (resid 104 and name HG22) 1.971 1.971 0.985 weight 1.000 ! spec=HCH, no=2924, id=4515, vol=1.860000e+08
    or (resid  104 and name   HB) (resid  104 and name HG21)
    or (resid  104 and name   HB) (resid  104 and name HG23)
assign (resid 5 and name HB2) (resid 5 and name HB1) 1.970 1.970 0.985 weight 1.000 ! spec=HCH, no=2925, id=4516, vol=1.870000e+08
assign (resid 104 and name HG12) (resid 104 and name HD12) 1.968 1.968 0.984 weight 1.000 ! spec=HCH, no=2926, id=4517, vol=1.880000e+08
    or (resid  104 and name HG12) (resid  104 and name HD11)
    or (resid  104 and name HG12) (resid  104 and name HD13)
assign (resid 60 and name HB1) (resid 60 and name HD2) 1.956 1.956 0.978 weight 1.000 ! spec=HCH, no=2930, id=4521, vol=1.950000e+08
    or (resid   60 and name  HB1) (resid   60 and name  HD1)
assign (resid 48 and name HG2) (resid 48 and name HB2) 1.949 1.949 0.975 weight 1.000 ! spec=HCH, no=2933, id=4524, vol=1.990000e+08
    or (resid   48 and name  HG2) (resid   48 and name  HB1)
assign (resid 50 and name HD22) (resid 50 and name HG) 1.946 1.946 0.973 weight 1.000 ! spec=HCH, no=2934, id=4525, vol=2.010000e+08
    or (resid   50 and name HD21) (resid   50 and name   HG)
    or (resid   50 and name HD23) (resid   50 and name   HG)
assign (resid 113 and name HB2) (resid 113 and name HB1) 1.944 1.944 0.972 weight 1.000 ! spec=HCH, no=2937, id=4528, vol=2.030000e+08
assign (resid 115 and name HB1) (resid 115 and name HB2) 1.929 1.929 0.965 weight 1.000 ! spec=HCH, no=2945, id=4536, vol=2.120000e+08
assign (resid 24 and name HB2) (resid 24 and name HB1) 1.926 1.926 0.964 weight 1.000 ! spec=HCH, no=2947, id=4538, vol=2.140000e+08
assign (resid 107 and name HB2) (resid 107 and name HB1) 1.918 1.918 0.96 weight 1.000 ! spec=HCH, no=2950, id=4541, vol=2.200000e+08
assign (resid 71 and name HG21) (resid 69 and name HG2) 1.915 1.915 0.959 weight 1.000 ! spec=HCH, no=2952, id=4543, vol=2.210000e+08
    or (resid   71 and name HG21) (resid   69 and name  HG1)
    or (resid   71 and name HG22) (resid   69 and name  HG2)
    or (resid   71 and name HG22) (resid   69 and name  HG1)
    or (resid   71 and name HG23) (resid   69 and name  HG2)
    or (resid   71 and name HG23) (resid   69 and name  HG1)
assign (resid 75 and name HG1) (resid 75 and name HG2) 1.912 1.912 0.957 weight 1.000 ! spec=HCH, no=2953, id=4544, vol=2.230000e+08
assign (resid 53 and name HD12) (resid 53 and name HD22) 1.897 1.897 0.95 weight 1.000 ! spec=HCH, no=2959, id=4550, vol=2.340000e+08
    or (resid   53 and name HD12) (resid   53 and name HD21)
    or (resid   53 and name HD12) (resid   53 and name HD23)
    or (resid   53 and name HD11) (resid   53 and name HD22)
    or (resid   53 and name HD11) (resid   53 and name HD21)
    or (resid   53 and name HD11) (resid   53 and name HD23)
    or (resid   53 and name HD13) (resid   53 and name HD22)
    or (resid   53 and name HD13) (resid   53 and name HD21)
    or (resid   53 and name HD13) (resid   53 and name HD23)
assign (resid 42 and name HE2) (resid 44 and name HG11) 1.885 1.885 0.944 weight 1.000 ! spec=HCH, no=2963, id=4554, vol=2.430000e+08
    or (resid   42 and name  HE1) (resid   44 and name HG11)
    or (resid   42 and name  HE3) (resid   44 and name HG11)
assign (resid 87 and name HB2) (resid 87 and name HB1) 1.877 1.877 0.94 weight 1.000 ! spec=HCH, no=2965, id=4556, vol=2.500000e+08
assign (resid 20 and name HG22) (resid 20 and name HG12) 1.845 1.845 0.925 weight 1.000 ! spec=HCH, no=2977, id=4568, vol=2.770000e+08
    or (resid   20 and name HG22) (resid   20 and name HG11)
    or (resid   20 and name HG22) (resid   20 and name HG13)
    or (resid   20 and name HG21) (resid   20 and name HG12)
    or (resid   20 and name HG21) (resid   20 and name HG11)
    or (resid   20 and name HG21) (resid   20 and name HG13)
    or (resid   20 and name HG23) (resid   20 and name HG12)
    or (resid   20 and name HG23) (resid   20 and name HG11)
    or (resid   20 and name HG23) (resid   20 and name HG13)
assign (resid 49 and name HB2) (resid 49 and name HG1) 1.834 1.834 0.92 weight 1.000 ! spec=HCH, no=2979, id=4570, vol=2.870000e+08
assign (resid 104 and name HD12) (resid 104 and name HG22) 1.831 1.831 0.919 weight 1.000 ! spec=HCH, no=2981, id=4572, vol=2.900000e+08
    or (resid  104 and name HD12) (resid  104 and name HG21)
    or (resid  104 and name HD12) (resid  104 and name HG23)
    or (resid  104 and name HD11) (resid  104 and name HG22)
    or (resid  104 and name HD11) (resid  104 and name HG21)
    or (resid  104 and name HD11) (resid  104 and name HG23)
    or (resid  104 and name HD13) (resid  104 and name HG22)
    or (resid  104 and name HD13) (resid  104 and name HG21)
    or (resid  104 and name HD13) (resid  104 and name HG23)
assign (resid 105 and name HB1) (resid 105 and name HB2) 1.819 1.819 0.914 weight 1.000 ! spec=HCH, no=2984, id=4575, vol=3.010000e+08
assign (resid 90 and name HG) (resid 90 and name HD22) 1.813 1.813 0.911 weight 1.000 ! spec=HCH, no=2986, id=4576, vol=3.070000e+08
    or (resid   90 and name   HG) (resid   90 and name HD21)
    or (resid   90 and name   HG) (resid   90 and name HD23)
    or (resid   90 and name   HG) (resid   90 and name HD12)
    or (resid   90 and name   HG) (resid   90 and name HD11)
    or (resid   90 and name   HG) (resid   90 and name HD13)
assign (resid 62 and name HB2) (resid 62 and name HB1) 1.794 1.794 0.902 weight 1.000 ! spec=HCH, no=2990, id=4580, vol=3.280000e+08
    or (resid   62 and name  HB2) (resid   62 and name  HB1)
assign (resid 59 and name HG2) (resid 59 and name HG1) 1.789 1.789 0.9 weight 1.000 ! spec=HCH, no=2992, id=4582, vol=3.330000e+08
assign (resid 137 and name HB2) (resid 137 and name HB1) 1.772 1.772 0.893 weight 1.000 ! spec=HCH, no=2998, id=4588, vol=3.520000e+08
assign (resid 50 and name HD22) (resid 44 and name HD12) 1.760 1.760 0.887 weight 1.000 ! spec=HCH, no=3002, id=4592, vol=3.670000e+08
    or (resid   50 and name HD22) (resid   44 and name HD11)
    or (resid   50 and name HD22) (resid   44 and name HD13)
    or (resid   50 and name HD21) (resid   44 and name HD12)
    or (resid   50 and name HD21) (resid   44 and name HD11)
    or (resid   50 and name HD21) (resid   44 and name HD13)
    or (resid   50 and name HD23) (resid   44 and name HD12)
    or (resid   50 and name HD23) (resid   44 and name HD11)
    or (resid   50 and name HD23) (resid   44 and name HD13)
assign (resid 56 and name HB2) (resid 56 and name HB1) 1.735 1.735 0.876 weight 1.000 ! spec=HCH, no=3007, id=4597, vol=4.010000e+08
    or (resid   56 and name  HB2) (resid   56 and name  HB1)
assign (resid 69 and name HG2) (resid 69 and name HG1) 1.729 1.729 0.874 weight 1.000 ! spec=HCH, no=3012, id=4602, vol=4.080000e+08
    or (resid   69 and name  HG2) (resid   69 and name  HG1)
assign (resid 11 and name HG) (resid 11 and name HB2) 1.708 1.708 0.865 weight 1.000 ! spec=HCH, no=3022, id=4612, vol=4.400000e+08
    or (resid   11 and name   HG) (resid   11 and name  HB1)
assign (resid 28 and name HB2) (resid 28 and name HB1) 1.706 1.706 0.864 weight 1.000 ! spec=HCH, no=3024, id=4614, vol=4.440000e+08
assign (resid 14 and name HB2) (resid 14 and name HB1) 1.646 1.646 0.839 weight 1.000 ! spec=HCH, no=3035, id=4625, vol=5.500000e+08
    or (resid   14 and name  HB2) (resid   14 and name  HB1)
assign (resid 108 and name HB2) (resid 108 and name HB1) 1.604 1.604 0.822 weight 1.000 ! spec=HCH, no=3043, id=4633, vol=6.410000e+08
    or (resid  108 and name  HB2) (resid  108 and name  HB1)
assign (resid 48 and name HG1) (resid 48 and name HG2) 1.590 1.590 0.816 weight 1.000 ! spec=HCH, no=3048, id=4638, vol=6.760000e+08
assign (resid 68 and name HD12) (resid 68 and name HD11) 1.569 1.569 0.808 weight 1.000 ! spec=HCH, no=3053, id=4643, vol=7.330000e+08
    or (resid   68 and name HD12) (resid   68 and name HD13)
    or (resid   68 and name HD12) (resid   68 and name HD11)
    or (resid   68 and name HD11) (resid   68 and name HD13)
    or (resid   68 and name HD12) (resid   68 and name HD13)
    or (resid   68 and name HD11) (resid   68 and name HD13)
assign (resid 7 and name HD1) (resid 124 and name HE2) 1.559 1.559 0.804 weight 1.000 ! spec=HCH, no=3056, id=4646, vol=7.590000e+08
    or (resid    7 and name  HD1) (resid  124 and name  HE1)
assign (resid 97 and name HG1) (resid 97 and name HG2) 1.558 1.558 0.803 weight 1.000 ! spec=HCH, no=3057, id=4647, vol=7.630000e+08
assign (resid 117 and name HB2) (resid 117 and name HB1) 1.540 1.540 0.796 weight 1.000 ! spec=HCH, no=3059, id=4649, vol=8.190000e+08
    or (resid  117 and name  HB2) (resid  117 and name  HB1)
assign (resid 58 and name HB2) (resid 58 and name HB1) 1.507 1.507 0.784 weight 1.000 ! spec=HCH, no=3071, id=4661, vol=9.320000e+08
    or (resid   58 and name  HB2) (resid   58 and name  HB1)
assign (resid 14 and name HD2) (resid 14 and name HD1) 1.492 1.492 0.778 weight 1.000 ! spec=HCH, no=3076, id=4666, vol=9.910000e+08
    or (resid   14 and name  HD2) (resid   14 and name  HD1)
assign (resid 41 and name HD22) (resid 41 and name HD21) 1.492 1.492 0.778 weight 1.000 ! spec=HCH, no=3077, id=4667, vol=9.920000e+08
    or (resid   41 and name HD22) (resid   41 and name HD23)
    or (resid   41 and name HD22) (resid   41 and name HD21)
    or (resid   41 and name HD21) (resid   41 and name HD23)
    or (resid   41 and name HD22) (resid   41 and name HD23)
    or (resid   41 and name HD21) (resid   41 and name HD23)
assign (resid 88 and name HB2) (resid 88 and name HB1) 1.491 1.491 0.778 weight 1.000 ! spec=HCH, no=3078, id=4668, vol=9.940000e+08
    or (resid   88 and name  HB2) (resid   88 and name  HB1)
assign (resid 51 and name HB2) (resid 51 and name HB1) 1.491 1.491 0.778 weight 1.000 ! spec=HCH, no=3079, id=4669, vol=9.960000e+08
    or (resid   51 and name  HB2) (resid   51 and name  HB1)
assign (resid 68 and name HD22) (resid 68 and name HD21) 1.485 1.485 0.776 weight 1.000 ! spec=HCH, no=3081, id=4671, vol=1.020000e+09
    or (resid   68 and name HD22) (resid   68 and name HD23)
    or (resid   68 and name HD22) (resid   68 and name HD21)
    or (resid   68 and name HD21) (resid   68 and name HD23)
    or (resid   68 and name HD22) (resid   68 and name HD23)
    or (resid   68 and name HD21) (resid   68 and name HD23)
assign (resid 131 and name HB2) (resid 131 and name HB1) 1.475 1.475 0.772 weight 1.000 ! spec=HCH, no=3087, id=4677, vol=1.060000e+09
    or (resid  131 and name  HB2) (resid  131 and name  HB1)
assign (resid 48 and name HB2) (resid 48 and name HB1) 1.456 1.456 0.765 weight 1.000 ! spec=HCH, no=3092, id=4682, vol=1.150000e+09
    or (resid   48 and name  HB2) (resid   48 and name  HB1)
assign (resid 12 and name HB2) (resid 12 and name HB1) 1.427 1.427 0.755 weight 1.000 ! spec=HCH, no=3096, id=4686, vol=1.290000e+09
    or (resid   12 and name  HB2) (resid   12 and name  HB1)
assign (resid 51 and name HD2) (resid 51 and name HD1) 1.417 1.417 0.751 weight 1.000 ! spec=HCH, no=3099, id=4689, vol=1.350000e+09
assign (resid 92 and name HD12) (resid 92 and name HD11) 1.415 1.415 0.75 weight 1.000 ! spec=HCH, no=3101, id=4691, vol=1.360000e+09
    or (resid   92 and name HD12) (resid   92 and name HD13)
    or (resid   92 and name HD12) (resid   92 and name HD11)
    or (resid   92 and name HD11) (resid   92 and name HD13)
    or (resid   92 and name HD12) (resid   92 and name HD13)
    or (resid   92 and name HD11) (resid   92 and name HD13)
assign (resid 60 and name HD2) (resid 60 and name HD1) 1.414 1.414 0.75 weight 1.000 ! spec=HCH, no=3102, id=4692, vol=1.360000e+09
    or (resid   60 and name  HD2) (resid   60 and name  HD1)
assign (resid 47 and name HG2) (resid 47 and name HG1) 1.412 1.412 0.749 weight 1.000 ! spec=HCH, no=3103, id=4693, vol=1.380000e+09
    or (resid   47 and name  HG2) (resid   47 and name  HG1)
assign (resid 85 and name HD22) (resid 85 and name HD21) 1.393 1.393 0.743 weight 1.000 ! spec=HCH, no=3108, id=4698, vol=1.490000e+09
    or (resid   85 and name HD22) (resid   85 and name HD23)
    or (resid   85 and name HD22) (resid   85 and name HD21)
    or (resid   85 and name HD21) (resid   85 and name HD23)
    or (resid   85 and name HD22) (resid   85 and name HD23)
    or (resid   85 and name HD21) (resid   85 and name HD23)
assign (resid 66 and name HG22) (resid 66 and name HG21) 1.393 1.393 0.743 weight 1.000 ! spec=HCH, no=3109, id=4699, vol=1.490000e+09
    or (resid   66 and name HG22) (resid   66 and name HG23)
    or (resid   66 and name HG22) (resid   66 and name HG21)
    or (resid   66 and name HG21) (resid   66 and name HG23)
    or (resid   66 and name HG22) (resid   66 and name HG23)
    or (resid   66 and name HG21) (resid   66 and name HG23)
assign (resid 121 and name HD12) (resid 121 and name HD11) 1.373 1.373 0.736 weight 1.000 ! spec=HCH, no=3113, id=4703, vol=1.630000e+09
    or (resid  121 and name HD12) (resid  121 and name HD13)
    or (resid  121 and name HD12) (resid  121 and name HD11)
    or (resid  121 and name HD11) (resid  121 and name HD13)
    or (resid  121 and name HD12) (resid  121 and name HD13)
    or (resid  121 and name HD11) (resid  121 and name HD13)
assign (resid 121 and name HG22) (resid 121 and name HG21) 1.370 1.370 0.735 weight 1.000 ! spec=HCH, no=3114, id=4704, vol=1.650000e+09
    or (resid  121 and name HG22) (resid  121 and name HG23)
    or (resid  121 and name HG22) (resid  121 and name HG21)
    or (resid  121 and name HG21) (resid  121 and name HG23)
    or (resid  121 and name HG22) (resid  121 and name HG23)
    or (resid  121 and name HG21) (resid  121 and name HG23)
assign (resid 124 and name HE2) (resid 124 and name HE1) 1.369 1.369 0.734 weight 1.000 ! spec=HCH, no=3115, id=4705, vol=1.660000e+09
    or (resid  124 and name  HE2) (resid  124 and name  HE1)
assign (resid 39 and name HB2) (resid 39 and name HB1) 1.366 1.366 0.733 weight 1.000 ! spec=HCH, no=3116, id=4706, vol=1.680000e+09
    or (resid   39 and name  HB2) (resid   39 and name  HB3)
    or (resid   39 and name  HB2) (resid   39 and name  HB1)
    or (resid   39 and name  HB1) (resid   39 and name  HB3)
    or (resid   39 and name  HB2) (resid   39 and name  HB3)
    or (resid   39 and name  HB1) (resid   39 and name  HB3)
assign (resid 134 and name HB2) (resid 134 and name HB1) 1.345 1.345 0.726 weight 1.000 ! spec=HCH, no=3119, id=4709, vol=1.840000e+09
    or (resid  134 and name  HB2) (resid  134 and name  HB1)
assign (resid 37 and name HE2) (resid 37 and name HE1) 1.326 1.326 0.72 weight 1.000 ! spec=HCH, no=3122, id=4712, vol=2.000000e+09
    or (resid   37 and name  HE2) (resid   37 and name  HE1)
assign (resid 80 and name HG22) (resid 80 and name HG21) 1.325 1.325 0.719 weight 1.000 ! spec=HCH, no=3123, id=4713, vol=2.020000e+09
    or (resid   80 and name HG22) (resid   80 and name HG23)
    or (resid   80 and name HG22) (resid   80 and name HG21)
    or (resid   80 and name HG21) (resid   80 and name HG23)
    or (resid   80 and name HG22) (resid   80 and name HG23)
    or (resid   80 and name HG21) (resid   80 and name HG23)
assign (resid 41 and name HD12) (resid 41 and name HD11) 1.313 1.313 0.716 weight 1.000 ! spec=HCH, no=3125, id=4715, vol=2.130000e+09
    or (resid   41 and name HD12) (resid   41 and name HD13)
    or (resid   41 and name HD12) (resid   41 and name HD11)
    or (resid   41 and name HD11) (resid   41 and name HD13)
    or (resid   41 and name HD12) (resid   41 and name HD13)
    or (resid   41 and name HD11) (resid   41 and name HD13)
assign (resid 57 and name HG22) (resid 57 and name HG21) 1.299 1.299 0.711 weight 1.000 ! spec=HCH, no=3126, id=4716, vol=2.270000e+09
    or (resid   57 and name HG22) (resid   57 and name HG23)
    or (resid   57 and name HG22) (resid   57 and name HG21)
    or (resid   57 and name HG21) (resid   57 and name HG23)
    or (resid   57 and name HG22) (resid   57 and name HG23)
    or (resid   57 and name HG21) (resid   57 and name HG23)
assign (resid 96 and name HG21) (resid 96 and name HG22) 1.297 1.297 0.71 weight 1.000 ! spec=HCH, no=3127, id=4717, vol=2.300000e+09
    or (resid   96 and name HG21) (resid   96 and name HG23)
    or (resid   96 and name HG21) (resid   96 and name HG22)
    or (resid   96 and name HG22) (resid   96 and name HG23)
    or (resid   96 and name HG21) (resid   96 and name HG23)
    or (resid   96 and name HG22) (resid   96 and name HG23)
assign (resid 26 and name HG21) (resid 26 and name HG22) 1.285 1.285 0.707 weight 1.000 ! spec=HCH, no=3128, id=4718, vol=2.420000e+09
    or (resid   26 and name HG21) (resid   26 and name HG23)
    or (resid   26 and name HG21) (resid   26 and name HG22)
    or (resid   26 and name HG22) (resid   26 and name HG23)
    or (resid   26 and name HG21) (resid   26 and name HG23)
    or (resid   26 and name HG22) (resid   26 and name HG23)
assign (resid 80 and name HD12) (resid 80 and name HD11) 1.278 1.278 0.704 weight 1.000 ! spec=HCH, no=3129, id=4719, vol=2.510000e+09
    or (resid   80 and name HD12) (resid   80 and name HD13)
    or (resid   80 and name HD12) (resid   80 and name HD11)
    or (resid   80 and name HD11) (resid   80 and name HD13)
    or (resid   80 and name HD12) (resid   80 and name HD13)
    or (resid   80 and name HD11) (resid   80 and name HD13)
assign (resid 104 and name HD12) (resid 104 and name HD11) 1.272 1.272 0.702 weight 1.000 ! spec=HCH, no=3130, id=4720, vol=2.580000e+09
    or (resid  104 and name HD12) (resid  104 and name HD13)
    or (resid  104 and name HD12) (resid  104 and name HD11)
    or (resid  104 and name HD11) (resid  104 and name HD13)
    or (resid  104 and name HD12) (resid  104 and name HD13)
    or (resid  104 and name HD11) (resid  104 and name HD13)
assign (resid 129 and name HG2) (resid 129 and name HG1) 1.267 1.267 0.701 weight 1.000 ! spec=HCH, no=3132, id=4722, vol=2.640000e+09
    or (resid  129 and name  HG2) (resid  129 and name  HG1)
assign (resid 57 and name HD12) (resid 57 and name HD11) 1.263 1.263 0.699 weight 1.000 ! spec=HCH, no=3133, id=4723, vol=2.700000e+09
    or (resid   57 and name HD12) (resid   57 and name HD13)
    or (resid   57 and name HD12) (resid   57 and name HD11)
    or (resid   57 and name HD11) (resid   57 and name HD13)
    or (resid   57 and name HD12) (resid   57 and name HD13)
    or (resid   57 and name HD11) (resid   57 and name HD13)
assign (resid 109 and name HG12) (resid 109 and name HG11) 1.262 1.262 0.699 weight 1.000 ! spec=HCH, no=3134, id=4724, vol=2.710000e+09
    or (resid  109 and name HG12) (resid  109 and name HG13)
    or (resid  109 and name HG12) (resid  109 and name HG11)
    or (resid  109 and name HG11) (resid  109 and name HG13)
    or (resid  109 and name HG12) (resid  109 and name HG13)
    or (resid  109 and name HG11) (resid  109 and name HG13)
assign (resid 92 and name HG22) (resid 92 and name HG21) 1.258 1.258 0.698 weight 1.000 ! spec=HCH, no=3135, id=4725, vol=2.750000e+09
    or (resid   92 and name HG22) (resid   92 and name HG23)
    or (resid   92 and name HG22) (resid   92 and name HG21)
    or (resid   92 and name HG21) (resid   92 and name HG23)
    or (resid   92 and name HG22) (resid   92 and name HG23)
    or (resid   92 and name HG21) (resid   92 and name HG23)
assign (resid 20 and name HG22) (resid 20 and name HG21) 1.256 1.256 0.697 weight 1.000 ! spec=HCH, no=3136, id=4726, vol=2.780000e+09
    or (resid   20 and name HG22) (resid   20 and name HG23)
    or (resid   20 and name HG22) (resid   20 and name HG21)
    or (resid   20 and name HG21) (resid   20 and name HG23)
    or (resid   20 and name HG22) (resid   20 and name HG23)
    or (resid   20 and name HG21) (resid   20 and name HG23)
assign (resid 110 and name HG21) (resid 110 and name HG22) 1.235 1.235 0.691 weight 1.000 ! spec=HCH, no=3137, id=4727, vol=3.080000e+09
    or (resid  110 and name HG21) (resid  110 and name HG23)
    or (resid  110 and name HG21) (resid  110 and name HG22)
    or (resid  110 and name HG22) (resid  110 and name HG23)
    or (resid  110 and name HG21) (resid  110 and name HG23)
    or (resid  110 and name HG22) (resid  110 and name HG23)
assign (resid 40 and name HG21) (resid 40 and name HG22) 1.223 1.223 0.687 weight 1.000 ! spec=HCH, no=3139, id=4729, vol=3.270000e+09
    or (resid   40 and name HG21) (resid   40 and name HG23)
    or (resid   40 and name HG21) (resid   40 and name HG22)
    or (resid   40 and name HG22) (resid   40 and name HG23)
    or (resid   40 and name HG21) (resid   40 and name HG23)
    or (resid   40 and name HG22) (resid   40 and name HG23)
assign (resid 53 and name HD12) (resid 53 and name HD11) 1.206 1.206 0.682 weight 1.000 ! spec=HCH, no=3142, id=4732, vol=3.550000e+09
    or (resid   53 and name HD12) (resid   53 and name HD13)
    or (resid   53 and name HD12) (resid   53 and name HD11)
    or (resid   53 and name HD11) (resid   53 and name HD13)
    or (resid   53 and name HD12) (resid   53 and name HD13)
    or (resid   53 and name HD11) (resid   53 and name HD13)
assign (resid 104 and name HG22) (resid 104 and name HG21) 1.198 1.198 0.68 weight 1.000 ! spec=HCH, no=3143, id=4733, vol=3.690000e+09
    or (resid  104 and name HG22) (resid  104 and name HG23)
    or (resid  104 and name HG22) (resid  104 and name HG21)
    or (resid  104 and name HG21) (resid  104 and name HG23)
    or (resid  104 and name HG22) (resid  104 and name HG23)
    or (resid  104 and name HG21) (resid  104 and name HG23)
assign (resid 53 and name HD22) (resid 53 and name HD21) 1.180 1.180 0.674 weight 1.000 ! spec=HCH, no=3145, id=4735, vol=4.040000e+09
    or (resid   53 and name HD22) (resid   53 and name HD23)
    or (resid   53 and name HD22) (resid   53 and name HD21)
    or (resid   53 and name HD21) (resid   53 and name HD23)
    or (resid   53 and name HD22) (resid   53 and name HD23)
    or (resid   53 and name HD21) (resid   53 and name HD23)
assign (resid 126 and name HD12) (resid 126 and name HD11) 1.180 1.180 0.674 weight 1.000 ! spec=HCH, no=3146, id=4736, vol=4.050000e+09
    or (resid  126 and name HD12) (resid  126 and name HD13)
    or (resid  126 and name HD12) (resid  126 and name HD11)
    or (resid  126 and name HD11) (resid  126 and name HD13)
    or (resid  126 and name HD12) (resid  126 and name HD13)
    or (resid  126 and name HD11) (resid  126 and name HD13)
assign (resid 126 and name HD22) (resid 126 and name HD21) 1.175 1.175 0.673 weight 1.000 ! spec=HCH, no=3147, id=4737, vol=4.140000e+09
    or (resid  126 and name HD22) (resid  126 and name HD23)
    or (resid  126 and name HD22) (resid  126 and name HD21)
    or (resid  126 and name HD21) (resid  126 and name HD23)
    or (resid  126 and name HD22) (resid  126 and name HD23)
    or (resid  126 and name HD21) (resid  126 and name HD23)
assign (resid 32 and name HG12) (resid 32 and name HG11) 1.128 1.128 0.659 weight 1.000 ! spec=HCH, no=3149, id=4739, vol=5.300000e+09
    or (resid   32 and name HG12) (resid   32 and name HG13)
    or (resid   32 and name HG12) (resid   32 and name HG11)
    or (resid   32 and name HG11) (resid   32 and name HG13)
    or (resid   32 and name HG12) (resid   32 and name HG13)
    or (resid   32 and name HG11) (resid   32 and name HG13)
assign (resid 89 and name HG22) (resid 89 and name HG21) 1.118 1.118 0.656 weight 1.000 ! spec=HCH, no=3150, id=4740, vol=5.610000e+09
    or (resid   89 and name HG22) (resid   89 and name HG23)
    or (resid   89 and name HG22) (resid   89 and name HG21)
    or (resid   89 and name HG21) (resid   89 and name HG23)
    or (resid   89 and name HG22) (resid   89 and name HG23)
    or (resid   89 and name HG21) (resid   89 and name HG23)
assign (resid 84 and name HG21) (resid 84 and name HG22) 1.117 1.117 0.656 weight 1.000 ! spec=HCH, no=3151, id=4741, vol=5.610000e+09
    or (resid   84 and name HG21) (resid   84 and name HG23)
    or (resid   84 and name HG21) (resid   84 and name HG22)
    or (resid   84 and name HG22) (resid   84 and name HG23)
    or (resid   84 and name HG21) (resid   84 and name HG23)
    or (resid   84 and name HG22) (resid   84 and name HG23)
assign (resid 42 and name HE2) (resid 42 and name HE1) 1.110 1.110 0.654 weight 1.000 ! spec=HCH, no=3153, id=4743, vol=5.830000e+09
    or (resid   42 and name  HE2) (resid   42 and name  HE3)
    or (resid   42 and name  HE2) (resid   42 and name  HE1)
    or (resid   42 and name  HE1) (resid   42 and name  HE3)
    or (resid   42 and name  HE2) (resid   42 and name  HE3)
    or (resid   42 and name  HE1) (resid   42 and name  HE3)
assign (resid 23 and name HG22) (resid 23 and name HG21) 1.110 1.110 0.654 weight 1.000 ! spec=HCH, no=3154, id=4744, vol=5.840000e+09
    or (resid   23 and name HG22) (resid   23 and name HG23)
    or (resid   23 and name HG22) (resid   23 and name HG21)
    or (resid   23 and name HG21) (resid   23 and name HG23)
    or (resid   23 and name HG22) (resid   23 and name HG23)
    or (resid   23 and name HG21) (resid   23 and name HG23)
assign (resid 135 and name HG22) (resid 135 and name HG21) 1.095 1.095 0.65 weight 1.000 ! spec=HCH, no=3156, id=4746, vol=6.320000e+09
    or (resid  135 and name HG22) (resid  135 and name HG23)
    or (resid  135 and name HG22) (resid  135 and name HG21)
    or (resid  135 and name HG21) (resid  135 and name HG23)
    or (resid  135 and name HG22) (resid  135 and name HG23)
    or (resid  135 and name HG21) (resid  135 and name HG23)
assign (resid 93 and name HG21) (resid 93 and name HG22) 1.080 1.080 0.646 weight 1.000 ! spec=HCH, no=3157, id=4747, vol=6.870000e+09
    or (resid   93 and name HG21) (resid   93 and name HG23)
    or (resid   93 and name HG21) (resid   93 and name HG22)
    or (resid   93 and name HG22) (resid   93 and name HG23)
    or (resid   93 and name HG21) (resid   93 and name HG23)
    or (resid   93 and name HG22) (resid   93 and name HG23)
assign (resid 135 and name HG12) (resid 135 and name HG11) 1.064 1.064 0.642 weight 1.000 ! spec=HCH, no=3161, id=4751, vol=7.510000e+09
    or (resid  135 and name HG12) (resid  135 and name HG13)
    or (resid  135 and name HG12) (resid  135 and name HG11)
    or (resid  135 and name HG11) (resid  135 and name HG13)
    or (resid  135 and name HG12) (resid  135 and name HG13)
    or (resid  135 and name HG11) (resid  135 and name HG13)
assign (resid 4 and name HD22) (resid 4 and name HD21) 1.043 1.043 0.636 weight 1.000 ! spec=HCH, no=3162, id=4752, vol=8.500000e+09
    or (resid    4 and name HD22) (resid    4 and name HD23)
    or (resid    4 and name HD22) (resid    4 and name HD21)
    or (resid    4 and name HD21) (resid    4 and name HD23)
    or (resid    4 and name HD22) (resid    4 and name HD23)
    or (resid    4 and name HD21) (resid    4 and name HD23)
assign (resid 10 and name HD1) (resid 9 and name HB1) 3.336 3.336 1.891 weight 1.000 ! spec=HCHaro, no=8, id=4766, vol=6.080000e+06
assign (resid 70 and name HE1) (resid 76 and name HN) 3.336 3.336 1.891 weight 1.000 ! spec=HCHaro, no=9, id=4767, vol=6.080000e+06
    or (resid   70 and name  HE2) (resid   76 and name   HN)
assign (resid 18 and name HE1) (resid 18 and name HB1) 3.335 3.335 1.89 weight 1.000 ! spec=HCHaro, no=10, id=4768, vol=6.090000e+06
    or (resid   18 and name  HE2) (resid   18 and name  HB1)
assign (resid 79 and name HD1) (resid 78 and name HG2) 3.332 3.332 1.888 weight 1.000 ! spec=HCHaro, no=11, id=4769, vol=6.120000e+06
assign (resid 18 and name HE1) (resid 18 and name HB2) 3.326 3.326 1.883 weight 1.000 ! spec=HCHaro, no=16, id=4774, vol=6.180000e+06
    or (resid   18 and name  HE2) (resid   18 and name  HB2)
assign (resid 18 and name HE1) (resid 52 and name HD1) 3.326 3.326 1.882 weight 1.000 ! spec=HCHaro, no=17, id=4775, vol=6.190000e+06
    or (resid   18 and name  HE1) (resid   52 and name  HD2)
    or (resid   18 and name  HE2) (resid   52 and name  HD1)
    or (resid   18 and name  HE2) (resid   52 and name  HD2)
assign (resid 25 and name HD22) (resid 30 and name HA1) 3.323 3.323 1.88 weight 1.000 ! spec=HCHaro, no=21, id=4779, vol=6.220000e+06
assign (resid 127 and name HE1) (resid 126 and name HB1) 3.321 3.321 1.879 weight 1.000 ! spec=HCHaro, no=23, id=4781, vol=6.240000e+06
    or (resid  127 and name  HE2) (resid  126 and name  HB1)
assign (resid 13 and name HE1) (resid 14 and name HG1) 3.321 3.321 1.879 weight 1.000 ! spec=HCHaro, no=24, id=4782, vol=6.240000e+06
assign (resid 79 and name HE3) (resid 66 and name HB) 3.319 3.319 1.877 weight 1.000 ! spec=HCHaro, no=27, id=4784, vol=6.260000e+06
assign (resid 79 and name HZ2) (resid 68 and name HD12) 3.318 3.318 1.877 weight 1.000 ! spec=HCHaro, no=28, id=4785, vol=6.270000e+06
    or (resid   79 and name  HZ2) (resid   68 and name HD11)
    or (resid   79 and name  HZ2) (resid   68 and name HD13)
assign (resid 137 and name HD1) (resid 137 and name HB1) 3.312 3.312 1.871 weight 1.000 ! spec=HCHaro, no=30, id=4787, vol=6.340000e+06
    or (resid  137 and name  HD2) (resid  137 and name  HB1)
assign (resid 27 and name HZ2) (resid 67 and name HA2) 3.299 3.299 1.861 weight 1.000 ! spec=HCHaro, no=40, id=4797, vol=6.490000e+06
assign (resid 30 and name HN) (resid 25 and name HD22) 3.291 3.291 1.854 weight 1.000 ! spec=HCHaro, no=44, id=4801, vol=6.590000e+06
assign (resid 65 and name HD1) (resid 27 and name HA) 3.284 3.284 1.848 weight 1.000 ! spec=HCHaro, no=46, id=4803, vol=6.680000e+06
assign (resid 70 and name HE1) (resid 72 and name HG) 3.280 3.280 1.844 weight 1.000 ! spec=HCHaro, no=48, id=4805, vol=6.730000e+06
    or (resid   70 and name  HE2) (resid   72 and name   HG)
assign (resid 77 and name HD1) (resid 68 and name HD22) 3.278 3.278 1.843 weight 1.000 ! spec=HCHaro, no=50, id=4806, vol=6.750000e+06
    or (resid   77 and name  HD1) (resid   68 and name HD21)
    or (resid   77 and name  HD1) (resid   68 and name HD23)
assign (resid 102 and name HB2) (resid 111 and name HE1) 3.274 3.274 1.84 weight 1.000 ! spec=HCHaro, no=52, id=4808, vol=6.800000e+06
    or (resid  102 and name  HB2) (resid  111 and name  HE2)
    or (resid  102 and name  HB1) (resid  111 and name  HE1)
    or (resid  102 and name  HB1) (resid  111 and name  HE2)
    or (resid  102 and name  HB3) (resid  111 and name  HE1)
    or (resid  102 and name  HB3) (resid  111 and name  HE2)
assign (resid 79 and name HZ2) (resid 85 and name HG) 3.272 3.272 1.838 weight 1.000 ! spec=HCHaro, no=53, id=4809, vol=6.820000e+06
assign (resid 61 and name HE1) (resid 60 and name HG2) 3.270 3.270 1.837 weight 1.000 ! spec=HCHaro, no=54, id=4810, vol=6.850000e+06
    or (resid   61 and name  HE1) (resid   60 and name  HG1)
    or (resid   61 and name  HE2) (resid   60 and name  HG2)
    or (resid   61 and name  HE2) (resid   60 and name  HG1)
assign (resid 120 and name HE3) (resid 24 and name HA) 3.268 3.268 1.835 weight 1.000 ! spec=HCHaro, no=55, id=4811, vol=6.870000e+06
assign (resid 18 and name HD1) (resid 123 and name HG1) 3.262 3.262 1.83 weight 1.000 ! spec=HCHaro, no=59, id=4815, vol=6.950000e+06
    or (resid   18 and name  HD2) (resid  123 and name  HG1)
assign (resid 64 and name HD1) (resid 64 and name HB1) 3.260 3.260 1.828 weight 1.000 ! spec=HCHaro, no=60, id=4816, vol=6.980000e+06
    or (resid   64 and name  HD2) (resid   64 and name  HB1)
assign (resid 79 and name HD1) (resid 84 and name HA) 3.258 3.258 1.827 weight 1.000 ! spec=HCHaro, no=61, id=4817, vol=7.000000e+06
assign (resid 10 and name HD1) (resid 7 and name HG2) 3.251 3.251 1.821 weight 1.000 ! spec=HCHaro, no=66, id=4822, vol=7.090000e+06
assign (resid 13 and name HD2) (resid 52 and name HD1) 3.251 3.251 1.821 weight 1.000 ! spec=HCHaro, no=68, id=4824, vol=7.090000e+06
    or (resid   13 and name  HD2) (resid   52 and name  HD2)
assign (resid 119 and name HD1) (resid 64 and name HE1) 3.250 3.250 1.821 weight 1.000 ! spec=HCHaro, no=69, id=4825, vol=7.100000e+06
    or (resid  119 and name  HD1) (resid   64 and name  HE2)
assign (resid 111 and name HD1) (resid 92 and name HG12) 3.247 3.247 1.818 weight 1.000 ! spec=HCHaro, no=71, id=4827, vol=7.150000e+06
    or (resid  111 and name  HD2) (resid   92 and name HG12)
assign (resid 77 and name HH2) (resid 111 and name HD1) 3.247 3.247 1.818 weight 1.000 ! spec=HCHaro, no=72, id=4828, vol=7.150000e+06
    or (resid   77 and name  HH2) (resid  111 and name  HD2)
assign (resid 65 and name HH2) (resid 112 and name HB1) 3.246 3.246 1.817 weight 1.000 ! spec=HCHaro, no=73, id=4829, vol=7.160000e+06
assign (resid 65 and name HD1) (resid 120 and name HA) 3.244 3.244 1.816 weight 1.000 ! spec=HCHaro, no=74, id=4830, vol=7.180000e+06
assign (resid 70 and name HE1) (resid 75 and name HA) 3.238 3.238 1.81 weight 1.000 ! spec=HCHaro, no=77, id=4833, vol=7.270000e+06
    or (resid   70 and name  HE2) (resid   75 and name   HA)
assign (resid 77 and name HD1) (resid 76 and name HA) 3.237 3.237 1.81 weight 1.000 ! spec=HCHaro, no=78, id=4834, vol=7.280000e+06
assign (resid 77 and name HD1) (resid 92 and name HG22) 3.237 3.237 1.81 weight 1.000 ! spec=HCHaro, no=79, id=4835, vol=7.280000e+06
    or (resid   77 and name  HD1) (resid   92 and name HG21)
    or (resid   77 and name  HD1) (resid   92 and name HG23)
assign (resid 70 and name HE1) (resid 75 and name HB2) 3.234 3.234 1.807 weight 1.000 ! spec=HCHaro, no=81, id=4837, vol=7.320000e+06
    or (resid   70 and name  HE2) (resid   75 and name  HB2)
assign (resid 64 and name HD1) (resid 121 and name HD12) 3.233 3.233 1.807 weight 1.000 ! spec=HCHaro, no=82, id=4838, vol=7.330000e+06
    or (resid   64 and name  HD1) (resid  121 and name HD11)
    or (resid   64 and name  HD1) (resid  121 and name HD13)
    or (resid   64 and name  HD2) (resid  121 and name HD12)
    or (resid   64 and name  HD2) (resid  121 and name HD11)
    or (resid   64 and name  HD2) (resid  121 and name HD13)
assign (resid 64 and name HB2) (resid 64 and name HE1) 3.232 3.232 1.806 weight 1.000 ! spec=HCHaro, no=84, id=4840, vol=7.350000e+06
    or (resid   64 and name  HB2) (resid   64 and name  HE2)
assign (resid 128 and name HD2) (resid 128 and name HA) 3.221 3.221 1.797 weight 1.000 ! spec=HCHaro, no=86, id=4842, vol=7.500000e+06
assign (resid 44 and name HN) (resid 79 and name HZ3) 3.219 3.219 1.795 weight 1.000 ! spec=HCHaro, no=88, id=4844, vol=7.530000e+06
assign (resid 27 and name HZ3) (resid 28 and name HB2) 3.210 3.210 1.788 weight 1.000 ! spec=HCHaro, no=92, id=4848, vol=7.650000e+06
assign (resid 79 and name HD1) (resid 78 and name HA) 3.204 3.204 1.783 weight 1.000 ! spec=HCHaro, no=95, id=4851, vol=7.740000e+06
assign (resid 111 and name HE1) (resid 92 and name HG22) 3.201 3.201 1.781 weight 1.000 ! spec=HCHaro, no=96, id=4852, vol=7.780000e+06
    or (resid  111 and name  HE1) (resid   92 and name HG21)
    or (resid  111 and name  HE1) (resid   92 and name HG23)
    or (resid  111 and name  HE2) (resid   92 and name HG22)
    or (resid  111 and name  HE2) (resid   92 and name HG21)
    or (resid  111 and name  HE2) (resid   92 and name HG23)
assign (resid 18 and name HZ) (resid 16 and name HD1) 3.200 3.200 1.78 weight 1.000 ! spec=HCHaro, no=101, id=4857, vol=7.800000e+06
assign (resid 127 and name HD1) (resid 126 and name HB1) 3.199 3.199 1.779 weight 1.000 ! spec=HCHaro, no=103, id=4859, vol=7.810000e+06
    or (resid  127 and name  HD2) (resid  126 and name  HB1)
assign (resid 70 and name HD1) (resid 100 and name HB1) 3.191 3.191 1.773 weight 1.000 ! spec=HCHaro, no=106, id=4862, vol=7.930000e+06
    or (resid   70 and name  HD2) (resid  100 and name  HB1)
assign (resid 127 and name HD1) (resid 4 and name HN) 3.183 3.183 1.767 weight 1.000 ! spec=HCHaro, no=111, id=4867, vol=8.050000e+06
    or (resid  127 and name  HD2) (resid    4 and name   HN)
assign (resid 127 and name HE1) (resid 126 and name HD22) 3.178 3.178 1.762 weight 1.000 ! spec=HCHaro, no=113, id=4869, vol=8.130000e+06
    or (resid  127 and name  HE1) (resid  126 and name HD21)
    or (resid  127 and name  HE1) (resid  126 and name HD23)
    or (resid  127 and name  HE2) (resid  126 and name HD22)
    or (resid  127 and name  HE2) (resid  126 and name HD21)
    or (resid  127 and name  HE2) (resid  126 and name HD23)
assign (resid 41 and name HD22) (resid 27 and name HZ2) 3.175 3.175 1.76 weight 1.000 ! spec=HCHaro, no=114, id=4870, vol=8.170000e+06
    or (resid   41 and name HD21) (resid   27 and name  HZ2)
    or (resid   41 and name HD23) (resid   27 and name  HZ2)
assign (resid 70 and name HE1) (resid 75 and name HB1) 3.170 3.170 1.756 weight 1.000 ! spec=HCHaro, no=117, id=4873, vol=8.250000e+06
    or (resid   70 and name  HE2) (resid   75 and name  HB1)
assign (resid 120 and name HD1) (resid 120 and name HB2) 3.169 3.169 1.755 weight 1.000 ! spec=HCHaro, no=118, id=4874, vol=8.270000e+06
assign (resid 121 and name HN) (resid 120 and name HD1) 3.162 3.162 1.75 weight 1.000 ! spec=HCHaro, no=122, id=4878, vol=8.380000e+06
assign (resid 127 and name HE1) (resid 4 and name HG) 3.160 3.160 1.748 weight 1.000 ! spec=HCHaro, no=123, id=4879, vol=8.410000e+06
    or (resid  127 and name  HE2) (resid    4 and name   HG)
assign (resid 77 and name HE3) (resid 77 and name HB1) 3.157 3.157 1.746 weight 1.000 ! spec=HCHaro, no=124, id=4880, vol=8.450000e+06
assign (resid 27 and name HE3) (resid 28 and name HN) 3.145 3.145 1.737 weight 1.000 ! spec=HCHaro, no=128, id=4883, vol=8.650000e+06
assign (resid 127 and name HE1) (resid 15 and name HA) 3.132 3.132 1.726 weight 1.000 ! spec=HCHaro, no=131, id=4886, vol=8.870000e+06
    or (resid  127 and name  HE2) (resid   15 and name   HA)
assign (resid 65 and name HA) (resid 27 and name HD1) 3.125 3.125 1.721 weight 1.000 ! spec=HCHaro, no=132, id=4887, vol=8.990000e+06
assign (resid 79 and name HH2) (resid 43 and name HA) 3.124 3.124 1.72 weight 1.000 ! spec=HCHaro, no=133, id=4888, vol=9.010000e+06
assign (resid 76 and name HD21) (resid 77 and name HD1) 3.120 3.120 1.717 weight 1.000 ! spec=HCHaro, no=134, id=4889, vol=9.080000e+06
assign (resid 127 and name HE1) (resid 3 and name HA) 3.119 3.119 1.716 weight 1.000 ! spec=HCHaro, no=135, id=4890, vol=9.090000e+06
    or (resid  127 and name  HE2) (resid    3 and name   HA)
assign (resid 61 and name HD1) (resid 60 and name HB1) 3.109 3.109 1.708 weight 1.000 ! spec=HCHaro, no=138, id=4893, vol=9.270000e+06
    or (resid   61 and name  HD2) (resid   60 and name  HB1)
assign (resid 10 and name HA) (resid 10 and name HD1) 3.106 3.106 1.706 weight 1.000 ! spec=HCHaro, no=140, id=4895, vol=9.320000e+06
assign (resid 44 and name HG12) (resid 79 and name HZ3) 3.106 3.106 1.706 weight 1.000 ! spec=HCHaro, no=141, id=4896, vol=9.320000e+06
assign (resid 13 and name HE1) (resid 14 and name HD2) 3.104 3.104 1.704 weight 1.000 ! spec=HCHaro, no=142, id=4897, vol=9.370000e+06
    or (resid   13 and name  HE1) (resid   14 and name  HD1)
assign (resid 127 and name HD1) (resid 126 and name HB2) 3.101 3.101 1.702 weight 1.000 ! spec=HCHaro, no=144, id=4899, vol=9.410000e+06
    or (resid  127 and name  HD2) (resid  126 and name  HB2)
assign (resid 111 and name HB1) (resid 77 and name HH2) 3.094 3.094 1.697 weight 1.000 ! spec=HCHaro, no=150, id=4905, vol=9.540000e+06
assign (resid 61 and name HE1) (resid 61 and name HA) 3.092 3.092 1.695 weight 1.000 ! spec=HCHaro, no=151, id=4906, vol=9.590000e+06
    or (resid   61 and name  HE2) (resid   61 and name   HA)
assign (resid 66 and name HN) (resid 27 and name HD1) 3.088 3.088 1.692 weight 1.000 ! spec=HCHaro, no=154, id=4909, vol=9.650000e+06
assign (resid 85 and name HD22) (resid 77 and name HD1) 3.086 3.086 1.69 weight 1.000 ! spec=HCHaro, no=155, id=4910, vol=9.700000e+06
    or (resid   85 and name HD21) (resid   77 and name  HD1)
    or (resid   85 and name HD23) (resid   77 and name  HD1)
assign (resid 44 and name HN) (resid 79 and name HE3) 3.078 3.078 1.684 weight 1.000 ! spec=HCHaro, no=157, id=4912, vol=9.850000e+06
assign (resid 127 and name HE1) (resid 4 and name HD12) 3.076 3.076 1.683 weight 1.000 ! spec=HCHaro, no=158, id=4913, vol=9.880000e+06
    or (resid  127 and name  HE1) (resid    4 and name HD11)
    or (resid  127 and name  HE1) (resid    4 and name HD13)
    or (resid  127 and name  HE2) (resid    4 and name HD12)
    or (resid  127 and name  HE2) (resid    4 and name HD11)
    or (resid  127 and name  HE2) (resid    4 and name HD13)
assign (resid 122 and name HB1) (resid 10 and name HH2) 3.076 3.076 1.683 weight 1.000 ! spec=HCHaro, no=159, id=4914, vol=9.890000e+06
assign (resid 120 and name HE3) (resid 25 and name HB2) 3.074 3.074 1.681 weight 1.000 ! spec=HCHaro, no=161, id=4916, vol=9.920000e+06
assign (resid 10 and name HZ2) (resid 37 and name HB1) 3.070 3.070 1.678 weight 1.000 ! spec=HCHaro, no=164, id=4919, vol=1.000000e+07
assign (resid 70 and name HE1) (resid 96 and name HG21) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=166, id=4921, vol=1.020000e+07
    or (resid   70 and name  HE1) (resid   96 and name HG22)
    or (resid   70 and name  HE1) (resid   96 and name HG23)
    or (resid   70 and name  HE2) (resid   96 and name HG21)
    or (resid   70 and name  HE2) (resid   96 and name HG22)
    or (resid   70 and name  HE2) (resid   96 and name HG23)
assign (resid 23 and name HG22) (resid 120 and name HZ3) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=167, id=4922, vol=1.020000e+07
    or (resid   23 and name HG21) (resid  120 and name  HZ3)
    or (resid   23 and name HG23) (resid  120 and name  HZ3)
assign (resid 61 and name HE1) (resid 59 and name HA) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=168, id=4923, vol=1.020000e+07
    or (resid   61 and name  HE2) (resid   59 and name   HA)
assign (resid 65 and name HD1) (resid 65 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HCHaro, no=171, id=4926, vol=1.040000e+07
assign (resid 37 and name HE2) (resid 19 and name HE1) 3.036 3.036 1.652 weight 1.000 ! spec=HCHaro, no=177, id=4932, vol=1.070000e+07
    or (resid   37 and name  HE1) (resid   19 and name  HE1)
assign (resid 27 and name HE1) (resid 27 and name HZ2) 3.026 3.026 1.645 weight 1.000 ! spec=HCHaro, no=180, id=4935, vol=1.090000e+07
assign (resid 79 and name HD1) (resid 43 and name HD12) 3.004 3.004 1.628 weight 1.000 ! spec=HCHaro, no=184, id=4939, vol=1.140000e+07
    or (resid   79 and name  HD1) (resid   43 and name HD11)
    or (resid   79 and name  HD1) (resid   43 and name HD13)
assign (resid 7 and name HB2) (resid 10 and name HD1) 2.995 2.995 1.621 weight 1.000 ! spec=HCHaro, no=185, id=4940, vol=1.160000e+07
assign (resid 77 and name HD1) (resid 77 and name HB1) 2.995 2.995 1.621 weight 1.000 ! spec=HCHaro, no=186, id=4941, vol=1.160000e+07
assign (resid 111 and name HB2) (resid 77 and name HH2) 2.991 2.991 1.618 weight 1.000 ! spec=HCHaro, no=187, id=4942, vol=1.170000e+07
assign (resid 49 and name HA) (resid 13 and name HE1) 2.982 2.982 1.612 weight 1.000 ! spec=HCHaro, no=190, id=4945, vol=1.190000e+07
assign (resid 20 and name HG12) (resid 64 and name HZ) 2.978 2.978 1.609 weight 1.000 ! spec=HCHaro, no=192, id=4947, vol=1.200000e+07
    or (resid   20 and name HG11) (resid   64 and name   HZ)
    or (resid   20 and name HG13) (resid   64 and name   HZ)
assign (resid 52 and name HZ) (resid 11 and name HB2) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=193, id=4948, vol=1.220000e+07
    or (resid   52 and name   HZ) (resid   11 and name  HB1)
assign (resid 79 and name HE3) (resid 43 and name HA) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=196, id=4951, vol=1.220000e+07
assign (resid 61 and name HB2) (resid 61 and name HE1) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=197, id=4952, vol=1.220000e+07
    or (resid   61 and name  HB2) (resid   61 and name  HE2)
assign (resid 120 and name HE3) (resid 120 and name HB2) 2.966 2.966 1.6 weight 1.000 ! spec=HCHaro, no=199, id=4954, vol=1.230000e+07
assign (resid 62 and name HB2) (resid 64 and name HZ) 2.958 2.958 1.594 weight 1.000 ! spec=HCHaro, no=203, id=4958, vol=1.250000e+07
    or (resid   62 and name  HB1) (resid   64 and name   HZ)
assign (resid 77 and name HZ2) (resid 92 and name HG22) 2.946 2.946 1.585 weight 1.000 ! spec=HCHaro, no=206, id=4961, vol=1.280000e+07
    or (resid   77 and name  HZ2) (resid   92 and name HG21)
    or (resid   77 and name  HZ2) (resid   92 and name HG23)
assign (resid 120 and name HB1) (resid 65 and name HD1) 2.946 2.946 1.585 weight 1.000 ! spec=HCHaro, no=208, id=4963, vol=1.280000e+07
assign (resid 13 and name HE1) (resid 49 and name HG2) 2.943 2.943 1.582 weight 1.000 ! spec=HCHaro, no=211, id=4966, vol=1.290000e+07
assign (resid 52 and name HZ) (resid 52 and name HD1) 2.935 2.935 1.577 weight 1.000 ! spec=HCHaro, no=214, id=4969, vol=1.310000e+07
    or (resid   52 and name   HZ) (resid   52 and name  HD2)
assign (resid 70 and name HA) (resid 70 and name HD1) 2.931 2.931 1.574 weight 1.000 ! spec=HCHaro, no=215, id=4970, vol=1.320000e+07
    or (resid   70 and name   HA) (resid   70 and name  HD2)
assign (resid 27 and name HD1) (resid 65 and name HB1) 2.917 2.917 1.563 weight 1.000 ! spec=HCHaro, no=217, id=4972, vol=1.360000e+07
assign (resid 101 and name HB1) (resid 27 and name HD1) 2.913 2.913 1.561 weight 1.000 ! spec=HCHaro, no=219, id=4974, vol=1.370000e+07
assign (resid 10 and name HD1) (resid 10 and name HB2) 2.892 2.892 1.546 weight 1.000 ! spec=HCHaro, no=226, id=4980, vol=1.430000e+07
assign (resid 102 and name HB2) (resid 77 and name HZ3) 2.889 2.889 1.543 weight 1.000 ! spec=HCHaro, no=230, id=4984, vol=1.440000e+07
    or (resid  102 and name  HB1) (resid   77 and name  HZ3)
    or (resid  102 and name  HB3) (resid   77 and name  HZ3)
assign (resid 79 and name HD1) (resid 79 and name HB1) 2.882 2.882 1.539 weight 1.000 ! spec=HCHaro, no=231, id=4985, vol=1.460000e+07
assign (resid 116 and name HB2) (resid 65 and name HH2) 2.873 2.873 1.532 weight 1.000 ! spec=HCHaro, no=233, id=4986, vol=1.490000e+07
assign (resid 37 and name HB2) (resid 10 and name HZ2) 2.860 2.860 1.522 weight 1.000 ! spec=HCHaro, no=236, id=4988, vol=1.530000e+07
assign (resid 79 and name HD1) (resid 79 and name HB2) 2.857 2.857 1.52 weight 1.000 ! spec=HCHaro, no=237, id=4989, vol=1.540000e+07
assign (resid 27 and name HE3) (resid 28 and name HA) 2.854 2.854 1.518 weight 1.000 ! spec=HCHaro, no=239, id=4991, vol=1.550000e+07
assign (resid 120 and name HD1) (resid 120 and name HB1) 2.848 2.848 1.514 weight 1.000 ! spec=HCHaro, no=240, id=4992, vol=1.570000e+07
assign (resid 33 and name HB2) (resid 120 and name HZ2) 2.842 2.842 1.509 weight 1.000 ! spec=HCHaro, no=245, id=4997, vol=1.590000e+07
assign (resid 27 and name HD1) (resid 65 and name HE3) 2.842 2.842 1.509 weight 1.000 ! spec=HCHaro, no=246, id=4998, vol=1.590000e+07
assign (resid 128 and name HD2) (resid 128 and name HB1) 2.839 2.839 1.507 weight 1.000 ! spec=HCHaro, no=247, id=4999, vol=1.600000e+07
assign (resid 33 and name HB1) (resid 120 and name HZ2) 2.819 2.819 1.493 weight 1.000 ! spec=HCHaro, no=250, id=5002, vol=1.670000e+07
assign (resid 44 and name HB) (resid 79 and name HZ3) 2.807 2.807 1.485 weight 1.000 ! spec=HCHaro, no=252, id=5004, vol=1.710000e+07
assign (resid 18 and name HZ) (resid 42 and name HE2) 2.805 2.805 1.483 weight 1.000 ! spec=HCHaro, no=254, id=5005, vol=1.720000e+07
    or (resid   18 and name   HZ) (resid   42 and name  HE1)
    or (resid   18 and name   HZ) (resid   42 and name  HE3)
assign (resid 83 and name HB1) (resid 79 and name HD1) 2.784 2.784 1.469 weight 1.000 ! spec=HCHaro, no=257, id=5008, vol=1.800000e+07
assign (resid 77 and name HD1) (resid 77 and name HB2) 2.773 2.773 1.461 weight 1.000 ! spec=HCHaro, no=258, id=5009, vol=1.840000e+07
assign (resid 120 and name HB2) (resid 65 and name HD1) 2.763 2.763 1.455 weight 1.000 ! spec=HCHaro, no=260, id=5011, vol=1.880000e+07
assign (resid 120 and name HE3) (resid 65 and name HD1) 2.756 2.756 1.45 weight 1.000 ! spec=HCHaro, no=262, id=5013, vol=1.910000e+07
assign (resid 127 and name HN) (resid 127 and name HD1) 2.756 2.756 1.45 weight 1.000 ! spec=HCHaro, no=263, id=5014, vol=1.910000e+07
    or (resid  127 and name   HN) (resid  127 and name  HD2)
assign (resid 70 and name HB2) (resid 70 and name HD1) 2.751 2.751 1.446 weight 1.000 ! spec=HCHaro, no=264, id=5015, vol=1.930000e+07
    or (resid   70 and name  HB2) (resid   70 and name  HD2)
assign (resid 65 and name HB2) (resid 27 and name HD1) 2.737 2.737 1.437 weight 1.000 ! spec=HCHaro, no=267, id=5018, vol=1.990000e+07
assign (resid 7 and name HB1) (resid 10 and name HD1) 2.698 2.698 1.41 weight 1.000 ! spec=HCHaro, no=276, id=5027, vol=2.170000e+07
assign (resid 37 and name HD1) (resid 10 and name HZ2) 2.696 2.696 1.409 weight 1.000 ! spec=HCHaro, no=277, id=5028, vol=2.180000e+07
assign (resid 61 and name HN) (resid 61 and name HD1) 2.682 2.682 1.399 weight 1.000 ! spec=HCHaro, no=278, id=5029, vol=2.250000e+07
    or (resid   61 and name   HN) (resid   61 and name  HD2)
assign (resid 127 and name HE1) (resid 15 and name HB2) 2.663 2.663 1.386 weight 1.000 ! spec=HCHaro, no=284, id=5034, vol=2.350000e+07
    or (resid  127 and name  HE2) (resid   15 and name  HB2)
assign (resid 61 and name HD1) (resid 61 and name HA) 2.644 2.644 1.374 weight 1.000 ! spec=HCHaro, no=286, id=5036, vol=2.450000e+07
    or (resid   61 and name  HD2) (resid   61 and name   HA)
assign (resid 27 and name HE1) (resid 27 and name HD1) 2.644 2.644 1.374 weight 1.000 ! spec=HCHaro, no=287, id=5037, vol=2.450000e+07
assign (resid 80 and name HG22) (resid 27 and name HZ2) 2.618 2.618 1.357 weight 1.000 ! spec=HCHaro, no=290, id=5040, vol=2.600000e+07
    or (resid   80 and name HG21) (resid   27 and name  HZ2)
    or (resid   80 and name HG23) (resid   27 and name  HZ2)
assign (resid 120 and name HZ3) (resid 120 and name HE3) 2.615 2.615 1.355 weight 1.000 ! spec=HCHaro, no=291, id=5041, vol=2.620000e+07
assign (resid 44 and name HD12) (resid 79 and name HZ3) 2.542 2.542 1.308 weight 1.000 ! spec=HCHaro, no=295, id=5045, vol=3.100000e+07
    or (resid   44 and name HD11) (resid   79 and name  HZ3)
    or (resid   44 and name HD13) (resid   79 and name  HZ3)
assign (resid 127 and name HA) (resid 127 and name HD1) 2.470 2.470 1.262 weight 1.000 ! spec=HCHaro, no=300, id=5050, vol=3.690000e+07
    or (resid  127 and name   HA) (resid  127 and name  HD2)
assign (resid 61 and name HB2) (resid 61 and name HD1) 2.331 2.331 1.179 weight 1.000 ! spec=HCHaro, no=309, id=5059, vol=5.220000e+07
    or (resid   61 and name  HB2) (resid   61 and name  HD2)
assign (resid 137 and name HD1) (resid 137 and name HE1) 2.235 2.235 1.124 weight 1.000 ! spec=HCHaro, no=313, id=5063, vol=6.720000e+07
    or (resid  137 and name  HD1) (resid  137 and name  HE2)
    or (resid  137 and name  HD2) (resid  137 and name  HE1)
    or (resid  137 and name  HD2) (resid  137 and name  HE2)
assign (resid 70 and name HD1) (resid 70 and name HE1) 2.200 2.200 1.105 weight 1.000 ! spec=HCHaro, no=315, id=5065, vol=7.380000e+07
    or (resid   70 and name  HD1) (resid   70 and name  HE2)
    or (resid   70 and name  HD2) (resid   70 and name  HE1)
    or (resid   70 and name  HD2) (resid   70 and name  HE2)
assign (resid 127 and name HD1) (resid 15 and name HB2) 2.115 2.115 1.059 weight 1.000 ! spec=HCHaro, no=323, id=5071, vol=9.350000e+07
    or (resid  127 and name  HD2) (resid   15 and name  HB2)
assign (resid 16 and name HN) (resid 13 and name HN) 2.107 2.107 1.055 weight 1.000 ! spec=HCHaro, no=324, id=5072, vol=9.570000e+07
assign (resid 27 and name HH2) (resid 27 and name HZ2) 1.924 1.924 0.963 weight 1.000 ! spec=HCHaro, no=337, id=5085, vol=1.650000e+08
assign (resid 52 and name HE1) (resid 18 and name HD1) 1.778 1.778 0.895 weight 1.000 ! spec=HCHaro, no=344, id=5092, vol=2.650000e+08
    or (resid   52 and name  HE1) (resid   18 and name  HD2)
    or (resid   52 and name  HE2) (resid   18 and name  HD1)
    or (resid   52 and name  HE2) (resid   18 and name  HD2)
assign (resid 61 and name HD1) (resid 61 and name HE1) 1.612 1.612 0.825 weight 1.000 ! spec=HCHaro, no=355, id=5103, vol=4.770000e+08
    or (resid   61 and name  HD1) (resid   61 and name  HE2)
    or (resid   61 and name  HD2) (resid   61 and name  HE1)
    or (resid   61 and name  HD2) (resid   61 and name  HE2)
assign (resid 127 and name HE1) (resid 127 and name HD1) 1.557 1.557 0.803 weight 1.000 ! spec=HCHaro, no=358, id=5106, vol=5.880000e+08
    or (resid  127 and name  HE1) (resid  127 and name  HD2)
    or (resid  127 and name  HE2) (resid  127 and name  HD1)
    or (resid  127 and name  HE2) (resid  127 and name  HD2)
assign (resid 43 and name HN) (resid 66 and name HG22) 3.400 3.400 1.945 weight 1.000 ! spec=HNH, no=3, id=0, vol=8.600000e+06
    or (resid   43 and name   HN) (resid   66 and name HG21)
    or (resid   43 and name   HN) (resid   66 and name HG23)
assign (resid 88 and name HN) (resid 90 and name HN) 3.399 3.399 1.944 weight 1.000 ! spec=HNH, no=4, id=1, vol=8.610000e+06
assign (resid 98 and name HD21) (resid 98 and name HA) 3.399 3.399 1.944 weight 1.000 ! spec=HNH, no=5, id=2, vol=8.610000e+06
assign (resid 86 and name HN) (resid 86 and name HB1) 3.398 3.398 1.943 weight 1.000 ! spec=HNH, no=6, id=3, vol=8.640000e+06
assign (resid 17 and name HN) (resid 124 and name HA) 3.397 3.397 1.942 weight 1.000 ! spec=HNH, no=7, id=4, vol=8.650000e+06
assign (resid 11 and name HN) (resid 17 and name HA) 3.395 3.395 1.941 weight 1.000 ! spec=HNH, no=10, id=7, vol=8.680000e+06
assign (resid 108 and name HN) (resid 106 and name HN) 3.395 3.395 1.941 weight 1.000 ! spec=HNH, no=11, id=8, vol=8.680000e+06
assign (resid 119 and name HN) (resid 24 and name HB1) 3.395 3.395 1.94 weight 1.000 ! spec=HNH, no=13, id=10, vol=8.680000e+06
assign (resid 65 and name HN) (resid 64 and name HB2) 3.392 3.392 1.938 weight 1.000 ! spec=HNH, no=15, id=12, vol=8.720000e+06
assign (resid 28 and name HN) (resid 114 and name HA) 3.389 3.389 1.936 weight 1.000 ! spec=HNH, no=18, id=15, vol=8.770000e+06
assign (resid 10 and name HE1) (resid 7 and name HG1) 3.389 3.389 1.935 weight 1.000 ! spec=HNH, no=19, id=16, vol=8.770000e+06
assign (resid 27 and name HN) (resid 114 and name HA) 3.388 3.388 1.935 weight 1.000 ! spec=HNH, no=21, id=18, vol=8.790000e+06
assign (resid 120 and name HE1) (resid 30 and name HA2) 3.388 3.388 1.935 weight 1.000 ! spec=HNH, no=22, id=19, vol=8.790000e+06
assign (resid 107 and name HN) (resid 108 and name HD2) 3.387 3.387 1.934 weight 1.000 ! spec=HNH, no=24, id=21, vol=8.810000e+06
    or (resid  107 and name   HN) (resid  108 and name  HD1)
assign (resid 21 and name HN) (resid 20 and name HN) 3.386 3.386 1.933 weight 1.000 ! spec=HNH, no=25, id=22, vol=8.810000e+06
assign (resid 120 and name HN) (resid 64 and name HB1) 3.386 3.386 1.933 weight 1.000 ! spec=HNH, no=28, id=25, vol=8.820000e+06
assign (resid 35 and name HN) (resid 33 and name HN) 3.385 3.385 1.933 weight 1.000 ! spec=HNH, no=29, id=26, vol=8.820000e+06
assign (resid 57 and name HN) (resid 55 and name HN) 3.384 3.384 1.932 weight 1.000 ! spec=HNH, no=31, id=28, vol=8.840000e+06
assign (resid 25 and name HD21) (resid 25 and name HA) 3.384 3.384 1.931 weight 1.000 ! spec=HNH, no=32, id=29, vol=8.850000e+06
assign (resid 82 and name HN) (resid 83 and name HB1) 3.382 3.382 1.929 weight 1.000 ! spec=HNH, no=34, id=31, vol=8.880000e+06
assign (resid 62 and name HD21) (resid 59 and name HB1) 3.382 3.382 1.929 weight 1.000 ! spec=HNH, no=35, id=32, vol=8.890000e+06
assign (resid 100 and name HN) (resid 101 and name HN) 3.380 3.380 1.928 weight 1.000 ! spec=HNH, no=37, id=34, vol=8.900000e+06
assign (resid 63 and name HN) (resid 62 and name HD21) 3.379 3.379 1.927 weight 1.000 ! spec=HNH, no=39, id=36, vol=8.920000e+06
assign (resid 77 and name HE1) (resid 92 and name HB) 3.377 3.377 1.926 weight 1.000 ! spec=HNH, no=44, id=41, vol=8.950000e+06
assign (resid 11 and name HN) (resid 19 and name HA) 3.377 3.377 1.926 weight 1.000 ! spec=HNH, no=45, id=42, vol=8.950000e+06
assign (resid 51 and name HN) (resid 51 and name HD1) 3.377 3.377 1.925 weight 1.000 ! spec=HNH, no=46, id=43, vol=8.970000e+06
assign (resid 119 and name HE) (resid 119 and name HD1) 3.376 3.376 1.924 weight 1.000 ! spec=HNH, no=47, id=44, vol=8.980000e+06
assign (resid 30 and name HN) (resid 28 and name HN) 3.374 3.374 1.923 weight 1.000 ! spec=HNH, no=48, id=45, vol=9.010000e+06
assign (resid 78 and name HN) (resid 77 and name HE3) 3.374 3.374 1.923 weight 1.000 ! spec=HNH, no=49, id=46, vol=9.010000e+06
assign (resid 52 and name HN) (resid 51 and name HD1) 3.373 3.373 1.922 weight 1.000 ! spec=HNH, no=52, id=49, vol=9.020000e+06
assign (resid 30 and name HN) (resid 29 and name HG2) 3.373 3.373 1.922 weight 1.000 ! spec=HNH, no=53, id=50, vol=9.020000e+06
assign (resid 47 and name HE21) (resid 89 and name HB) 3.372 3.372 1.922 weight 1.000 ! spec=HNH, no=55, id=52, vol=9.030000e+06
assign (resid 78 and name HN) (resid 79 and name HN) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=59, id=56, vol=9.060000e+06
assign (resid 47 and name HN) (resid 89 and name HG22) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=60, id=57, vol=9.070000e+06
    or (resid   47 and name   HN) (resid   89 and name HG21)
    or (resid   47 and name   HN) (resid   89 and name HG23)
assign (resid 22 and name HN) (resid 22 and name HA) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=61, id=58, vol=9.070000e+06
assign (resid 89 and name HN) (resid 86 and name HB2) 3.370 3.370 1.919 weight 1.000 ! spec=HNH, no=63, id=60, vol=9.070000e+06
assign (resid 65 and name HN) (resid 41 and name HD12) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=64, id=61, vol=9.080000e+06
    or (resid   65 and name   HN) (resid   41 and name HD11)
    or (resid   65 and name   HN) (resid   41 and name HD13)
assign (resid 27 and name HE1) (resid 101 and name HB2) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=65, id=62, vol=9.080000e+06
assign (resid 63 and name HN) (resid 64 and name HN) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=66, id=63, vol=9.080000e+06
assign (resid 11 and name HN) (resid 52 and name HE1) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=69, id=66, vol=9.100000e+06
    or (resid   11 and name   HN) (resid   52 and name  HE2)
assign (resid 17 and name HN) (resid 123 and name HG1) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=70, id=67, vol=9.100000e+06
assign (resid 119 and name HN) (resid 62 and name HB2) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=71, id=68, vol=9.110000e+06
    or (resid  119 and name   HN) (resid   62 and name  HB1)
assign (resid 61 and name HN) (resid 61 and name HE1) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=74, id=71, vol=9.150000e+06
    or (resid   61 and name   HN) (resid   61 and name  HE2)
assign (resid 79 and name HE1) (resid 68 and name HD22) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=76, id=73, vol=9.160000e+06
    or (resid   79 and name  HE1) (resid   68 and name HD21)
    or (resid   79 and name  HE1) (resid   68 and name HD23)
assign (resid 120 and name HN) (resid 24 and name HA) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=77, id=74, vol=9.160000e+06
assign (resid 93 and name HN) (resid 92 and name HG11) 3.364 3.364 1.915 weight 1.000 ! spec=HNH, no=78, id=75, vol=9.160000e+06
assign (resid 85 and name HN) (resid 83 and name HB1) 3.364 3.364 1.915 weight 1.000 ! spec=HNH, no=79, id=76, vol=9.170000e+06
assign (resid 27 and name HE1) (resid 101 and name HB1) 3.364 3.364 1.914 weight 1.000 ! spec=HNH, no=80, id=77, vol=9.170000e+06
assign (resid 40 and name HN) (resid 124 and name HA) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=81, id=78, vol=9.180000e+06
assign (resid 30 and name HN) (resid 41 and name HD12) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=82, id=79, vol=9.190000e+06
    or (resid   30 and name   HN) (resid   41 and name HD11)
    or (resid   30 and name   HN) (resid   41 and name HD13)
assign (resid 81 and name HN) (resid 83 and name HN) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=83, id=80, vol=9.190000e+06
assign (resid 42 and name HN) (resid 41 and name HD22) 3.362 3.362 1.913 weight 1.000 ! spec=HNH, no=84, id=81, vol=9.200000e+06
    or (resid   42 and name   HN) (resid   41 and name HD21)
    or (resid   42 and name   HN) (resid   41 and name HD23)
assign (resid 79 and name HE1) (resid 85 and name HB2) 3.358 3.358 1.909 weight 1.000 ! spec=HNH, no=91, id=88, vol=9.270000e+06
assign (resid 101 and name HN) (resid 114 and name HA) 3.357 3.357 1.909 weight 1.000 ! spec=HNH, no=92, id=89, vol=9.280000e+06
assign (resid 33 and name HN) (resid 36 and name HN) 3.356 3.356 1.907 weight 1.000 ! spec=HNH, no=95, id=92, vol=9.310000e+06
assign (resid 118 and name HD21) (resid 112 and name HG2) 3.355 3.355 1.907 weight 1.000 ! spec=HNH, no=97, id=94, vol=9.320000e+06
assign (resid 139 and name HN) (resid 136 and name HA1) 3.348 3.348 1.901 weight 1.000 ! spec=HNH, no=101, id=98, vol=9.440000e+06
assign (resid 41 and name HN) (resid 80 and name HG12) 3.348 3.348 1.901 weight 1.000 ! spec=HNH, no=102, id=99, vol=9.440000e+06
assign (resid 37 and name HN) (resid 33 and name HA) 3.346 3.346 1.9 weight 1.000 ! spec=HNH, no=104, id=101, vol=9.470000e+06
assign (resid 29 and name HN) (resid 26 and name HN) 3.343 3.343 1.897 weight 1.000 ! spec=HNH, no=109, id=106, vol=9.520000e+06
assign (resid 36 and name HN) (resid 37 and name HD2) 3.343 3.343 1.897 weight 1.000 ! spec=HNH, no=110, id=107, vol=9.520000e+06
assign (resid 26 and name HN) (resid 25 and name HD21) 3.340 3.340 1.895 weight 1.000 ! spec=HNH, no=112, id=109, vol=9.560000e+06
assign (resid 112 and name HN) (resid 100 and name HB2) 3.340 3.340 1.895 weight 1.000 ! spec=HNH, no=113, id=110, vol=9.560000e+06
assign (resid 118 and name HD22) (resid 112 and name HG2) 3.340 3.340 1.894 weight 1.000 ! spec=HNH, no=114, id=111, vol=9.570000e+06
assign (resid 66 and name HN) (resid 66 and name HB) 3.338 3.338 1.893 weight 1.000 ! spec=HNH, no=117, id=114, vol=9.600000e+06
assign (resid 6 and name HN) (resid 7 and name HD2) 3.338 3.338 1.893 weight 1.000 ! spec=HNH, no=119, id=116, vol=9.610000e+06
assign (resid 79 and name HE1) (resid 86 and name HN) 3.337 3.337 1.892 weight 1.000 ! spec=HNH, no=120, id=117, vol=9.610000e+06
assign (resid 14 and name HN) (resid 14 and name HG2) 3.336 3.336 1.891 weight 1.000 ! spec=HNH, no=123, id=120, vol=9.640000e+06
assign (resid 127 and name HN) (resid 4 and name HD12) 3.336 3.336 1.891 weight 1.000 ! spec=HNH, no=124, id=121, vol=9.640000e+06
    or (resid  127 and name   HN) (resid    4 and name HD11)
    or (resid  127 and name   HN) (resid    4 and name HD13)
assign (resid 70 and name HN) (resid 77 and name HZ3) 3.334 3.334 1.89 weight 1.000 ! spec=HNH, no=127, id=124, vol=9.670000e+06
assign (resid 102 and name HN) (resid 68 and name HB1) 3.334 3.334 1.889 weight 1.000 ! spec=HNH, no=128, id=125, vol=9.670000e+06
assign (resid 20 and name HN) (resid 19 and name HB2) 3.333 3.333 1.888 weight 1.000 ! spec=HNH, no=129, id=126, vol=9.690000e+06
assign (resid 86 and name HD21) (resid 88 and name HB2) 3.332 3.332 1.888 weight 1.000 ! spec=HNH, no=130, id=127, vol=9.700000e+06
    or (resid   86 and name HD21) (resid   88 and name  HB1)
assign (resid 43 and name HN) (resid 123 and name HE22) 3.332 3.332 1.888 weight 1.000 ! spec=HNH, no=131, id=128, vol=9.710000e+06
assign (resid 85 and name HN) (resid 77 and name HB1) 3.330 3.330 1.886 weight 1.000 ! spec=HNH, no=132, id=129, vol=9.750000e+06
assign (resid 69 and name HN) (resid 68 and name HD12) 3.329 3.329 1.885 weight 1.000 ! spec=HNH, no=134, id=131, vol=9.770000e+06
    or (resid   69 and name   HN) (resid   68 and name HD11)
    or (resid   69 and name   HN) (resid   68 and name HD13)
assign (resid 79 and name HE1) (resid 85 and name HG) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=136, id=133, vol=9.780000e+06
assign (resid 39 and name HN) (resid 37 and name HB2) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=137, id=134, vol=9.780000e+06
assign (resid 29 and name HN) (resid 26 and name HB) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=138, id=135, vol=9.780000e+06
assign (resid 122 and name HN) (resid 121 and name HB) 3.327 3.327 1.883 weight 1.000 ! spec=HNH, no=139, id=136, vol=9.800000e+06
assign (resid 124 and name HN) (resid 18 and name HD1) 3.326 3.326 1.882 weight 1.000 ! spec=HNH, no=140, id=137, vol=9.820000e+06
    or (resid  124 and name   HN) (resid   18 and name  HD2)
assign (resid 17 and name HN) (resid 18 and name HN) 3.326 3.326 1.882 weight 1.000 ! spec=HNH, no=141, id=138, vol=9.820000e+06
assign (resid 122 and name HN) (resid 19 and name HB1) 3.325 3.325 1.882 weight 1.000 ! spec=HNH, no=143, id=140, vol=9.830000e+06
assign (resid 70 and name HN) (resid 101 and name HA) 3.324 3.324 1.881 weight 1.000 ! spec=HNH, no=147, id=144, vol=9.850000e+06
assign (resid 65 and name HN) (resid 120 and name HN) 3.324 3.324 1.881 weight 1.000 ! spec=HNH, no=148, id=145, vol=9.860000e+06
assign (resid 32 and name HN) (resid 29 and name HN) 3.320 3.320 1.878 weight 1.000 ! spec=HNH, no=153, id=150, vol=9.920000e+06
assign (resid 28 and name HN) (resid 31 and name HN) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=154, id=151, vol=9.930000e+06
assign (resid 83 and name HN) (resid 43 and name HD12) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=155, id=152, vol=9.930000e+06
    or (resid   83 and name   HN) (resid   43 and name HD11)
    or (resid   83 and name   HN) (resid   43 and name HD13)
assign (resid 68 and name HN) (resid 68 and name HD12) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=156, id=153, vol=9.940000e+06
    or (resid   68 and name   HN) (resid   68 and name HD11)
    or (resid   68 and name   HN) (resid   68 and name HD13)
assign (resid 61 and name HN) (resid 62 and name HB2) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=157, id=154, vol=9.940000e+06
    or (resid   61 and name   HN) (resid   62 and name  HB1)
assign (resid 77 and name HN) (resid 85 and name HB2) 3.318 3.318 1.877 weight 1.000 ! spec=HNH, no=158, id=155, vol=9.950000e+06
assign (resid 54 and name HN) (resid 53 and name HD22) 3.317 3.317 1.875 weight 1.000 ! spec=HNH, no=159, id=156, vol=9.980000e+06
    or (resid   54 and name   HN) (resid   53 and name HD21)
    or (resid   54 and name   HN) (resid   53 and name HD23)
assign (resid 64 and name HN) (resid 105 and name HA) 3.315 3.315 1.873 weight 1.000 ! spec=HNH, no=161, id=158, vol=1.000000e+07
assign (resid 139 and name HN) (resid 137 and name HB2) 3.313 3.313 1.872 weight 1.000 ! spec=HNH, no=165, id=162, vol=1.010000e+07
assign (resid 110 and name HN) (resid 109 and name HN) 3.310 3.310 1.869 weight 1.000 ! spec=HNH, no=171, id=168, vol=1.010000e+07
assign (resid 19 and name HN) (resid 121 and name HA) 3.309 3.309 1.869 weight 1.000 ! spec=HNH, no=172, id=169, vol=1.010000e+07
assign (resid 119 and name HE) (resid 119 and name HD2) 3.309 3.309 1.869 weight 1.000 ! spec=HNH, no=173, id=170, vol=1.010000e+07
assign (resid 59 and name HN) (resid 58 and name HG1) 3.308 3.308 1.868 weight 1.000 ! spec=HNH, no=175, id=172, vol=1.010000e+07
assign (resid 85 and name HN) (resid 84 and name HN) 3.307 3.307 1.867 weight 1.000 ! spec=HNH, no=177, id=174, vol=1.020000e+07
assign (resid 123 and name HN) (resid 42 and name HN) 3.307 3.307 1.867 weight 1.000 ! spec=HNH, no=178, id=175, vol=1.020000e+07
assign (resid 27 and name HE1) (resid 65 and name HE3) 3.305 3.305 1.865 weight 1.000 ! spec=HNH, no=181, id=178, vol=1.020000e+07
assign (resid 127 and name HN) (resid 15 and name HA) 3.304 3.304 1.865 weight 1.000 ! spec=HNH, no=182, id=179, vol=1.020000e+07
assign (resid 14 and name HN) (resid 14 and name HB2) 3.303 3.303 1.863 weight 1.000 ! spec=HNH, no=184, id=181, vol=1.020000e+07
    or (resid   14 and name   HN) (resid   14 and name  HB1)
assign (resid 71 and name HN) (resid 72 and name HN) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=185, id=182, vol=1.020000e+07
assign (resid 123 and name HE21) (resid 16 and name HE1) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=186, id=183, vol=1.020000e+07
assign (resid 40 and name HN) (resid 34 and name HB2) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=187, id=184, vol=1.030000e+07
assign (resid 38 and name HN) (resid 37 and name HB2) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=188, id=185, vol=1.030000e+07
assign (resid 25 and name HN) (resid 24 and name HN) 3.299 3.299 1.86 weight 1.000 ! spec=HNH, no=191, id=188, vol=1.030000e+07
assign (resid 67 and name HN) (resid 68 and name HN) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=192, id=189, vol=1.030000e+07
assign (resid 9 and name HN) (resid 10 and name HD1) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=193, id=190, vol=1.030000e+07
assign (resid 56 and name HN) (resid 11 and name HD22) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=194, id=191, vol=1.030000e+07
    or (resid   56 and name   HN) (resid   11 and name HD21)
    or (resid   56 and name   HN) (resid   11 and name HD23)
assign (resid 62 and name HN) (resid 59 and name HB1) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=195, id=192, vol=1.030000e+07
assign (resid 106 and name HN) (resid 105 and name HN) 3.298 3.298 1.859 weight 1.000 ! spec=HNH, no=196, id=193, vol=1.030000e+07
assign (resid 69 and name HE) (resid 69 and name HD2) 3.297 3.297 1.859 weight 1.000 ! spec=HNH, no=197, id=194, vol=1.030000e+07
assign (resid 35 and name HN) (resid 32 and name HG22) 3.292 3.292 1.855 weight 1.000 ! spec=HNH, no=204, id=201, vol=1.040000e+07
    or (resid   35 and name   HN) (resid   32 and name HG21)
    or (resid   35 and name   HN) (resid   32 and name HG23)
assign (resid 86 and name HN) (resid 86 and name HB2) 3.289 3.289 1.852 weight 1.000 ! spec=HNH, no=205, id=202, vol=1.050000e+07
assign (resid 135 and name HN) (resid 134 and name HB2) 3.287 3.287 1.85 weight 1.000 ! spec=HNH, no=208, id=205, vol=1.050000e+07
    or (resid  135 and name   HN) (resid  134 and name  HB1)
assign (resid 78 and name HN) (resid 71 and name HG21) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=209, id=206, vol=1.050000e+07
    or (resid   78 and name   HN) (resid   71 and name HG22)
    or (resid   78 and name   HN) (resid   71 and name HG23)
assign (resid 65 and name HN) (resid 103 and name HB2) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=210, id=207, vol=1.050000e+07
    or (resid   65 and name   HN) (resid  103 and name  HB1)
    or (resid   65 and name   HN) (resid  103 and name  HB3)
assign (resid 122 and name HN) (resid 121 and name HD12) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=212, id=209, vol=1.060000e+07
    or (resid  122 and name   HN) (resid  121 and name HD11)
    or (resid  122 and name   HN) (resid  121 and name HD13)
assign (resid 119 and name HE) (resid 22 and name HA) 3.284 3.284 1.848 weight 1.000 ! spec=HNH, no=214, id=211, vol=1.060000e+07
assign (resid 27 and name HN) (resid 28 and name HG1) 3.282 3.282 1.846 weight 1.000 ! spec=HNH, no=216, id=213, vol=1.060000e+07
assign (resid 71 and name HN) (resid 70 and name HB1) 3.280 3.280 1.845 weight 1.000 ! spec=HNH, no=218, id=215, vol=1.070000e+07
assign (resid 62 and name HD22) (resid 59 and name HB2) 3.277 3.277 1.842 weight 1.000 ! spec=HNH, no=224, id=220, vol=1.070000e+07
assign (resid 12 and name HN) (resid 13 and name HN) 3.276 3.276 1.841 weight 1.000 ! spec=HNH, no=226, id=222, vol=1.080000e+07
assign (resid 71 and name HN) (resid 70 and name HB2) 3.275 3.275 1.841 weight 1.000 ! spec=HNH, no=227, id=223, vol=1.080000e+07
assign (resid 69 and name HE) (resid 69 and name HD1) 3.275 3.275 1.841 weight 1.000 ! spec=HNH, no=228, id=224, vol=1.080000e+07
assign (resid 41 and name HN) (resid 34 and name HB2) 3.272 3.272 1.838 weight 1.000 ! spec=HNH, no=230, id=226, vol=1.080000e+07
assign (resid 53 and name HN) (resid 56 and name HN) 3.272 3.272 1.838 weight 1.000 ! spec=HNH, no=231, id=227, vol=1.080000e+07
assign (resid 121 and name HN) (resid 64 and name HB1) 3.270 3.270 1.837 weight 1.000 ! spec=HNH, no=232, id=228, vol=1.090000e+07
assign (resid 77 and name HN) (resid 85 and name HD22) 3.268 3.268 1.835 weight 1.000 ! spec=HNH, no=234, id=230, vol=1.090000e+07
    or (resid   77 and name   HN) (resid   85 and name HD21)
    or (resid   77 and name   HN) (resid   85 and name HD23)
assign (resid 79 and name HE1) (resid 85 and name HB1) 3.268 3.268 1.835 weight 1.000 ! spec=HNH, no=235, id=231, vol=1.090000e+07
assign (resid 103 and name HN) (resid 111 and name HB1) 3.264 3.264 1.832 weight 1.000 ! spec=HNH, no=240, id=236, vol=1.100000e+07
assign (resid 120 and name HE1) (resid 33 and name HN) 3.264 3.264 1.832 weight 1.000 ! spec=HNH, no=241, id=237, vol=1.100000e+07
assign (resid 81 and name HD22) (resid 83 and name HB1) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=242, id=238, vol=1.100000e+07
assign (resid 12 and name HN) (resid 11 and name HN) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=243, id=239, vol=1.100000e+07
assign (resid 123 and name HE22) (resid 16 and name HB1) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=244, id=240, vol=1.100000e+07
assign (resid 119 and name HN) (resid 119 and name HD1) 3.262 3.262 1.83 weight 1.000 ! spec=HNH, no=245, id=241, vol=1.100000e+07
assign (resid 27 and name HN) (resid 114 and name HB2) 3.260 3.260 1.829 weight 1.000 ! spec=HNH, no=248, id=244, vol=1.110000e+07
assign (resid 28 and name HN) (resid 26 and name HA) 3.260 3.260 1.828 weight 1.000 ! spec=HNH, no=249, id=245, vol=1.110000e+07
assign (resid 19 and name HN) (resid 10 and name HH2) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=251, id=247, vol=1.110000e+07
assign (resid 5 and name HN) (resid 6 and name HN) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=252, id=248, vol=1.110000e+07
assign (resid 103 and name HN) (resid 102 and name HN) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=253, id=249, vol=1.110000e+07
assign (resid 25 and name HD21) (resid 29 and name HG2) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=254, id=250, vol=1.110000e+07
assign (resid 118 and name HN) (resid 117 and name HN) 3.259 3.259 1.827 weight 1.000 ! spec=HNH, no=255, id=251, vol=1.110000e+07
assign (resid 41 and name HN) (resid 34 and name HB1) 3.257 3.257 1.826 weight 1.000 ! spec=HNH, no=257, id=253, vol=1.110000e+07
assign (resid 65 and name HE1) (resid 25 and name HN) 3.255 3.255 1.824 weight 1.000 ! spec=HNH, no=261, id=257, vol=1.120000e+07
assign (resid 22 and name HN) (resid 22 and name HG1) 3.254 3.254 1.824 weight 1.000 ! spec=HNH, no=263, id=259, vol=1.120000e+07
assign (resid 48 and name HN) (resid 51 and name HN) 3.254 3.254 1.823 weight 1.000 ! spec=HNH, no=264, id=260, vol=1.120000e+07
assign (resid 63 and name HN) (resid 62 and name HN) 3.253 3.253 1.823 weight 1.000 ! spec=HNH, no=265, id=261, vol=1.120000e+07
assign (resid 88 and name HN) (resid 89 and name HG12) 3.251 3.251 1.821 weight 1.000 ! spec=HNH, no=266, id=262, vol=1.130000e+07
    or (resid   88 and name   HN) (resid   89 and name HG11)
    or (resid   88 and name   HN) (resid   89 and name HG13)
assign (resid 124 and name HN) (resid 16 and name HA) 3.249 3.249 1.82 weight 1.000 ! spec=HNH, no=267, id=263, vol=1.130000e+07
assign (resid 37 and name HN) (resid 38 and name HA1) 3.248 3.248 1.819 weight 1.000 ! spec=HNH, no=268, id=264, vol=1.130000e+07
assign (resid 16 and name HN) (resid 126 and name HD12) 3.247 3.247 1.818 weight 1.000 ! spec=HNH, no=270, id=266, vol=1.130000e+07
    or (resid   16 and name   HN) (resid  126 and name HD11)
    or (resid   16 and name   HN) (resid  126 and name HD13)
assign (resid 82 and name HN) (resid 83 and name HA) 3.246 3.246 1.817 weight 1.000 ! spec=HNH, no=271, id=267, vol=1.130000e+07
assign (resid 48 and name HN) (resid 50 and name HN) 3.245 3.245 1.817 weight 1.000 ! spec=HNH, no=272, id=268, vol=1.140000e+07
assign (resid 89 and name HN) (resid 90 and name HG) 3.244 3.244 1.815 weight 1.000 ! spec=HNH, no=278, id=274, vol=1.140000e+07
assign (resid 14 and name HN) (resid 14 and name HG1) 3.243 3.243 1.815 weight 1.000 ! spec=HNH, no=279, id=275, vol=1.140000e+07
assign (resid 25 and name HN) (resid 117 and name HB2) 3.240 3.240 1.812 weight 1.000 ! spec=HNH, no=284, id=280, vol=1.150000e+07
    or (resid   25 and name   HN) (resid  117 and name  HB1)
assign (resid 35 and name HN) (resid 39 and name HN) 3.240 3.240 1.812 weight 1.000 ! spec=HNH, no=285, id=281, vol=1.150000e+07
assign (resid 69 and name HN) (resid 101 and name HA) 3.238 3.238 1.811 weight 1.000 ! spec=HNH, no=288, id=284, vol=1.150000e+07
assign (resid 6 and name HN) (resid 12 and name HB2) 3.237 3.237 1.809 weight 1.000 ! spec=HNH, no=291, id=287, vol=1.160000e+07
    or (resid    6 and name   HN) (resid   12 and name  HB1)
assign (resid 40 and name HN) (resid 122 and name HA) 3.236 3.236 1.809 weight 1.000 ! spec=HNH, no=292, id=288, vol=1.160000e+07
assign (resid 47 and name HE21) (resid 47 and name HA) 3.236 3.236 1.809 weight 1.000 ! spec=HNH, no=294, id=290, vol=1.160000e+07
assign (resid 104 and name HN) (resid 65 and name HA) 3.235 3.235 1.809 weight 1.000 ! spec=HNH, no=296, id=292, vol=1.160000e+07
assign (resid 119 and name HE) (resid 119 and name HG1) 3.235 3.235 1.808 weight 1.000 ! spec=HNH, no=297, id=293, vol=1.160000e+07
assign (resid 10 and name HE1) (resid 7 and name HB2) 3.231 3.231 1.805 weight 1.000 ! spec=HNH, no=300, id=296, vol=1.170000e+07
assign (resid 29 and name HN) (resid 31 and name HN) 3.230 3.230 1.804 weight 1.000 ! spec=HNH, no=301, id=297, vol=1.170000e+07
assign (resid 120 and name HE1) (resid 41 and name HD12) 3.229 3.229 1.803 weight 1.000 ! spec=HNH, no=303, id=299, vol=1.170000e+07
    or (resid  120 and name  HE1) (resid   41 and name HD11)
    or (resid  120 and name  HE1) (resid   41 and name HD13)
assign (resid 135 and name HN) (resid 135 and name HA) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=304, id=300, vol=1.180000e+07
assign (resid 70 and name HN) (resid 70 and name HA) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=305, id=301, vol=1.180000e+07
assign (resid 53 and name HN) (resid 50 and name HN) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=306, id=302, vol=1.180000e+07
assign (resid 41 and name HN) (resid 31 and name HA) 3.224 3.224 1.8 weight 1.000 ! spec=HNH, no=311, id=307, vol=1.180000e+07
assign (resid 88 and name HN) (resid 87 and name HB1) 3.224 3.224 1.799 weight 1.000 ! spec=HNH, no=312, id=308, vol=1.180000e+07
assign (resid 114 and name HN) (resid 101 and name HB2) 3.220 3.220 1.796 weight 1.000 ! spec=HNH, no=313, id=309, vol=1.190000e+07
assign (resid 100 and name HN) (resid 70 and name HD1) 3.220 3.220 1.796 weight 1.000 ! spec=HNH, no=314, id=310, vol=1.190000e+07
    or (resid  100 and name   HN) (resid   70 and name  HD2)
assign (resid 56 and name HN) (resid 54 and name HN) 3.219 3.219 1.796 weight 1.000 ! spec=HNH, no=316, id=312, vol=1.190000e+07
assign (resid 10 and name HE1) (resid 37 and name HD1) 3.218 3.218 1.794 weight 1.000 ! spec=HNH, no=317, id=313, vol=1.200000e+07
assign (resid 83 and name HN) (resid 79 and name HN) 3.217 3.217 1.794 weight 1.000 ! spec=HNH, no=320, id=316, vol=1.200000e+07
assign (resid 124 and name HN) (resid 125 and name HN) 3.217 3.217 1.793 weight 1.000 ! spec=HNH, no=322, id=318, vol=1.200000e+07
assign (resid 128 and name HN) (resid 127 and name HA) 3.216 3.216 1.793 weight 1.000 ! spec=HNH, no=324, id=320, vol=1.200000e+07
assign (resid 59 and name HN) (resid 58 and name HD2) 3.215 3.215 1.792 weight 1.000 ! spec=HNH, no=329, id=325, vol=1.200000e+07
    or (resid   59 and name   HN) (resid   58 and name  HD1)
assign (resid 121 and name HN) (resid 66 and name HG22) 3.215 3.215 1.792 weight 1.000 ! spec=HNH, no=330, id=326, vol=1.200000e+07
    or (resid  121 and name   HN) (resid   66 and name HG21)
    or (resid  121 and name   HN) (resid   66 and name HG23)
assign (resid 120 and name HE1) (resid 30 and name HA1) 3.214 3.214 1.791 weight 1.000 ! spec=HNH, no=332, id=328, vol=1.210000e+07
assign (resid 65 and name HN) (resid 118 and name HB2) 3.213 3.213 1.79 weight 1.000 ! spec=HNH, no=333, id=329, vol=1.210000e+07
assign (resid 120 and name HE1) (resid 21 and name HB1) 3.210 3.210 1.788 weight 1.000 ! spec=HNH, no=336, id=332, vol=1.210000e+07
assign (resid 112 and name HN) (resid 111 and name HD1) 3.210 3.210 1.788 weight 1.000 ! spec=HNH, no=337, id=333, vol=1.220000e+07
    or (resid  112 and name   HN) (resid  111 and name  HD2)
assign (resid 35 and name HN) (resid 37 and name HN) 3.209 3.209 1.788 weight 1.000 ! spec=HNH, no=338, id=334, vol=1.220000e+07
assign (resid 24 and name HN) (resid 120 and name HZ3) 3.208 3.208 1.787 weight 1.000 ! spec=HNH, no=340, id=336, vol=1.220000e+07
assign (resid 52 and name HN) (resid 53 and name HB2) 3.208 3.208 1.787 weight 1.000 ! spec=HNH, no=341, id=337, vol=1.220000e+07
assign (resid 22 and name HN) (resid 22 and name HB1) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=342, id=338, vol=1.220000e+07
assign (resid 118 and name HD22) (resid 103 and name HB2) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=343, id=339, vol=1.220000e+07
    or (resid  118 and name HD22) (resid  103 and name  HB1)
    or (resid  118 and name HD22) (resid  103 and name  HB3)
assign (resid 79 and name HN) (resid 79 and name HA) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=345, id=341, vol=1.220000e+07
assign (resid 85 and name HN) (resid 77 and name HB2) 3.206 3.206 1.785 weight 1.000 ! spec=HNH, no=346, id=342, vol=1.220000e+07
assign (resid 120 and name HN) (resid 119 and name HG2) 3.201 3.201 1.781 weight 1.000 ! spec=HNH, no=353, id=349, vol=1.240000e+07
assign (resid 101 and name HN) (resid 113 and name HN) 3.201 3.201 1.781 weight 1.000 ! spec=HNH, no=355, id=351, vol=1.240000e+07
assign (resid 108 and name HN) (resid 110 and name HG21) 3.198 3.198 1.778 weight 1.000 ! spec=HNH, no=357, id=353, vol=1.240000e+07
    or (resid  108 and name   HN) (resid  110 and name HG22)
    or (resid  108 and name   HN) (resid  110 and name HG23)
assign (resid 129 and name HN) (resid 129 and name HA) 3.198 3.198 1.778 weight 1.000 ! spec=HNH, no=358, id=354, vol=1.240000e+07
assign (resid 28 and name HN) (resid 26 and name HG21) 3.195 3.195 1.776 weight 1.000 ! spec=HNH, no=364, id=360, vol=1.250000e+07
    or (resid   28 and name   HN) (resid   26 and name HG22)
    or (resid   28 and name   HN) (resid   26 and name HG23)
assign (resid 79 and name HN) (resid 84 and name HA) 3.192 3.192 1.774 weight 1.000 ! spec=HNH, no=366, id=362, vol=1.250000e+07
assign (resid 17 and name HN) (resid 123 and name HA) 3.191 3.191 1.773 weight 1.000 ! spec=HNH, no=370, id=366, vol=1.260000e+07
assign (resid 37 and name HN) (resid 35 and name HA) 3.191 3.191 1.773 weight 1.000 ! spec=HNH, no=371, id=367, vol=1.260000e+07
assign (resid 6 and name HN) (resid 7 and name HD1) 3.190 3.190 1.772 weight 1.000 ! spec=HNH, no=372, id=368, vol=1.260000e+07
assign (resid 19 and name HN) (resid 122 and name HB2) 3.189 3.189 1.771 weight 1.000 ! spec=HNH, no=373, id=369, vol=1.260000e+07
assign (resid 122 and name HN) (resid 18 and name HA) 3.189 3.189 1.771 weight 1.000 ! spec=HNH, no=374, id=370, vol=1.260000e+07
assign (resid 92 and name HN) (resid 92 and name HD12) 3.188 3.188 1.77 weight 1.000 ! spec=HNH, no=378, id=374, vol=1.270000e+07
    or (resid   92 and name   HN) (resid   92 and name HD11)
    or (resid   92 and name   HN) (resid   92 and name HD13)
assign (resid 59 and name HN) (resid 57 and name HA) 3.187 3.187 1.77 weight 1.000 ! spec=HNH, no=379, id=375, vol=1.270000e+07
assign (resid 110 and name HN) (resid 102 and name HB2) 3.186 3.186 1.769 weight 1.000 ! spec=HNH, no=382, id=378, vol=1.270000e+07
    or (resid  110 and name   HN) (resid  102 and name  HB1)
    or (resid  110 and name   HN) (resid  102 and name  HB3)
assign (resid 120 and name HN) (resid 120 and name HE3) 3.185 3.185 1.768 weight 1.000 ! spec=HNH, no=383, id=379, vol=1.270000e+07
assign (resid 25 and name HN) (resid 119 and name HA) 3.185 3.185 1.768 weight 1.000 ! spec=HNH, no=384, id=380, vol=1.270000e+07
assign (resid 69 and name HN) (resid 68 and name HB1) 3.184 3.184 1.767 weight 1.000 ! spec=HNH, no=385, id=381, vol=1.270000e+07
assign (resid 119 and name HE) (resid 62 and name HA) 3.183 3.183 1.766 weight 1.000 ! spec=HNH, no=386, id=382, vol=1.280000e+07
assign (resid 113 and name HN) (resid 114 and name HN) 3.182 3.182 1.766 weight 1.000 ! spec=HNH, no=387, id=383, vol=1.280000e+07
assign (resid 101 and name HN) (resid 111 and name HB2) 3.182 3.182 1.765 weight 1.000 ! spec=HNH, no=388, id=384, vol=1.280000e+07
assign (resid 48 and name HN) (resid 46 and name HA) 3.178 3.178 1.762 weight 1.000 ! spec=HNH, no=391, id=387, vol=1.290000e+07
assign (resid 62 and name HN) (resid 61 and name HB2) 3.177 3.177 1.762 weight 1.000 ! spec=HNH, no=394, id=390, vol=1.290000e+07
assign (resid 108 and name HN) (resid 107 and name HB1) 3.176 3.176 1.761 weight 1.000 ! spec=HNH, no=397, id=393, vol=1.290000e+07
assign (resid 68 and name HN) (resid 66 and name HD12) 3.175 3.175 1.76 weight 1.000 ! spec=HNH, no=398, id=394, vol=1.300000e+07
    or (resid   68 and name   HN) (resid   66 and name HD11)
    or (resid   68 and name   HN) (resid   66 and name HD13)
assign (resid 22 and name HE22) (resid 63 and name HN) 3.174 3.174 1.759 weight 1.000 ! spec=HNH, no=400, id=396, vol=1.300000e+07
assign (resid 65 and name HN) (resid 118 and name HB1) 3.172 3.172 1.758 weight 1.000 ! spec=HNH, no=401, id=397, vol=1.300000e+07
assign (resid 123 and name HN) (resid 123 and name HB1) 3.171 3.171 1.757 weight 1.000 ! spec=HNH, no=402, id=398, vol=1.310000e+07
assign (resid 121 and name HN) (resid 65 and name HN) 3.170 3.170 1.756 weight 1.000 ! spec=HNH, no=403, id=399, vol=1.310000e+07
assign (resid 65 and name HN) (resid 64 and name HB1) 3.170 3.170 1.756 weight 1.000 ! spec=HNH, no=404, id=400, vol=1.310000e+07
assign (resid 28 and name HN) (resid 29 and name HB2) 3.168 3.168 1.754 weight 1.000 ! spec=HNH, no=406, id=402, vol=1.320000e+07
    or (resid   28 and name   HN) (resid   29 and name  HB1)
assign (resid 62 and name HN) (resid 60 and name HA) 3.166 3.166 1.753 weight 1.000 ! spec=HNH, no=408, id=404, vol=1.320000e+07
assign (resid 109 and name HN) (resid 90 and name HB1) 3.164 3.164 1.752 weight 1.000 ! spec=HNH, no=410, id=406, vol=1.320000e+07
assign (resid 69 and name HE) (resid 69 and name HB1) 3.164 3.164 1.751 weight 1.000 ! spec=HNH, no=411, id=407, vol=1.330000e+07
assign (resid 85 and name HN) (resid 68 and name HD22) 3.162 3.162 1.75 weight 1.000 ! spec=HNH, no=412, id=408, vol=1.330000e+07
    or (resid   85 and name   HN) (resid   68 and name HD21)
    or (resid   85 and name   HN) (resid   68 and name HD23)
assign (resid 97 and name HN) (resid 96 and name HB) 3.161 3.161 1.749 weight 1.000 ! spec=HNH, no=413, id=409, vol=1.330000e+07
assign (resid 103 and name HN) (resid 109 and name HA) 3.158 3.158 1.747 weight 1.000 ! spec=HNH, no=415, id=411, vol=1.340000e+07
assign (resid 65 and name HE1) (resid 118 and name HB2) 3.158 3.158 1.746 weight 1.000 ! spec=HNH, no=416, id=412, vol=1.340000e+07
assign (resid 102 and name HN) (resid 66 and name HD12) 3.157 3.157 1.746 weight 1.000 ! spec=HNH, no=417, id=413, vol=1.340000e+07
    or (resid  102 and name   HN) (resid   66 and name HD11)
    or (resid  102 and name   HN) (resid   66 and name HD13)
assign (resid 25 and name HN) (resid 25 and name HB1) 3.156 3.156 1.745 weight 1.000 ! spec=HNH, no=418, id=414, vol=1.340000e+07
assign (resid 108 and name HN) (resid 107 and name HB2) 3.155 3.155 1.744 weight 1.000 ! spec=HNH, no=420, id=416, vol=1.350000e+07
assign (resid 25 and name HD22) (resid 29 and name HG2) 3.151 3.151 1.741 weight 1.000 ! spec=HNH, no=422, id=418, vol=1.360000e+07
assign (resid 93 and name HN) (resid 92 and name HN) 3.151 3.151 1.741 weight 1.000 ! spec=HNH, no=423, id=419, vol=1.360000e+07
assign (resid 122 and name HN) (resid 121 and name HG12) 3.150 3.150 1.74 weight 1.000 ! spec=HNH, no=424, id=420, vol=1.360000e+07
assign (resid 18 and name HN) (resid 12 and name HA) 3.149 3.149 1.74 weight 1.000 ! spec=HNH, no=425, id=421, vol=1.360000e+07
assign (resid 13 and name HN) (resid 18 and name HE1) 3.149 3.149 1.739 weight 1.000 ! spec=HNH, no=427, id=423, vol=1.360000e+07
    or (resid   13 and name   HN) (resid   18 and name  HE2)
assign (resid 86 and name HD22) (resid 88 and name HB2) 3.149 3.149 1.739 weight 1.000 ! spec=HNH, no=428, id=424, vol=1.360000e+07
    or (resid   86 and name HD22) (resid   88 and name  HB1)
assign (resid 120 and name HN) (resid 120 and name HB2) 3.146 3.146 1.737 weight 1.000 ! spec=HNH, no=430, id=426, vol=1.370000e+07
assign (resid 106 and name HN) (resid 104 and name HA) 3.146 3.146 1.737 weight 1.000 ! spec=HNH, no=431, id=427, vol=1.370000e+07
assign (resid 71 and name HN) (resid 70 and name HD1) 3.145 3.145 1.736 weight 1.000 ! spec=HNH, no=432, id=428, vol=1.370000e+07
    or (resid   71 and name   HN) (resid   70 and name  HD2)
assign (resid 82 and name HN) (resid 79 and name HB1) 3.144 3.144 1.736 weight 1.000 ! spec=HNH, no=433, id=429, vol=1.380000e+07
assign (resid 10 and name HN) (resid 11 and name HN) 3.144 3.144 1.735 weight 1.000 ! spec=HNH, no=434, id=430, vol=1.380000e+07
assign (resid 78 and name HN) (resid 77 and name HB2) 3.142 3.142 1.734 weight 1.000 ! spec=HNH, no=436, id=432, vol=1.380000e+07
assign (resid 122 and name HN) (resid 20 and name HA) 3.140 3.140 1.733 weight 1.000 ! spec=HNH, no=438, id=434, vol=1.390000e+07
assign (resid 53 and name HN) (resid 51 and name HB2) 3.139 3.139 1.732 weight 1.000 ! spec=HNH, no=439, id=435, vol=1.390000e+07
    or (resid   53 and name   HN) (resid   51 and name  HB1)
assign (resid 110 and name HN) (resid 109 and name HB) 3.137 3.137 1.73 weight 1.000 ! spec=HNH, no=441, id=436, vol=1.390000e+07
assign (resid 136 and name HN) (resid 135 and name HA) 3.136 3.136 1.73 weight 1.000 ! spec=HNH, no=443, id=438, vol=1.400000e+07
assign (resid 62 and name HD22) (resid 59 and name HB1) 3.136 3.136 1.729 weight 1.000 ! spec=HNH, no=444, id=439, vol=1.400000e+07
assign (resid 93 and name HN) (resid 92 and name HB) 3.136 3.136 1.729 weight 1.000 ! spec=HNH, no=445, id=440, vol=1.400000e+07
assign (resid 116 and name HN) (resid 112 and name HB2) 3.134 3.134 1.728 weight 1.000 ! spec=HNH, no=447, id=442, vol=1.400000e+07
assign (resid 38 and name HN) (resid 37 and name HB1) 3.133 3.133 1.727 weight 1.000 ! spec=HNH, no=448, id=443, vol=1.400000e+07
assign (resid 123 and name HE21) (resid 16 and name HB1) 3.131 3.131 1.725 weight 1.000 ! spec=HNH, no=451, id=446, vol=1.410000e+07
assign (resid 46 and name HN) (resid 50 and name HN) 3.129 3.129 1.724 weight 1.000 ! spec=HNH, no=452, id=447, vol=1.420000e+07
assign (resid 40 and name HN) (resid 39 and name HN) 3.129 3.129 1.724 weight 1.000 ! spec=HNH, no=453, id=448, vol=1.420000e+07
assign (resid 35 and name HN) (resid 36 and name HA1) 3.127 3.127 1.722 weight 1.000 ! spec=HNH, no=456, id=451, vol=1.420000e+07
assign (resid 40 and name HN) (resid 34 and name HB1) 3.126 3.126 1.721 weight 1.000 ! spec=HNH, no=459, id=454, vol=1.420000e+07
assign (resid 109 and name HN) (resid 110 and name HG21) 3.125 3.125 1.721 weight 1.000 ! spec=HNH, no=460, id=455, vol=1.430000e+07
    or (resid  109 and name   HN) (resid  110 and name HG22)
    or (resid  109 and name   HN) (resid  110 and name HG23)
assign (resid 49 and name HN) (resid 46 and name HB2) 3.125 3.125 1.72 weight 1.000 ! spec=HNH, no=461, id=456, vol=1.430000e+07
    or (resid   49 and name   HN) (resid   46 and name  HB1)
assign (resid 100 and name HN) (resid 70 and name HB1) 3.124 3.124 1.72 weight 1.000 ! spec=HNH, no=462, id=457, vol=1.430000e+07
assign (resid 51 and name HN) (resid 54 and name HD12) 3.123 3.123 1.719 weight 1.000 ! spec=HNH, no=464, id=459, vol=1.430000e+07
    or (resid   51 and name   HN) (resid   54 and name HD11)
    or (resid   51 and name   HN) (resid   54 and name HD13)
assign (resid 40 and name HN) (resid 40 and name HB) 3.121 3.121 1.718 weight 1.000 ! spec=HNH, no=467, id=462, vol=1.440000e+07
assign (resid 127 and name HN) (resid 125 and name HB2) 3.120 3.120 1.717 weight 1.000 ! spec=HNH, no=468, id=463, vol=1.440000e+07
assign (resid 104 and name HN) (resid 64 and name HB2) 3.120 3.120 1.717 weight 1.000 ! spec=HNH, no=469, id=464, vol=1.440000e+07
assign (resid 74 and name HN) (resid 72 and name HD22) 3.119 3.119 1.716 weight 1.000 ! spec=HNH, no=470, id=465, vol=1.440000e+07
    or (resid   74 and name   HN) (resid   72 and name HD21)
    or (resid   74 and name   HN) (resid   72 and name HD23)
assign (resid 118 and name HD21) (resid 103 and name HB2) 3.115 3.115 1.713 weight 1.000 ! spec=HNH, no=475, id=470, vol=1.450000e+07
    or (resid  118 and name HD21) (resid  103 and name  HB1)
    or (resid  118 and name HD21) (resid  103 and name  HB3)
assign (resid 36 and name HN) (resid 32 and name HA) 3.115 3.115 1.713 weight 1.000 ! spec=HNH, no=476, id=471, vol=1.460000e+07
assign (resid 57 and name HN) (resid 58 and name HN) 3.107 3.107 1.707 weight 1.000 ! spec=HNH, no=482, id=477, vol=1.480000e+07
assign (resid 106 and name HN) (resid 107 and name HN) 3.105 3.105 1.705 weight 1.000 ! spec=HNH, no=486, id=481, vol=1.480000e+07
assign (resid 62 and name HN) (resid 61 and name HB1) 3.103 3.103 1.704 weight 1.000 ! spec=HNH, no=487, id=482, vol=1.490000e+07
assign (resid 59 and name HN) (resid 59 and name HG2) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=488, id=483, vol=1.490000e+07
assign (resid 68 and name HN) (resid 68 and name HA) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=489, id=484, vol=1.490000e+07
assign (resid 23 and name HN) (resid 24 and name HN) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=490, id=485, vol=1.490000e+07
assign (resid 39 and name HN) (resid 37 and name HB1) 3.099 3.099 1.701 weight 1.000 ! spec=HNH, no=491, id=486, vol=1.500000e+07
assign (resid 65 and name HN) (resid 120 and name HB2) 3.099 3.099 1.7 weight 1.000 ! spec=HNH, no=492, id=487, vol=1.500000e+07
assign (resid 120 and name HN) (resid 21 and name HB2) 3.098 3.098 1.7 weight 1.000 ! spec=HNH, no=494, id=489, vol=1.500000e+07
assign (resid 32 and name HN) (resid 31 and name HA) 3.096 3.096 1.699 weight 1.000 ! spec=HNH, no=495, id=490, vol=1.510000e+07
assign (resid 61 and name HN) (resid 59 and name HA) 3.095 3.095 1.697 weight 1.000 ! spec=HNH, no=496, id=491, vol=1.510000e+07
assign (resid 36 and name HN) (resid 34 and name HA) 3.095 3.095 1.697 weight 1.000 ! spec=HNH, no=497, id=492, vol=1.510000e+07
assign (resid 107 and name HN) (resid 108 and name HG2) 3.094 3.094 1.697 weight 1.000 ! spec=HNH, no=498, id=493, vol=1.510000e+07
assign (resid 78 and name HN) (resid 77 and name HB1) 3.094 3.094 1.697 weight 1.000 ! spec=HNH, no=499, id=494, vol=1.510000e+07
assign (resid 9 and name HN) (resid 7 and name HA) 3.094 3.094 1.696 weight 1.000 ! spec=HNH, no=500, id=495, vol=1.520000e+07
assign (resid 75 and name HN) (resid 75 and name HB1) 3.093 3.093 1.696 weight 1.000 ! spec=HNH, no=501, id=496, vol=1.520000e+07
assign (resid 120 and name HE1) (resid 34 and name HN) 3.092 3.092 1.695 weight 1.000 ! spec=HNH, no=503, id=498, vol=1.520000e+07
assign (resid 69 and name HN) (resid 77 and name HE3) 3.090 3.090 1.694 weight 1.000 ! spec=HNH, no=506, id=501, vol=1.530000e+07
assign (resid 30 and name HN) (resid 27 and name HA) 3.088 3.088 1.692 weight 1.000 ! spec=HNH, no=508, id=503, vol=1.530000e+07
assign (resid 121 and name HN) (resid 121 and name HD12) 3.087 3.087 1.691 weight 1.000 ! spec=HNH, no=509, id=504, vol=1.540000e+07
    or (resid  121 and name   HN) (resid  121 and name HD11)
    or (resid  121 and name   HN) (resid  121 and name HD13)
assign (resid 48 and name HN) (resid 51 and name HB2) 3.087 3.087 1.691 weight 1.000 ! spec=HNH, no=510, id=505, vol=1.540000e+07
    or (resid   48 and name   HN) (resid   51 and name  HB1)
assign (resid 118 and name HN) (resid 25 and name HA) 3.086 3.086 1.69 weight 1.000 ! spec=HNH, no=511, id=506, vol=1.540000e+07
assign (resid 26 and name HN) (resid 29 and name HG1) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=512, id=507, vol=1.540000e+07
assign (resid 22 and name HN) (resid 22 and name HB2) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=513, id=508, vol=1.540000e+07
assign (resid 43 and name HN) (resid 42 and name HB2) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=515, id=510, vol=1.540000e+07
assign (resid 68 and name HN) (resid 67 and name HA1) 3.083 3.083 1.688 weight 1.000 ! spec=HNH, no=516, id=511, vol=1.550000e+07
assign (resid 50 and name HN) (resid 42 and name HE2) 3.082 3.082 1.688 weight 1.000 ! spec=HNH, no=517, id=512, vol=1.550000e+07
    or (resid   50 and name   HN) (resid   42 and name  HE1)
    or (resid   50 and name   HN) (resid   42 and name  HE3)
assign (resid 64 and name HN) (resid 64 and name HA) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=518, id=513, vol=1.550000e+07
assign (resid 109 and name HN) (resid 108 and name HG1) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=519, id=514, vol=1.550000e+07
assign (resid 49 and name HN) (resid 46 and name HN) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=520, id=515, vol=1.550000e+07
assign (resid 25 and name HD21) (resid 120 and name HH2) 3.081 3.081 1.686 weight 1.000 ! spec=HNH, no=521, id=516, vol=1.550000e+07
assign (resid 42 and name HN) (resid 66 and name HB) 3.079 3.079 1.685 weight 1.000 ! spec=HNH, no=522, id=517, vol=1.560000e+07
assign (resid 25 and name HD21) (resid 29 and name HB2) 3.074 3.074 1.682 weight 1.000 ! spec=HNH, no=524, id=519, vol=1.570000e+07
    or (resid   25 and name HD21) (resid   29 and name  HB1)
assign (resid 77 and name HE1) (resid 70 and name HD1) 3.073 3.073 1.681 weight 1.000 ! spec=HNH, no=525, id=520, vol=1.580000e+07
    or (resid   77 and name  HE1) (resid   70 and name  HD2)
assign (resid 27 and name HE1) (resid 41 and name HD12) 3.073 3.073 1.68 weight 1.000 ! spec=HNH, no=527, id=522, vol=1.580000e+07
    or (resid   27 and name  HE1) (resid   41 and name HD11)
    or (resid   27 and name  HE1) (resid   41 and name HD13)
assign (resid 79 and name HN) (resid 78 and name HB1) 3.071 3.071 1.679 weight 1.000 ! spec=HNH, no=529, id=524, vol=1.580000e+07
assign (resid 47 and name HE21) (resid 89 and name HG22) 3.070 3.070 1.678 weight 1.000 ! spec=HNH, no=530, id=525, vol=1.590000e+07
    or (resid   47 and name HE21) (resid   89 and name HG21)
    or (resid   47 and name HE21) (resid   89 and name HG23)
assign (resid 110 and name HN) (resid 110 and name HB) 3.069 3.069 1.678 weight 1.000 ! spec=HNH, no=531, id=526, vol=1.590000e+07
assign (resid 94 and name HN) (resid 93 and name HB) 3.065 3.065 1.674 weight 1.000 ! spec=HNH, no=534, id=529, vol=1.600000e+07
assign (resid 25 and name HD22) (resid 29 and name HB2) 3.064 3.064 1.674 weight 1.000 ! spec=HNH, no=535, id=530, vol=1.600000e+07
    or (resid   25 and name HD22) (resid   29 and name  HB1)
assign (resid 29 and name HN) (resid 28 and name HA) 3.064 3.064 1.674 weight 1.000 ! spec=HNH, no=536, id=531, vol=1.610000e+07
assign (resid 126 and name HN) (resid 125 and name HN) 3.063 3.063 1.673 weight 1.000 ! spec=HNH, no=537, id=532, vol=1.610000e+07
assign (resid 81 and name HD22) (resid 81 and name HB1) 3.062 3.062 1.672 weight 1.000 ! spec=HNH, no=539, id=534, vol=1.610000e+07
assign (resid 102 and name HN) (resid 27 and name HD1) 3.060 3.060 1.671 weight 1.000 ! spec=HNH, no=540, id=535, vol=1.620000e+07
assign (resid 19 and name HN) (resid 18 and name HD1) 3.059 3.059 1.67 weight 1.000 ! spec=HNH, no=543, id=538, vol=1.620000e+07
    or (resid   19 and name   HN) (resid   18 and name  HD2)
assign (resid 35 and name HN) (resid 34 and name HA) 3.057 3.057 1.668 weight 1.000 ! spec=HNH, no=545, id=540, vol=1.630000e+07
assign (resid 65 and name HE1) (resid 27 and name HA) 3.057 3.057 1.668 weight 1.000 ! spec=HNH, no=546, id=541, vol=1.630000e+07
assign (resid 65 and name HN) (resid 120 and name HB1) 3.056 3.056 1.668 weight 1.000 ! spec=HNH, no=547, id=542, vol=1.630000e+07
assign (resid 124 and name HN) (resid 17 and name HB1) 3.053 3.053 1.665 weight 1.000 ! spec=HNH, no=551, id=546, vol=1.640000e+07
assign (resid 116 and name HN) (resid 115 and name HB2) 3.052 3.052 1.665 weight 1.000 ! spec=HNH, no=552, id=547, vol=1.640000e+07
assign (resid 11 and name HN) (resid 18 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HNH, no=554, id=549, vol=1.650000e+07
assign (resid 123 and name HE22) (resid 16 and name HE1) 3.049 3.049 1.662 weight 1.000 ! spec=HNH, no=555, id=550, vol=1.650000e+07
assign (resid 114 and name HN) (resid 113 and name HB1) 3.047 3.047 1.66 weight 1.000 ! spec=HNH, no=558, id=553, vol=1.660000e+07
assign (resid 26 and name HN) (resid 29 and name HG2) 3.044 3.044 1.658 weight 1.000 ! spec=HNH, no=561, id=556, vol=1.670000e+07
assign (resid 27 and name HE1) (resid 67 and name HA2) 3.042 3.042 1.657 weight 1.000 ! spec=HNH, no=564, id=559, vol=1.680000e+07
assign (resid 19 and name HN) (resid 122 and name HB1) 3.037 3.037 1.653 weight 1.000 ! spec=HNH, no=566, id=561, vol=1.690000e+07
assign (resid 13 and name HN) (resid 17 and name HA) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=567, id=562, vol=1.700000e+07
assign (resid 123 and name HE21) (resid 43 and name HB2) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=568, id=563, vol=1.700000e+07
assign (resid 69 and name HN) (resid 79 and name HA) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=569, id=564, vol=1.700000e+07
assign (resid 98 and name HN) (resid 96 and name HG21) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=571, id=566, vol=1.700000e+07
    or (resid   98 and name   HN) (resid   96 and name HG22)
    or (resid   98 and name   HN) (resid   96 and name HG23)
assign (resid 86 and name HD22) (resid 89 and name HG12) 3.032 3.032 1.649 weight 1.000 ! spec=HNH, no=572, id=567, vol=1.710000e+07
    or (resid   86 and name HD22) (resid   89 and name HG11)
    or (resid   86 and name HD22) (resid   89 and name HG13)
assign (resid 123 and name HE22) (resid 43 and name HG) 3.031 3.031 1.649 weight 1.000 ! spec=HNH, no=574, id=569, vol=1.710000e+07
assign (resid 86 and name HD22) (resid 86 and name HB2) 3.030 3.030 1.648 weight 1.000 ! spec=HNH, no=576, id=571, vol=1.720000e+07
assign (resid 17 and name HN) (resid 125 and name HA) 3.027 3.027 1.646 weight 1.000 ! spec=HNH, no=578, id=573, vol=1.730000e+07
assign (resid 18 and name HN) (resid 17 and name HB1) 3.027 3.027 1.646 weight 1.000 ! spec=HNH, no=579, id=574, vol=1.730000e+07
assign (resid 78 and name HN) (resid 70 and name HA) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=580, id=575, vol=1.730000e+07
assign (resid 42 and name HN) (resid 42 and name HG2) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=581, id=576, vol=1.730000e+07
assign (resid 81 and name HD22) (resid 81 and name HB2) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=583, id=578, vol=1.730000e+07
assign (resid 68 and name HN) (resid 67 and name HA2) 3.026 3.026 1.645 weight 1.000 ! spec=HNH, no=584, id=579, vol=1.730000e+07
assign (resid 64 and name HN) (resid 64 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HNH, no=588, id=583, vol=1.730000e+07
assign (resid 10 and name HN) (resid 9 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HNH, no=589, id=584, vol=1.740000e+07
assign (resid 16 and name HN) (resid 15 and name HB2) 3.024 3.024 1.643 weight 1.000 ! spec=HNH, no=591, id=586, vol=1.740000e+07
assign (resid 82 and name HN) (resid 80 and name HA) 3.022 3.022 1.641 weight 1.000 ! spec=HNH, no=594, id=589, vol=1.750000e+07
assign (resid 65 and name HE1) (resid 117 and name HA) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=595, id=590, vol=1.750000e+07
assign (resid 100 and name HN) (resid 99 and name HB1) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=596, id=591, vol=1.750000e+07
assign (resid 102 and name HN) (resid 101 and name HB2) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=597, id=592, vol=1.750000e+07
assign (resid 25 and name HN) (resid 120 and name HE3) 3.020 3.020 1.64 weight 1.000 ! spec=HNH, no=599, id=594, vol=1.750000e+07
assign (resid 44 and name HN) (resid 44 and name HB) 3.019 3.019 1.64 weight 1.000 ! spec=HNH, no=600, id=595, vol=1.750000e+07
assign (resid 134 and name HN) (resid 135 and name HN) 3.019 3.019 1.639 weight 1.000 ! spec=HNH, no=601, id=596, vol=1.760000e+07
assign (resid 127 and name HN) (resid 126 and name HD22) 3.018 3.018 1.639 weight 1.000 ! spec=HNH, no=602, id=597, vol=1.760000e+07
    or (resid  127 and name   HN) (resid  126 and name HD21)
    or (resid  127 and name   HN) (resid  126 and name HD23)
assign (resid 70 and name HN) (resid 70 and name HB1) 3.018 3.018 1.639 weight 1.000 ! spec=HNH, no=604, id=599, vol=1.760000e+07
assign (resid 81 and name HN) (resid 80 and name HN) 3.018 3.018 1.638 weight 1.000 ! spec=HNH, no=605, id=600, vol=1.760000e+07
assign (resid 100 and name HN) (resid 98 and name HB2) 3.015 3.015 1.636 weight 1.000 ! spec=HNH, no=608, id=603, vol=1.770000e+07
assign (resid 90 and name HN) (resid 91 and name HN) 3.013 3.013 1.635 weight 1.000 ! spec=HNH, no=610, id=605, vol=1.780000e+07
assign (resid 10 and name HE1) (resid 7 and name HB1) 3.012 3.012 1.634 weight 1.000 ! spec=HNH, no=611, id=606, vol=1.780000e+07
assign (resid 120 and name HN) (resid 120 and name HA) 3.010 3.010 1.633 weight 1.000 ! spec=HNH, no=613, id=608, vol=1.790000e+07
assign (resid 65 and name HN) (resid 65 and name HB2) 3.008 3.008 1.631 weight 1.000 ! spec=HNH, no=616, id=611, vol=1.790000e+07
assign (resid 66 and name HN) (resid 65 and name HB2) 3.006 3.006 1.63 weight 1.000 ! spec=HNH, no=618, id=613, vol=1.800000e+07
assign (resid 21 and name HN) (resid 20 and name HB) 3.006 3.006 1.63 weight 1.000 ! spec=HNH, no=619, id=614, vol=1.800000e+07
assign (resid 43 and name HN) (resid 42 and name HB1) 3.006 3.006 1.629 weight 1.000 ! spec=HNH, no=622, id=617, vol=1.800000e+07
assign (resid 79 and name HN) (resid 78 and name HB2) 3.004 3.004 1.628 weight 1.000 ! spec=HNH, no=623, id=618, vol=1.810000e+07
assign (resid 54 and name HN) (resid 53 and name HA) 3.002 3.002 1.627 weight 1.000 ! spec=HNH, no=625, id=620, vol=1.810000e+07
assign (resid 62 and name HN) (resid 61 and name HD1) 2.999 2.999 1.625 weight 1.000 ! spec=HNH, no=627, id=622, vol=1.820000e+07
    or (resid   62 and name   HN) (resid   61 and name  HD2)
assign (resid 104 and name HN) (resid 104 and name HA) 2.997 2.997 1.623 weight 1.000 ! spec=HNH, no=629, id=624, vol=1.830000e+07
assign (resid 17 and name HN) (resid 17 and name HB2) 2.995 2.995 1.621 weight 1.000 ! spec=HNH, no=631, id=626, vol=1.840000e+07
assign (resid 118 and name HN) (resid 118 and name HB2) 2.994 2.994 1.62 weight 1.000 ! spec=HNH, no=632, id=627, vol=1.850000e+07
assign (resid 67 and name HN) (resid 67 and name HA2) 2.994 2.994 1.62 weight 1.000 ! spec=HNH, no=634, id=629, vol=1.850000e+07
assign (resid 42 and name HN) (resid 66 and name HA) 2.993 2.993 1.62 weight 1.000 ! spec=HNH, no=636, id=631, vol=1.850000e+07
assign (resid 97 and name HN) (resid 96 and name HG21) 2.993 2.993 1.619 weight 1.000 ! spec=HNH, no=637, id=632, vol=1.850000e+07
    or (resid   97 and name   HN) (resid   96 and name HG22)
    or (resid   97 and name   HN) (resid   96 and name HG23)
assign (resid 81 and name HN) (resid 79 and name HB2) 2.992 2.992 1.619 weight 1.000 ! spec=HNH, no=638, id=633, vol=1.850000e+07
assign (resid 122 and name HN) (resid 19 and name HB2) 2.989 2.989 1.617 weight 1.000 ! spec=HNH, no=639, id=634, vol=1.860000e+07
assign (resid 58 and name HN) (resid 59 and name HN) 2.987 2.987 1.615 weight 1.000 ! spec=HNH, no=642, id=637, vol=1.870000e+07
assign (resid 94 and name HN) (resid 95 and name HA) 2.987 2.987 1.615 weight 1.000 ! spec=HNH, no=643, id=638, vol=1.870000e+07
assign (resid 65 and name HE1) (resid 118 and name HB1) 2.982 2.982 1.611 weight 1.000 ! spec=HNH, no=647, id=642, vol=1.890000e+07
assign (resid 93 and name HN) (resid 93 and name HA) 2.982 2.982 1.611 weight 1.000 ! spec=HNH, no=649, id=644, vol=1.890000e+07
assign (resid 22 and name HN) (resid 21 and name HA) 2.973 2.973 1.605 weight 1.000 ! spec=HNH, no=654, id=649, vol=1.920000e+07
assign (resid 112 and name HN) (resid 112 and name HB1) 2.972 2.972 1.604 weight 1.000 ! spec=HNH, no=655, id=650, vol=1.930000e+07
assign (resid 46 and name HN) (resid 89 and name HG12) 2.972 2.972 1.604 weight 1.000 ! spec=HNH, no=657, id=652, vol=1.930000e+07
    or (resid   46 and name   HN) (resid   89 and name HG11)
    or (resid   46 and name   HN) (resid   89 and name HG13)
assign (resid 122 and name HN) (resid 122 and name HA) 2.969 2.969 1.602 weight 1.000 ! spec=HNH, no=659, id=654, vol=1.940000e+07
assign (resid 21 and name HN) (resid 121 and name HG11) 2.966 2.966 1.6 weight 1.000 ! spec=HNH, no=661, id=656, vol=1.950000e+07
assign (resid 50 and name HN) (resid 49 and name HA) 2.963 2.963 1.597 weight 1.000 ! spec=HNH, no=663, id=658, vol=1.960000e+07
assign (resid 47 and name HE22) (resid 89 and name HG22) 2.963 2.963 1.597 weight 1.000 ! spec=HNH, no=664, id=659, vol=1.970000e+07
    or (resid   47 and name HE22) (resid   89 and name HG21)
    or (resid   47 and name HE22) (resid   89 and name HG23)
assign (resid 81 and name HN) (resid 81 and name HB1) 2.961 2.961 1.596 weight 1.000 ! spec=HNH, no=665, id=660, vol=1.970000e+07
assign (resid 64 and name HN) (resid 104 and name HB) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=666, id=661, vol=1.970000e+07
assign (resid 37 and name HN) (resid 37 and name HD1) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=667, id=662, vol=1.970000e+07
assign (resid 124 and name HN) (resid 10 and name HZ3) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=668, id=663, vol=1.980000e+07
assign (resid 66 and name HN) (resid 66 and name HA) 2.959 2.959 1.595 weight 1.000 ! spec=HNH, no=669, id=664, vol=1.980000e+07
assign (resid 86 and name HN) (resid 85 and name HA) 2.958 2.958 1.594 weight 1.000 ! spec=HNH, no=671, id=666, vol=1.980000e+07
assign (resid 59 and name HN) (resid 59 and name HG1) 2.957 2.957 1.593 weight 1.000 ! spec=HNH, no=672, id=667, vol=1.990000e+07
assign (resid 85 and name HN) (resid 85 and name HD12) 2.955 2.955 1.592 weight 1.000 ! spec=HNH, no=673, id=668, vol=2.000000e+07
    or (resid   85 and name   HN) (resid   85 and name HD11)
    or (resid   85 and name   HN) (resid   85 and name HD13)
assign (resid 4 and name HN) (resid 4 and name HD12) 2.955 2.955 1.592 weight 1.000 ! spec=HNH, no=674, id=669, vol=2.000000e+07
    or (resid    4 and name   HN) (resid    4 and name HD11)
    or (resid    4 and name   HN) (resid    4 and name HD13)
assign (resid 25 and name HD22) (resid 25 and name HB1) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=675, id=670, vol=2.000000e+07
assign (resid 43 and name HN) (resid 43 and name HA) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=676, id=671, vol=2.000000e+07
assign (resid 28 and name HN) (resid 27 and name HA) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=677, id=672, vol=2.000000e+07
assign (resid 33 and name HN) (resid 32 and name HA) 2.953 2.953 1.59 weight 1.000 ! spec=HNH, no=679, id=674, vol=2.010000e+07
assign (resid 44 and name HN) (resid 44 and name HG11) 2.951 2.951 1.588 weight 1.000 ! spec=HNH, no=680, id=675, vol=2.010000e+07
assign (resid 86 and name HD21) (resid 89 and name HG12) 2.949 2.949 1.587 weight 1.000 ! spec=HNH, no=682, id=677, vol=2.020000e+07
    or (resid   86 and name HD21) (resid   89 and name HG11)
    or (resid   86 and name HD21) (resid   89 and name HG13)
assign (resid 42 and name HN) (resid 121 and name HG22) 2.948 2.948 1.586 weight 1.000 ! spec=HNH, no=684, id=679, vol=2.030000e+07
    or (resid   42 and name   HN) (resid  121 and name HG21)
    or (resid   42 and name   HN) (resid  121 and name HG23)
assign (resid 82 and name HN) (resid 80 and name HG11) 2.947 2.947 1.585 weight 1.000 ! spec=HNH, no=685, id=680, vol=2.030000e+07
assign (resid 78 and name HN) (resid 68 and name HD22) 2.946 2.946 1.585 weight 1.000 ! spec=HNH, no=687, id=682, vol=2.030000e+07
    or (resid   78 and name   HN) (resid   68 and name HD21)
    or (resid   78 and name   HN) (resid   68 and name HD23)
assign (resid 68 and name HN) (resid 66 and name HG12) 2.944 2.944 1.584 weight 1.000 ! spec=HNH, no=688, id=683, vol=2.040000e+07
assign (resid 135 and name HN) (resid 135 and name HG22) 2.943 2.943 1.583 weight 1.000 ! spec=HNH, no=689, id=684, vol=2.050000e+07
    or (resid  135 and name   HN) (resid  135 and name HG21)
    or (resid  135 and name   HN) (resid  135 and name HG23)
assign (resid 70 and name HN) (resid 69 and name HB2) 2.943 2.943 1.582 weight 1.000 ! spec=HNH, no=690, id=685, vol=2.050000e+07
assign (resid 61 and name HN) (resid 60 and name HG2) 2.942 2.942 1.582 weight 1.000 ! spec=HNH, no=693, id=688, vol=2.050000e+07
    or (resid   61 and name   HN) (resid   60 and name  HG1)
assign (resid 101 and name HN) (resid 100 and name HB1) 2.940 2.940 1.581 weight 1.000 ! spec=HNH, no=695, id=690, vol=2.060000e+07
assign (resid 123 and name HN) (resid 122 and name HB1) 2.940 2.940 1.58 weight 1.000 ! spec=HNH, no=696, id=691, vol=2.060000e+07
assign (resid 19 and name HN) (resid 19 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HNH, no=698, id=693, vol=2.070000e+07
assign (resid 102 and name HN) (resid 68 and name HB2) 2.935 2.935 1.577 weight 1.000 ! spec=HNH, no=699, id=694, vol=2.080000e+07
assign (resid 122 and name HN) (resid 122 and name HB2) 2.934 2.934 1.576 weight 1.000 ! spec=HNH, no=700, id=695, vol=2.080000e+07
assign (resid 78 and name HN) (resid 78 and name HB2) 2.933 2.933 1.576 weight 1.000 ! spec=HNH, no=702, id=697, vol=2.090000e+07
assign (resid 34 and name HN) (resid 31 and name HA) 2.933 2.933 1.575 weight 1.000 ! spec=HNH, no=703, id=698, vol=2.090000e+07
assign (resid 100 and name HN) (resid 70 and name HB2) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=705, id=700, vol=2.090000e+07
assign (resid 32 and name HN) (resid 31 and name HD12) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=706, id=701, vol=2.100000e+07
    or (resid   32 and name   HN) (resid   31 and name HD11)
    or (resid   32 and name   HN) (resid   31 and name HD13)
assign (resid 36 and name HN) (resid 35 and name HA) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=707, id=702, vol=2.100000e+07
assign (resid 6 and name HN) (resid 126 and name HD12) 2.930 2.930 1.573 weight 1.000 ! spec=HNH, no=709, id=704, vol=2.100000e+07
    or (resid    6 and name   HN) (resid  126 and name HD11)
    or (resid    6 and name   HN) (resid  126 and name HD13)
assign (resid 118 and name HN) (resid 118 and name HB1) 2.928 2.928 1.572 weight 1.000 ! spec=HNH, no=712, id=707, vol=2.110000e+07
assign (resid 41 and name HN) (resid 41 and name HD22) 2.927 2.927 1.571 weight 1.000 ! spec=HNH, no=714, id=709, vol=2.110000e+07
    or (resid   41 and name   HN) (resid   41 and name HD21)
    or (resid   41 and name   HN) (resid   41 and name HD23)
assign (resid 27 and name HE1) (resid 67 and name HA1) 2.921 2.921 1.567 weight 1.000 ! spec=HNH, no=715, id=710, vol=2.140000e+07
assign (resid 66 and name HN) (resid 66 and name HG12) 2.920 2.920 1.566 weight 1.000 ! spec=HNH, no=718, id=713, vol=2.150000e+07
assign (resid 123 and name HN) (resid 41 and name HA) 2.919 2.919 1.565 weight 1.000 ! spec=HNH, no=719, id=714, vol=2.150000e+07
assign (resid 81 and name HD21) (resid 81 and name HB1) 2.918 2.918 1.565 weight 1.000 ! spec=HNH, no=720, id=715, vol=2.150000e+07
assign (resid 105 and name HN) (resid 104 and name HD12) 2.916 2.916 1.563 weight 1.000 ! spec=HNH, no=721, id=716, vol=2.160000e+07
    or (resid  105 and name   HN) (resid  104 and name HD11)
    or (resid  105 and name   HN) (resid  104 and name HD13)
assign (resid 115 and name HD22) (resid 115 and name HB2) 2.915 2.915 1.562 weight 1.000 ! spec=HNH, no=725, id=720, vol=2.170000e+07
assign (resid 68 and name HN) (resid 68 and name HB1) 2.915 2.915 1.562 weight 1.000 ! spec=HNH, no=726, id=721, vol=2.170000e+07
assign (resid 75 and name HN) (resid 74 and name HA) 2.914 2.914 1.562 weight 1.000 ! spec=HNH, no=729, id=724, vol=2.170000e+07
assign (resid 20 and name HN) (resid 20 and name HA) 2.914 2.914 1.561 weight 1.000 ! spec=HNH, no=731, id=726, vol=2.170000e+07
assign (resid 43 and name HN) (resid 42 and name HG1) 2.912 2.912 1.56 weight 1.000 ! spec=HNH, no=733, id=728, vol=2.180000e+07
assign (resid 119 and name HN) (resid 119 and name HB2) 2.910 2.910 1.559 weight 1.000 ! spec=HNH, no=735, id=730, vol=2.190000e+07
assign (resid 81 and name HD21) (resid 81 and name HB2) 2.910 2.910 1.559 weight 1.000 ! spec=HNH, no=736, id=731, vol=2.190000e+07
assign (resid 118 and name HD21) (resid 118 and name HB1) 2.909 2.909 1.558 weight 1.000 ! spec=HNH, no=737, id=732, vol=2.190000e+07
assign (resid 85 and name HN) (resid 85 and name HD22) 2.908 2.908 1.557 weight 1.000 ! spec=HNH, no=738, id=733, vol=2.200000e+07
    or (resid   85 and name   HN) (resid   85 and name HD21)
    or (resid   85 and name   HN) (resid   85 and name HD23)
assign (resid 127 and name HN) (resid 126 and name HB1) 2.906 2.906 1.556 weight 1.000 ! spec=HNH, no=742, id=737, vol=2.210000e+07
assign (resid 121 and name HN) (resid 121 and name HA) 2.906 2.906 1.556 weight 1.000 ! spec=HNH, no=743, id=738, vol=2.210000e+07
assign (resid 19 and name HN) (resid 19 and name HB1) 2.905 2.905 1.555 weight 1.000 ! spec=HNH, no=744, id=739, vol=2.210000e+07
assign (resid 47 and name HN) (resid 47 and name HG2) 2.904 2.904 1.554 weight 1.000 ! spec=HNH, no=745, id=740, vol=2.220000e+07
    or (resid   47 and name   HN) (resid   47 and name  HG1)
assign (resid 110 and name HN) (resid 104 and name HA) 2.902 2.902 1.553 weight 1.000 ! spec=HNH, no=746, id=741, vol=2.230000e+07
assign (resid 86 and name HD22) (resid 86 and name HB1) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=747, id=742, vol=2.230000e+07
assign (resid 77 and name HN) (resid 77 and name HA) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=748, id=743, vol=2.230000e+07
assign (resid 123 and name HN) (resid 123 and name HA) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=749, id=744, vol=2.230000e+07
assign (resid 108 and name HN) (resid 106 and name HA2) 2.899 2.899 1.55 weight 1.000 ! spec=HNH, no=751, id=746, vol=2.240000e+07
assign (resid 36 and name HN) (resid 33 and name HA) 2.899 2.899 1.55 weight 1.000 ! spec=HNH, no=752, id=747, vol=2.240000e+07
assign (resid 102 and name HN) (resid 77 and name HZ3) 2.898 2.898 1.549 weight 1.000 ! spec=HNH, no=756, id=751, vol=2.240000e+07
assign (resid 119 and name HN) (resid 119 and name HA) 2.895 2.895 1.547 weight 1.000 ! spec=HNH, no=758, id=753, vol=2.260000e+07
assign (resid 80 and name HN) (resid 82 and name HN) 2.894 2.894 1.547 weight 1.000 ! spec=HNH, no=759, id=754, vol=2.260000e+07
assign (resid 74 and name HN) (resid 73 and name HA) 2.894 2.894 1.547 weight 1.000 ! spec=HNH, no=760, id=755, vol=2.260000e+07
assign (resid 97 and name HN) (resid 95 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HNH, no=761, id=756, vol=2.260000e+07
assign (resid 77 and name HN) (resid 77 and name HD1) 2.892 2.892 1.546 weight 1.000 ! spec=HNH, no=762, id=757, vol=2.270000e+07
assign (resid 124 and name HN) (resid 124 and name HA) 2.892 2.892 1.545 weight 1.000 ! spec=HNH, no=763, id=758, vol=2.270000e+07
assign (resid 47 and name HN) (resid 48 and name HN) 2.890 2.890 1.544 weight 1.000 ! spec=HNH, no=764, id=759, vol=2.280000e+07
assign (resid 101 and name HN) (resid 101 and name HB1) 2.888 2.888 1.543 weight 1.000 ! spec=HNH, no=769, id=764, vol=2.290000e+07
assign (resid 52 and name HN) (resid 52 and name HD1) 2.883 2.883 1.539 weight 1.000 ! spec=HNH, no=773, id=768, vol=2.310000e+07
    or (resid   52 and name   HN) (resid   52 and name  HD2)
assign (resid 58 and name HN) (resid 57 and name HG22) 2.880 2.880 1.537 weight 1.000 ! spec=HNH, no=774, id=769, vol=2.330000e+07
    or (resid   58 and name   HN) (resid   57 and name HG21)
    or (resid   58 and name   HN) (resid   57 and name HG23)
assign (resid 111 and name HN) (resid 111 and name HA) 2.880 2.880 1.537 weight 1.000 ! spec=HNH, no=776, id=771, vol=2.330000e+07
assign (resid 65 and name HN) (resid 65 and name HB1) 2.877 2.877 1.535 weight 1.000 ! spec=HNH, no=777, id=772, vol=2.340000e+07
assign (resid 127 and name HN) (resid 126 and name HB2) 2.876 2.876 1.534 weight 1.000 ! spec=HNH, no=778, id=773, vol=2.350000e+07
assign (resid 94 and name HN) (resid 94 and name HA2) 2.875 2.875 1.533 weight 1.000 ! spec=HNH, no=780, id=775, vol=2.350000e+07
assign (resid 42 and name HN) (resid 122 and name HA) 2.874 2.874 1.533 weight 1.000 ! spec=HNH, no=781, id=776, vol=2.360000e+07
assign (resid 49 and name HN) (resid 44 and name HG22) 2.874 2.874 1.532 weight 1.000 ! spec=HNH, no=782, id=777, vol=2.360000e+07
    or (resid   49 and name   HN) (resid   44 and name HG21)
    or (resid   49 and name   HN) (resid   44 and name HG23)
assign (resid 13 and name HN) (resid 13 and name HA) 2.873 2.873 1.532 weight 1.000 ! spec=HNH, no=784, id=779, vol=2.360000e+07
assign (resid 38 and name HN) (resid 35 and name HA) 2.872 2.872 1.531 weight 1.000 ! spec=HNH, no=785, id=780, vol=2.370000e+07
assign (resid 76 and name HN) (resid 75 and name HN) 2.872 2.872 1.531 weight 1.000 ! spec=HNH, no=786, id=781, vol=2.370000e+07
assign (resid 115 and name HD21) (resid 115 and name HB2) 2.871 2.871 1.531 weight 1.000 ! spec=HNH, no=787, id=782, vol=2.370000e+07
assign (resid 120 and name HN) (resid 23 and name HN) 2.870 2.870 1.53 weight 1.000 ! spec=HNH, no=789, id=784, vol=2.380000e+07
assign (resid 102 and name HN) (resid 101 and name HB1) 2.870 2.870 1.53 weight 1.000 ! spec=HNH, no=790, id=785, vol=2.380000e+07
assign (resid 118 and name HD22) (resid 118 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HNH, no=791, id=786, vol=2.380000e+07
assign (resid 70 and name HN) (resid 69 and name HG2) 2.869 2.869 1.529 weight 1.000 ! spec=HNH, no=792, id=787, vol=2.380000e+07
    or (resid   70 and name   HN) (resid   69 and name  HG1)
assign (resid 75 and name HN) (resid 74 and name HN) 2.868 2.868 1.528 weight 1.000 ! spec=HNH, no=793, id=788, vol=2.390000e+07
assign (resid 6 and name HN) (resid 5 and name HG2) 2.868 2.868 1.528 weight 1.000 ! spec=HNH, no=794, id=789, vol=2.390000e+07
    or (resid    6 and name   HN) (resid    5 and name  HG1)
assign (resid 104 and name HN) (resid 104 and name HD12) 2.867 2.867 1.528 weight 1.000 ! spec=HNH, no=795, id=790, vol=2.390000e+07
    or (resid  104 and name   HN) (resid  104 and name HD11)
    or (resid  104 and name   HN) (resid  104 and name HD13)
assign (resid 4 and name HN) (resid 15 and name HA) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=796, id=791, vol=2.390000e+07
assign (resid 5 and name HN) (resid 4 and name HN) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=798, id=793, vol=2.390000e+07
assign (resid 9 and name HN) (resid 8 and name HB1) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=799, id=794, vol=2.390000e+07
assign (resid 17 and name HN) (resid 17 and name HA) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=800, id=795, vol=2.390000e+07
assign (resid 100 and name HN) (resid 100 and name HA) 2.863 2.863 1.525 weight 1.000 ! spec=HNH, no=804, id=799, vol=2.410000e+07
assign (resid 13 and name HN) (resid 13 and name HB2) 2.863 2.863 1.525 weight 1.000 ! spec=HNH, no=805, id=800, vol=2.410000e+07
assign (resid 101 and name HN) (resid 100 and name HB2) 2.857 2.857 1.521 weight 1.000 ! spec=HNH, no=807, id=802, vol=2.440000e+07
assign (resid 53 and name HN) (resid 53 and name HD22) 2.857 2.857 1.52 weight 1.000 ! spec=HNH, no=808, id=803, vol=2.440000e+07
    or (resid   53 and name   HN) (resid   53 and name HD21)
    or (resid   53 and name   HN) (resid   53 and name HD23)
assign (resid 18 and name HN) (resid 18 and name HA) 2.856 2.856 1.519 weight 1.000 ! spec=HNH, no=810, id=805, vol=2.450000e+07
assign (resid 97 and name HN) (resid 98 and name HN) 2.855 2.855 1.519 weight 1.000 ! spec=HNH, no=812, id=807, vol=2.460000e+07
assign (resid 53 and name HN) (resid 52 and name HA) 2.853 2.853 1.518 weight 1.000 ! spec=HNH, no=813, id=808, vol=2.460000e+07
assign (resid 56 and name HN) (resid 54 and name HA) 2.851 2.851 1.516 weight 1.000 ! spec=HNH, no=816, id=811, vol=2.470000e+07
assign (resid 70 and name HN) (resid 70 and name HB2) 2.849 2.849 1.515 weight 1.000 ! spec=HNH, no=817, id=812, vol=2.480000e+07
assign (resid 25 and name HN) (resid 24 and name HB2) 2.846 2.846 1.512 weight 1.000 ! spec=HNH, no=819, id=814, vol=2.500000e+07
assign (resid 21 and name HN) (resid 121 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HNH, no=823, id=818, vol=2.520000e+07
assign (resid 97 and name HN) (resid 97 and name HB2) 2.843 2.843 1.51 weight 1.000 ! spec=HNH, no=824, id=819, vol=2.520000e+07
assign (resid 23 and name HN) (resid 21 and name HA) 2.840 2.840 1.509 weight 1.000 ! spec=HNH, no=826, id=821, vol=2.530000e+07
assign (resid 9 and name HN) (resid 9 and name HB2) 2.839 2.839 1.507 weight 1.000 ! spec=HNH, no=828, id=823, vol=2.540000e+07
assign (resid 100 and name HN) (resid 99 and name HN) 2.838 2.838 1.507 weight 1.000 ! spec=HNH, no=829, id=824, vol=2.540000e+07
assign (resid 9 and name HN) (resid 9 and name HB1) 2.838 2.838 1.507 weight 1.000 ! spec=HNH, no=830, id=825, vol=2.540000e+07
assign (resid 121 and name HN) (resid 121 and name HG12) 2.833 2.833 1.504 weight 1.000 ! spec=HNH, no=831, id=826, vol=2.570000e+07
assign (resid 84 and name HN) (resid 84 and name HG21) 2.832 2.832 1.503 weight 1.000 ! spec=HNH, no=834, id=829, vol=2.580000e+07
    or (resid   84 and name   HN) (resid   84 and name HG22)
    or (resid   84 and name   HN) (resid   84 and name HG23)
assign (resid 66 and name HN) (resid 65 and name HE3) 2.831 2.831 1.502 weight 1.000 ! spec=HNH, no=835, id=830, vol=2.580000e+07
assign (resid 25 and name HD21) (resid 25 and name HB1) 2.830 2.830 1.501 weight 1.000 ! spec=HNH, no=836, id=831, vol=2.580000e+07
assign (resid 135 and name HN) (resid 135 and name HB) 2.830 2.830 1.501 weight 1.000 ! spec=HNH, no=837, id=832, vol=2.590000e+07
assign (resid 97 and name HN) (resid 97 and name HG2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=838, id=833, vol=2.610000e+07
assign (resid 4 and name HN) (resid 3 and name HB2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=839, id=834, vol=2.610000e+07
    or (resid    4 and name   HN) (resid    3 and name  HB1)
assign (resid 101 and name HN) (resid 101 and name HB2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=840, id=835, vol=2.610000e+07
assign (resid 94 and name HN) (resid 94 and name HA1) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=841, id=836, vol=2.610000e+07
assign (resid 96 and name HN) (resid 95 and name HB1) 2.825 2.825 1.498 weight 1.000 ! spec=HNH, no=842, id=837, vol=2.610000e+07
assign (resid 53 and name HN) (resid 50 and name HA) 2.825 2.825 1.497 weight 1.000 ! spec=HNH, no=843, id=838, vol=2.620000e+07
assign (resid 120 and name HN) (resid 21 and name HB1) 2.824 2.824 1.497 weight 1.000 ! spec=HNH, no=844, id=839, vol=2.620000e+07
assign (resid 121 and name HN) (resid 120 and name HB2) 2.823 2.823 1.496 weight 1.000 ! spec=HNH, no=847, id=842, vol=2.630000e+07
assign (resid 120 and name HN) (resid 21 and name HN) 2.822 2.822 1.495 weight 1.000 ! spec=HNH, no=848, id=843, vol=2.630000e+07
assign (resid 123 and name HE22) (resid 43 and name HB2) 2.822 2.822 1.495 weight 1.000 ! spec=HNH, no=849, id=844, vol=2.630000e+07
assign (resid 108 and name HN) (resid 104 and name HG22) 2.821 2.821 1.495 weight 1.000 ! spec=HNH, no=850, id=845, vol=2.630000e+07
    or (resid  108 and name   HN) (resid  104 and name HG21)
    or (resid  108 and name   HN) (resid  104 and name HG23)
assign (resid 50 and name HN) (resid 50 and name HG) 2.821 2.821 1.495 weight 1.000 ! spec=HNH, no=851, id=846, vol=2.630000e+07
assign (resid 81 and name HN) (resid 79 and name HB1) 2.820 2.820 1.494 weight 1.000 ! spec=HNH, no=852, id=847, vol=2.640000e+07
assign (resid 80 and name HN) (resid 80 and name HB) 2.818 2.818 1.493 weight 1.000 ! spec=HNH, no=854, id=849, vol=2.650000e+07
assign (resid 69 and name HE) (resid 69 and name HG2) 2.813 2.813 1.489 weight 1.000 ! spec=HNH, no=855, id=850, vol=2.680000e+07
    or (resid   69 and name   HE) (resid   69 and name  HG1)
assign (resid 3 and name HN) (resid 3 and name HB2) 2.811 2.811 1.487 weight 1.000 ! spec=HNH, no=856, id=851, vol=2.700000e+07
    or (resid    3 and name   HN) (resid    3 and name  HB1)
assign (resid 71 and name HN) (resid 71 and name HG21) 2.809 2.809 1.487 weight 1.000 ! spec=HNH, no=857, id=852, vol=2.700000e+07
    or (resid   71 and name   HN) (resid   71 and name HG22)
    or (resid   71 and name   HN) (resid   71 and name HG23)
assign (resid 28 and name HN) (resid 27 and name HB1) 2.807 2.807 1.485 weight 1.000 ! spec=HNH, no=859, id=854, vol=2.720000e+07
assign (resid 77 and name HN) (resid 77 and name HB1) 2.806 2.806 1.484 weight 1.000 ! spec=HNH, no=861, id=856, vol=2.720000e+07
assign (resid 79 and name HN) (resid 79 and name HB2) 2.802 2.802 1.482 weight 1.000 ! spec=HNH, no=863, id=858, vol=2.740000e+07
assign (resid 118 and name HN) (resid 117 and name HB2) 2.802 2.802 1.481 weight 1.000 ! spec=HNH, no=864, id=859, vol=2.750000e+07
    or (resid  118 and name   HN) (resid  117 and name  HB1)
assign (resid 119 and name HN) (resid 118 and name HB1) 2.799 2.799 1.479 weight 1.000 ! spec=HNH, no=866, id=861, vol=2.770000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.797 2.797 1.478 weight 1.000 ! spec=HNH, no=867, id=862, vol=2.770000e+07
assign (resid 75 and name HN) (resid 75 and name HG2) 2.796 2.796 1.477 weight 1.000 ! spec=HNH, no=869, id=864, vol=2.780000e+07
assign (resid 123 and name HN) (resid 122 and name HB2) 2.795 2.795 1.476 weight 1.000 ! spec=HNH, no=871, id=866, vol=2.790000e+07
assign (resid 29 and name HN) (resid 29 and name HG2) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=873, id=868, vol=2.810000e+07
assign (resid 119 and name HN) (resid 119 and name HG2) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=874, id=869, vol=2.810000e+07
assign (resid 102 and name HN) (resid 102 and name HA) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=875, id=870, vol=2.810000e+07
assign (resid 9 and name HN) (resid 8 and name HB2) 2.790 2.790 1.473 weight 1.000 ! spec=HNH, no=876, id=871, vol=2.820000e+07
assign (resid 27 and name HN) (resid 65 and name HE1) 2.789 2.789 1.473 weight 1.000 ! spec=HNH, no=877, id=872, vol=2.820000e+07
assign (resid 49 and name HN) (resid 48 and name HA) 2.788 2.788 1.471 weight 1.000 ! spec=HNH, no=878, id=873, vol=2.830000e+07
assign (resid 115 and name HD22) (resid 115 and name HB1) 2.787 2.787 1.471 weight 1.000 ! spec=HNH, no=880, id=875, vol=2.830000e+07
assign (resid 39 and name HN) (resid 37 and name HN) 2.787 2.787 1.471 weight 1.000 ! spec=HNH, no=881, id=876, vol=2.840000e+07
assign (resid 64 and name HN) (resid 104 and name HN) 2.786 2.786 1.471 weight 1.000 ! spec=HNH, no=883, id=878, vol=2.840000e+07
assign (resid 92 and name HN) (resid 92 and name HG22) 2.784 2.784 1.469 weight 1.000 ! spec=HNH, no=885, id=880, vol=2.850000e+07
    or (resid   92 and name   HN) (resid   92 and name HG21)
    or (resid   92 and name   HN) (resid   92 and name HG23)
assign (resid 114 and name HN) (resid 100 and name HA) 2.784 2.784 1.469 weight 1.000 ! spec=HNH, no=886, id=881, vol=2.850000e+07
assign (resid 11 and name HN) (resid 11 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HNH, no=888, id=883, vol=2.870000e+07
assign (resid 21 and name HN) (resid 21 and name HB2) 2.781 2.781 1.466 weight 1.000 ! spec=HNH, no=889, id=884, vol=2.870000e+07
assign (resid 56 and name HN) (resid 55 and name HB1) 2.780 2.780 1.466 weight 1.000 ! spec=HNH, no=891, id=886, vol=2.880000e+07
assign (resid 68 and name HN) (resid 68 and name HB2) 2.779 2.779 1.466 weight 1.000 ! spec=HNH, no=892, id=887, vol=2.880000e+07
assign (resid 66 and name HN) (resid 103 and name HA) 2.779 2.779 1.465 weight 1.000 ! spec=HNH, no=893, id=888, vol=2.890000e+07
assign (resid 108 and name HN) (resid 108 and name HD2) 2.778 2.778 1.465 weight 1.000 ! spec=HNH, no=895, id=890, vol=2.890000e+07
    or (resid  108 and name   HN) (resid  108 and name  HD1)
assign (resid 14 and name HN) (resid 13 and name HA) 2.777 2.777 1.464 weight 1.000 ! spec=HNH, no=896, id=891, vol=2.900000e+07
assign (resid 19 and name HN) (resid 122 and name HN) 2.776 2.776 1.464 weight 1.000 ! spec=HNH, no=897, id=892, vol=2.900000e+07
assign (resid 17 and name HN) (resid 16 and name HB2) 2.776 2.776 1.463 weight 1.000 ! spec=HNH, no=898, id=893, vol=2.900000e+07
assign (resid 57 and name HN) (resid 57 and name HD12) 2.776 2.776 1.463 weight 1.000 ! spec=HNH, no=899, id=894, vol=2.900000e+07
    or (resid   57 and name   HN) (resid   57 and name HD11)
    or (resid   57 and name   HN) (resid   57 and name HD13)
assign (resid 53 and name HN) (resid 52 and name HD1) 2.775 2.775 1.463 weight 1.000 ! spec=HNH, no=901, id=896, vol=2.910000e+07
    or (resid   53 and name   HN) (resid   52 and name  HD2)
assign (resid 109 and name HN) (resid 109 and name HG22) 2.774 2.774 1.462 weight 1.000 ! spec=HNH, no=904, id=899, vol=2.920000e+07
    or (resid  109 and name   HN) (resid  109 and name HG21)
    or (resid  109 and name   HN) (resid  109 and name HG23)
assign (resid 121 and name HN) (resid 121 and name HG22) 2.772 2.772 1.461 weight 1.000 ! spec=HNH, no=907, id=902, vol=2.930000e+07
    or (resid  121 and name   HN) (resid  121 and name HG21)
    or (resid  121 and name   HN) (resid  121 and name HG23)
assign (resid 98 and name HD21) (resid 98 and name HB2) 2.771 2.771 1.46 weight 1.000 ! spec=HNH, no=908, id=903, vol=2.930000e+07
assign (resid 120 and name HE1) (resid 33 and name HB1) 2.771 2.771 1.46 weight 1.000 ! spec=HNH, no=909, id=904, vol=2.940000e+07
assign (resid 112 and name HN) (resid 112 and name HG2) 2.767 2.767 1.457 weight 1.000 ! spec=HNH, no=911, id=906, vol=2.960000e+07
assign (resid 63 and name HN) (resid 63 and name HA) 2.766 2.766 1.457 weight 1.000 ! spec=HNH, no=912, id=907, vol=2.970000e+07
assign (resid 32 and name HN) (resid 29 and name HA) 2.762 2.762 1.454 weight 1.000 ! spec=HNH, no=918, id=913, vol=2.990000e+07
assign (resid 43 and name HN) (resid 123 and name HG2) 2.761 2.761 1.453 weight 1.000 ! spec=HNH, no=919, id=914, vol=3.000000e+07
assign (resid 60 and name HN) (resid 60 and name HA) 2.761 2.761 1.453 weight 1.000 ! spec=HNH, no=920, id=915, vol=3.000000e+07
assign (resid 124 and name HN) (resid 124 and name HB2) 2.760 2.760 1.452 weight 1.000 ! spec=HNH, no=921, id=916, vol=3.010000e+07
assign (resid 57 and name HN) (resid 56 and name HA) 2.759 2.759 1.451 weight 1.000 ! spec=HNH, no=922, id=917, vol=3.010000e+07
assign (resid 18 and name HN) (resid 11 and name HN) 2.758 2.758 1.451 weight 1.000 ! spec=HNH, no=923, id=918, vol=3.020000e+07
assign (resid 56 and name HN) (resid 55 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HNH, no=924, id=919, vol=3.020000e+07
assign (resid 65 and name HE1) (resid 26 and name HA) 2.756 2.756 1.449 weight 1.000 ! spec=HNH, no=925, id=920, vol=3.030000e+07
assign (resid 25 and name HD22) (resid 25 and name HB2) 2.756 2.756 1.449 weight 1.000 ! spec=HNH, no=926, id=921, vol=3.030000e+07
assign (resid 100 and name HN) (resid 100 and name HB1) 2.754 2.754 1.448 weight 1.000 ! spec=HNH, no=928, id=923, vol=3.050000e+07
assign (resid 85 and name HN) (resid 78 and name HA) 2.750 2.750 1.445 weight 1.000 ! spec=HNH, no=929, id=924, vol=3.070000e+07
assign (resid 18 and name HN) (resid 17 and name HB2) 2.748 2.748 1.444 weight 1.000 ! spec=HNH, no=931, id=926, vol=3.080000e+07
assign (resid 126 and name HN) (resid 125 and name HB2) 2.748 2.748 1.444 weight 1.000 ! spec=HNH, no=932, id=927, vol=3.090000e+07
assign (resid 60 and name HN) (resid 59 and name HB2) 2.747 2.747 1.444 weight 1.000 ! spec=HNH, no=933, id=928, vol=3.090000e+07
assign (resid 28 and name HN) (resid 26 and name HB) 2.747 2.747 1.443 weight 1.000 ! spec=HNH, no=934, id=929, vol=3.090000e+07
assign (resid 17 and name HN) (resid 17 and name HB1) 2.747 2.747 1.443 weight 1.000 ! spec=HNH, no=935, id=930, vol=3.090000e+07
assign (resid 67 and name HN) (resid 66 and name HG22) 2.746 2.746 1.443 weight 1.000 ! spec=HNH, no=937, id=932, vol=3.100000e+07
    or (resid   67 and name   HN) (resid   66 and name HG21)
    or (resid   67 and name   HN) (resid   66 and name HG23)
assign (resid 119 and name HN) (resid 119 and name HG1) 2.745 2.745 1.442 weight 1.000 ! spec=HNH, no=939, id=934, vol=3.100000e+07
assign (resid 32 and name HN) (resid 31 and name HB1) 2.745 2.745 1.442 weight 1.000 ! spec=HNH, no=940, id=935, vol=3.110000e+07
assign (resid 114 and name HN) (resid 114 and name HB2) 2.743 2.743 1.441 weight 1.000 ! spec=HNH, no=943, id=938, vol=3.120000e+07
assign (resid 120 and name HN) (resid 119 and name HB1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=944, id=939, vol=3.120000e+07
assign (resid 122 and name HN) (resid 122 and name HB1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=945, id=940, vol=3.120000e+07
assign (resid 111 and name HN) (resid 111 and name HD1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=946, id=941, vol=3.130000e+07
    or (resid  111 and name   HN) (resid  111 and name  HD2)
assign (resid 53 and name HN) (resid 54 and name HG) 2.741 2.741 1.439 weight 1.000 ! spec=HNH, no=948, id=943, vol=3.130000e+07
assign (resid 118 and name HD22) (resid 118 and name HB1) 2.740 2.740 1.438 weight 1.000 ! spec=HNH, no=950, id=945, vol=3.140000e+07
assign (resid 13 and name HN) (resid 12 and name HB2) 2.738 2.738 1.437 weight 1.000 ! spec=HNH, no=951, id=946, vol=3.150000e+07
    or (resid   13 and name   HN) (resid   12 and name  HB1)
assign (resid 24 and name HN) (resid 24 and name HA) 2.738 2.738 1.437 weight 1.000 ! spec=HNH, no=952, id=947, vol=3.150000e+07
assign (resid 25 and name HN) (resid 24 and name HB1) 2.736 2.736 1.436 weight 1.000 ! spec=HNH, no=953, id=948, vol=3.170000e+07
assign (resid 67 and name HN) (resid 67 and name HA1) 2.733 2.733 1.433 weight 1.000 ! spec=HNH, no=954, id=949, vol=3.190000e+07
assign (resid 34 and name HN) (resid 36 and name HN) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=955, id=950, vol=3.190000e+07
assign (resid 42 and name HN) (resid 121 and name HB) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=957, id=952, vol=3.190000e+07
assign (resid 43 and name HN) (resid 43 and name HB2) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=958, id=953, vol=3.200000e+07
assign (resid 131 and name HN) (resid 131 and name HB2) 2.731 2.731 1.432 weight 1.000 ! spec=HNH, no=959, id=954, vol=3.200000e+07
    or (resid  131 and name   HN) (resid  131 and name  HB1)
assign (resid 107 and name HN) (resid 107 and name HB1) 2.731 2.731 1.432 weight 1.000 ! spec=HNH, no=960, id=955, vol=3.200000e+07
assign (resid 130 and name HN) (resid 129 and name HA) 2.730 2.730 1.432 weight 1.000 ! spec=HNH, no=962, id=957, vol=3.210000e+07
assign (resid 62 and name HN) (resid 61 and name HA) 2.730 2.730 1.431 weight 1.000 ! spec=HNH, no=963, id=958, vol=3.210000e+07
assign (resid 22 and name HN) (resid 23 and name HN) 2.727 2.727 1.429 weight 1.000 ! spec=HNH, no=967, id=962, vol=3.230000e+07
assign (resid 83 and name HN) (resid 82 and name HA2) 2.726 2.726 1.429 weight 1.000 ! spec=HNH, no=968, id=963, vol=3.240000e+07
assign (resid 86 and name HD21) (resid 86 and name HB2) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=969, id=964, vol=3.240000e+07
assign (resid 64 and name HN) (resid 103 and name HB2) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=970, id=965, vol=3.240000e+07
    or (resid   64 and name   HN) (resid  103 and name  HB1)
    or (resid   64 and name   HN) (resid  103 and name  HB3)
assign (resid 105 and name HN) (resid 108 and name HN) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=971, id=966, vol=3.240000e+07
assign (resid 18 and name HN) (resid 18 and name HD1) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=972, id=967, vol=3.250000e+07
    or (resid   18 and name   HN) (resid   18 and name  HD2)
assign (resid 115 and name HD21) (resid 113 and name HA) 2.724 2.724 1.428 weight 1.000 ! spec=HNH, no=973, id=968, vol=3.250000e+07
assign (resid 35 and name HN) (resid 32 and name HA) 2.724 2.724 1.427 weight 1.000 ! spec=HNH, no=974, id=969, vol=3.260000e+07
assign (resid 64 and name HN) (resid 64 and name HB2) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=976, id=971, vol=3.280000e+07
assign (resid 6 and name HN) (resid 5 and name HB1) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=977, id=972, vol=3.280000e+07
assign (resid 75 and name HN) (resid 72 and name HA) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=978, id=973, vol=3.280000e+07
assign (resid 78 and name HN) (resid 78 and name HB1) 2.719 2.719 1.424 weight 1.000 ! spec=HNH, no=980, id=975, vol=3.290000e+07
assign (resid 119 and name HE) (resid 64 and name HE1) 2.719 2.719 1.424 weight 1.000 ! spec=HNH, no=981, id=976, vol=3.290000e+07
    or (resid  119 and name   HE) (resid   64 and name  HE2)
assign (resid 115 and name HD21) (resid 115 and name HB1) 2.718 2.718 1.424 weight 1.000 ! spec=HNH, no=982, id=977, vol=3.290000e+07
assign (resid 49 and name HN) (resid 51 and name HN) 2.715 2.715 1.422 weight 1.000 ! spec=HNH, no=984, id=979, vol=3.320000e+07
assign (resid 14 and name HN) (resid 14 and name HA) 2.715 2.715 1.422 weight 1.000 ! spec=HNH, no=985, id=980, vol=3.320000e+07
assign (resid 61 and name HN) (resid 61 and name HB2) 2.714 2.714 1.421 weight 1.000 ! spec=HNH, no=987, id=982, vol=3.320000e+07
assign (resid 72 and name HN) (resid 72 and name HA) 2.710 2.710 1.418 weight 1.000 ! spec=HNH, no=991, id=986, vol=3.350000e+07
assign (resid 62 and name HD22) (resid 62 and name HB2) 2.709 2.709 1.417 weight 1.000 ! spec=HNH, no=994, id=989, vol=3.360000e+07
    or (resid   62 and name HD22) (resid   62 and name  HB1)
assign (resid 59 and name HN) (resid 58 and name HA) 2.707 2.707 1.416 weight 1.000 ! spec=HNH, no=997, id=992, vol=3.370000e+07
assign (resid 38 and name HN) (resid 37 and name HA) 2.707 2.707 1.416 weight 1.000 ! spec=HNH, no=998, id=993, vol=3.380000e+07
assign (resid 12 and name HN) (resid 11 and name HD12) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=999, id=994, vol=3.390000e+07
    or (resid   12 and name   HN) (resid   11 and name HD11)
    or (resid   12 and name   HN) (resid   11 and name HD13)
assign (resid 8 and name HE21) (resid 8 and name HG2) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=1000, id=995, vol=3.390000e+07
    or (resid    8 and name HE21) (resid    8 and name  HG1)
assign (resid 89 and name HN) (resid 88 and name HB2) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=1001, id=996, vol=3.390000e+07
    or (resid   89 and name   HN) (resid   88 and name  HB1)
assign (resid 31 and name HN) (resid 30 and name HA1) 2.705 2.705 1.414 weight 1.000 ! spec=HNH, no=1002, id=997, vol=3.390000e+07
assign (resid 59 and name HN) (resid 59 and name HA) 2.704 2.704 1.414 weight 1.000 ! spec=HNH, no=1005, id=1000, vol=3.400000e+07
assign (resid 127 and name HN) (resid 127 and name HB2) 2.703 2.703 1.413 weight 1.000 ! spec=HNH, no=1008, id=1002, vol=3.410000e+07
assign (resid 112 and name HN) (resid 112 and name HA) 2.697 2.697 1.409 weight 1.000 ! spec=HNH, no=1009, id=1003, vol=3.450000e+07
assign (resid 18 and name HN) (resid 11 and name HB2) 2.696 2.696 1.409 weight 1.000 ! spec=HNH, no=1010, id=1004, vol=3.460000e+07
    or (resid   18 and name   HN) (resid   11 and name  HB1)
assign (resid 96 and name HN) (resid 96 and name HB) 2.696 2.696 1.409 weight 1.000 ! spec=HNH, no=1011, id=1005, vol=3.460000e+07
assign (resid 115 and name HD22) (resid 113 and name HA) 2.696 2.696 1.408 weight 1.000 ! spec=HNH, no=1012, id=1006, vol=3.460000e+07
assign (resid 23 and name HN) (resid 21 and name HB2) 2.695 2.695 1.408 weight 1.000 ! spec=HNH, no=1013, id=1007, vol=3.470000e+07
assign (resid 72 and name HN) (resid 71 and name HB) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1016, id=1010, vol=3.490000e+07
assign (resid 12 and name HN) (resid 12 and name HA) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1017, id=1011, vol=3.490000e+07
assign (resid 18 and name HN) (resid 18 and name HB1) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1018, id=1012, vol=3.490000e+07
assign (resid 22 and name HE22) (resid 62 and name HD21) 2.691 2.691 1.405 weight 1.000 ! spec=HNH, no=1019, id=1013, vol=3.500000e+07
assign (resid 48 and name HN) (resid 46 and name HB2) 2.690 2.690 1.404 weight 1.000 ! spec=HNH, no=1020, id=1014, vol=3.510000e+07
    or (resid   48 and name   HN) (resid   46 and name  HB1)
assign (resid 105 and name HN) (resid 110 and name HG21) 2.690 2.690 1.404 weight 1.000 ! spec=HNH, no=1021, id=1015, vol=3.510000e+07
    or (resid  105 and name   HN) (resid  110 and name HG22)
    or (resid  105 and name   HN) (resid  110 and name HG23)
assign (resid 26 and name HN) (resid 26 and name HA) 2.689 2.689 1.404 weight 1.000 ! spec=HNH, no=1022, id=1016, vol=3.510000e+07
assign (resid 104 and name HN) (resid 66 and name HG22) 2.689 2.689 1.404 weight 1.000 ! spec=HNH, no=1023, id=1017, vol=3.520000e+07
    or (resid  104 and name   HN) (resid   66 and name HG21)
    or (resid  104 and name   HN) (resid   66 and name HG23)
assign (resid 16 and name HN) (resid 16 and name HA) 2.685 2.685 1.401 weight 1.000 ! spec=HNH, no=1025, id=1019, vol=3.540000e+07
assign (resid 104 and name HN) (resid 104 and name HG22) 2.681 2.681 1.399 weight 1.000 ! spec=HNH, no=1028, id=1021, vol=3.580000e+07
    or (resid  104 and name   HN) (resid  104 and name HG21)
    or (resid  104 and name   HN) (resid  104 and name HG23)
assign (resid 26 and name HN) (resid 25 and name HB2) 2.681 2.681 1.398 weight 1.000 ! spec=HNH, no=1029, id=1022, vol=3.580000e+07
assign (resid 66 and name HN) (resid 66 and name HD12) 2.681 2.681 1.398 weight 1.000 ! spec=HNH, no=1030, id=1023, vol=3.580000e+07
    or (resid   66 and name   HN) (resid   66 and name HD11)
    or (resid   66 and name   HN) (resid   66 and name HD13)
assign (resid 46 and name HN) (resid 46 and name HB2) 2.677 2.677 1.396 weight 1.000 ! spec=HNH, no=1032, id=1025, vol=3.610000e+07
    or (resid   46 and name   HN) (resid   46 and name  HB1)
assign (resid 84 and name HN) (resid 83 and name HB1) 2.677 2.677 1.396 weight 1.000 ! spec=HNH, no=1033, id=1026, vol=3.610000e+07
assign (resid 25 and name HN) (resid 25 and name HA) 2.674 2.674 1.394 weight 1.000 ! spec=HNH, no=1034, id=1027, vol=3.630000e+07
assign (resid 97 and name HN) (resid 97 and name HB1) 2.674 2.674 1.394 weight 1.000 ! spec=HNH, no=1035, id=1028, vol=3.630000e+07
assign (resid 31 and name HN) (resid 41 and name HD22) 2.672 2.672 1.392 weight 1.000 ! spec=HNH, no=1038, id=1031, vol=3.650000e+07
    or (resid   31 and name   HN) (resid   41 and name HD21)
    or (resid   31 and name   HN) (resid   41 and name HD23)
assign (resid 60 and name HN) (resid 60 and name HG2) 2.671 2.671 1.392 weight 1.000 ! spec=HNH, no=1039, id=1032, vol=3.660000e+07
    or (resid   60 and name   HN) (resid   60 and name  HG1)
assign (resid 115 and name HN) (resid 113 and name HA) 2.670 2.670 1.391 weight 1.000 ! spec=HNH, no=1040, id=1033, vol=3.660000e+07
assign (resid 25 and name HD21) (resid 25 and name HB2) 2.670 2.670 1.391 weight 1.000 ! spec=HNH, no=1041, id=1034, vol=3.670000e+07
assign (resid 115 and name HN) (resid 115 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1044, id=1037, vol=3.680000e+07
assign (resid 117 and name HN) (resid 117 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1045, id=1038, vol=3.690000e+07
assign (resid 8 and name HE22) (resid 8 and name HG2) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1046, id=1039, vol=3.690000e+07
    or (resid    8 and name HE22) (resid    8 and name  HG1)
assign (resid 89 and name HN) (resid 89 and name HG22) 2.667 2.667 1.389 weight 1.000 ! spec=HNH, no=1047, id=1040, vol=3.690000e+07
    or (resid   89 and name   HN) (resid   89 and name HG21)
    or (resid   89 and name   HN) (resid   89 and name HG23)
assign (resid 4 and name HN) (resid 3 and name HG2) 2.667 2.667 1.389 weight 1.000 ! spec=HNH, no=1049, id=1042, vol=3.690000e+07
    or (resid    4 and name   HN) (resid    3 and name  HG1)
assign (resid 58 and name HN) (resid 58 and name HA) 2.666 2.666 1.388 weight 1.000 ! spec=HNH, no=1053, id=1046, vol=3.700000e+07
assign (resid 47 and name HN) (resid 46 and name HA) 2.665 2.665 1.388 weight 1.000 ! spec=HNH, no=1054, id=1047, vol=3.710000e+07
assign (resid 119 and name HN) (resid 119 and name HB1) 2.663 2.663 1.386 weight 1.000 ! spec=HNH, no=1058, id=1051, vol=3.730000e+07
assign (resid 127 and name HN) (resid 126 and name HN) 2.660 2.660 1.384 weight 1.000 ! spec=HNH, no=1060, id=1053, vol=3.750000e+07
assign (resid 91 and name HN) (resid 90 and name HD22) 2.658 2.658 1.383 weight 1.000 ! spec=HNH, no=1061, id=1054, vol=3.760000e+07
    or (resid   91 and name   HN) (resid   90 and name HD21)
    or (resid   91 and name   HN) (resid   90 and name HD23)
    or (resid   91 and name   HN) (resid   90 and name HD12)
    or (resid   91 and name   HN) (resid   90 and name HD11)
    or (resid   91 and name   HN) (resid   90 and name HD13)
assign (resid 126 and name HN) (resid 126 and name HD22) 2.655 2.655 1.381 weight 1.000 ! spec=HNH, no=1064, id=1057, vol=3.790000e+07
    or (resid  126 and name   HN) (resid  126 and name HD21)
    or (resid  126 and name   HN) (resid  126 and name HD23)
assign (resid 72 and name HN) (resid 72 and name HB1) 2.651 2.651 1.379 weight 1.000 ! spec=HNH, no=1067, id=1060, vol=3.820000e+07
assign (resid 98 and name HD21) (resid 98 and name HB1) 2.651 2.651 1.378 weight 1.000 ! spec=HNH, no=1068, id=1061, vol=3.830000e+07
assign (resid 61 and name HN) (resid 60 and name HA) 2.648 2.648 1.377 weight 1.000 ! spec=HNH, no=1071, id=1064, vol=3.850000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 2.648 2.648 1.376 weight 1.000 ! spec=HNH, no=1072, id=1065, vol=3.860000e+07
    or (resid   30 and name   HN) (resid   29 and name  HB1)
assign (resid 16 and name HN) (resid 15 and name HA) 2.646 2.646 1.375 weight 1.000 ! spec=HNH, no=1074, id=1067, vol=3.870000e+07
assign (resid 110 and name HN) (resid 109 and name HG12) 2.645 2.645 1.375 weight 1.000 ! spec=HNH, no=1075, id=1068, vol=3.880000e+07
    or (resid  110 and name   HN) (resid  109 and name HG11)
    or (resid  110 and name   HN) (resid  109 and name HG13)
assign (resid 19 and name HN) (resid 19 and name HB2) 2.643 2.643 1.373 weight 1.000 ! spec=HNH, no=1077, id=1070, vol=3.890000e+07
assign (resid 124 and name HN) (resid 17 and name HN) 2.642 2.642 1.373 weight 1.000 ! spec=HNH, no=1078, id=1071, vol=3.910000e+07
assign (resid 37 and name HN) (resid 37 and name HB2) 2.642 2.642 1.373 weight 1.000 ! spec=HNH, no=1079, id=1072, vol=3.910000e+07
assign (resid 76 and name HN) (resid 75 and name HA) 2.641 2.641 1.372 weight 1.000 ! spec=HNH, no=1080, id=1073, vol=3.910000e+07
assign (resid 67 and name HN) (resid 66 and name HB) 2.639 2.639 1.371 weight 1.000 ! spec=HNH, no=1081, id=1074, vol=3.930000e+07
assign (resid 69 and name HN) (resid 69 and name HG2) 2.639 2.639 1.37 weight 1.000 ! spec=HNH, no=1082, id=1075, vol=3.930000e+07
    or (resid   69 and name   HN) (resid   69 and name  HG1)
assign (resid 96 and name HN) (resid 95 and name HB2) 2.632 2.632 1.366 weight 1.000 ! spec=HNH, no=1085, id=1078, vol=4.000000e+07
assign (resid 77 and name HE1) (resid 92 and name HG22) 2.631 2.631 1.365 weight 1.000 ! spec=HNH, no=1086, id=1079, vol=4.000000e+07
    or (resid   77 and name  HE1) (resid   92 and name HG21)
    or (resid   77 and name  HE1) (resid   92 and name HG23)
assign (resid 72 and name HN) (resid 71 and name HG21) 2.630 2.630 1.365 weight 1.000 ! spec=HNH, no=1087, id=1080, vol=4.010000e+07
    or (resid   72 and name   HN) (resid   71 and name HG22)
    or (resid   72 and name   HN) (resid   71 and name HG23)
assign (resid 61 and name HN) (resid 61 and name HB1) 2.629 2.629 1.364 weight 1.000 ! spec=HNH, no=1089, id=1082, vol=4.020000e+07
assign (resid 51 and name HN) (resid 50 and name HB1) 2.628 2.628 1.363 weight 1.000 ! spec=HNH, no=1091, id=1084, vol=4.030000e+07
assign (resid 47 and name HE21) (resid 47 and name HG2) 2.625 2.625 1.362 weight 1.000 ! spec=HNH, no=1092, id=1085, vol=4.060000e+07
    or (resid   47 and name HE21) (resid   47 and name  HG1)
assign (resid 59 and name HN) (resid 59 and name HB2) 2.623 2.623 1.36 weight 1.000 ! spec=HNH, no=1095, id=1088, vol=4.080000e+07
assign (resid 86 and name HD21) (resid 86 and name HB1) 2.622 2.622 1.359 weight 1.000 ! spec=HNH, no=1096, id=1089, vol=4.090000e+07
assign (resid 112 and name HN) (resid 111 and name HB2) 2.622 2.622 1.359 weight 1.000 ! spec=HNH, no=1097, id=1090, vol=4.090000e+07
assign (resid 55 and name HN) (resid 54 and name HB1) 2.619 2.619 1.358 weight 1.000 ! spec=HNH, no=1098, id=1091, vol=4.120000e+07
assign (resid 114 and name HN) (resid 114 and name HA) 2.618 2.618 1.357 weight 1.000 ! spec=HNH, no=1100, id=1093, vol=4.120000e+07
assign (resid 41 and name HN) (resid 40 and name HB) 2.617 2.617 1.356 weight 1.000 ! spec=HNH, no=1102, id=1095, vol=4.140000e+07
assign (resid 37 and name HN) (resid 36 and name HA1) 2.615 2.615 1.355 weight 1.000 ! spec=HNH, no=1103, id=1096, vol=4.150000e+07
assign (resid 70 and name HN) (resid 69 and name HA) 2.614 2.614 1.354 weight 1.000 ! spec=HNH, no=1105, id=1098, vol=4.160000e+07
assign (resid 77 and name HN) (resid 77 and name HB2) 2.608 2.608 1.35 weight 1.000 ! spec=HNH, no=1110, id=1103, vol=4.230000e+07
assign (resid 96 and name HN) (resid 96 and name HA) 2.607 2.607 1.35 weight 1.000 ! spec=HNH, no=1111, id=1104, vol=4.230000e+07
assign (resid 3 and name HN) (resid 15 and name HA) 2.605 2.605 1.349 weight 1.000 ! spec=HNH, no=1113, id=1106, vol=4.250000e+07
assign (resid 27 and name HN) (resid 28 and name HN) 2.604 2.604 1.348 weight 1.000 ! spec=HNH, no=1114, id=1107, vol=4.260000e+07
assign (resid 123 and name HN) (resid 40 and name HN) 2.604 2.604 1.347 weight 1.000 ! spec=HNH, no=1116, id=1109, vol=4.260000e+07
assign (resid 92 and name HN) (resid 92 and name HG12) 2.602 2.602 1.347 weight 1.000 ! spec=HNH, no=1117, id=1110, vol=4.280000e+07
assign (resid 51 and name HN) (resid 48 and name HA) 2.602 2.602 1.346 weight 1.000 ! spec=HNH, no=1118, id=1111, vol=4.280000e+07
assign (resid 24 and name HN) (resid 24 and name HB2) 2.601 2.601 1.346 weight 1.000 ! spec=HNH, no=1119, id=1112, vol=4.290000e+07
assign (resid 56 and name HN) (resid 55 and name HB2) 2.601 2.601 1.345 weight 1.000 ! spec=HNH, no=1120, id=1113, vol=4.290000e+07
assign (resid 127 and name HN) (resid 127 and name HA) 2.600 2.600 1.345 weight 1.000 ! spec=HNH, no=1122, id=1115, vol=4.300000e+07
assign (resid 31 and name HN) (resid 28 and name HA) 2.599 2.599 1.344 weight 1.000 ! spec=HNH, no=1123, id=1116, vol=4.310000e+07
assign (resid 29 and name HN) (resid 29 and name HA) 2.599 2.599 1.344 weight 1.000 ! spec=HNH, no=1124, id=1117, vol=4.310000e+07
assign (resid 62 and name HD21) (resid 62 and name HB2) 2.594 2.594 1.341 weight 1.000 ! spec=HNH, no=1127, id=1120, vol=4.360000e+07
    or (resid   62 and name HD21) (resid   62 and name  HB1)
assign (resid 10 and name HN) (resid 10 and name HA) 2.590 2.590 1.338 weight 1.000 ! spec=HNH, no=1131, id=1124, vol=4.400000e+07
assign (resid 110 and name HN) (resid 103 and name HN) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1132, id=1125, vol=4.410000e+07
assign (resid 126 and name HN) (resid 16 and name HA) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1133, id=1126, vol=4.410000e+07
assign (resid 28 and name HN) (resid 27 and name HB2) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1134, id=1127, vol=4.420000e+07
assign (resid 76 and name HD21) (resid 76 and name HB1) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1135, id=1128, vol=4.420000e+07
assign (resid 90 and name HN) (resid 90 and name HA) 2.588 2.588 1.337 weight 1.000 ! spec=HNH, no=1137, id=1130, vol=4.420000e+07
assign (resid 6 and name HN) (resid 5 and name HB2) 2.588 2.588 1.337 weight 1.000 ! spec=HNH, no=1138, id=1131, vol=4.420000e+07
assign (resid 114 and name HN) (resid 114 and name HB1) 2.585 2.585 1.335 weight 1.000 ! spec=HNH, no=1140, id=1133, vol=4.450000e+07
assign (resid 79 and name HE3) (resid 79 and name HB1) 2.585 2.585 1.335 weight 1.000 ! spec=HNH, no=1141, id=1134, vol=4.460000e+07
assign (resid 3 and name HN) (resid 2 and name HA) 2.583 2.583 1.334 weight 1.000 ! spec=HNH, no=1142, id=1135, vol=4.470000e+07
assign (resid 121 and name HN) (resid 121 and name HB) 2.580 2.580 1.332 weight 1.000 ! spec=HNH, no=1148, id=1141, vol=4.500000e+07
assign (resid 41 and name HN) (resid 41 and name HB2) 2.580 2.580 1.332 weight 1.000 ! spec=HNH, no=1149, id=1142, vol=4.500000e+07
assign (resid 61 and name HN) (resid 62 and name HN) 2.578 2.578 1.331 weight 1.000 ! spec=HNH, no=1150, id=1143, vol=4.520000e+07
assign (resid 27 and name HE1) (resid 41 and name HD22) 2.577 2.577 1.33 weight 1.000 ! spec=HNH, no=1152, id=1145, vol=4.540000e+07
    or (resid   27 and name  HE1) (resid   41 and name HD21)
    or (resid   27 and name  HE1) (resid   41 and name HD23)
assign (resid 123 and name HN) (resid 123 and name HG2) 2.577 2.577 1.33 weight 1.000 ! spec=HNH, no=1153, id=1146, vol=4.540000e+07
assign (resid 9 and name HN) (resid 8 and name HG2) 2.575 2.575 1.329 weight 1.000 ! spec=HNH, no=1154, id=1147, vol=4.550000e+07
    or (resid    9 and name   HN) (resid    8 and name  HG1)
assign (resid 126 and name HN) (resid 126 and name HA) 2.575 2.575 1.329 weight 1.000 ! spec=HNH, no=1155, id=1148, vol=4.560000e+07
assign (resid 126 and name HN) (resid 126 and name HB1) 2.573 2.573 1.328 weight 1.000 ! spec=HNH, no=1156, id=1149, vol=4.580000e+07
assign (resid 120 and name HE1) (resid 33 and name HB2) 2.572 2.572 1.327 weight 1.000 ! spec=HNH, no=1158, id=1151, vol=4.590000e+07
assign (resid 27 and name HN) (resid 27 and name HA) 2.572 2.572 1.327 weight 1.000 ! spec=HNH, no=1159, id=1152, vol=4.590000e+07
assign (resid 120 and name HN) (resid 119 and name HA) 2.569 2.569 1.325 weight 1.000 ! spec=HNH, no=1160, id=1153, vol=4.620000e+07
assign (resid 31 and name HN) (resid 30 and name HA2) 2.567 2.567 1.324 weight 1.000 ! spec=HNH, no=1161, id=1154, vol=4.640000e+07
assign (resid 92 and name HN) (resid 92 and name HA) 2.566 2.566 1.323 weight 1.000 ! spec=HNH, no=1162, id=1155, vol=4.660000e+07
assign (resid 25 and name HN) (resid 120 and name HZ3) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1164, id=1157, vol=4.670000e+07
assign (resid 39 and name HN) (resid 39 and name HA) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1165, id=1158, vol=4.670000e+07
assign (resid 10 and name HN) (resid 9 and name HA) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1166, id=1159, vol=4.670000e+07
assign (resid 120 and name HN) (resid 119 and name HB2) 2.563 2.563 1.321 weight 1.000 ! spec=HNH, no=1167, id=1160, vol=4.690000e+07
assign (resid 135 and name HN) (resid 134 and name HA) 2.559 2.559 1.319 weight 1.000 ! spec=HNH, no=1169, id=1162, vol=4.730000e+07
assign (resid 77 and name HN) (resid 76 and name HB1) 2.555 2.555 1.316 weight 1.000 ! spec=HNH, no=1171, id=1164, vol=4.780000e+07
assign (resid 125 and name HN) (resid 125 and name HA) 2.554 2.554 1.315 weight 1.000 ! spec=HNH, no=1172, id=1165, vol=4.790000e+07
assign (resid 28 and name HN) (resid 28 and name HG1) 2.550 2.550 1.313 weight 1.000 ! spec=HNH, no=1174, id=1167, vol=4.830000e+07
assign (resid 125 and name HN) (resid 125 and name HB2) 2.548 2.548 1.312 weight 1.000 ! spec=HNH, no=1176, id=1169, vol=4.860000e+07
assign (resid 29 and name HN) (resid 28 and name HN) 2.545 2.545 1.309 weight 1.000 ! spec=HNH, no=1179, id=1172, vol=4.890000e+07
assign (resid 45 and name HN) (resid 45 and name HB2) 2.544 2.544 1.309 weight 1.000 ! spec=HNH, no=1181, id=1174, vol=4.900000e+07
assign (resid 61 and name HN) (resid 61 and name HA) 2.543 2.543 1.308 weight 1.000 ! spec=HNH, no=1182, id=1175, vol=4.910000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.542 2.542 1.308 weight 1.000 ! spec=HNH, no=1183, id=1176, vol=4.930000e+07
assign (resid 31 and name HN) (resid 41 and name HD12) 2.542 2.542 1.307 weight 1.000 ! spec=HNH, no=1184, id=1177, vol=4.930000e+07
    or (resid   31 and name   HN) (resid   41 and name HD11)
    or (resid   31 and name   HN) (resid   41 and name HD13)
assign (resid 96 and name HN) (resid 96 and name HG21) 2.539 2.539 1.306 weight 1.000 ! spec=HNH, no=1186, id=1179, vol=4.960000e+07
    or (resid   96 and name   HN) (resid   96 and name HG22)
    or (resid   96 and name   HN) (resid   96 and name HG23)
assign (resid 59 and name HN) (resid 57 and name HG22) 2.535 2.535 1.303 weight 1.000 ! spec=HNH, no=1187, id=1180, vol=5.010000e+07
    or (resid   59 and name   HN) (resid   57 and name HG21)
    or (resid   59 and name   HN) (resid   57 and name HG23)
assign (resid 118 and name HN) (resid 65 and name HE1) 2.535 2.535 1.303 weight 1.000 ! spec=HNH, no=1188, id=1181, vol=5.010000e+07
assign (resid 123 and name HE22) (resid 123 and name HG1) 2.533 2.533 1.302 weight 1.000 ! spec=HNH, no=1191, id=1184, vol=5.030000e+07
assign (resid 113 and name HN) (resid 113 and name HA) 2.532 2.532 1.301 weight 1.000 ! spec=HNH, no=1192, id=1185, vol=5.040000e+07
assign (resid 92 and name HN) (resid 92 and name HG11) 2.531 2.531 1.301 weight 1.000 ! spec=HNH, no=1196, id=1189, vol=5.060000e+07
assign (resid 82 and name HN) (resid 82 and name HA2) 2.530 2.530 1.3 weight 1.000 ! spec=HNH, no=1197, id=1190, vol=5.060000e+07
assign (resid 6 and name HN) (resid 6 and name HA) 2.529 2.529 1.3 weight 1.000 ! spec=HNH, no=1198, id=1191, vol=5.070000e+07
assign (resid 5 and name HN) (resid 5 and name HG2) 2.529 2.529 1.299 weight 1.000 ! spec=HNH, no=1199, id=1192, vol=5.080000e+07
    or (resid    5 and name   HN) (resid    5 and name  HG1)
assign (resid 113 and name HN) (resid 112 and name HB1) 2.526 2.526 1.297 weight 1.000 ! spec=HNH, no=1200, id=1193, vol=5.120000e+07
assign (resid 26 and name HN) (resid 25 and name HB1) 2.525 2.525 1.297 weight 1.000 ! spec=HNH, no=1201, id=1194, vol=5.130000e+07
assign (resid 58 and name HN) (resid 58 and name HB2) 2.524 2.524 1.296 weight 1.000 ! spec=HNH, no=1202, id=1195, vol=5.140000e+07
    or (resid   58 and name   HN) (resid   58 and name  HB1)
assign (resid 134 and name HN) (resid 133 and name HA) 2.523 2.523 1.296 weight 1.000 ! spec=HNH, no=1203, id=1196, vol=5.150000e+07
assign (resid 75 and name HN) (resid 75 and name HA) 2.521 2.521 1.295 weight 1.000 ! spec=HNH, no=1207, id=1200, vol=5.170000e+07
assign (resid 48 and name HN) (resid 48 and name HG1) 2.521 2.521 1.294 weight 1.000 ! spec=HNH, no=1208, id=1201, vol=5.170000e+07
assign (resid 89 and name HN) (resid 88 and name HN) 2.520 2.520 1.294 weight 1.000 ! spec=HNH, no=1209, id=1202, vol=5.190000e+07
assign (resid 37 and name HN) (resid 37 and name HD2) 2.519 2.519 1.293 weight 1.000 ! spec=HNH, no=1210, id=1203, vol=5.200000e+07
assign (resid 62 and name HN) (resid 62 and name HA) 2.518 2.518 1.293 weight 1.000 ! spec=HNH, no=1211, id=1204, vol=5.210000e+07
assign (resid 106 and name HN) (resid 106 and name HA2) 2.516 2.516 1.291 weight 1.000 ! spec=HNH, no=1213, id=1206, vol=5.230000e+07
assign (resid 80 and name HN) (resid 80 and name HA) 2.516 2.516 1.291 weight 1.000 ! spec=HNH, no=1215, id=1208, vol=5.240000e+07
assign (resid 89 and name HN) (resid 89 and name HA) 2.514 2.514 1.29 weight 1.000 ! spec=HNH, no=1217, id=1210, vol=5.270000e+07
assign (resid 53 and name HN) (resid 53 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1218, id=1211, vol=5.280000e+07
assign (resid 80 and name HN) (resid 79 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1219, id=1212, vol=5.280000e+07
assign (resid 83 and name HN) (resid 83 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1220, id=1213, vol=5.280000e+07
assign (resid 91 and name HN) (resid 90 and name HB1) 2.512 2.512 1.289 weight 1.000 ! spec=HNH, no=1222, id=1215, vol=5.290000e+07
assign (resid 30 and name HN) (resid 30 and name HA1) 2.512 2.512 1.288 weight 1.000 ! spec=HNH, no=1223, id=1216, vol=5.290000e+07
assign (resid 115 and name HN) (resid 115 and name HB1) 2.507 2.507 1.286 weight 1.000 ! spec=HNH, no=1224, id=1217, vol=5.350000e+07
assign (resid 74 and name HN) (resid 74 and name HB1) 2.502 2.502 1.283 weight 1.000 ! spec=HNH, no=1225, id=1218, vol=5.410000e+07
assign (resid 20 and name HN) (resid 20 and name HB) 2.500 2.500 1.281 weight 1.000 ! spec=HNH, no=1227, id=1220, vol=5.450000e+07
assign (resid 122 and name HN) (resid 121 and name HG22) 2.499 2.499 1.281 weight 1.000 ! spec=HNH, no=1228, id=1221, vol=5.450000e+07
    or (resid  122 and name   HN) (resid  121 and name HG21)
    or (resid  122 and name   HN) (resid  121 and name HG23)
assign (resid 5 and name HN) (resid 4 and name HB1) 2.498 2.498 1.28 weight 1.000 ! spec=HNH, no=1229, id=1222, vol=5.460000e+07
assign (resid 94 and name HN) (resid 93 and name HA) 2.495 2.495 1.278 weight 1.000 ! spec=HNH, no=1231, id=1224, vol=5.510000e+07
assign (resid 47 and name HN) (resid 46 and name HB2) 2.494 2.494 1.278 weight 1.000 ! spec=HNH, no=1232, id=1225, vol=5.520000e+07
    or (resid   47 and name   HN) (resid   46 and name  HB1)
assign (resid 81 and name HN) (resid 82 and name HN) 2.493 2.493 1.277 weight 1.000 ! spec=HNH, no=1233, id=1226, vol=5.540000e+07
assign (resid 31 and name HN) (resid 31 and name HA) 2.489 2.489 1.274 weight 1.000 ! spec=HNH, no=1235, id=1228, vol=5.590000e+07
assign (resid 21 and name HN) (resid 20 and name HG12) 2.489 2.489 1.274 weight 1.000 ! spec=HNH, no=1236, id=1229, vol=5.590000e+07
    or (resid   21 and name   HN) (resid   20 and name HG11)
    or (resid   21 and name   HN) (resid   20 and name HG13)
assign (resid 26 and name HN) (resid 29 and name HB2) 2.488 2.488 1.274 weight 1.000 ! spec=HNH, no=1237, id=1230, vol=5.600000e+07
    or (resid   26 and name   HN) (resid   29 and name  HB1)
assign (resid 118 and name HN) (resid 25 and name HN) 2.483 2.483 1.271 weight 1.000 ! spec=HNH, no=1239, id=1232, vol=5.670000e+07
assign (resid 68 and name HN) (resid 27 and name HE1) 2.481 2.481 1.27 weight 1.000 ! spec=HNH, no=1241, id=1234, vol=5.690000e+07
assign (resid 39 and name HN) (resid 35 and name HA) 2.480 2.480 1.269 weight 1.000 ! spec=HNH, no=1242, id=1235, vol=5.700000e+07
assign (resid 121 and name HN) (resid 120 and name HA) 2.479 2.479 1.268 weight 1.000 ! spec=HNH, no=1244, id=1237, vol=5.730000e+07
assign (resid 41 and name HN) (resid 41 and name HB1) 2.479 2.479 1.268 weight 1.000 ! spec=HNH, no=1245, id=1238, vol=5.730000e+07
assign (resid 10 and name HN) (resid 10 and name HD1) 2.478 2.478 1.268 weight 1.000 ! spec=HNH, no=1246, id=1239, vol=5.730000e+07
assign (resid 35 and name HN) (resid 35 and name HA) 2.477 2.477 1.267 weight 1.000 ! spec=HNH, no=1247, id=1240, vol=5.750000e+07
assign (resid 59 and name HN) (resid 58 and name HB2) 2.473 2.473 1.265 weight 1.000 ! spec=HNH, no=1250, id=1243, vol=5.800000e+07
    or (resid   59 and name   HN) (resid   58 and name  HB1)
assign (resid 107 and name HN) (resid 106 and name HA1) 2.472 2.472 1.264 weight 1.000 ! spec=HNH, no=1251, id=1244, vol=5.820000e+07
assign (resid 32 and name HN) (resid 32 and name HA) 2.470 2.470 1.263 weight 1.000 ! spec=HNH, no=1252, id=1245, vol=5.850000e+07
assign (resid 42 and name HN) (resid 42 and name HA) 2.469 2.469 1.262 weight 1.000 ! spec=HNH, no=1253, id=1246, vol=5.870000e+07
assign (resid 50 and name HN) (resid 44 and name HG22) 2.468 2.468 1.262 weight 1.000 ! spec=HNH, no=1254, id=1247, vol=5.870000e+07
    or (resid   50 and name   HN) (resid   44 and name HG21)
    or (resid   50 and name   HN) (resid   44 and name HG23)
assign (resid 27 and name HN) (resid 26 and name HA) 2.463 2.463 1.258 weight 1.000 ! spec=HNH, no=1257, id=1250, vol=5.960000e+07
assign (resid 41 and name HN) (resid 80 and name HD12) 2.462 2.462 1.258 weight 1.000 ! spec=HNH, no=1258, id=1251, vol=5.970000e+07
    or (resid   41 and name   HN) (resid   80 and name HD11)
    or (resid   41 and name   HN) (resid   80 and name HD13)
assign (resid 32 and name HN) (resid 31 and name HB2) 2.460 2.460 1.256 weight 1.000 ! spec=HNH, no=1263, id=1256, vol=6.000000e+07
assign (resid 29 and name HN) (resid 30 and name HN) 2.459 2.459 1.256 weight 1.000 ! spec=HNH, no=1264, id=1257, vol=6.000000e+07
assign (resid 79 and name HE1) (resid 85 and name HD12) 2.458 2.458 1.256 weight 1.000 ! spec=HNH, no=1266, id=1259, vol=6.020000e+07
    or (resid   79 and name  HE1) (resid   85 and name HD11)
    or (resid   79 and name  HE1) (resid   85 and name HD13)
assign (resid 90 and name HN) (resid 90 and name HG) 2.458 2.458 1.255 weight 1.000 ! spec=HNH, no=1267, id=1260, vol=6.020000e+07
assign (resid 37 and name HN) (resid 37 and name HA) 2.456 2.456 1.254 weight 1.000 ! spec=HNH, no=1269, id=1262, vol=6.050000e+07
assign (resid 82 and name HN) (resid 83 and name HN) 2.454 2.454 1.253 weight 1.000 ! spec=HNH, no=1272, id=1265, vol=6.090000e+07
assign (resid 28 and name HN) (resid 28 and name HA) 2.453 2.453 1.252 weight 1.000 ! spec=HNH, no=1274, id=1267, vol=6.110000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 2.452 2.452 1.252 weight 1.000 ! spec=HNH, no=1275, id=1268, vol=6.110000e+07
    or (resid   47 and name   HN) (resid   47 and name  HB1)
assign (resid 105 and name HN) (resid 105 and name HA) 2.451 2.451 1.251 weight 1.000 ! spec=HNH, no=1277, id=1270, vol=6.130000e+07
assign (resid 54 and name HN) (resid 53 and name HB2) 2.451 2.451 1.251 weight 1.000 ! spec=HNH, no=1278, id=1271, vol=6.130000e+07
assign (resid 27 and name HN) (resid 26 and name HB) 2.449 2.449 1.25 weight 1.000 ! spec=HNH, no=1280, id=1273, vol=6.160000e+07
assign (resid 65 and name HN) (resid 64 and name HA) 2.449 2.449 1.25 weight 1.000 ! spec=HNH, no=1281, id=1274, vol=6.160000e+07
assign (resid 17 and name HN) (resid 16 and name HB1) 2.446 2.446 1.248 weight 1.000 ! spec=HNH, no=1283, id=1276, vol=6.200000e+07
assign (resid 57 and name HN) (resid 57 and name HG12) 2.446 2.446 1.248 weight 1.000 ! spec=HNH, no=1284, id=1277, vol=6.210000e+07
assign (resid 80 and name HN) (resid 80 and name HG11) 2.445 2.445 1.247 weight 1.000 ! spec=HNH, no=1285, id=1278, vol=6.220000e+07
assign (resid 6 and name HN) (resid 6 and name HB1) 2.445 2.445 1.247 weight 1.000 ! spec=HNH, no=1286, id=1279, vol=6.220000e+07
assign (resid 50 and name HN) (resid 50 and name HA) 2.444 2.444 1.247 weight 1.000 ! spec=HNH, no=1287, id=1280, vol=6.230000e+07
assign (resid 35 and name HN) (resid 36 and name HN) 2.444 2.444 1.247 weight 1.000 ! spec=HNH, no=1289, id=1282, vol=6.230000e+07
assign (resid 107 and name HN) (resid 107 and name HA) 2.443 2.443 1.246 weight 1.000 ! spec=HNH, no=1291, id=1284, vol=6.250000e+07
assign (resid 30 and name HN) (resid 31 and name HN) 2.443 2.443 1.246 weight 1.000 ! spec=HNH, no=1292, id=1285, vol=6.250000e+07
assign (resid 33 and name HN) (resid 33 and name HA) 2.434 2.434 1.241 weight 1.000 ! spec=HNH, no=1295, id=1288, vol=6.390000e+07
assign (resid 85 and name HN) (resid 85 and name HB1) 2.430 2.430 1.238 weight 1.000 ! spec=HNH, no=1296, id=1289, vol=6.450000e+07
assign (resid 103 and name HN) (resid 102 and name HB2) 2.430 2.430 1.238 weight 1.000 ! spec=HNH, no=1297, id=1290, vol=6.450000e+07
    or (resid  103 and name   HN) (resid  102 and name  HB1)
    or (resid  103 and name   HN) (resid  102 and name  HB3)
assign (resid 113 and name HN) (resid 112 and name HB2) 2.428 2.428 1.237 weight 1.000 ! spec=HNH, no=1298, id=1291, vol=6.480000e+07
assign (resid 33 and name HN) (resid 32 and name HB) 2.424 2.424 1.234 weight 1.000 ! spec=HNH, no=1301, id=1294, vol=6.560000e+07
assign (resid 34 and name HN) (resid 34 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HNH, no=1304, id=1296, vol=6.620000e+07
assign (resid 105 and name HN) (resid 104 and name HG22) 2.416 2.416 1.23 weight 1.000 ! spec=HNH, no=1306, id=1298, vol=6.680000e+07
    or (resid  105 and name   HN) (resid  104 and name HG21)
    or (resid  105 and name   HN) (resid  104 and name HG23)
assign (resid 108 and name HN) (resid 108 and name HG2) 2.416 2.416 1.229 weight 1.000 ! spec=HNH, no=1307, id=1299, vol=6.680000e+07
assign (resid 32 and name HN) (resid 33 and name HN) 2.416 2.416 1.229 weight 1.000 ! spec=HNH, no=1308, id=1300, vol=6.690000e+07
assign (resid 66 and name HN) (resid 65 and name HA) 2.415 2.415 1.229 weight 1.000 ! spec=HNH, no=1309, id=1301, vol=6.690000e+07
assign (resid 95 and name HN) (resid 95 and name HB1) 2.415 2.415 1.229 weight 1.000 ! spec=HNH, no=1310, id=1302, vol=6.700000e+07
assign (resid 54 and name HN) (resid 54 and name HB1) 2.414 2.414 1.229 weight 1.000 ! spec=HNH, no=1311, id=1303, vol=6.710000e+07
assign (resid 108 and name HN) (resid 107 and name HA) 2.411 2.411 1.227 weight 1.000 ! spec=HNH, no=1312, id=1304, vol=6.760000e+07
assign (resid 8 and name HN) (resid 8 and name HA) 2.408 2.408 1.225 weight 1.000 ! spec=HNH, no=1313, id=1305, vol=6.820000e+07
assign (resid 36 and name HN) (resid 37 and name HN) 2.407 2.407 1.224 weight 1.000 ! spec=HNH, no=1316, id=1308, vol=6.840000e+07
assign (resid 53 and name HN) (resid 52 and name HB1) 2.406 2.406 1.224 weight 1.000 ! spec=HNH, no=1318, id=1310, vol=6.850000e+07
assign (resid 54 and name HN) (resid 53 and name HN) 2.405 2.405 1.223 weight 1.000 ! spec=HNH, no=1319, id=1311, vol=6.860000e+07
assign (resid 79 and name HN) (resid 78 and name HA) 2.405 2.405 1.223 weight 1.000 ! spec=HNH, no=1320, id=1312, vol=6.860000e+07
assign (resid 33 and name HN) (resid 34 and name HN) 2.404 2.404 1.223 weight 1.000 ! spec=HNH, no=1321, id=1313, vol=6.880000e+07
assign (resid 103 and name HN) (resid 103 and name HB2) 2.404 2.404 1.222 weight 1.000 ! spec=HNH, no=1322, id=1314, vol=6.880000e+07
    or (resid  103 and name   HN) (resid  103 and name  HB1)
    or (resid  103 and name   HN) (resid  103 and name  HB3)
assign (resid 42 and name HN) (resid 42 and name HB1) 2.401 2.401 1.221 weight 1.000 ! spec=HNH, no=1323, id=1315, vol=6.940000e+07
assign (resid 113 and name HN) (resid 113 and name HB1) 2.396 2.396 1.218 weight 1.000 ! spec=HNH, no=1325, id=1317, vol=7.020000e+07
assign (resid 12 and name HN) (resid 11 and name HB2) 2.396 2.396 1.218 weight 1.000 ! spec=HNH, no=1326, id=1318, vol=7.020000e+07
    or (resid   12 and name   HN) (resid   11 and name  HB1)
assign (resid 50 and name HN) (resid 51 and name HN) 2.395 2.395 1.217 weight 1.000 ! spec=HNH, no=1327, id=1319, vol=7.040000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.395 2.395 1.217 weight 1.000 ! spec=HNH, no=1328, id=1320, vol=7.040000e+07
assign (resid 100 and name HN) (resid 99 and name HA) 2.394 2.394 1.216 weight 1.000 ! spec=HNH, no=1329, id=1321, vol=7.060000e+07
assign (resid 113 and name HN) (resid 113 and name HB2) 2.391 2.391 1.214 weight 1.000 ! spec=HNH, no=1332, id=1324, vol=7.120000e+07
assign (resid 85 and name HN) (resid 84 and name HG21) 2.390 2.390 1.214 weight 1.000 ! spec=HNH, no=1333, id=1325, vol=7.120000e+07
    or (resid   85 and name   HN) (resid   84 and name HG22)
    or (resid   85 and name   HN) (resid   84 and name HG23)
assign (resid 65 and name HN) (resid 120 and name HA) 2.390 2.390 1.214 weight 1.000 ! spec=HNH, no=1334, id=1326, vol=7.120000e+07
assign (resid 51 and name HN) (resid 51 and name HA) 2.389 2.389 1.214 weight 1.000 ! spec=HNH, no=1336, id=1328, vol=7.140000e+07
assign (resid 27 and name HN) (resid 27 and name HB2) 2.387 2.387 1.212 weight 1.000 ! spec=HNH, no=1340, id=1332, vol=7.190000e+07
assign (resid 55 and name HN) (resid 54 and name HN) 2.387 2.387 1.212 weight 1.000 ! spec=HNH, no=1341, id=1333, vol=7.190000e+07
assign (resid 64 and name HN) (resid 63 and name HA) 2.386 2.386 1.212 weight 1.000 ! spec=HNH, no=1342, id=1334, vol=7.190000e+07
assign (resid 99 and name HN) (resid 99 and name HB1) 2.386 2.386 1.212 weight 1.000 ! spec=HNH, no=1343, id=1335, vol=7.200000e+07
assign (resid 48 and name HN) (resid 48 and name HA) 2.385 2.385 1.211 weight 1.000 ! spec=HNH, no=1345, id=1337, vol=7.220000e+07
assign (resid 82 and name HN) (resid 82 and name HA1) 2.384 2.384 1.211 weight 1.000 ! spec=HNH, no=1346, id=1338, vol=7.230000e+07
assign (resid 50 and name HN) (resid 49 and name HN) 2.381 2.381 1.209 weight 1.000 ! spec=HNH, no=1349, id=1341, vol=7.290000e+07
assign (resid 63 and name HN) (resid 63 and name HB2) 2.374 2.374 1.205 weight 1.000 ! spec=HNH, no=1351, id=1343, vol=7.420000e+07
assign (resid 85 and name HN) (resid 85 and name HB2) 2.374 2.374 1.205 weight 1.000 ! spec=HNH, no=1352, id=1344, vol=7.420000e+07
assign (resid 55 and name HN) (resid 55 and name HA) 2.373 2.373 1.204 weight 1.000 ! spec=HNH, no=1353, id=1345, vol=7.440000e+07
assign (resid 123 and name HE21) (resid 123 and name HG1) 2.365 2.365 1.199 weight 1.000 ! spec=HNH, no=1354, id=1346, vol=7.600000e+07
assign (resid 8 and name HN) (resid 8 and name HB1) 2.363 2.363 1.198 weight 1.000 ! spec=HNH, no=1355, id=1347, vol=7.630000e+07
assign (resid 52 and name HN) (resid 53 and name HN) 2.362 2.362 1.197 weight 1.000 ! spec=HNH, no=1356, id=1348, vol=7.650000e+07
assign (resid 126 and name HN) (resid 16 and name HG1) 2.362 2.362 1.197 weight 1.000 ! spec=HNH, no=1357, id=1349, vol=7.650000e+07
assign (resid 88 and name HN) (resid 88 and name HB2) 2.361 2.361 1.197 weight 1.000 ! spec=HNH, no=1358, id=1350, vol=7.660000e+07
    or (resid   88 and name   HN) (resid   88 and name  HB1)
assign (resid 24 and name HN) (resid 23 and name HG12) 2.353 2.353 1.192 weight 1.000 ! spec=HNH, no=1360, id=1352, vol=7.830000e+07
    or (resid   24 and name   HN) (resid   23 and name HG11)
    or (resid   24 and name   HN) (resid   23 and name HG13)
assign (resid 125 and name HN) (resid 125 and name HB1) 2.351 2.351 1.191 weight 1.000 ! spec=HNH, no=1361, id=1353, vol=7.870000e+07
assign (resid 52 and name HN) (resid 51 and name HB2) 2.350 2.350 1.191 weight 1.000 ! spec=HNH, no=1362, id=1354, vol=7.880000e+07
    or (resid   52 and name   HN) (resid   51 and name  HB1)
assign (resid 123 and name HN) (resid 122 and name HA) 2.350 2.350 1.191 weight 1.000 ! spec=HNH, no=1363, id=1355, vol=7.880000e+07
assign (resid 93 and name HN) (resid 92 and name HA) 2.349 2.349 1.19 weight 1.000 ! spec=HNH, no=1366, id=1358, vol=7.910000e+07
assign (resid 111 and name HN) (resid 110 and name HB) 2.347 2.347 1.189 weight 1.000 ! spec=HNH, no=1368, id=1360, vol=7.940000e+07
assign (resid 99 and name HN) (resid 98 and name HB2) 2.346 2.346 1.188 weight 1.000 ! spec=HNH, no=1370, id=1362, vol=7.980000e+07
assign (resid 38 and name HN) (resid 38 and name HA1) 2.344 2.344 1.187 weight 1.000 ! spec=HNH, no=1371, id=1363, vol=8.010000e+07
assign (resid 45 and name HN) (resid 46 and name HN) 2.337 2.337 1.183 weight 1.000 ! spec=HNH, no=1375, id=1367, vol=8.160000e+07
assign (resid 62 and name HN) (resid 62 and name HB2) 2.336 2.336 1.182 weight 1.000 ! spec=HNH, no=1376, id=1368, vol=8.180000e+07
    or (resid   62 and name   HN) (resid   62 and name  HB1)
assign (resid 30 and name HN) (resid 30 and name HA2) 2.332 2.332 1.18 weight 1.000 ! spec=HNH, no=1378, id=1370, vol=8.260000e+07
assign (resid 112 and name HN) (resid 111 and name HA) 2.328 2.328 1.177 weight 1.000 ! spec=HNH, no=1381, id=1373, vol=8.350000e+07
assign (resid 108 and name HN) (resid 108 and name HB2) 2.327 2.327 1.177 weight 1.000 ! spec=HNH, no=1382, id=1374, vol=8.360000e+07
    or (resid  108 and name   HN) (resid  108 and name  HB1)
assign (resid 108 and name HN) (resid 108 and name HA) 2.324 2.324 1.175 weight 1.000 ! spec=HNH, no=1384, id=1376, vol=8.430000e+07
assign (resid 104 and name HN) (resid 104 and name HB) 2.324 2.324 1.175 weight 1.000 ! spec=HNH, no=1385, id=1377, vol=8.440000e+07
assign (resid 31 and name HN) (resid 31 and name HB2) 2.323 2.323 1.175 weight 1.000 ! spec=HNH, no=1386, id=1378, vol=8.450000e+07
assign (resid 16 and name HN) (resid 16 and name HB2) 2.321 2.321 1.173 weight 1.000 ! spec=HNH, no=1387, id=1379, vol=8.500000e+07
assign (resid 49 and name HN) (resid 48 and name HN) 2.320 2.320 1.173 weight 1.000 ! spec=HNH, no=1388, id=1380, vol=8.530000e+07
assign (resid 107 and name HN) (resid 106 and name HA2) 2.317 2.317 1.171 weight 1.000 ! spec=HNH, no=1392, id=1384, vol=8.580000e+07
assign (resid 51 and name HN) (resid 51 and name HG2) 2.316 2.316 1.171 weight 1.000 ! spec=HNH, no=1393, id=1385, vol=8.610000e+07
assign (resid 36 and name HN) (resid 35 and name HB2) 2.314 2.314 1.169 weight 1.000 ! spec=HNH, no=1394, id=1386, vol=8.660000e+07
assign (resid 119 and name HN) (resid 118 and name HA) 2.313 2.313 1.169 weight 1.000 ! spec=HNH, no=1397, id=1389, vol=8.680000e+07
assign (resid 104 and name HN) (resid 103 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HNH, no=1399, id=1391, vol=8.720000e+07
assign (resid 54 and name HN) (resid 54 and name HA) 2.311 2.311 1.167 weight 1.000 ! spec=HNH, no=1400, id=1392, vol=8.730000e+07
assign (resid 106 and name HN) (resid 105 and name HA) 2.311 2.311 1.167 weight 1.000 ! spec=HNH, no=1401, id=1393, vol=8.730000e+07
assign (resid 92 and name HN) (resid 92 and name HB) 2.310 2.310 1.167 weight 1.000 ! spec=HNH, no=1402, id=1394, vol=8.730000e+07
assign (resid 77 and name HN) (resid 76 and name HA) 2.306 2.306 1.165 weight 1.000 ! spec=HNH, no=1404, id=1396, vol=8.830000e+07
assign (resid 31 and name HN) (resid 31 and name HB1) 2.306 2.306 1.165 weight 1.000 ! spec=HNH, no=1405, id=1397, vol=8.840000e+07
assign (resid 79 and name HE1) (resid 79 and name HD1) 2.301 2.301 1.162 weight 1.000 ! spec=HNH, no=1407, id=1399, vol=8.940000e+07
assign (resid 52 and name HN) (resid 52 and name HB1) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1409, id=1401, vol=9.090000e+07
assign (resid 50 and name HN) (resid 50 and name HB2) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1410, id=1402, vol=9.100000e+07
assign (resid 115 and name HN) (resid 116 and name HN) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1411, id=1403, vol=9.100000e+07
assign (resid 29 and name HN) (resid 29 and name HB2) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1413, id=1405, vol=9.140000e+07
    or (resid   29 and name   HN) (resid   29 and name  HB1)
assign (resid 78 and name HN) (resid 77 and name HA) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1414, id=1406, vol=9.140000e+07
assign (resid 106 and name HN) (resid 106 and name HA1) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1415, id=1407, vol=9.140000e+07
assign (resid 54 and name HN) (resid 54 and name HD22) 2.292 2.292 1.156 weight 1.000 ! spec=HNH, no=1416, id=1408, vol=9.180000e+07
    or (resid   54 and name   HN) (resid   54 and name HD21)
    or (resid   54 and name   HN) (resid   54 and name HD23)
assign (resid 55 and name HN) (resid 56 and name HN) 2.289 2.289 1.155 weight 1.000 ! spec=HNH, no=1418, id=1410, vol=9.240000e+07
assign (resid 101 and name HN) (resid 100 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HNH, no=1420, id=1412, vol=9.270000e+07
assign (resid 25 and name HN) (resid 24 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HNH, no=1421, id=1413, vol=9.280000e+07
assign (resid 11 and name HN) (resid 10 and name HA) 2.285 2.285 1.153 weight 1.000 ! spec=HNH, no=1422, id=1414, vol=9.340000e+07
assign (resid 42 and name HN) (resid 41 and name HA) 2.285 2.285 1.152 weight 1.000 ! spec=HNH, no=1424, id=1416, vol=9.340000e+07
assign (resid 69 and name HN) (resid 68 and name HA) 2.279 2.279 1.149 weight 1.000 ! spec=HNH, no=1425, id=1417, vol=9.490000e+07
assign (resid 34 and name HN) (resid 33 and name HB1) 2.279 2.279 1.149 weight 1.000 ! spec=HNH, no=1426, id=1418, vol=9.490000e+07
assign (resid 26 and name HN) (resid 25 and name HA) 2.277 2.277 1.148 weight 1.000 ! spec=HNH, no=1427, id=1419, vol=9.530000e+07
assign (resid 102 and name HN) (resid 101 and name HA) 2.277 2.277 1.148 weight 1.000 ! spec=HNH, no=1428, id=1420, vol=9.540000e+07
assign (resid 38 and name HN) (resid 37 and name HN) 2.268 2.268 1.143 weight 1.000 ! spec=HNH, no=1431, id=1423, vol=9.770000e+07
assign (resid 20 and name HN) (resid 19 and name HA) 2.268 2.268 1.143 weight 1.000 ! spec=HNH, no=1432, id=1424, vol=9.770000e+07
assign (resid 72 and name HN) (resid 72 and name HG) 2.264 2.264 1.141 weight 1.000 ! spec=HNH, no=1434, id=1426, vol=9.860000e+07
assign (resid 85 and name HN) (resid 84 and name HA) 2.264 2.264 1.141 weight 1.000 ! spec=HNH, no=1435, id=1427, vol=9.860000e+07
assign (resid 43 and name HN) (resid 42 and name HA) 2.262 2.262 1.14 weight 1.000 ! spec=HNH, no=1437, id=1429, vol=9.910000e+07
assign (resid 103 and name HN) (resid 102 and name HA) 2.252 2.252 1.134 weight 1.000 ! spec=HNH, no=1439, id=1431, vol=1.020000e+08
assign (resid 118 and name HN) (resid 117 and name HA) 2.248 2.248 1.132 weight 1.000 ! spec=HNH, no=1441, id=1433, vol=1.030000e+08
assign (resid 102 and name HN) (resid 102 and name HB2) 2.246 2.246 1.131 weight 1.000 ! spec=HNH, no=1442, id=1434, vol=1.030000e+08
    or (resid  102 and name   HN) (resid  102 and name  HB1)
    or (resid  102 and name   HN) (resid  102 and name  HB3)
assign (resid 107 and name HN) (resid 108 and name HN) 2.242 2.242 1.128 weight 1.000 ! spec=HNH, no=1444, id=1436, vol=1.050000e+08
assign (resid 19 and name HN) (resid 18 and name HA) 2.242 2.242 1.128 weight 1.000 ! spec=HNH, no=1445, id=1437, vol=1.050000e+08
assign (resid 18 and name HN) (resid 17 and name HA) 2.238 2.238 1.126 weight 1.000 ! spec=HNH, no=1446, id=1438, vol=1.060000e+08
assign (resid 39 and name HN) (resid 39 and name HB2) 2.228 2.228 1.121 weight 1.000 ! spec=HNH, no=1448, id=1440, vol=1.090000e+08
    or (resid   39 and name   HN) (resid   39 and name  HB1)
    or (resid   39 and name   HN) (resid   39 and name  HB3)
assign (resid 122 and name HN) (resid 121 and name HA) 2.224 2.224 1.118 weight 1.000 ! spec=HNH, no=1449, id=1441, vol=1.100000e+08
assign (resid 32 and name HN) (resid 32 and name HB) 2.222 2.222 1.117 weight 1.000 ! spec=HNH, no=1450, id=1442, vol=1.110000e+08
assign (resid 90 and name HN) (resid 89 and name HN) 2.221 2.221 1.117 weight 1.000 ! spec=HNH, no=1451, id=1443, vol=1.110000e+08
assign (resid 17 and name HN) (resid 16 and name HA) 2.220 2.220 1.116 weight 1.000 ! spec=HNH, no=1452, id=1444, vol=1.110000e+08
assign (resid 71 and name HN) (resid 70 and name HA) 2.220 2.220 1.116 weight 1.000 ! spec=HNH, no=1453, id=1445, vol=1.110000e+08
assign (resid 105 and name HN) (resid 104 and name HA) 2.217 2.217 1.114 weight 1.000 ! spec=HNH, no=1455, id=1447, vol=1.120000e+08
assign (resid 53 and name HN) (resid 53 and name HB2) 2.216 2.216 1.114 weight 1.000 ! spec=HNH, no=1457, id=1449, vol=1.120000e+08
assign (resid 46 and name HN) (resid 44 and name HG22) 2.214 2.214 1.113 weight 1.000 ! spec=HNH, no=1458, id=1450, vol=1.130000e+08
    or (resid   46 and name   HN) (resid   44 and name HG21)
    or (resid   46 and name   HN) (resid   44 and name HG23)
assign (resid 84 and name HN) (resid 83 and name HA) 2.210 2.210 1.111 weight 1.000 ! spec=HNH, no=1459, id=1451, vol=1.140000e+08
assign (resid 63 and name HN) (resid 62 and name HA) 2.207 2.207 1.109 weight 1.000 ! spec=HNH, no=1461, id=1453, vol=1.150000e+08
assign (resid 113 and name HN) (resid 112 and name HA) 2.203 2.203 1.107 weight 1.000 ! spec=HNH, no=1463, id=1455, vol=1.160000e+08
assign (resid 11 and name HN) (resid 11 and name HB2) 2.201 2.201 1.106 weight 1.000 ! spec=HNH, no=1464, id=1456, vol=1.170000e+08
    or (resid   11 and name   HN) (resid   11 and name  HB1)
assign (resid 13 and name HN) (resid 12 and name HA) 2.197 2.197 1.103 weight 1.000 ! spec=HNH, no=1465, id=1457, vol=1.180000e+08
assign (resid 124 and name HN) (resid 123 and name HA) 2.196 2.196 1.103 weight 1.000 ! spec=HNH, no=1466, id=1458, vol=1.180000e+08
assign (resid 57 and name HN) (resid 57 and name HB) 2.194 2.194 1.102 weight 1.000 ! spec=HNH, no=1467, id=1459, vol=1.190000e+08
assign (resid 56 and name HN) (resid 56 and name HB2) 2.194 2.194 1.102 weight 1.000 ! spec=HNH, no=1468, id=1460, vol=1.190000e+08
    or (resid   56 and name   HN) (resid   56 and name  HB1)
assign (resid 8 and name HN) (resid 7 and name HA) 2.191 2.191 1.1 weight 1.000 ! spec=HNH, no=1469, id=1461, vol=1.200000e+08
assign (resid 91 and name HN) (resid 91 and name HB2) 2.191 2.191 1.1 weight 1.000 ! spec=HNH, no=1470, id=1462, vol=1.200000e+08
    or (resid   91 and name   HN) (resid   91 and name  HB1)
assign (resid 81 and name HD21) (resid 81 and name HD22) 2.183 2.183 1.096 weight 1.000 ! spec=HNH, no=1471, id=1463, vol=1.230000e+08
assign (resid 99 and name HN) (resid 98 and name HA) 2.183 2.183 1.096 weight 1.000 ! spec=HNH, no=1472, id=1464, vol=1.230000e+08
assign (resid 52 and name HN) (resid 52 and name HB2) 2.182 2.182 1.095 weight 1.000 ! spec=HNH, no=1473, id=1465, vol=1.230000e+08
assign (resid 12 and name HN) (resid 12 and name HB2) 2.181 2.181 1.095 weight 1.000 ! spec=HNH, no=1474, id=1466, vol=1.230000e+08
    or (resid   12 and name   HN) (resid   12 and name  HB1)
assign (resid 63 and name HN) (resid 62 and name HB2) 2.180 2.180 1.094 weight 1.000 ! spec=HNH, no=1475, id=1467, vol=1.240000e+08
    or (resid   63 and name   HN) (resid   62 and name  HB1)
assign (resid 45 and name HN) (resid 44 and name HA) 2.179 2.179 1.093 weight 1.000 ! spec=HNH, no=1476, id=1468, vol=1.240000e+08
assign (resid 114 and name HN) (resid 113 and name HA) 2.178 2.178 1.093 weight 1.000 ! spec=HNH, no=1477, id=1469, vol=1.240000e+08
assign (resid 118 and name HD21) (resid 118 and name HD22) 2.159 2.159 1.083 weight 1.000 ! spec=HNH, no=1482, id=1473, vol=1.310000e+08
assign (resid 52 and name HN) (resid 52 and name HA) 2.152 2.152 1.079 weight 1.000 ! spec=HNH, no=1484, id=1474, vol=1.340000e+08
assign (resid 125 and name HN) (resid 124 and name HA) 2.151 2.151 1.078 weight 1.000 ! spec=HNH, no=1486, id=1476, vol=1.340000e+08
assign (resid 23 and name HN) (resid 23 and name HG22) 2.147 2.147 1.076 weight 1.000 ! spec=HNH, no=1487, id=1477, vol=1.350000e+08
    or (resid   23 and name   HN) (resid   23 and name HG21)
    or (resid   23 and name   HN) (resid   23 and name HG23)
assign (resid 109 and name HN) (resid 108 and name HB2) 2.139 2.139 1.072 weight 1.000 ! spec=HNH, no=1488, id=1478, vol=1.390000e+08
    or (resid  109 and name   HN) (resid  108 and name  HB1)
assign (resid 21 and name HN) (resid 20 and name HA) 2.130 2.130 1.067 weight 1.000 ! spec=HNH, no=1489, id=1479, vol=1.420000e+08
assign (resid 28 and name HN) (resid 28 and name HB2) 2.129 2.129 1.067 weight 1.000 ! spec=HNH, no=1490, id=1480, vol=1.420000e+08
assign (resid 55 and name HN) (resid 55 and name HB2) 2.128 2.128 1.066 weight 1.000 ! spec=HNH, no=1492, id=1482, vol=1.430000e+08
assign (resid 117 and name HN) (resid 117 and name HB2) 2.126 2.126 1.065 weight 1.000 ! spec=HNH, no=1493, id=1483, vol=1.440000e+08
    or (resid  117 and name   HN) (resid  117 and name  HB1)
assign (resid 6 and name HN) (resid 5 and name HA) 2.113 2.113 1.058 weight 1.000 ! spec=HNH, no=1495, id=1485, vol=1.490000e+08
assign (resid 126 and name HN) (resid 125 and name HA) 2.110 2.110 1.056 weight 1.000 ! spec=HNH, no=1496, id=1486, vol=1.510000e+08
assign (resid 72 and name HN) (resid 71 and name HA) 2.103 2.103 1.053 weight 1.000 ! spec=HNH, no=1498, id=1488, vol=1.540000e+08
assign (resid 110 and name HN) (resid 109 and name HA) 2.096 2.096 1.049 weight 1.000 ! spec=HNH, no=1500, id=1490, vol=1.570000e+08
assign (resid 4 and name HN) (resid 3 and name HA) 2.083 2.083 1.042 weight 1.000 ! spec=HNH, no=1502, id=1492, vol=1.630000e+08
assign (resid 117 and name HN) (resid 116 and name HA) 2.076 2.076 1.039 weight 1.000 ! spec=HNH, no=1503, id=1493, vol=1.660000e+08
assign (resid 24 and name HN) (resid 23 and name HB) 2.073 2.073 1.037 weight 1.000 ! spec=HNH, no=1504, id=1494, vol=1.670000e+08
assign (resid 36 and name HN) (resid 36 and name HA1) 2.070 2.070 1.035 weight 1.000 ! spec=HNH, no=1506, id=1496, vol=1.690000e+08
assign (resid 96 and name HN) (resid 95 and name HA) 2.067 2.067 1.034 weight 1.000 ! spec=HNH, no=1507, id=1497, vol=1.700000e+08
assign (resid 35 and name HN) (resid 35 and name HB2) 2.067 2.067 1.034 weight 1.000 ! spec=HNH, no=1508, id=1498, vol=1.700000e+08
assign (resid 26 and name HN) (resid 26 and name HG21) 2.056 2.056 1.028 weight 1.000 ! spec=HNH, no=1510, id=1500, vol=1.760000e+08
    or (resid   26 and name   HN) (resid   26 and name HG22)
    or (resid   26 and name   HN) (resid   26 and name HG23)
assign (resid 12 and name HN) (resid 11 and name HA) 2.047 2.047 1.024 weight 1.000 ! spec=HNH, no=1511, id=1501, vol=1.810000e+08
assign (resid 51 and name HN) (resid 51 and name HB2) 2.013 2.013 1.007 weight 1.000 ! spec=HNH, no=1516, id=1504, vol=1.990000e+08
    or (resid   51 and name   HN) (resid   51 and name  HB1)
assign (resid 24 and name HN) (resid 23 and name HA) 2.013 2.013 1.006 weight 1.000 ! spec=HNH, no=1517, id=1505, vol=2.000000e+08
assign (resid 54 and name HN) (resid 54 and name HG) 1.992 1.992 0.996 weight 1.000 ! spec=HNH, no=1520, id=1508, vol=2.130000e+08
assign (resid 123 and name HE21) (resid 123 and name HE22) 1.979 1.979 0.989 weight 1.000 ! spec=HNH, no=1526, id=1514, vol=2.210000e+08
assign (resid 92 and name HN) (resid 91 and name HA) 1.978 1.978 0.989 weight 1.000 ! spec=HNH, no=1527, id=1515, vol=2.220000e+08
assign (resid 25 and name HD21) (resid 25 and name HD22) 1.973 1.973 0.986 weight 1.000 ! spec=HNH, no=1528, id=1516, vol=2.260000e+08
assign (resid 91 and name HN) (resid 90 and name HA) 1.961 1.961 0.981 weight 1.000 ! spec=HNH, no=1531, id=1519, vol=2.340000e+08
assign (resid 48 and name HN) (resid 48 and name HB2) 1.958 1.958 0.979 weight 1.000 ! spec=HNH, no=1532, id=1520, vol=2.360000e+08
    or (resid   48 and name   HN) (resid   48 and name  HB1)
assign (resid 86 and name HD22) (resid 86 and name HD21) 1.866 1.866 0.935 weight 1.000 ! spec=HNH, no=1555, id=1536, vol=3.150000e+08
assign (resid 62 and name HD22) (resid 62 and name HD21) 1.816 1.816 0.912 weight 1.000 ! spec=HNH, no=1569, id=1548, vol=3.700000e+08
assign (resid 35 and name HN) (resid 34 and name HN) 1.728 1.728 0.873 weight 1.000 ! spec=HNH, no=1587, id=1565, vol=5.000000e+08
assign (resid 135 and name HN) (resid 136 and name HN) 1.709 1.709 0.865 weight 1.000 ! spec=HNH, no=1593, id=1570, vol=5.340000e+08
assign (resid 98 and name HD22) (resid 98 and name HD21) 1.706 1.706 0.864 weight 1.000 ! spec=HNH, no=1595, id=1572, vol=5.400000e+08
assign (resid 47 and name HE21) (resid 47 and name HE22) 1.619 1.619 0.827 weight 1.000 ! spec=HNH, no=1618, id=1594, vol=7.390000e+08
assign (resid 115 and name HD21) (resid 115 and name HD22) 1.587 1.587 0.815 weight 1.000 ! spec=HNH, no=1623, id=1599, vol=8.320000e+08
assign (resid 8 and name HE22) (resid 8 and name HE21) 1.550 1.550 0.8 weight 1.000 ! spec=HNH, no=1631, id=1607, vol=9.590000e+08
assign (resid 62 and name HD22) (resid 22 and name HE22) 1.413 1.413 0.75 weight 1.000 ! spec=HNH, no=1637, id=1613, vol=1.670000e+09

! hydrogen bond restraints

assign (residue 17 and name HN) (residue 124 and name O)  1.80  0.00  0.50
assign (residue 17 and name  N) (residue 124 and name O)  2.80  0.00  0.40

assign (residue 19 and name HN) (residue 122 and name O)  1.80  0.00  0.50
assign (residue 19 and name  N) (residue 122 and name O)  2.80  0.00  0.40

assign (residue 21 and name HN) (residue 120 and name O)  1.80  0.00  0.50
assign (residue 21 and name  N) (residue 120 and name O)  2.80  0.00  0.40

assign (residue 25 and name HN) (residue 118 and name O)  1.80  0.00  0.50
assign (residue 25 and name  N) (residue 118 and name O)  2.80  0.00  0.40

assign (residue 31 and name HN) (residue 27 and name O)  1.80  0.00  0.50
assign (residue 31 and name  N) (residue 27 and name O)  2.80  0.00  0.40

assign (residue 32 and name HN) (residue 28 and name O)  1.80  0.00  0.50
assign (residue 32 and name  N) (residue 28 and name O)  2.80  0.00  0.40

assign (residue 33 and name HN) (residue 29 and name O)  1.80  0.00  0.50
assign (residue 33 and name  N) (residue 29 and name O)  2.80  0.00  0.40

assign (residue 34 and name HN) (residue 30 and name O)  1.80  0.00  0.50
assign (residue 34 and name  N) (residue 30 and name O)  2.80  0.00  0.40

assign (residue 35 and name HN) (residue 31 and name O)  1.80  0.00  0.50
assign (residue 35 and name  N) (residue 31 and name O)  2.80  0.00  0.40

assign (residue 40 and name HN) (residue 123 and name O)  1.80  0.00  0.50
assign (residue 40 and name  N) (residue 123 and name O)  2.80  0.00  0.40

assign (residue 51 and name HN) (residue 47 and name O)  1.80  0.00  0.50
assign (residue 51 and name  N) (residue 47 and name O)  2.80  0.00  0.40

assign (residue 52 and name HN) (residue 49 and name O)  1.80  0.00  0.50
assign (residue 52 and name  N) (residue 49 and name O)  2.80  0.00  0.40

assign (residue 54 and name HN) (residue 50 and name O)  1.80  0.00  0.50
assign (residue 54 and name  N) (residue 50 and name O)  2.80  0.00  0.40

assign (residue 55 and name HN) (residue 51 and name O)  1.80  0.00  0.50
assign (residue 55 and name  N) (residue 51 and name O)  2.80  0.00  0.40

assign (residue 56 and name HN) (residue 52 and name O)  1.80  0.00  0.50
assign (residue 56 and name  N) (residue 52 and name O)  2.80  0.00  0.40

assign (residue 64 and name HN) (residue 104 and name O)  1.80  0.00  0.50
assign (residue 64 and name  N) (residue 104 and name O)  2.80  0.00  0.40

assign (residue 65 and name HN) (residue 119 and name O)  1.80  0.00  0.50
assign (residue 65 and name  N) (residue 119 and name O)  2.80  0.00  0.40

assign (residue 66 and name HN) (residue 102 and name O)  1.80  0.00  0.50
assign (residue 66 and name  N) (residue 102 and name O)  2.80  0.00  0.40

assign (residue 69 and name HN) (residue 78 and name O)  1.80  0.00  0.50
assign (residue 69 and name  N) (residue 78 and name O)  2.80  0.00  0.40

assign (residue 78 and name HN) (residue 69 and name O)  1.80  0.00  0.50
assign (residue 78 and name  N) (residue 69 and name O)  2.80  0.00  0.40

assign (residue 101 and name HN) (residue 112 and name O)  1.80  0.00  0.50
assign (residue 101 and name  N) (residue 112 and name O)  2.80  0.00  0.40

assign (residue 102 and name HN) (residue 68 and name O)  1.80  0.00  0.50
assign (residue 102 and name  N) (residue 68 and name O)  2.80  0.00  0.40

assign (residue 103 and name HN) (residue 110 and name O)  1.80  0.00  0.50
assign (residue 103 and name  N) (residue 110 and name O)  2.80  0.00  0.40

assign (residue 104 and name HN) (residue 64 and name O)  1.80  0.00  0.50
assign (residue 104 and name  N) (residue 64 and name O)  2.80  0.00  0.40

assign (residue 110 and name HN) (residue 103 and name O)  1.80  0.00  0.50
assign (residue 110 and name  N) (residue 103 and name O)  2.80  0.00  0.40

assign (residue 112 and name HN) (residue 101 and name O)  1.80  0.00  0.50
assign (residue 112 and name  N) (residue 101 and name O)  2.80  0.00  0.40

assign (residue 120 and name HN) (residue 21 and name O)  1.80  0.00  0.50
assign (residue 120 and name  N) (residue 21 and name O)  2.80  0.00  0.40

assign (residue 121 and name HN) (residue 65 and name O)  1.80  0.00  0.50
assign (residue 121 and name  N) (residue 65 and name O)  2.80  0.00  0.40

assign (residue 122 and name HN) (residue 19 and name O)  1.80  0.00  0.50
assign (residue 122 and name  N) (residue 19 and name O)  2.80  0.00  0.40

assign (residue 123 and name HN) (residue 40 and name O)  1.80  0.00  0.50
assign (residue 123 and name  N) (residue 40 and name O)  2.80  0.00  0.40

! torsion angles phi/psi derived using TALOS+

! 1. c 6 Phi -87.31 +/- 55.00 (-142.31 to -32.31)

assign (resid   5 and name  C) (resid   6 and name  N) 
       (resid   6 and name CA) (resid   6 and name  C) 1.0   -87.31    55.00 2

! 2. P 7 Phi -62.21 +/- 13.94 (-76.15 to -48.27)

assign (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -62.21    13.94 2

! 3. Q 8 Phi -48.19 +/- 18.49 (-66.68 to -29.70)

assign (resid   7 and name  C) (resid   8 and name  N) 
       (resid   8 and name CA) (resid   8 and name  C) 1.0   -48.19    18.49 2

! 4. D 9 Phi -86.02 +/- 27.32 (-113.34 to -58.70)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -86.02    27.32 2

! 5. S 12 Phi -113.24 +/- 52.95 (-166.19 to -60.29)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0  -113.24    52.95 2

! 6. H 13 Phi -136.30 +/- 59.79 (-196.09 to -76.51)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0  -136.30    59.79 2

! 7. K 16 Phi -132.88 +/- 44.57 (-177.45 to -88.31)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0  -132.88    44.57 2

! 8. c 17 Phi -116.16 +/- 33.78 (-149.94 to -82.38)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0  -116.16    33.78 2

! 9. F 18 Phi -128.50 +/- 16.55 (-145.05 to -111.95)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0  -128.50    16.55 2

! 10. H 19 Phi -103.13 +/- 43.72 (-146.85 to -59.41)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0  -103.13    43.72 2

! 11. V 20 Phi -109.18 +/- 48.63 (-157.81 to -60.55)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0  -109.18    48.63 2

! 12. S 21 Phi -65.59 +/- 11.39 (-76.98 to -54.20)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -65.59    11.39 2

! 13. Q 22 Phi -94.90 +/- 36.31 (-131.20 to -58.59)
!
!assign (resid  21 and name  C) (resid  22 and name  N) 
!       (resid  22 and name CA) (resid  22 and name  C) 1.0   -94.90    36.31 2

! 14. V 23 Phi -122.32 +/- 46.27 (-168.59 to -76.04)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0  -122.32    46.27 2

! 15. S 24 Phi -120.92 +/- 31.89 (-152.81 to -89.02)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0  -120.92    31.89 2

! 16. N 25 Phi -123.13 +/- 50.56 (-173.69 to -72.57)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0  -123.13    50.56 2

! 17. T 26 Phi -81.60 +/- 15.00 (-96.60 to -66.60)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -81.60    15.00 2

! 18. W 27 Phi -59.37 +/- 14.16 (-73.53 to -45.21)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -59.37    14.16 2

! 19. E 28 Phi -60.13 +/- 7.38 (-67.51 to -52.76)

assign (resid  27 and name  C) (resid  28 and name  N) 
       (resid  28 and name CA) (resid  28 and name  C) 1.0   -60.13     7.38 2

! 20. E 29 Phi -66.71 +/- 7.08 (-73.79 to -59.63)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0   -66.71     7.08 2

! 21. G 30 Phi -64.65 +/- 9.95 (-74.60 to -54.71)

assign (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (resid  30 and name  C) 1.0   -64.65     9.95 2

! 22. L 31 Phi -61.16 +/- 5.36 (-66.52 to -55.80)

assign (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (resid  31 and name  C) 1.0   -61.16     5.36 2

! 23. V 32 Phi -63.35 +/- 4.67 (-68.02 to -58.69)

assign (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (resid  32 and name  C) 1.0   -63.35     4.67 2

! 24. D 33 Phi -65.56 +/- 9.78 (-75.34 to -55.79)

assign (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (resid  33 and name  C) 1.0   -65.56     9.78 2

! 25. c 34 Phi -64.82 +/- 9.99 (-74.81 to -54.83)

assign (resid  33 and name  C) (resid  34 and name  N) 
       (resid  34 and name CA) (resid  34 and name  C) 1.0   -64.82     9.99 2

! 26. D 35 Phi -63.94 +/- 13.01 (-76.95 to -50.92)

assign (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (resid  35 and name  C) 1.0   -63.94    13.01 2

! 27. G 36 Phi -65.03 +/- 14.73 (-79.76 to -50.30)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0   -65.03    14.73 2

! 28. K 37 Phi -96.15 +/- 27.31 (-123.46 to -68.85)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0   -96.15    27.31 2

! 29. A 39 Phi -123.26 +/- 36.65 (-159.91 to -86.61)

assign (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (resid  39 and name  C) 1.0  -123.26    36.65 2

! 30. T 40 Phi -130.71 +/- 29.59 (-160.29 to -101.12)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0  -130.71    29.59 2

! 31. I 44 Phi -104.12 +/- 60.61 (-164.73 to -43.51)

assign (resid  43 and name  C) (resid  44 and name  N) 
       (resid  44 and name CA) (resid  44 and name  C) 1.0  -104.12    60.61 2

! 32. Q 45 Phi -84.86 +/- 25.39 (-110.26 to -59.47)

assign (resid  44 and name  C) (resid  45 and name  N) 
       (resid  45 and name CA) (resid  45 and name  C) 1.0   -84.86    25.39 2

! 33. D 46 Phi -157.14 +/- 19.77 (-176.91 to -137.37)

assign (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0  -157.14    19.77 2

! 34. Q 47 Phi -64.74 +/- 15.90 (-80.64 to -48.84)

assign (resid  46 and name  C) (resid  47 and name  N) 
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -64.74    15.90 2

! 35. E 48 Phi -69.12 +/- 10.39 (-79.50 to -58.73)

assign (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (resid  48 and name  C) 1.0   -69.12    10.39 2

! 36. E 49 Phi -62.83 +/- 9.73 (-72.56 to -53.10)

assign (resid  48 and name  C) (resid  49 and name  N) 
       (resid  49 and name CA) (resid  49 and name  C) 1.0   -62.83     9.73 2

! 37. L 50 Phi -64.64 +/- 7.88 (-72.52 to -56.75)

assign (resid  49 and name  C) (resid  50 and name  N) 
       (resid  50 and name CA) (resid  50 and name  C) 1.0   -64.64     7.88 2

! 38. R 51 Phi -62.68 +/- 15.88 (-78.55 to -46.80)

assign (resid  50 and name  C) (resid  51 and name  N) 
       (resid  51 and name CA) (resid  51 and name  C) 1.0   -62.68    15.88 2

! 39. F 52 Phi -62.45 +/- 10.82 (-73.27 to -51.63)

assign (resid  51 and name  C) (resid  52 and name  N) 
       (resid  52 and name CA) (resid  52 and name  C) 1.0   -62.45    10.82 2

! 40. L 53 Phi -64.20 +/- 12.35 (-76.55 to -51.84)

assign (resid  52 and name  C) (resid  53 and name  N) 
       (resid  53 and name CA) (resid  53 and name  C) 1.0   -64.20    12.35 2

! 41. L 54 Phi -59.61 +/- 10.62 (-70.23 to -48.99)

assign (resid  53 and name  C) (resid  54 and name  N) 
       (resid  54 and name CA) (resid  54 and name  C) 1.0   -59.61    10.62 2

! 42. D 55 Phi -62.57 +/- 10.78 (-73.35 to -51.79)

assign (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (resid  55 and name  C) 1.0   -62.57    10.78 2

! 43. S 56 Phi -65.12 +/- 22.72 (-87.85 to -42.40)

assign (resid  55 and name  C) (resid  56 and name  N) 
       (resid  56 and name CA) (resid  56 and name  C) 1.0   -65.12    22.72 2

! 44. I 57 Phi -76.67 +/- 36.63 (-113.30 to -40.04)

assign (resid  56 and name  C) (resid  57 and name  N) 
       (resid  57 and name CA) (resid  57 and name  C) 1.0   -76.67    36.63 2

! 45. Y 61 Phi -97.63 +/- 31.19 (-128.82 to -66.44)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0   -97.63    31.19 2

! 46. S 63 Phi -106.62 +/- 45.12 (-151.74 to -61.50)

assign (resid  62 and name  C) (resid  63 and name  N) 
       (resid  63 and name CA) (resid  63 and name  C) 1.0  -106.62    45.12 2

! 47. F 64 Phi -127.17 +/- 33.56 (-160.72 to -93.61)

assign (resid  63 and name  C) (resid  64 and name  N) 
       (resid  64 and name CA) (resid  64 and name  C) 1.0  -127.17    33.56 2

! 48. W 65 Phi -110.90 +/- 45.69 (-156.59 to -65.21)
!
!assign (resid  64 and name  C) (resid  65 and name  N) 
!       (resid  65 and name CA) (resid  65 and name  C) 1.0  -110.90    45.69 2

! 49. I 66 Phi -125.52 +/- 32.38 (-157.90 to -93.14)

assign (resid  65 and name  C) (resid  66 and name  N) 
       (resid  66 and name CA) (resid  66 and name  C) 1.0  -125.52    32.38 2

! 50. L 68 Phi -123.41 +/- 33.93 (-157.34 to -89.48)

assign (resid  67 and name  C) (resid  68 and name  N) 
       (resid  68 and name CA) (resid  68 and name  C) 1.0  -123.41    33.93 2

! 51. R 69 Phi -121.49 +/- 24.30 (-145.80 to -97.19)

assign (resid  68 and name  C) (resid  69 and name  N) 
       (resid  69 and name CA) (resid  69 and name  C) 1.0  -121.49    24.30 2

! 52. Y 70 Phi -98.38 +/- 24.38 (-122.77 to -74.00)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -98.38    24.38 2

! 53. T 71 Phi -123.11 +/- 38.93 (-162.05 to -84.18)

assign (resid  70 and name  C) (resid  71 and name  N) 
       (resid  71 and name CA) (resid  71 and name  C) 1.0  -123.11    38.93 2

! 54. L 72 Phi -80.55 +/- 39.03 (-119.58 to -41.52)

assign (resid  71 and name  C) (resid  72 and name  N) 
       (resid  72 and name CA) (resid  72 and name  C) 1.0   -80.55    39.03 2

! 55. P 73 Phi -65.87 +/- 20.10 (-85.97 to -45.76)

assign (resid  72 and name  C) (resid  73 and name  N) 
       (resid  73 and name CA) (resid  73 and name  C) 1.0   -65.87    20.10 2

! 56. M 75 Phi 60.79 +/- 9.48 (51.31 to 70.28)

assign (resid  74 and name  C) (resid  75 and name  N) 
       (resid  75 and name CA) (resid  75 and name  C) 1.0    60.79     9.48 2

! 57. N 76 Phi -112.73 +/- 33.54 (-146.27 to -79.20)

assign (resid  75 and name  C) (resid  76 and name  N) 
       (resid  76 and name CA) (resid  76 and name  C) 1.0  -112.73    33.54 2

! 58. W 77 Phi -99.22 +/- 51.51 (-150.73 to -47.72)

assign (resid  76 and name  C) (resid  77 and name  N) 
       (resid  77 and name CA) (resid  77 and name  C) 1.0   -99.22    51.51 2

! 59. K 78 Phi -117.00 +/- 31.91 (-148.91 to -85.08)

assign (resid  77 and name  C) (resid  78 and name  N) 
       (resid  78 and name CA) (resid  78 and name  C) 1.0  -117.00    31.91 2

! 60. W 79 Phi -82.40 +/- 15.51 (-97.91 to -66.88)

assign (resid  78 and name  C) (resid  79 and name  N) 
       (resid  79 and name CA) (resid  79 and name  C) 1.0   -82.40    15.51 2

! 61. I 80 Phi -64.16 +/- 31.86 (-96.02 to -32.29)

assign (resid  79 and name  C) (resid  80 and name  N) 
       (resid  80 and name CA) (resid  80 and name  C) 1.0   -64.16    31.86 2

! 62. N 81 Phi -90.52 +/- 17.74 (-108.25 to -72.78)

assign (resid  80 and name  C) (resid  81 and name  N) 
       (resid  81 and name CA) (resid  81 and name  C) 1.0   -90.52    17.74 2

! 63. G 82 Phi 90.72 +/- 12.24 (78.48 to 102.96)

assign (resid  81 and name  C) (resid  82 and name  N) 
       (resid  82 and name CA) (resid  82 and name  C) 1.0    90.72    12.24 2

! 64. L 85 Phi -82.40 +/- 27.32 (-109.72 to -55.08)

assign (resid  84 and name  C) (resid  85 and name  N) 
       (resid  85 and name CA) (resid  85 and name  C) 1.0   -82.40    27.32 2

! 65. N 86 Phi -95.70 +/- 32.03 (-127.73 to -63.67)

assign (resid  85 and name  C) (resid  86 and name  N) 
       (resid  86 and name CA) (resid  86 and name  C) 1.0   -95.70    32.03 2

! 66. S 87 Phi -63.28 +/- 7.18 (-70.46 to -56.10)

assign (resid  86 and name  C) (resid  87 and name  N) 
       (resid  87 and name CA) (resid  87 and name  C) 1.0   -63.28     7.18 2

! 67. D 88 Phi -67.33 +/- 9.87 (-77.20 to -57.47)

assign (resid  87 and name  C) (resid  88 and name  N) 
       (resid  88 and name CA) (resid  88 and name  C) 1.0   -67.33     9.87 2

! 68. V 89 Phi -97.75 +/- 21.98 (-119.73 to -75.77)

assign (resid  88 and name  C) (resid  89 and name  N) 
       (resid  89 and name CA) (resid  89 and name  C) 1.0   -97.75    21.98 2

! 69. L 90 Phi -144.94 +/- 64.71 (-209.66 to -80.23)

assign (resid  89 and name  C) (resid  90 and name  N) 
       (resid  90 and name CA) (resid  90 and name  C) 1.0  -144.94    64.71 2

! 70. K 91 Phi -104.02 +/- 45.96 (-149.98 to -58.06)

assign (resid  90 and name  C) (resid  91 and name  N) 
       (resid  91 and name CA) (resid  91 and name  C) 1.0  -104.02    45.96 2

! 71. I 92 Phi -98.14 +/- 56.59 (-154.74 to -41.55)

assign (resid  91 and name  C) (resid  92 and name  N) 
       (resid  92 and name CA) (resid  92 and name  C) 1.0   -98.14    56.59 2

! 72. T 93 Phi -112.07 +/- 55.82 (-167.89 to -56.26)

assign (resid  92 and name  C) (resid  93 and name  N) 
       (resid  93 and name CA) (resid  93 and name  C) 1.0  -112.07    55.82 2

! 73. D 99 Phi -87.83 +/- 35.13 (-122.96 to -52.70)

assign (resid  98 and name  C) (resid  99 and name  N) 
       (resid  99 and name CA) (resid  99 and name  C) 1.0   -87.83    35.13 2

! 74. S 100 Phi -132.31 +/- 68.36 (-200.67 to -63.95)

assign (resid  99 and name  C) (resid 100 and name  N) 
       (resid 100 and name CA) (resid 100 and name  C) 1.0  -132.31    68.36 2

! 75. A 102 Phi -126.24 +/- 43.04 (-169.28 to -83.20)

assign (resid 101 and name  C) (resid 102 and name  N) 
       (resid 102 and name CA) (resid 102 and name  C) 1.0  -126.24    43.04 2

! 76. A 103 Phi -139.28 +/- 25.70 (-164.98 to -113.58)

assign (resid 102 and name  C) (resid 103 and name  N) 
       (resid 103 and name CA) (resid 103 and name  C) 1.0  -139.28    25.70 2

! 77. I 104 Phi -115.91 +/- 37.73 (-153.63 to -78.18)

assign (resid 103 and name  C) (resid 104 and name  N) 
       (resid 104 and name CA) (resid 104 and name  C) 1.0  -115.91    37.73 2

! 78. S 105 Phi -115.25 +/- 44.87 (-160.12 to -70.39)

assign (resid 104 and name  C) (resid 105 and name  N) 
       (resid 105 and name CA) (resid 105 and name  C) 1.0  -115.25    44.87 2

! 79. D 107 Phi -101.33 +/- 28.45 (-129.79 to -72.88)

assign (resid 106 and name  C) (resid 107 and name  N) 
       (resid 107 and name CA) (resid 107 and name  C) 1.0  -101.33    28.45 2

! 80. K 108 Phi -141.03 +/- 58.68 (-199.71 to -82.34)

assign (resid 107 and name  C) (resid 108 and name  N) 
       (resid 108 and name CA) (resid 108 and name  C) 1.0  -141.03    58.68 2

! 81. V 109 Phi -105.32 +/- 40.32 (-145.63 to -65.00)

assign (resid 108 and name  C) (resid 109 and name  N) 
       (resid 109 and name CA) (resid 109 and name  C) 1.0  -105.32    40.32 2

! 82. T 110 Phi -111.72 +/- 19.14 (-130.85 to -92.58)

assign (resid 109 and name  C) (resid 110 and name  N) 
       (resid 110 and name CA) (resid 110 and name  C) 1.0  -111.72    19.14 2

! 83. F 111 Phi -124.12 +/- 24.65 (-148.77 to -99.48)

assign (resid 110 and name  C) (resid 111 and name  N) 
       (resid 111 and name CA) (resid 111 and name  C) 1.0  -124.12    24.65 2

! 84. E 112 Phi -133.63 +/- 40.68 (-174.31 to -92.95)

assign (resid 111 and name  C) (resid 112 and name  N) 
       (resid 112 and name CA) (resid 112 and name  C) 1.0  -133.63    40.68 2

! 85. S 113 Phi -79.77 +/- 29.85 (-109.62 to -49.91)

assign (resid 112 and name  C) (resid 113 and name  N) 
       (resid 113 and name CA) (resid 113 and name  C) 1.0   -79.77    29.85 2

! 86. c 114 Phi -62.12 +/- 14.94 (-77.06 to -47.18)

assign (resid 113 and name  C) (resid 114 and name  N) 
       (resid 114 and name CA) (resid 114 and name  C) 1.0   -62.12    14.94 2

! 87. N 115 Phi -97.07 +/- 29.46 (-126.53 to -67.61)

assign (resid 114 and name  C) (resid 115 and name  N) 
       (resid 115 and name CA) (resid 115 and name  C) 1.0   -97.07    29.46 2

! 88. W 120 Phi -134.06 +/- 44.63 (-178.69 to -89.43)

assign (resid 119 and name  C) (resid 120 and name  N) 
       (resid 120 and name CA) (resid 120 and name  C) 1.0  -134.06    44.63 2

! 89. I 121 Phi -128.68 +/- 37.22 (-165.90 to -91.46)

assign (resid 120 and name  C) (resid 121 and name  N) 
       (resid 121 and name CA) (resid 121 and name  C) 1.0  -128.68    37.22 2

! 90. c 122 Phi -112.93 +/- 41.46 (-154.39 to -71.46)

assign (resid 121 and name  C) (resid 122 and name  N) 
       (resid 122 and name CA) (resid 122 and name  C) 1.0  -112.93    41.46 2

! 91. Q 123 Phi -139.24 +/- 21.48 (-160.71 to -117.76)

assign (resid 122 and name  C) (resid 123 and name  N) 
       (resid 123 and name CA) (resid 123 and name  C) 1.0  -139.24    21.48 2

! 92. K 124 Phi -138.22 +/- 28.25 (-166.47 to -109.96)

assign (resid 123 and name  C) (resid 124 and name  N) 
       (resid 124 and name CA) (resid 124 and name  C) 1.0  -138.22    28.25 2

! 93. E 125 Phi -89.20 +/- 51.60 (-140.80 to -37.59)

assign (resid 124 and name  C) (resid 125 and name  N) 
       (resid 125 and name CA) (resid 125 and name  C) 1.0   -89.20    51.60 2


! 94. c 6 Psi 143.61 +/- 44.08 (99.53 to 187.69)

assign (resid   6 and name  N) (resid   6 and name CA) 
       (resid   6 and name  C) (resid   7 and name  N) 1.0   143.61    44.08 2

! 95. P 7 Psi 146.52 +/- 17.27 (129.25 to 163.80)

assign (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (resid   8 and name  N) 1.0   146.52    17.27 2

! 96. Q 8 Psi -42.05 +/- 22.87 (-64.92 to -19.18)

assign (resid   8 and name  N) (resid   8 and name CA) 
       (resid   8 and name  C) (resid   9 and name  N) 1.0   -42.05    22.87 2

! 97. D 9 Psi -5.56 +/- 30.15 (-35.71 to 24.58)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0    -5.56    30.15 2

! 98. S 12 Psi 141.09 +/- 36.36 (104.72 to 177.45)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   141.09    36.36 2

! 99. H 13 Psi 127.52 +/- 24.00 (103.52 to 151.52)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0   127.52    24.00 2

! 100. K 16 Psi 156.90 +/- 12.82 (144.08 to 169.73)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0   156.90    12.82 2

! 101. c 17 Psi 134.11 +/- 25.24 (108.88 to 159.35)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0   134.11    25.24 2

! 102. F 18 Psi 140.37 +/- 27.68 (112.68 to 168.05)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   140.37    27.68 2

! 103. H 19 Psi 115.27 +/- 39.43 (75.84 to 154.70)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   115.27    39.43 2

! 104. V 20 Psi 119.35 +/- 42.93 (76.42 to 162.28)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   119.35    42.93 2

! 105. S 21 Psi -22.13 +/- 20.29 (-42.42 to -1.85)
!
!assign (resid  21 and name  N) (resid  21 and name CA) 
!       (resid  21 and name  C) (resid  22 and name  N) 1.0   -22.13    20.29 2

! 106. Q 22 Psi -34.46 +/- 47.34 (-81.80 to 12.88)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -34.46    47.34 2

! 107. V 23 Psi 162.54 +/- 41.42 (121.12 to 203.97)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   162.54    41.42 2

! 108. S 24 Psi 137.07 +/- 21.57 (115.50 to 158.64)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   137.07    21.57 2

! 109. N 25 Psi 142.69 +/- 40.22 (102.48 to 182.91)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   142.69    40.22 2

! 110. T 26 Psi 162.60 +/- 13.92 (148.67 to 176.52)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   162.60    13.92 2

! 111. W 27 Psi -44.62 +/- 9.44 (-54.07 to -35.18)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -44.62     9.44 2

! 112. E 28 Psi -40.57 +/- 8.41 (-48.98 to -32.16)

assign (resid  28 and name  N) (resid  28 and name CA) 
       (resid  28 and name  C) (resid  29 and name  N) 1.0   -40.57     8.41 2

! 113. E 29 Psi -33.63 +/- 18.66 (-52.29 to -14.97)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   -33.63    18.66 2

! 114. G 30 Psi -44.77 +/- 12.63 (-57.39 to -32.14)

assign (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (resid  31 and name  N) 1.0   -44.77    12.63 2

! 115. L 31 Psi -42.59 +/- 9.48 (-52.06 to -33.11)

assign (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (resid  32 and name  N) 1.0   -42.59     9.48 2

! 116. V 32 Psi -40.94 +/- 8.83 (-49.77 to -32.11)

assign (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (resid  33 and name  N) 1.0   -40.94     8.83 2

! 117. D 33 Psi -44.57 +/- 7.91 (-52.48 to -36.66)

assign (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (resid  34 and name  N) 1.0   -44.57     7.91 2

! 118. c 34 Psi -36.55 +/- 11.25 (-47.80 to -25.29)

assign (resid  34 and name  N) (resid  34 and name CA) 
       (resid  34 and name  C) (resid  35 and name  N) 1.0   -36.55    11.25 2

! 119. D 35 Psi -40.19 +/- 18.24 (-58.43 to -21.95)

assign (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (resid  36 and name  N) 1.0   -40.19    18.24 2

! 120. G 36 Psi -26.02 +/- 32.67 (-58.69 to 6.66)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   -26.02    32.67 2

! 121. K 37 Psi 1.46 +/- 18.63 (-17.16 to 20.09)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0     1.46    18.63 2

! 122. A 39 Psi 157.97 +/- 18.12 (139.85 to 176.09)

assign (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (resid  40 and name  N) 1.0   157.97    18.12 2

! 123. T 40 Psi 151.92 +/- 24.74 (127.18 to 176.66)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   151.92    24.74 2

! 124. I 44 Psi 131.17 +/- 39.09 (92.08 to 170.26)

assign (resid  44 and name  N) (resid  44 and name CA) 
       (resid  44 and name  C) (resid  45 and name  N) 1.0   131.17    39.09 2

! 125. Q 45 Psi -32.48 +/- 36.82 (-69.31 to 4.34)

assign (resid  45 and name  N) (resid  45 and name CA) 
       (resid  45 and name  C) (resid  46 and name  N) 1.0   -32.48    36.82 2

! 126. D 46 Psi 173.13 +/- 18.37 (154.76 to 191.50)

assign (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   173.13    18.37 2

! 127. Q 47 Psi -33.38 +/- 18.22 (-51.61 to -15.16)

assign (resid  47 and name  N) (resid  47 and name CA) 
       (resid  47 and name  C) (resid  48 and name  N) 1.0   -33.38    18.22 2

! 128. E 48 Psi -37.34 +/- 9.39 (-46.73 to -27.96)

assign (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (resid  49 and name  N) 1.0   -37.34     9.39 2

! 129. E 49 Psi -40.50 +/- 13.73 (-54.23 to -26.77)

assign (resid  49 and name  N) (resid  49 and name CA) 
       (resid  49 and name  C) (resid  50 and name  N) 1.0   -40.50    13.73 2

! 130. L 50 Psi -37.80 +/- 12.69 (-50.50 to -25.11)

assign (resid  50 and name  N) (resid  50 and name CA) 
       (resid  50 and name  C) (resid  51 and name  N) 1.0   -37.80    12.69 2

! 131. R 51 Psi -40.26 +/- 9.21 (-49.47 to -31.05)

assign (resid  51 and name  N) (resid  51 and name CA) 
       (resid  51 and name  C) (resid  52 and name  N) 1.0   -40.26     9.21 2

! 132. F 52 Psi -42.65 +/- 17.05 (-59.70 to -25.60)

assign (resid  52 and name  N) (resid  52 and name CA) 
       (resid  52 and name  C) (resid  53 and name  N) 1.0   -42.65    17.05 2

! 133. L 53 Psi -44.28 +/- 9.86 (-54.14 to -34.43)

assign (resid  53 and name  N) (resid  53 and name CA) 
       (resid  53 and name  C) (resid  54 and name  N) 1.0   -44.28     9.86 2

! 134. L 54 Psi -39.86 +/- 12.42 (-52.28 to -27.44)

assign (resid  54 and name  N) (resid  54 and name CA) 
       (resid  54 and name  C) (resid  55 and name  N) 1.0   -39.86    12.42 2

! 135. D 55 Psi -36.72 +/- 23.48 (-60.20 to -13.24)

assign (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   -36.72    23.48 2

! 136. S 56 Psi -34.59 +/- 24.40 (-58.99 to -10.19)

assign (resid  56 and name  N) (resid  56 and name CA) 
       (resid  56 and name  C) (resid  57 and name  N) 1.0   -34.59    24.40 2

! 137. I 57 Psi -25.84 +/- 42.04 (-67.88 to 16.20)

assign (resid  57 and name  N) (resid  57 and name CA) 
       (resid  57 and name  C) (resid  58 and name  N) 1.0   -25.84    42.04 2

! 138. Y 61 Psi -3.16 +/- 40.39 (-43.55 to 37.23)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0    -3.16    40.39 2

! 139. S 63 Psi 150.22 +/- 43.80 (106.42 to 194.03)

assign (resid  63 and name  N) (resid  63 and name CA) 
       (resid  63 and name  C) (resid  64 and name  N) 1.0   150.22    43.80 2

! 140. F 64 Psi 141.98 +/- 31.18 (110.80 to 173.16)

assign (resid  64 and name  N) (resid  64 and name CA) 
       (resid  64 and name  C) (resid  65 and name  N) 1.0   141.98    31.18 2

! 141. W 65 Psi 153.24 +/- 31.14 (122.10 to 184.38)

assign (resid  65 and name  N) (resid  65 and name CA) 
       (resid  65 and name  C) (resid  66 and name  N) 1.0   153.24    31.14 2

! 142. I 66 Psi 157.04 +/- 20.14 (136.91 to 177.18)

assign (resid  66 and name  N) (resid  66 and name CA) 
       (resid  66 and name  C) (resid  67 and name  N) 1.0   157.04    20.14 2

! 143. L 68 Psi 137.55 +/- 33.49 (104.06 to 171.04)

assign (resid  68 and name  N) (resid  68 and name CA) 
       (resid  68 and name  C) (resid  69 and name  N) 1.0   137.55    33.49 2

! 144. R 69 Psi 127.51 +/- 21.61 (105.90 to 149.12)

assign (resid  69 and name  N) (resid  69 and name CA) 
       (resid  69 and name  C) (resid  70 and name  N) 1.0   127.51    21.61 2

! 145. Y 70 Psi 128.77 +/- 14.36 (114.41 to 143.13)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   128.77    14.36 2

! 146. T 71 Psi 139.67 +/- 36.86 (102.82 to 176.53)

assign (resid  71 and name  N) (resid  71 and name CA) 
       (resid  71 and name  C) (resid  72 and name  N) 1.0   139.67    36.86 2

! 147. L 72 Psi 128.52 +/- 36.16 (92.36 to 164.68)

assign (resid  72 and name  N) (resid  72 and name CA) 
       (resid  72 and name  C) (resid  73 and name  N) 1.0   128.52    36.16 2

! 148. P 73 Psi 147.41 +/- 20.32 (127.09 to 167.73)

assign (resid  73 and name  N) (resid  73 and name CA) 
       (resid  73 and name  C) (resid  74 and name  N) 1.0   147.41    20.32 2

! 149. M 75 Psi 32.10 +/- 23.34 (8.75 to 55.44)

assign (resid  75 and name  N) (resid  75 and name CA) 
       (resid  75 and name  C) (resid  76 and name  N) 1.0    32.10    23.34 2

! 150. N 76 Psi 146.27 +/- 22.44 (123.83 to 168.71)

assign (resid  76 and name  N) (resid  76 and name CA) 
       (resid  76 and name  C) (resid  77 and name  N) 1.0   146.27    22.44 2

! 151. W 77 Psi 138.68 +/- 43.45 (95.23 to 182.13)

assign (resid  77 and name  N) (resid  77 and name CA) 
       (resid  77 and name  C) (resid  78 and name  N) 1.0   138.68    43.45 2

! 152. K 78 Psi 138.60 +/- 31.93 (106.68 to 170.53)

assign (resid  78 and name  N) (resid  78 and name CA) 
       (resid  78 and name  C) (resid  79 and name  N) 1.0   138.60    31.93 2

! 153. W 79 Psi 158.69 +/- 61.84 (96.85 to 220.53)

assign (resid  79 and name  N) (resid  79 and name CA) 
       (resid  79 and name  C) (resid  80 and name  N) 1.0   158.69    61.84 2

! 154. I 80 Psi -19.48 +/- 35.14 (-54.61 to 15.66)

assign (resid  80 and name  N) (resid  80 and name CA) 
       (resid  80 and name  C) (resid  81 and name  N) 1.0   -19.48    35.14 2

! 155. N 81 Psi -2.63 +/- 26.93 (-29.55 to 24.30)

assign (resid  81 and name  N) (resid  81 and name CA) 
       (resid  81 and name  C) (resid  82 and name  N) 1.0    -2.63    26.93 2

! 156. G 82 Psi -6.23 +/- 14.32 (-20.55 to 8.10)

assign (resid  82 and name  N) (resid  82 and name CA) 
       (resid  82 and name  C) (resid  83 and name  N) 1.0    -6.23    14.32 2

! 157. L 85 Psi 128.04 +/- 30.83 (97.21 to 158.88)

assign (resid  85 and name  N) (resid  85 and name CA) 
       (resid  85 and name  C) (resid  86 and name  N) 1.0   128.04    30.83 2

! 158. N 86 Psi 105.77 +/- 46.31 (59.46 to 152.08)

assign (resid  86 and name  N) (resid  86 and name CA) 
       (resid  86 and name  C) (resid  87 and name  N) 1.0   105.77    46.31 2

! 159. S 87 Psi -23.23 +/- 27.24 (-50.47 to 4.01)

assign (resid  87 and name  N) (resid  87 and name CA) 
       (resid  87 and name  C) (resid  88 and name  N) 1.0   -23.23    27.24 2

! 160. D 88 Psi -28.30 +/- 29.64 (-57.94 to 1.34)

assign (resid  88 and name  N) (resid  88 and name CA) 
       (resid  88 and name  C) (resid  89 and name  N) 1.0   -28.30    29.64 2

! 161. V 89 Psi -18.55 +/- 40.04 (-58.59 to 21.48)

assign (resid  89 and name  N) (resid  89 and name CA) 
       (resid  89 and name  C) (resid  90 and name  N) 1.0   -18.55    40.04 2

! 162. L 90 Psi 147.87 +/- 33.58 (114.29 to 181.46)

assign (resid  90 and name  N) (resid  90 and name CA) 
       (resid  90 and name  C) (resid  91 and name  N) 1.0   147.87    33.58 2

! 163. K 91 Psi 134.33 +/- 41.07 (93.26 to 175.40)

assign (resid  91 and name  N) (resid  91 and name CA) 
       (resid  91 and name  C) (resid  92 and name  N) 1.0   134.33    41.07 2

! 164. I 92 Psi 135.16 +/- 38.30 (96.86 to 173.46)

assign (resid  92 and name  N) (resid  92 and name CA) 
       (resid  92 and name  C) (resid  93 and name  N) 1.0   135.16    38.30 2

! 165. T 93 Psi 140.63 +/- 52.32 (88.31 to 192.95)

assign (resid  93 and name  N) (resid  93 and name CA) 
       (resid  93 and name  C) (resid  94 and name  N) 1.0   140.63    52.32 2

! 166. D 99 Psi -17.69 +/- 43.70 (-61.39 to 26.00)

assign (resid  99 and name  N) (resid  99 and name CA) 
       (resid  99 and name  C) (resid 100 and name  N) 1.0   -17.69    43.70 2

! 167. S 100 Psi 159.50 +/- 23.56 (135.95 to 183.06)

assign (resid 100 and name  N) (resid 100 and name CA) 
       (resid 100 and name  C) (resid 101 and name  N) 1.0   159.50    23.56 2

! 168. A 102 Psi 146.12 +/- 31.54 (114.58 to 177.66)

assign (resid 102 and name  N) (resid 102 and name CA) 
       (resid 102 and name  C) (resid 103 and name  N) 1.0   146.12    31.54 2

! 169. A 103 Psi 156.43 +/- 20.26 (136.18 to 176.69)

assign (resid 103 and name  N) (resid 103 and name CA) 
       (resid 103 and name  C) (resid 104 and name  N) 1.0   156.43    20.26 2

! 170. I 104 Psi 131.62 +/- 21.11 (110.50 to 152.73)

assign (resid 104 and name  N) (resid 104 and name CA) 
       (resid 104 and name  C) (resid 105 and name  N) 1.0   131.62    21.11 2

! 171. S 105 Psi 114.91 +/- 33.72 (81.19 to 148.62)
!
!assign (resid 105 and name  N) (resid 105 and name CA) 
!       (resid 105 and name  C) (resid 106 and name  N) 1.0   114.91    33.72 2

! 172. D 107 Psi -15.31 +/- 45.26 (-60.57 to 29.95)

assign (resid 107 and name  N) (resid 107 and name CA) 
       (resid 107 and name  C) (resid 108 and name  N) 1.0   -15.31    45.26 2

! 173. K 108 Psi 151.83 +/- 31.39 (120.45 to 183.22)

assign (resid 108 and name  N) (resid 108 and name CA) 
       (resid 108 and name  C) (resid 109 and name  N) 1.0   151.83    31.39 2

! 174. V 109 Psi 125.10 +/- 20.03 (105.07 to 145.13)

assign (resid 109 and name  N) (resid 109 and name CA) 
       (resid 109 and name  C) (resid 110 and name  N) 1.0   125.10    20.03 2

! 175. T 110 Psi 158.44 +/- 16.46 (141.98 to 174.90)

assign (resid 110 and name  N) (resid 110 and name CA) 
       (resid 110 and name  C) (resid 111 and name  N) 1.0   158.44    16.46 2

! 176. F 111 Psi 144.51 +/- 23.06 (121.45 to 167.57)

assign (resid 111 and name  N) (resid 111 and name CA) 
       (resid 111 and name  C) (resid 112 and name  N) 1.0   144.51    23.06 2

! 177. E 112 Psi 158.29 +/- 25.43 (132.86 to 183.71)

assign (resid 112 and name  N) (resid 112 and name CA) 
       (resid 112 and name  C) (resid 113 and name  N) 1.0   158.29    25.43 2

! 178. S 113 Psi 128.57 +/- 23.93 (104.65 to 152.50)

assign (resid 113 and name  N) (resid 113 and name CA) 
       (resid 113 and name  C) (resid 114 and name  N) 1.0   128.57    23.93 2

! 179. c 114 Psi -28.00 +/- 19.01 (-47.01 to -8.99)

assign (resid 114 and name  N) (resid 114 and name CA) 
       (resid 114 and name  C) (resid 115 and name  N) 1.0   -28.00    19.01 2

! 180. N 115 Psi -0.71 +/- 45.00 (-45.71 to 44.29)

assign (resid 115 and name  N) (resid 115 and name CA) 
       (resid 115 and name  C) (resid 116 and name  N) 1.0    -0.71    45.00 2

! 181. W 120 Psi 154.10 +/- 19.65 (134.45 to 173.75)

assign (resid 120 and name  N) (resid 120 and name CA) 
       (resid 120 and name  C) (resid 121 and name  N) 1.0   154.10    19.65 2

! 182. I 121 Psi 142.72 +/- 37.15 (105.56 to 179.87)

assign (resid 121 and name  N) (resid 121 and name CA) 
       (resid 121 and name  C) (resid 122 and name  N) 1.0   142.72    37.15 2

! 183. c 122 Psi 143.13 +/- 32.51 (110.62 to 175.65)

assign (resid 122 and name  N) (resid 122 and name CA) 
       (resid 122 and name  C) (resid 123 and name  N) 1.0   143.13    32.51 2

! 184. Q 123 Psi 153.16 +/- 25.76 (127.40 to 178.92)

assign (resid 123 and name  N) (resid 123 and name CA) 
       (resid 123 and name  C) (resid 124 and name  N) 1.0   153.16    25.76 2

! 185. K 124 Psi 134.96 +/- 26.02 (108.94 to 160.98)

assign (resid 124 and name  N) (resid 124 and name CA) 
       (resid 124 and name  C) (resid 125 and name  N) 1.0   134.96    26.02 2

! 186. E 125 Psi 135.72 +/- 21.61 (114.11 to 157.34)

assign (resid 125 and name  N) (resid 125 and name CA) 
       (resid 125 and name  C) (resid 126 and name  N) 1.0   135.72    21.61 2

! Chi-1 restraints dervided from PREDITOR (Conf > 0.69)
! stdev set to 30 deg

! L4
assign (resid 4 and name N)  (resid 4 and name CA)
       (resid 4 and name CB) (resid 4 and name CG)     1.0   -60.00  30.00  2

! E5
assign (resid 5 and name N)  (resid 5 and name CA)
       (resid 5 and name CB) (resid 5 and name CG)     1.0   -60.00  30.00  2

! D9
assign (resid 9 and name N)  (resid 9 and name CA)
       (resid 9 and name CB) (resid 9 and name CG)     1.0   -60.00  30.00  2

! R14
assign (resid 14 and name N)  (resid 14 and name CA)
       (resid 14 and name CB) (resid 14 and name CG)     1.0   -60.00  30.00  2

! K16
assign (resid 16 and name N)  (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name CG)     1.0   -60.00  30.00  2

! V20
assign (resid 20 and name N)  (resid 20 and name CA)
       (resid 20 and name CB) (resid 20 and name CG1)     1.0   180.00  30.00  2

! Q22
assign (resid 22 and name N)  (resid 22 and name CA)
       (resid 22 and name CB) (resid 22 and name CG)     1.0   -60.00  30.00  2

! V23
assign (resid 23 and name N)  (resid 23 and name CA)
       (resid 23 and name CB) (resid 23 and name CG1)     1.0   -60.00  30.00  2

! N25
assign (resid 25 and name N)  (resid 25 and name CA)
       (resid 25 and name CB) (resid 25 and name CG)     1.0   -60.00  30.00  2

! T26
assign (resid 26 and name N)  (resid 26 and name CA)
       (resid 26 and name CB) (resid 26 and name OG1)     1.0   60.00  30.00  2

! W27
assign (resid 27 and name N)  (resid 27 and name CA)
       (resid 27 and name CB) (resid 27 and name CG)     1.0   180.00  30.00  2

! V32
assign (resid 32 and name N)  (resid 32 and name CA)
       (resid 32 and name CB) (resid 32 and name CG1)     1.0   180.00  30.00  2

! D33
assign (resid 33 and name N)  (resid 33 and name CA)
       (resid 33 and name CB) (resid 33 and name CG)     1.0   -60.00  30.00  2

! C34
assign (resid 34 and name N)  (resid 34 and name CA)
       (resid 34 and name CB) (resid 34 and name SG)     1.0   -60.00  30.00  2

! D35
assign (resid 35 and name N)  (resid 35 and name CA)
       (resid 35 and name CB) (resid 35 and name CG)     1.0   -60.00  30.00  2

! K37
assign (resid 37 and name N)  (resid 37 and name CA)
       (resid 37 and name CB) (resid 37 and name CG)     1.0   -60.00  30.00  2

! T40
assign (resid 40 and name N)  (resid 40 and name CA)
       (resid 40 and name CB) (resid 40 and name OG1)     1.0   60.00  30.00  2

! I44
assign (resid 44 and name N)  (resid 44 and name CA)
       (resid 44 and name CB) (resid 44 and name CG1)     1.0   -60.00  30.00  2

! D55
assign (resid 55 and name N)  (resid 55 and name CA)
       (resid 55 and name CB) (resid 55 and name CG)     1.0   -60.00  30.00  2

! S56
assign (resid 56 and name N)  (resid 56 and name CA)
       (resid 56 and name CB) (resid 56 and name OG)     1.0   60.00  30.00  2

! I57
assign (resid 57 and name N)  (resid 57 and name CA)
       (resid 57 and name CB) (resid 57 and name CG1)     1.0   -60.00  30.00  2

! E59
assign (resid 59 and name N)  (resid 59 and name CA)
       (resid 59 and name CB) (resid 59 and name CG)     1.0   -60.00  30.00  2

! F64
assign (resid 64 and name N)  (resid 64 and name CA)
       (resid 64 and name CB) (resid 64 and name CG)     1.0   -60.00  30.00  2

! W65
assign (resid 65 and name N)  (resid 65 and name CA)
       (resid 65 and name CB) (resid 65 and name CG)     1.0   -60.00  30.00  2

! L68
assign (resid 68 and name N)  (resid 68 and name CA)
       (resid 68 and name CB) (resid 68 and name CG)     1.0   -60.00  30.00  2

! M75
assign (resid 75 and name N)  (resid 75 and name CA)
       (resid 75 and name CB) (resid 75 and name CG)     1.0   -60.00  30.00  2

! N76
assign (resid 76 and name N)  (resid 76 and name CA)
       (resid 76 and name CB) (resid 76 and name CG)     1.0   -60.00  30.00  2

! W77
assign (resid 77 and name N)  (resid 77 and name CA)
       (resid 77 and name CB) (resid 77 and name CG)     1.0   -60.00  30.00  2

! W79
assign (resid 79 and name N)  (resid 79 and name CA)
       (resid 79 and name CB) (resid 79 and name CG)     1.0   -60.00  30.00  2

! T84
assign (resid 84 and name N)  (resid 84 and name CA)
       (resid 84 and name CB) (resid 84 and name OG1)     1.0   -60.00  30.00  2

! N86
assign (resid 86 and name N)  (resid 86 and name CA)
       (resid 86 and name CB) (resid 86 and name CG)     1.0   180.00  30.00  2

! D88
assign (resid 88 and name N)  (resid 88 and name CA)
       (resid 88 and name CB) (resid 88 and name CG)     1.0   -60.00  30.00  2

! L90
assign (resid 90 and name N)  (resid 90 and name CA)
       (resid 90 and name CB) (resid 90 and name CG)     1.0   -60.00  30.00  2

! I92
assign (resid 92 and name N)  (resid 92 and name CA)
       (resid 92 and name CB) (resid 92 and name CG1)     1.0   -60.00  30.00  2

! T93
assign (resid 93 and name N)  (resid 93 and name CA)
       (resid 93 and name CB) (resid 93 and name OG1)     1.0   -60.00  30.00  2

! E97
assign (resid 97 and name N)  (resid 97 and name CA)
       (resid 97 and name CB) (resid 97 and name CG)     1.0   -60.00  30.00  2

! N98
assign (resid 98 and name N)  (resid 98 and name CA)
       (resid 98 and name CB) (resid 98 and name CG)     1.0   -60.00  30.00  2

! D99
assign (resid 99 and name N)  (resid 99 and name CA)
       (resid 99 and name CB) (resid 99 and name CG)     1.0   180.00  30.00  2

! I104
assign (resid 104 and name N)  (resid 104 and name CA)
       (resid 104 and name CB) (resid 104 and name CG1)     1.0   -60.00  30.00  2

! S105
assign (resid 105 and name N)  (resid 105 and name CA)
       (resid 105 and name CB) (resid 105 and name OG)     1.0   180.00  30.00  2

! K108
assign (resid 108 and name N)  (resid 108 and name CA)
       (resid 108 and name CB) (resid 108 and name CG)     1.0   -60.00  30.00  2

! V109
assign (resid 109 and name N)  (resid 109 and name CA)
       (resid 109 and name CB) (resid 109 and name CG1)     1.0   180.00  30.00  2

! C114
assign (resid 114 and name N)  (resid 114 and name CA)
       (resid 114 and name CB) (resid 114 and name SG)     1.0   -60.00  30.00  2

! S116
assign (resid 116 and name N)  (resid 116 and name CA)
       (resid 116 and name CB) (resid 116 and name OG)     1.0   60.00  30.00  2

! D117
assign (resid 117 and name N)  (resid 117 and name CA)
       (resid 117 and name CB) (resid 117 and name CG)     1.0   180.00  30.00  2

! R119
assign (resid 119 and name N)  (resid 119 and name CA)
       (resid 119 and name CB) (resid 119 and name CG)     1.0   -60.00  30.00  2

! W120
assign (resid 120 and name N)  (resid 120 and name CA)
       (resid 120 and name CB) (resid 120 and name CG)     1.0   60.00  30.00  2

! I121
assign (resid 121 and name N)  (resid 121 and name CA)
       (resid 121 and name CB) (resid 121 and name CG1)     1.0   -60.00  30.00  2

! C122
assign (resid 122 and name N)  (resid 122 and name CA)
       (resid 122 and name CB) (resid 122 and name SG)     1.0   -60.00  30.00  2

! Q123
!assign (resid 123 and name N)  (resid 123 and name CA)
!       (resid 123 and name CB) (resid 123 and name CG)     1.0   -60.00  30.00  2

! K124
assign (resid 124 and name N)  (resid 124 and name CA)
       (resid 124 and name CB) (resid 124 and name CG)     1.0   180.00  30.00  2

! E129
assign (resid 129 and name N)  (resid 129 and name CA)
       (resid 129 and name CB) (resid 129 and name CG)     1.0   -60.00  30.00  2

! T130
assign (resid 130 and name N)  (resid 130 and name CA)
       (resid 130 and name CB) (resid 130 and name OG1)     1.0   -60.00  30.00  2

! N133
assign (resid 133 and name N)  (resid 133 and name CA)
       (resid 133 and name CB) (resid 133 and name CG)     1.0   -60.00  30.00  2

! V135
assign (resid 135 and name N)  (resid 135 and name CA)
       (resid 135 and name CB) (resid 135 and name CG1)     1.0   180.00  30.00  2

! Y137
assign (resid 137 and name N)  (resid 137 and name CA)
       (resid 137 and name CB) (resid 137 and name CG)     1.0   -60.00  30.00  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1  13.342  -8.324 -10.481
    2    H2   SER   1           HT2      SER   1  12.443  -8.887  -9.189
    3    H3   SER   1           HT3      SER   1  12.120  -9.481 -10.745
    4    HA   SER   1           HA       SER   1  14.345 -10.452 -10.753
    5    HB2  SER   1           HB2      SER   1  14.315  -9.625  -7.835
    6    HB3  SER   1           HB1      SER   1  15.631 -10.414  -8.701
    7    HG   SER   1           HG       SER   1  15.967  -8.520  -9.880
    8    H    ALA   2           HN       ALA   2  14.637 -12.174  -8.294
    9    HA   ALA   2           HA       ALA   2  12.266 -13.784  -8.866
   10    HB1  ALA   2           HB1      ALA   2  14.435 -14.707  -9.502
   11    HB2  ALA   2           HB2      ALA   2  13.605 -15.703  -8.304
   12    HB3  ALA   2           HB3      ALA   2  14.941 -14.662  -7.814
   13    H    LYS   3           HN       LYS   3  12.966 -11.668  -6.515
   14    HA   LYS   3           HA       LYS   3  12.360 -11.352  -4.444
   15    HB2  LYS   3           HB2      LYS   3  10.216 -11.757  -4.661
   16    HB3  LYS   3           HB1      LYS   3  10.399 -13.359  -5.375
   17    HG2  LYS   3           HG2      LYS   3  10.569 -12.732  -2.415
   18    HG3  LYS   3           HG1      LYS   3   9.061 -13.133  -3.225
   19    HD2  LYS   3           HD2      LYS   3  10.038 -15.342  -3.858
   20    HD3  LYS   3           HD1      LYS   3  11.501 -14.919  -2.964
   21    HE2  LYS   3           HE2      LYS   3  10.113 -14.660  -0.916
   22    HE3  LYS   3           HE1      LYS   3   8.715 -15.208  -1.826
   23    HZ1  LYS   3           HZ1      LYS   3  11.159 -16.784  -1.221
   24    HZ2  LYS   3           HZ2      LYS   3   9.889 -17.321  -2.193
   25    HZ3  LYS   3           HZ3      LYS   3   9.621 -17.000  -0.570
   26    H    LEU   4           HN       LEU   4  12.951 -11.590  -2.411
   27    HA   LEU   4           HA       LEU   4  14.750 -13.800  -1.798
   28    HB2  LEU   4           HB2      LEU   4  14.317 -11.089  -0.481
   29    HB3  LEU   4           HB1      LEU   4  15.356 -12.320   0.183
   30    HG   LEU   4           HG       LEU   4  16.860 -12.095  -1.812
   31   HD11  LEU   4          HD11      LEU   4  15.120  -9.784  -2.593
   32   HD12  LEU   4          HD12      LEU   4  15.227 -11.324  -3.438
   33   HD13  LEU   4          HD13      LEU   4  16.640 -10.275  -3.341
   34   HD21  LEU   4          HD21      LEU   4  17.299 -10.837   0.228
   35   HD22  LEU   4          HD22      LEU   4  16.297  -9.517  -0.373
   36   HD23  LEU   4          HD23      LEU   4  17.790  -9.942  -1.209
   37    H    GLU   5           HN       GLU   5  14.525 -14.209   0.803
   38    HA   GLU   5           HA       GLU   5  11.866 -15.308   0.885
   39    HB2  GLU   5           HB2      GLU   5  14.127 -15.616   2.845
   40    HB3  GLU   5           HB1      GLU   5  12.607 -16.500   2.910
   41    HG2  GLU   5           HG2      GLU   5  14.670 -16.636   0.720
   42    HG3  GLU   5           HG1      GLU   5  14.328 -17.880   1.923
   43    H    CYS   6           HN       CYS   6  10.293 -15.029   2.327
   44    HA   CYS   6           HA       CYS   6  10.413 -12.780   4.203
   45    HB2  CYS   6           HB2      CYS   6   9.390 -12.108   1.962
   46    HB3  CYS   6           HB1      CYS   6   8.204 -13.371   2.205
   47    HA   PRO   7           HA       PRO   7   8.313 -15.675   7.033
   48    HB2  PRO   7           HB2      PRO   7   6.188 -13.576   7.255
   49    HB3  PRO   7           HB1      PRO   7   7.040 -14.443   8.551
   50    HG2  PRO   7           HG2      PRO   7   7.683 -11.950   7.987
   51    HG3  PRO   7           HG1      PRO   7   8.939 -13.151   8.381
   52    HD2  PRO   7           HD2      PRO   7   8.173 -11.959   5.794
   53    HD3  PRO   7           HD1      PRO   7   9.773 -12.425   6.369
   54    H    GLN   8           HN       GLN   8   6.492 -17.046   7.148
   55    HA   GLN   8           HA       GLN   8   5.654 -17.918   4.626
   56    HB2  GLN   8           HB2      GLN   8   4.425 -19.658   5.742
   57    HB3  GLN   8           HB1      GLN   8   5.973 -19.413   6.529
   58    HG2  GLN   8           HG2      GLN   8   4.870 -18.161   8.319
   59    HG3  GLN   8           HG1      GLN   8   3.320 -18.382   7.516
   60   HE21  GLN   8          HE21      GLN   8   2.401 -19.524   9.167
   61   HE22  GLN   8          HE22      GLN   8   2.876 -21.124   9.581
   62    H    ASP   9           HN       ASP   9   3.954 -15.818   6.831
   63    HA   ASP   9           HA       ASP   9   1.325 -16.287   5.725
   64    HB2  ASP   9           HB2      ASP   9   2.298 -13.992   7.422
   65    HB3  ASP   9           HB1      ASP   9   0.625 -14.376   7.065
   66    H    TRP  10           HN       TRP  10   3.973 -14.631   4.658
   67    HA   TRP  10           HA       TRP  10   2.460 -12.430   3.549
   68    HB2  TRP  10           HB2      TRP  10   5.416 -12.944   3.825
   69    HB3  TRP  10           HB1      TRP  10   4.749 -11.510   3.062
   70    HD1  TRP  10           HD1      TRP  10   4.281 -13.271   6.511
   71    HE1  TRP  10           HE1      TRP  10   4.205 -11.477   8.324
   72    HE3  TRP  10           HE3      TRP  10   4.798  -9.167   3.547
   73    HZ2  TRP  10           HZ2      TRP  10   4.372  -8.658   8.477
   74    HZ3  TRP  10           HZ3      TRP  10   4.842  -6.957   4.614
   75    HH2  TRP  10           HH2      TRP  10   4.637  -6.718   7.026
   76    H    LEU  11           HN       LEU  11   1.748 -12.572   1.601
   77    HA   LEU  11           HA       LEU  11   2.429 -14.803  -0.111
   78    HB2  LEU  11           HB2      LEU  11   0.761 -12.378  -0.823
   79    HB3  LEU  11           HB1      LEU  11   0.808 -13.895  -1.687
   80    HG   LEU  11           HG       LEU  11  -1.222 -13.979  -0.654
   81   HD11  LEU  11          HD11      LEU  11  -0.139 -16.008  -0.166
   82   HD12  LEU  11          HD12      LEU  11  -1.187 -15.566   1.181
   83   HD13  LEU  11          HD13      LEU  11   0.557 -15.340   1.311
   84   HD21  LEU  11          HD21      LEU  11  -1.754 -13.235   1.608
   85   HD22  LEU  11          HD22      LEU  11  -1.022 -11.947   0.644
   86   HD23  LEU  11          HD23      LEU  11  -0.063 -12.791   1.860
   87    H    SER  12           HN       SER  12   3.934 -14.896  -1.528
   88    HA   SER  12           HA       SER  12   5.425 -12.480  -1.857
   89    HB2  SER  12           HB2      SER  12   7.221 -14.111  -2.650
   90    HB3  SER  12           HB1      SER  12   6.729 -14.131  -0.963
   91    HG   SER  12           HG       SER  12   5.685 -16.002  -1.219
   92    H    HIS  13           HN       HIS  13   5.712 -11.422  -3.576
   93    HA   HIS  13           HA       HIS  13   4.931 -12.325  -6.232
   94    HB2  HIS  13           HB2      HIS  13   2.961 -11.139  -5.580
   95    HB3  HIS  13           HB1      HIS  13   3.874  -9.994  -4.620
   96    HD1  HIS  13           HD1      HIS  13   2.703 -10.616  -8.184
   97    HD2  HIS  13           HD2      HIS  13   4.776  -7.753  -5.992
   98    HE1  HIS  13           HE1      HIS  13   2.790  -8.503  -9.618
   99    HE2  HIS  13           HE2      HIS  13   4.111  -6.888  -8.333
  100    H    ARG  14           HN       ARG  14   6.120 -11.102  -7.817
  101    HA   ARG  14           HA       ARG  14   8.571 -10.589  -8.047
  102    HB2  ARG  14           HB2      ARG  14   6.661  -8.325  -8.578
  103    HB3  ARG  14           HB1      ARG  14   8.305  -8.390  -9.179
  104    HG2  ARG  14           HG2      ARG  14   7.732 -10.420 -10.436
  105    HG3  ARG  14           HG1      ARG  14   6.069 -10.285  -9.849
  106    HD2  ARG  14           HD2      ARG  14   6.298  -9.358 -12.097
  107    HD3  ARG  14           HD1      ARG  14   5.856  -8.111 -10.930
  108    HE   ARG  14           HE       ARG  14   8.660  -8.254 -11.232
  109   HH11  ARG  14          HH11      ARG  14   5.783  -7.109 -13.067
  110   HH12  ARG  14          HH12      ARG  14   6.656  -5.860 -13.809
  111   HH21  ARG  14          HH21      ARG  14   9.770  -6.544 -12.281
  112   HH22  ARG  14          HH22      ARG  14   8.947  -5.537 -13.392
  113    H    ASP  15           HN       ASP  15   9.503 -10.575  -6.020
  114    HA   ASP  15           HA       ASP  15  10.924  -9.773  -4.496
  115    HB2  ASP  15           HB2      ASP  15  10.863  -7.107  -5.906
  116    HB3  ASP  15           HB1      ASP  15  12.086  -7.822  -4.903
  117    H    LYS  16           HN       LYS  16   7.992  -9.352  -3.978
  118    HA   LYS  16           HA       LYS  16   8.299  -7.632  -1.641
  119    HB2  LYS  16           HB2      LYS  16   6.064  -7.158  -3.672
  120    HB3  LYS  16           HB1      LYS  16   6.289  -6.308  -2.145
  121    HG2  LYS  16           HG2      LYS  16   7.851  -4.942  -2.947
  122    HG3  LYS  16           HG1      LYS  16   8.574  -6.169  -3.994
  123    HD2  LYS  16           HD2      LYS  16   7.635  -4.515  -5.393
  124    HD3  LYS  16           HD1      LYS  16   6.550  -5.895  -5.470
  125    HE2  LYS  16           HE2      LYS  16   5.115  -4.069  -5.239
  126    HE3  LYS  16           HE1      LYS  16   5.262  -4.671  -3.586
  127    HZ1  LYS  16           HZ1      LYS  16   6.684  -2.379  -4.783
  128    HZ2  LYS  16           HZ2      LYS  16   7.041  -2.952  -3.261
  129    HZ3  LYS  16           HZ3      LYS  16   5.484  -2.320  -3.593
  130    H    CYS  17           HN       CYS  17   6.928  -8.381   0.035
  131    HA   CYS  17           HA       CYS  17   5.118 -10.560  -0.729
  132    HB2  CYS  17           HB2      CYS  17   5.749 -11.662   1.429
  133    HB3  CYS  17           HB1      CYS  17   7.067 -11.473   0.288
  134    H    PHE  18           HN       PHE  18   3.142 -10.641   0.311
  135    HA   PHE  18           HA       PHE  18   2.486  -8.100   1.670
  136    HB2  PHE  18           HB2      PHE  18   0.667  -9.767  -0.029
  137    HB3  PHE  18           HB1      PHE  18   0.369  -8.144   0.560
  138    HD1  PHE  18           HD1      PHE  18   2.648  -6.602  -0.098
  139    HD2  PHE  18           HD2      PHE  18   0.948  -9.824  -2.264
  140    HE1  PHE  18           HE1      PHE  18   3.667  -5.740  -2.157
  141    HE2  PHE  18           HE2      PHE  18   1.971  -8.952  -4.347
  142    HZ   PHE  18           HZ       PHE  18   3.331  -6.919  -4.281
  143    H    HIS  19           HN       HIS  19   1.312  -8.147   3.447
  144    HA   HIS  19           HA       HIS  19   0.189 -10.718   4.347
  145    HB2  HIS  19           HB2      HIS  19   1.989  -9.706   5.917
  146    HB3  HIS  19           HB1      HIS  19   0.889  -8.357   6.124
  147    HD1  HIS  19           HD1      HIS  19  -0.991  -8.623   7.877
  148    HD2  HIS  19           HD2      HIS  19   1.007 -12.175   7.011
  149    HE1  HIS  19           HE1      HIS  19  -1.740 -10.237   9.574
  150    HE2  HIS  19           HE2      HIS  19  -0.879 -12.426   8.745
  151    H    VAL  20           HN       VAL  20  -1.920 -10.630   3.790
  152    HA   VAL  20           HA       VAL  20  -3.314  -8.078   3.870
  153    HB   VAL  20           HB       VAL  20  -4.389 -10.814   3.056
  154   HG11  VAL  20          HG11      VAL  20  -6.256  -9.570   2.056
  155   HG12  VAL  20          HG12      VAL  20  -5.573  -8.061   2.659
  156   HG13  VAL  20          HG13      VAL  20  -6.153  -9.277   3.793
  157   HG21  VAL  20          HG21      VAL  20  -3.466  -8.523   1.321
  158   HG22  VAL  20          HG22      VAL  20  -4.209 -10.012   0.742
  159   HG23  VAL  20          HG23      VAL  20  -2.630 -10.063   1.530
  160    H    SER  21           HN       SER  21  -3.485  -7.585   5.949
  161    HA   SER  21           HA       SER  21  -4.142  -9.477   7.969
  162    HB2  SER  21           HB2      SER  21  -4.122  -6.464   8.108
  163    HB3  SER  21           HB1      SER  21  -3.907  -7.603   9.435
  164    HG   SER  21           HG       SER  21  -2.011  -6.504   8.330
  165    H    GLN  22           HN       GLN  22  -6.210 -10.176   8.169
  166    HA   GLN  22           HA       GLN  22  -8.474  -8.629   7.211
  167    HB2  GLN  22           HB2      GLN  22  -8.188 -11.411   8.262
  168    HB3  GLN  22           HB1      GLN  22  -9.774 -10.665   8.211
  169    HG2  GLN  22           HG2      GLN  22  -7.944 -11.003   5.850
  170    HG3  GLN  22           HG1      GLN  22  -9.278 -12.077   6.262
  171   HE21  GLN  22          HE21      GLN  22 -11.063  -9.864   7.084
  172   HE22  GLN  22          HE22      GLN  22 -11.579  -9.089   5.641
  173    H    VAL  23           HN       VAL  23  -6.894  -7.971   9.644
  174    HA   VAL  23           HA       VAL  23  -9.163  -7.733  11.482
  175    HB   VAL  23           HB       VAL  23  -7.441  -7.297  13.323
  176   HG11  VAL  23          HG11      VAL  23  -8.647  -9.383  13.137
  177   HG12  VAL  23          HG12      VAL  23  -7.005  -9.662  13.709
  178   HG13  VAL  23          HG13      VAL  23  -7.433 -10.020  12.027
  179   HG21  VAL  23          HG21      VAL  23  -5.179  -8.182  12.988
  180   HG22  VAL  23          HG22      VAL  23  -5.504  -6.850  11.878
  181   HG23  VAL  23          HG23      VAL  23  -5.553  -8.514  11.297
  182    H    SER  24           HN       SER  24  -9.391  -5.668  12.514
  183    HA   SER  24           HA       SER  24  -8.531  -3.692  10.574
  184    HB2  SER  24           HB2      SER  24 -10.810  -3.591  12.528
  185    HB3  SER  24           HB1      SER  24 -10.440  -2.352  11.341
  186    HG   SER  24           HG       SER  24 -11.678  -4.744  11.043
  187    H    ASN  25           HN       ASN  25  -7.951  -1.634  11.083
  188    HA   ASN  25           HA       ASN  25  -7.081  -0.777  13.711
  189    HB2  ASN  25           HB2      ASN  25  -5.276  -1.408  11.408
  190    HB3  ASN  25           HB1      ASN  25  -4.904  -0.014  12.405
  191   HD21  ASN  25          HD21      ASN  25  -3.153  -1.905  11.999
  192   HD22  ASN  25          HD22      ASN  25  -2.797  -2.802  13.403
  193    H    THR  26           HN       THR  26  -6.035   1.498  13.175
  194    HA   THR  26           HA       THR  26  -7.577   2.737  11.042
  195    HB   THR  26           HB       THR  26  -6.626   4.892  11.904
  196    HG1  THR  26           HG1      THR  26  -5.662   3.563  14.167
  197   HG21  THR  26          HG21      THR  26  -7.849   3.144  14.039
  198   HG22  THR  26          HG22      THR  26  -8.728   4.094  12.837
  199   HG23  THR  26          HG23      THR  26  -7.773   4.905  14.076
  200    H    TRP  27           HN       TRP  27  -6.151   4.357   9.602
  201    HA   TRP  27           HA       TRP  27  -4.531   2.693   8.040
  202    HB2  TRP  27           HB2      TRP  27  -5.698   4.653   7.127
  203    HB3  TRP  27           HB1      TRP  27  -4.649   5.706   8.074
  204    HD1  TRP  27           HD1      TRP  27  -4.595   3.457   4.976
  205    HE1  TRP  27           HE1      TRP  27  -2.538   4.034   3.565
  206    HE3  TRP  27           HE3      TRP  27  -2.382   6.715   8.157
  207    HZ2  TRP  27           HZ2      TRP  27  -0.248   5.709   3.779
  208    HZ3  TRP  27           HZ3      TRP  27  -0.295   7.767   7.547
  209    HH2  TRP  27           HH2      TRP  27   0.783   7.287   5.371
  210    H    GLU  28           HN       GLU  28  -3.524   5.364  10.148
  211    HA   GLU  28           HA       GLU  28  -0.746   5.073   9.668
  212    HB2  GLU  28           HB2      GLU  28  -2.142   6.294  12.041
  213    HB3  GLU  28           HB1      GLU  28  -0.439   6.499  11.662
  214    HG2  GLU  28           HG2      GLU  28  -1.095   7.644   9.588
  215    HG3  GLU  28           HG1      GLU  28  -2.789   7.446  10.040
  216    H    GLU  29           HN       GLU  29  -2.934   3.619  11.874
  217    HA   GLU  29           HA       GLU  29  -1.044   2.541  13.677
  218    HB2  GLU  29           HB2      GLU  29  -3.311   3.050  14.267
  219    HB3  GLU  29           HB1      GLU  29  -3.911   1.951  13.052
  220    HG2  GLU  29           HG2      GLU  29  -3.145   0.086  14.288
  221    HG3  GLU  29           HG1      GLU  29  -2.351   1.139  15.473
  222    H    GLY  30           HN       GLY  30  -2.835   1.251  10.862
  223    HA2  GLY  30           HA2      GLY  30  -1.697  -1.358  10.937
  224    HA3  GLY  30           HA1      GLY  30  -2.397  -0.628   9.519
  225    H    LEU  31           HN       LEU  31  -0.676   1.653   9.531
  226    HA   LEU  31           HA       LEU  31   1.505   0.772   8.028
  227    HB2  LEU  31           HB2      LEU  31   0.412   3.151   8.386
  228    HB3  LEU  31           HB1      LEU  31   1.593   3.300   9.656
  229    HG   LEU  31           HG       LEU  31   2.098   3.072   6.693
  230   HD11  LEU  31          HD11      LEU  31   2.636   5.260   8.661
  231   HD12  LEU  31          HD12      LEU  31   1.393   5.239   7.409
  232   HD13  LEU  31          HD13      LEU  31   3.100   5.269   6.962
  233   HD21  LEU  31          HD21      LEU  31   4.504   3.339   7.198
  234   HD22  LEU  31          HD22      LEU  31   3.859   1.815   7.806
  235   HD23  LEU  31          HD23      LEU  31   4.146   3.149   8.917
  236    H    VAL  32           HN       VAL  32   1.252   1.775  11.453
  237    HA   VAL  32           HA       VAL  32   3.930   1.333  12.198
  238    HB   VAL  32           HB       VAL  32   1.443   1.217  13.951
  239   HG11  VAL  32          HG11      VAL  32   3.330   0.108  15.043
  240   HG12  VAL  32          HG12      VAL  32   2.945   1.633  15.842
  241   HG13  VAL  32          HG13      VAL  32   4.337   1.529  14.761
  242   HG21  VAL  32          HG21      VAL  32   1.722   3.360  12.849
  243   HG22  VAL  32          HG22      VAL  32   3.388   3.451  13.421
  244   HG23  VAL  32          HG23      VAL  32   2.056   3.506  14.575
  245    H    ASP  33           HN       ASP  33   1.147  -0.783  12.133
  246    HA   ASP  33           HA       ASP  33   2.359  -3.002  13.321
  247    HB2  ASP  33           HB2      ASP  33  -0.040  -2.581  11.685
  248    HB3  ASP  33           HB1      ASP  33   0.544  -4.224  11.658
  249    H    CYS  34           HN       CYS  34   2.410  -1.912  10.007
  250    HA   CYS  34           HA       CYS  34   3.845  -4.178   9.055
  251    HB2  CYS  34           HB2      CYS  34   3.891  -1.394   7.897
  252    HB3  CYS  34           HB1      CYS  34   4.288  -2.859   7.066
  253    H    ASP  35           HN       ASP  35   4.748  -0.993  10.317
  254    HA   ASP  35           HA       ASP  35   7.499  -1.054   9.908
  255    HB2  ASP  35           HB2      ASP  35   5.919   0.188  12.199
  256    HB3  ASP  35           HB1      ASP  35   7.658   0.342  12.087
  257    H    GLY  36           HN       GLY  36   5.495  -2.389  12.431
  258    HA2  GLY  36           HA2      GLY  36   7.315  -3.296  14.304
  259    HA3  GLY  36           HA1      GLY  36   5.752  -4.019  13.985
  260    H    LYS  37           HN       LYS  37   6.389  -4.878  11.287
  261    HA   LYS  37           HA       LYS  37   7.957  -7.234  12.032
  262    HB2  LYS  37           HB2      LYS  37   6.382  -6.650   9.528
  263    HB3  LYS  37           HB1      LYS  37   7.390  -8.061   9.688
  264    HG2  LYS  37           HG2      LYS  37   5.319  -8.909  10.177
  265    HG3  LYS  37           HG1      LYS  37   5.914  -8.523  11.777
  266    HD2  LYS  37           HD2      LYS  37   4.686  -6.427  11.768
  267    HD3  LYS  37           HD1      LYS  37   4.154  -6.764  10.116
  268    HE2  LYS  37           HE2      LYS  37   2.398  -7.301  11.689
  269    HE3  LYS  37           HE1      LYS  37   2.989  -8.734  10.856
  270    HZ1  LYS  37           HZ1      LYS  37   3.815  -7.911  13.586
  271    HZ2  LYS  37           HZ2      LYS  37   4.279  -9.316  12.821
  272    HZ3  LYS  37           HZ3      LYS  37   2.659  -9.090  13.261
  273    H    GLY  38           HN       GLY  38   8.721  -4.282  10.845
  274    HA2  GLY  38           HA2      GLY  38  10.616  -3.519   9.735
  275    HA3  GLY  38           HA1      GLY  38  11.172  -5.198   9.626
  276    H    ALA  39           HN       ALA  39   8.315  -3.484   8.556
  277    HA   ALA  39           HA       ALA  39   8.815  -4.137   5.801
  278    HB1  ALA  39           HB1      ALA  39   7.595  -6.087   6.557
  279    HB2  ALA  39           HB2      ALA  39   6.510  -5.071   5.589
  280    HB3  ALA  39           HB3      ALA  39   6.376  -5.053   7.342
  281    H    THR  40           HN       THR  40   6.704  -3.185   4.651
  282    HA   THR  40           HA       THR  40   6.257  -0.529   5.818
  283    HB   THR  40           HB       THR  40   6.186   0.096   3.292
  284    HG1  THR  40           HG1      THR  40   6.475  -2.335   2.936
  285   HG21  THR  40          HG21      THR  40   8.740  -0.577   4.760
  286   HG22  THR  40          HG22      THR  40   7.861   0.945   4.836
  287   HG23  THR  40          HG23      THR  40   8.657   0.464   3.334
  288    H    LEU  41           HN       LEU  41   4.228   0.482   5.132
  289    HA   LEU  41           HA       LEU  41   2.090  -1.400   4.750
  290    HB2  LEU  41           HB2      LEU  41   1.987   0.801   6.076
  291    HB3  LEU  41           HB1      LEU  41   2.018   1.627   4.538
  292    HG   LEU  41           HG       LEU  41  -0.136   0.559   3.941
  293   HD11  LEU  41          HD11      LEU  41  -1.470  -0.532   5.662
  294   HD12  LEU  41          HD12      LEU  41  -0.134  -0.439   6.796
  295   HD13  LEU  41          HD13      LEU  41   0.003  -1.445   5.354
  296   HD21  LEU  41          HD21      LEU  41  -1.510   1.913   5.409
  297   HD22  LEU  41          HD22      LEU  41  -0.054   2.794   4.942
  298   HD23  LEU  41          HD23      LEU  41  -0.171   2.062   6.541
  299    H    MET  42           HN       MET  42   1.146  -1.876   2.816
  300    HA   MET  42           HA       MET  42   2.573  -2.348   0.657
  301    HB2  MET  42           HB2      MET  42   0.398  -3.254   0.927
  302    HB3  MET  42           HB1      MET  42  -0.337  -1.683   0.640
  303    HG2  MET  42           HG2      MET  42  -0.526  -3.176  -1.297
  304    HG3  MET  42           HG1      MET  42   0.396  -1.725  -1.675
  305    HE1  MET  42           HE1      MET  42   2.092  -4.461  -3.888
  306    HE2  MET  42           HE2      MET  42   1.525  -2.799  -3.865
  307    HE3  MET  42           HE3      MET  42   0.387  -4.120  -3.560
  308    H    LEU  43           HN       LEU  43   3.650  -1.470  -0.846
  309    HA   LEU  43           HA       LEU  43   3.070   1.249  -1.856
  310    HB2  LEU  43           HB2      LEU  43   5.680  -0.309  -1.824
  311    HB3  LEU  43           HB1      LEU  43   5.448   1.151  -2.745
  312    HG   LEU  43           HG       LEU  43   6.671   1.801  -0.901
  313   HD11  LEU  43          HD11      LEU  43   5.280   3.260   0.404
  314   HD12  LEU  43          HD12      LEU  43   3.844   2.438  -0.210
  315   HD13  LEU  43          HD13      LEU  43   4.917   3.302  -1.319
  316   HD21  LEU  43          HD21      LEU  43   4.812   0.282   0.910
  317   HD22  LEU  43          HD22      LEU  43   6.174   1.294   1.409
  318   HD23  LEU  43          HD23      LEU  43   6.466  -0.175   0.479
  319    H    ILE  44           HN       ILE  44   2.038   1.107  -3.729
  320    HA   ILE  44           HA       ILE  44   2.306  -1.309  -5.380
  321    HB   ILE  44           HB       ILE  44   0.293   0.938  -5.625
  322   HG12  ILE  44          HG12      ILE  44  -0.127  -1.724  -4.258
  323   HG13  ILE  44          HG11      ILE  44   0.240  -0.237  -3.387
  324   HG21  ILE  44          HG21      ILE  44  -1.011  -0.669  -6.905
  325   HG22  ILE  44          HG22      ILE  44   0.221  -1.898  -6.648
  326   HG23  ILE  44          HG23      ILE  44   0.590  -0.476  -7.628
  327   HD11  ILE  44          HD11      ILE  44  -1.850   0.728  -4.155
  328   HD12  ILE  44          HD12      ILE  44  -2.147  -0.848  -3.412
  329   HD13  ILE  44          HD13      ILE  44  -2.108  -0.683  -5.170
  330    H    GLN  45           HN       GLN  45   3.279  -1.191  -7.329
  331    HA   GLN  45           HA       GLN  45   4.146   1.448  -8.275
  332    HB2  GLN  45           HB2      GLN  45   5.942  -0.134  -7.794
  333    HB3  GLN  45           HB1      GLN  45   5.228  -1.311  -8.880
  334    HG2  GLN  45           HG2      GLN  45   7.152  -0.217  -9.893
  335    HG3  GLN  45           HG1      GLN  45   5.675   0.144 -10.778
  336   HE21  GLN  45          HE21      GLN  45   6.558   1.975 -11.679
  337   HE22  GLN  45          HE22      GLN  45   6.816   3.425 -10.806
  338    H    ASP  46           HN       ASP  46   2.584  -1.548  -9.373
  339    HA   ASP  46           HA       ASP  46   1.666  -0.223 -11.806
  340    HB2  ASP  46           HB2      ASP  46   3.784  -1.499 -12.303
  341    HB3  ASP  46           HB1      ASP  46   3.013  -2.955 -11.701
  342    H    GLN  47           HN       GLN  47   0.098  -2.056 -12.870
  343    HA   GLN  47           HA       GLN  47  -1.803  -2.563 -10.781
  344    HB2  GLN  47           HB2      GLN  47  -2.421  -1.574 -13.005
  345    HB3  GLN  47           HB1      GLN  47  -2.078  -3.136 -13.727
  346    HG2  GLN  47           HG2      GLN  47  -3.890  -4.159 -12.633
  347    HG3  GLN  47           HG1      GLN  47  -4.061  -2.812 -11.507
  348   HE21  GLN  47          HE21      GLN  47  -6.168  -2.467 -12.017
  349   HE22  GLN  47          HE22      GLN  47  -6.642  -1.721 -13.496
  350    H    GLU  48           HN       GLU  48   0.562  -4.309 -12.560
  351    HA   GLU  48           HA       GLU  48  -0.201  -6.976 -12.273
  352    HB2  GLU  48           HB2      GLU  48   2.513  -5.713 -11.945
  353    HB3  GLU  48           HB1      GLU  48   2.250  -7.443 -11.957
  354    HG2  GLU  48           HG2      GLU  48   1.428  -7.302 -14.234
  355    HG3  GLU  48           HG1      GLU  48   1.661  -5.548 -14.201
  356    H    GLU  49           HN       GLU  49   1.049  -4.708 -10.020
  357    HA   GLU  49           HA       GLU  49   1.695  -6.410  -7.869
  358    HB2  GLU  49           HB2      GLU  49   0.677  -3.584  -7.777
  359    HB3  GLU  49           HB1      GLU  49   1.672  -4.351  -6.553
  360    HG2  GLU  49           HG2      GLU  49   2.511  -3.893  -9.384
  361    HG3  GLU  49           HG1      GLU  49   2.893  -2.746  -8.071
  362    H    LEU  50           HN       LEU  50  -1.114  -4.365  -8.553
  363    HA   LEU  50           HA       LEU  50  -2.582  -5.321  -6.358
  364    HB2  LEU  50           HB2      LEU  50  -3.422  -3.631  -8.672
  365    HB3  LEU  50           HB1      LEU  50  -4.530  -4.177  -7.419
  366    HG   LEU  50           HG       LEU  50  -2.076  -2.517  -6.932
  367   HD11  LEU  50          HD11      LEU  50  -3.662  -0.703  -6.485
  368   HD12  LEU  50          HD12      LEU  50  -4.995  -1.776  -6.884
  369   HD13  LEU  50          HD13      LEU  50  -3.849  -1.296  -8.139
  370   HD21  LEU  50          HD21      LEU  50  -3.164  -2.297  -4.656
  371   HD22  LEU  50          HD22      LEU  50  -2.502  -3.869  -5.022
  372   HD23  LEU  50          HD23      LEU  50  -4.239  -3.610  -5.136
  373    H    ARG  51           HN       ARG  51  -2.366  -6.430  -9.598
  374    HA   ARG  51           HA       ARG  51  -4.783  -7.856  -9.488
  375    HB2  ARG  51           HB2      ARG  51  -4.198  -8.808 -11.558
  376    HB3  ARG  51           HB1      ARG  51  -3.424  -7.235 -11.517
  377    HG2  ARG  51           HG2      ARG  51  -1.301  -8.262 -11.019
  378    HG3  ARG  51           HG1      ARG  51  -2.065  -9.859 -11.111
  379    HD2  ARG  51           HD2      ARG  51  -2.832  -9.413 -13.327
  380    HD3  ARG  51           HD1      ARG  51  -2.168  -7.788 -13.229
  381    HE   ARG  51           HE       ARG  51  -0.160  -9.764 -12.827
  382   HH11  ARG  51          HH11      ARG  51  -1.956  -8.079 -15.371
  383   HH12  ARG  51          HH12      ARG  51  -0.943  -8.581 -16.636
  384   HH21  ARG  51          HH21      ARG  51   1.309 -10.372 -14.566
  385   HH22  ARG  51          HH22      ARG  51   0.980  -9.838 -16.153
  386    H    PHE  52           HN       PHE  52  -1.508  -8.547  -8.431
  387    HA   PHE  52           HA       PHE  52  -2.098 -11.240  -7.684
  388    HB2  PHE  52           HB2      PHE  52   0.236 -10.506  -8.081
  389    HB3  PHE  52           HB1      PHE  52   0.120  -9.418  -6.702
  390    HD1  PHE  52           HD1      PHE  52   0.137 -12.960  -7.703
  391    HD2  PHE  52           HD2      PHE  52   0.436 -10.212  -4.492
  392    HE1  PHE  52           HE1      PHE  52   0.873 -14.781  -6.227
  393    HE2  PHE  52           HE2      PHE  52   1.176 -12.023  -3.002
  394    HZ   PHE  52           HZ       PHE  52   1.398 -14.314  -3.872
  395    H    LEU  53           HN       LEU  53  -2.462  -8.075  -6.293
  396    HA   LEU  53           HA       LEU  53  -2.941  -8.956  -3.657
  397    HB2  LEU  53           HB2      LEU  53  -3.679  -6.372  -5.059
  398    HB3  LEU  53           HB1      LEU  53  -4.432  -6.784  -3.572
  399    HG   LEU  53           HG       LEU  53  -2.585  -5.268  -3.168
  400   HD11  LEU  53          HD11      LEU  53  -1.477  -6.432  -1.437
  401   HD12  LEU  53          HD12      LEU  53  -1.915  -7.991  -2.128
  402   HD13  LEU  53          HD13      LEU  53  -3.176  -6.931  -1.479
  403   HD21  LEU  53          HD21      LEU  53  -1.085  -5.824  -4.979
  404   HD22  LEU  53          HD22      LEU  53  -0.845  -7.433  -4.306
  405   HD23  LEU  53          HD23      LEU  53  -0.262  -6.023  -3.430
  406    H    LEU  54           HN       LEU  54  -5.067  -8.274  -6.354
  407    HA   LEU  54           HA       LEU  54  -7.432  -8.992  -5.120
  408    HB2  LEU  54           HB2      LEU  54  -6.700  -9.475  -7.992
  409    HB3  LEU  54           HB1      LEU  54  -8.330  -9.421  -7.357
  410    HG   LEU  54           HG       LEU  54  -6.356  -7.174  -7.610
  411   HD11  LEU  54          HD11      LEU  54  -7.550  -7.660  -9.632
  412   HD12  LEU  54          HD12      LEU  54  -8.096  -6.121  -8.967
  413   HD13  LEU  54          HD13      LEU  54  -9.094  -7.565  -8.784
  414   HD21  LEU  54          HD21      LEU  54  -7.383  -6.890  -5.461
  415   HD22  LEU  54          HD22      LEU  54  -8.995  -7.134  -6.126
  416   HD23  LEU  54          HD23      LEU  54  -8.064  -5.697  -6.565
  417    H    ASP  55           HN       ASP  55  -5.024 -11.130  -6.527
  418    HA   ASP  55           HA       ASP  55  -6.493 -13.506  -6.114
  419    HB2  ASP  55           HB2      ASP  55  -3.552 -12.983  -6.400
  420    HB3  ASP  55           HB1      ASP  55  -4.103 -14.568  -5.894
  421    H    SER  56           HN       SER  56  -4.214 -11.776  -4.053
  422    HA   SER  56           HA       SER  56  -4.348 -13.796  -2.035
  423    HB2  SER  56           HB2      SER  56  -2.803 -12.154  -0.811
  424    HB3  SER  56           HB1      SER  56  -2.212 -12.893  -2.299
  425    HG   SER  56           HG       SER  56  -2.516 -11.020  -3.373
  426    H    ILE  57           HN       ILE  57  -5.978 -10.871  -2.671
  427    HA   ILE  57           HA       ILE  57  -6.825 -10.033  -0.169
  428    HB   ILE  57           HB       ILE  57  -8.226  -9.887  -2.841
  429   HG12  ILE  57          HG12      ILE  57  -6.318  -8.480  -2.830
  430   HG13  ILE  57          HG11      ILE  57  -7.712  -7.433  -2.630
  431   HG21  ILE  57          HG21      ILE  57  -9.775  -8.239  -1.919
  432   HG22  ILE  57          HG22      ILE  57  -9.175  -8.628  -0.302
  433   HG23  ILE  57          HG23      ILE  57  -9.987  -9.862  -1.265
  434   HD11  ILE  57          HD11      ILE  57  -5.909  -6.715  -1.220
  435   HD12  ILE  57          HD12      ILE  57  -5.787  -8.305  -0.484
  436   HD13  ILE  57          HD13      ILE  57  -7.226  -7.316  -0.212
  437    H    LYS  58           HN       LYS  58  -8.311 -12.423  -2.288
  438    HA   LYS  58           HA       LYS  58  -9.588 -14.214  -1.903
  439    HB2  LYS  58           HB2      LYS  58  -8.058 -14.826  -0.122
  440    HB3  LYS  58           HB1      LYS  58  -8.834 -13.716   0.982
  441    HG2  LYS  58           HG2      LYS  58  -9.409 -16.023   1.477
  442    HG3  LYS  58           HG1      LYS  58 -10.823 -15.071   1.019
  443    HD2  LYS  58           HD2      LYS  58 -10.935 -17.258  -0.044
  444    HD3  LYS  58           HD1      LYS  58 -10.665 -16.003  -1.253
  445    HE2  LYS  58           HE2      LYS  58  -8.264 -16.555  -1.284
  446    HE3  LYS  58           HE1      LYS  58  -8.543 -17.815  -0.087
  447    HZ1  LYS  58           HZ1      LYS  58  -9.632 -17.732  -2.845
  448    HZ2  LYS  58           HZ2      LYS  58  -9.995 -18.932  -1.718
  449    HZ3  LYS  58           HZ3      LYS  58  -8.435 -18.766  -2.288
  450    H    GLU  59           HN       GLU  59 -10.380 -12.009   0.700
  451    HA   GLU  59           HA       GLU  59 -13.131 -12.693   0.740
  452    HB2  GLU  59           HB2      GLU  59 -11.523 -10.536   2.051
  453    HB3  GLU  59           HB1      GLU  59 -13.259 -10.680   2.284
  454    HG2  GLU  59           HG2      GLU  59 -11.434 -12.992   2.760
  455    HG3  GLU  59           HG1      GLU  59 -11.699 -11.785   4.011
  456    H    LYS  60           HN       LYS  60 -11.515  -9.647  -0.227
  457    HA   LYS  60           HA       LYS  60 -12.063  -7.972  -1.587
  458    HB2  LYS  60           HB2      LYS  60 -14.118  -9.874  -2.681
  459    HB3  LYS  60           HB1      LYS  60 -13.994  -8.236  -3.279
  460    HG2  LYS  60           HG2      LYS  60 -11.552  -8.804  -3.785
  461    HG3  LYS  60           HG1      LYS  60 -12.042 -10.483  -3.473
  462    HD2  LYS  60           HD2      LYS  60 -13.697 -10.383  -5.210
  463    HD3  LYS  60           HD1      LYS  60 -13.378  -8.669  -5.474
  464    HE2  LYS  60           HE2      LYS  60 -11.082  -9.235  -6.174
  465    HE3  LYS  60           HE1      LYS  60 -11.451 -10.946  -5.972
  466    HZ1  LYS  60           HZ1      LYS  60 -13.210 -10.673  -7.648
  467    HZ2  LYS  60           HZ2      LYS  60 -11.678 -10.325  -8.260
  468    HZ3  LYS  60           HZ3      LYS  60 -12.733  -9.064  -7.878
  469    H    TYR  61           HN       TYR  61 -14.775  -9.298   0.140
  470    HA   TYR  61           HA       TYR  61 -16.286  -6.849  -0.040
  471    HB2  TYR  61           HB2      TYR  61 -16.844  -9.255   1.703
  472    HB3  TYR  61           HB1      TYR  61 -17.999  -8.039   1.155
  473    HD1  TYR  61           HD2      TYR  61 -17.778  -7.734  -1.581
  474    HD2  TYR  61           HD1      TYR  61 -17.072 -11.270   0.634
  475    HE1  TYR  61           HE2      TYR  61 -18.173  -9.072  -3.613
  476    HE2  TYR  61           HE1      TYR  61 -17.441 -12.630  -1.380
  477    HH   TYR  61           HH       TYR  61 -18.619 -12.435  -3.504
  478    H    ASN  62           HN       ASN  62 -13.751  -6.722   1.157
  479    HA   ASN  62           HA       ASN  62 -14.429  -5.437   3.697
  480    HB2  ASN  62           HB2      ASN  62 -12.054  -7.246   3.221
  481    HB3  ASN  62           HB1      ASN  62 -12.058  -6.034   4.483
  482   HD21  ASN  62          HD21      ASN  62 -12.968  -9.198   3.579
  483   HD22  ASN  62          HD22      ASN  62 -13.718  -9.578   5.082
  484    H    SER  63           HN       SER  63 -12.131  -4.255   4.260
  485    HA   SER  63           HA       SER  63 -11.142  -2.976   1.821
  486    HB2  SER  63           HB2      SER  63 -11.996  -1.413   4.272
  487    HB3  SER  63           HB1      SER  63 -11.454  -0.758   2.726
  488    HG   SER  63           HG       SER  63 -13.353  -1.588   1.765
  489    H    PHE  64           HN       PHE  64  -8.961  -2.633   1.931
  490    HA   PHE  64           HA       PHE  64  -7.621  -3.087   4.533
  491    HB2  PHE  64           HB2      PHE  64  -6.341  -4.069   2.022
  492    HB3  PHE  64           HB1      PHE  64  -6.222  -4.692   3.664
  493    HD1  PHE  64           HD1      PHE  64  -8.078  -6.093   4.563
  494    HD2  PHE  64           HD2      PHE  64  -7.886  -4.880   0.516
  495    HE1  PHE  64           HE1      PHE  64  -9.746  -7.774   3.986
  496    HE2  PHE  64           HE2      PHE  64  -9.500  -6.519  -0.122
  497    HZ   PHE  64           HZ       PHE  64 -10.487  -8.028   1.629
  498    H    TRP  65           HN       TRP  65  -6.429  -1.367   4.963
  499    HA   TRP  65           HA       TRP  65  -5.901   0.789   3.267
  500    HB2  TRP  65           HB2      TRP  65  -4.398  -0.058   5.734
  501    HB3  TRP  65           HB1      TRP  65  -4.273   1.507   4.971
  502    HD1  TRP  65           HD1      TRP  65  -5.866  -0.137   7.777
  503    HE1  TRP  65           HE1      TRP  65  -7.825   1.236   8.705
  504    HE3  TRP  65           HE3      TRP  65  -6.552   3.098   3.860
  505    HZ2  TRP  65           HZ2      TRP  65  -9.439   3.367   7.902
  506    HZ3  TRP  65           HZ3      TRP  65  -8.346   4.776   4.043
  507    HH2  TRP  65           HH2      TRP  65  -9.767   4.888   6.054
  508    H    ILE  66           HN       ILE  66  -4.308   1.224   1.873
  509    HA   ILE  66           HA       ILE  66  -1.866  -0.366   2.057
  510    HB   ILE  66           HB       ILE  66  -1.319   0.135  -0.305
  511   HG12  ILE  66          HG12      ILE  66  -2.848   2.188  -0.509
  512   HG13  ILE  66          HG11      ILE  66  -2.766   1.131  -1.905
  513   HG21  ILE  66          HG21      ILE  66  -2.861  -1.412  -1.412
  514   HG22  ILE  66          HG22      ILE  66  -3.891  -1.374   0.022
  515   HG23  ILE  66          HG23      ILE  66  -2.238  -1.990   0.129
  516   HD11  ILE  66          HD11      ILE  66  -5.031   1.901  -1.500
  517   HD12  ILE  66          HD12      ILE  66  -4.989   1.222   0.126
  518   HD13  ILE  66          HD13      ILE  66  -4.922   0.157  -1.278
  519    H    GLY  67           HN       GLY  67   0.021   1.195   0.890
  520    HA2  GLY  67           HA2      GLY  67   0.165   3.222   2.915
  521    HA3  GLY  67           HA1      GLY  67   1.410   2.806   1.759
  522    H    LEU  68           HN       LEU  68  -1.876   3.871   1.176
  523    HA   LEU  68           HA       LEU  68  -0.838   6.110  -0.384
  524    HB2  LEU  68           HB2      LEU  68  -3.339   4.527  -0.515
  525    HB3  LEU  68           HB1      LEU  68  -3.341   6.172  -1.113
  526    HG   LEU  68           HG       LEU  68  -1.469   4.027  -2.089
  527   HD11  LEU  68          HD11      LEU  68  -2.909   3.955  -4.050
  528   HD12  LEU  68          HD12      LEU  68  -3.995   5.134  -3.314
  529   HD13  LEU  68          HD13      LEU  68  -3.824   3.527  -2.606
  530   HD21  LEU  68          HD21      LEU  68  -0.674   6.369  -2.305
  531   HD22  LEU  68          HD22      LEU  68  -2.152   6.751  -3.193
  532   HD23  LEU  68          HD23      LEU  68  -0.993   5.596  -3.847
  533    H    ARG  69           HN       ARG  69  -0.808   7.922   0.531
  534    HA   ARG  69           HA       ARG  69  -2.993   8.643   2.316
  535    HB2  ARG  69           HB2      ARG  69  -1.374  10.117   3.481
  536    HB3  ARG  69           HB1      ARG  69  -1.072   8.389   3.661
  537    HG2  ARG  69           HG2      ARG  69   0.769   8.532   2.076
  538    HG3  ARG  69           HG1      ARG  69   0.390  10.224   1.745
  539    HD2  ARG  69           HD2      ARG  69   0.859  10.772   4.059
  540    HD3  ARG  69           HD1      ARG  69   1.279   9.092   4.394
  541    HE   ARG  69           HE       ARG  69   2.948   9.741   2.391
  542   HH11  ARG  69          HH11      ARG  69   2.146  11.435   5.424
  543   HH12  ARG  69          HH12      ARG  69   3.704  12.034   5.673
  544   HH21  ARG  69          HH21      ARG  69   5.147  10.700   2.708
  545   HH22  ARG  69          HH22      ARG  69   5.403  11.667   4.072
  546    H    TYR  70           HN       TYR  70  -3.912  10.562   1.941
  547    HA   TYR  70           HA       TYR  70  -3.183  11.817  -0.559
  548    HB2  TYR  70           HB2      TYR  70  -5.525  11.113  -0.009
  549    HB3  TYR  70           HB1      TYR  70  -5.550  12.302   1.275
  550    HD1  TYR  70           HD2      TYR  70  -4.355  12.413  -2.232
  551    HD2  TYR  70           HD1      TYR  70  -6.988  13.955   0.705
  552    HE1  TYR  70           HE2      TYR  70  -5.194  14.030  -3.840
  553    HE2  TYR  70           HE1      TYR  70  -7.839  15.581  -0.907
  554    HH   TYR  70           HH       TYR  70  -6.854  15.394  -4.252
  555    H    THR  71           HN       THR  71  -1.790  13.460  -0.442
  556    HA   THR  71           HA       THR  71  -1.418  14.658   2.161
  557    HB   THR  71           HB       THR  71   0.690  15.598   1.111
  558    HG1  THR  71           HG1      THR  71  -0.369  14.782  -1.114
  559   HG21  THR  71          HG21      THR  71   0.336  12.593   1.256
  560   HG22  THR  71          HG22      THR  71   0.694  13.655   2.611
  561   HG23  THR  71          HG23      THR  71   1.880  13.442   1.323
  562    H    LEU  72           HN       LEU  72  -2.350  16.467   2.636
  563    HA   LEU  72           HA       LEU  72  -2.618  18.486   0.540
  564    HB2  LEU  72           HB2      LEU  72  -4.418  18.069   2.939
  565    HB3  LEU  72           HB1      LEU  72  -4.589  19.354   1.763
  566    HG   LEU  72           HG       LEU  72  -5.050  16.400   1.309
  567   HD11  LEU  72          HD11      LEU  72  -6.874  17.663   2.411
  568   HD12  LEU  72          HD12      LEU  72  -7.280  17.065   0.786
  569   HD13  LEU  72          HD13      LEU  72  -6.845  18.756   1.010
  570   HD21  LEU  72          HD21      LEU  72  -3.960  17.327  -0.631
  571   HD22  LEU  72          HD22      LEU  72  -5.120  18.657  -0.661
  572   HD23  LEU  72          HD23      LEU  72  -5.662  17.006  -0.962
  573    HA   PRO  73           HA       PRO  73  -3.076  20.488   0.491
  574    HB2  PRO  73           HB2      PRO  73  -1.681  22.873   0.067
  575    HB3  PRO  73           HB1      PRO  73  -3.180  22.688   1.004
  576    HG2  PRO  73           HG2      PRO  73  -0.606  23.359   2.005
  577    HG3  PRO  73           HG1      PRO  73  -2.105  23.120   2.914
  578    HD2  PRO  73           HD2      PRO  73   0.153  21.265   2.537
  579    HD3  PRO  73           HD1      PRO  73  -1.087  21.296   3.803
  580    H    ASP  74           HN       ASP  74  -2.633  19.817  -1.467
  581    HA   ASP  74           HA       ASP  74  -0.395  20.112  -3.065
  582    HB2  ASP  74           HB2      ASP  74   0.953  18.841  -1.534
  583    HB3  ASP  74           HB1      ASP  74  -0.299  17.619  -1.364
  584    H    MET  75           HN       MET  75  -2.654  17.720  -1.915
  585    HA   MET  75           HA       MET  75  -4.430  16.735  -2.814
  586    HB2  MET  75           HB2      MET  75  -4.027  18.766  -4.961
  587    HB3  MET  75           HB1      MET  75  -5.217  17.490  -5.168
  588    HG2  MET  75           HG2      MET  75  -6.443  18.183  -3.304
  589    HG3  MET  75           HG1      MET  75  -5.245  19.316  -2.742
  590    HE1  MET  75           HE1      MET  75  -5.498  22.056  -5.625
  591    HE2  MET  75           HE2      MET  75  -4.467  20.635  -5.709
  592    HE3  MET  75           HE3      MET  75  -4.600  21.537  -4.196
  593    H    ASN  76           HN       ASN  76  -1.467  16.004  -3.645
  594    HA   ASN  76           HA       ASN  76  -2.450  14.002  -5.509
  595    HB2  ASN  76           HB2      ASN  76   0.363  14.928  -4.940
  596    HB3  ASN  76           HB1      ASN  76   0.034  13.403  -5.753
  597   HD21  ASN  76          HD21      ASN  76  -0.890  13.453  -7.796
  598   HD22  ASN  76          HD22      ASN  76  -0.839  14.850  -8.801
  599    H    TRP  77           HN       TRP  77  -1.897  11.856  -5.186
  600    HA   TRP  77           HA       TRP  77  -1.894  11.115  -2.403
  601    HB2  TRP  77           HB2      TRP  77  -2.200   9.554  -4.954
  602    HB3  TRP  77           HB1      TRP  77  -2.126   8.812  -3.363
  603    HD1  TRP  77           HD1      TRP  77  -4.406  11.012  -5.530
  604    HE1  TRP  77           HE1      TRP  77  -6.796  10.851  -4.558
  605    HE3  TRP  77           HE3      TRP  77  -3.377   8.358  -1.330
  606    HZ2  TRP  77           HZ2      TRP  77  -8.050   9.759  -2.296
  607    HZ3  TRP  77           HZ3      TRP  77  -5.209   7.786   0.194
  608    HH2  TRP  77           HH2      TRP  77  -7.494   8.473  -0.276
  609    H    LYS  78           HN       LYS  78  -0.166  10.501  -1.394
  610    HA   LYS  78           HA       LYS  78   2.164   9.725  -2.979
  611    HB2  LYS  78           HB2      LYS  78   2.090  11.229  -0.372
  612    HB3  LYS  78           HB1      LYS  78   3.539  10.530  -1.068
  613    HG2  LYS  78           HG2      LYS  78   3.269  11.946  -3.017
  614    HG3  LYS  78           HG1      LYS  78   1.856  12.711  -2.269
  615    HD2  LYS  78           HD2      LYS  78   3.291  13.334  -0.334
  616    HD3  LYS  78           HD1      LYS  78   4.674  12.668  -1.202
  617    HE2  LYS  78           HE2      LYS  78   4.594  15.080  -1.437
  618    HE3  LYS  78           HE1      LYS  78   4.326  14.286  -2.985
  619    HZ1  LYS  78           HZ1      LYS  78   2.829  16.171  -2.496
  620    HZ2  LYS  78           HZ2      LYS  78   2.139  15.291  -1.256
  621    HZ3  LYS  78           HZ3      LYS  78   1.973  14.776  -2.827
  622    H    TRP  79           HN       TRP  79   3.507   8.263  -1.950
  623    HA   TRP  79           HA       TRP  79   1.988   6.432  -0.287
  624    HB2  TRP  79           HB2      TRP  79   4.694   5.942  -1.588
  625    HB3  TRP  79           HB1      TRP  79   3.624   4.793  -0.822
  626    HD1  TRP  79           HD1      TRP  79   3.967   6.824  -4.023
  627    HE1  TRP  79           HE1      TRP  79   2.489   5.787  -5.813
  628    HE3  TRP  79           HE3      TRP  79   1.539   3.424  -1.118
  629    HZ2  TRP  79           HZ2      TRP  79   0.497   3.802  -5.972
  630    HZ3  TRP  79           HZ3      TRP  79  -0.162   2.003  -2.169
  631    HH2  TRP  79           HH2      TRP  79  -0.668   2.206  -4.547
  632    H    ILE  80           HN       ILE  80   3.545   5.262   1.327
  633    HA   ILE  80           HA       ILE  80   4.376   7.255   3.190
  634    HB   ILE  80           HB       ILE  80   5.027   5.405   4.661
  635   HG12  ILE  80          HG12      ILE  80   4.263   3.574   2.383
  636   HG13  ILE  80          HG11      ILE  80   5.930   3.962   2.800
  637   HG21  ILE  80          HG21      ILE  80   2.683   6.070   4.572
  638   HG22  ILE  80          HG22      ILE  80   2.812   4.328   4.822
  639   HG23  ILE  80          HG23      ILE  80   2.403   4.961   3.230
  640   HD11  ILE  80          HD11      ILE  80   5.218   1.796   3.708
  641   HD12  ILE  80          HD12      ILE  80   3.917   2.591   4.586
  642   HD13  ILE  80          HD13      ILE  80   5.594   2.930   4.999
  643    H    ASN  81           HN       ASN  81   5.999   5.444   0.761
  644    HA   ASN  81           HA       ASN  81   8.609   5.874   1.891
  645    HB2  ASN  81           HB2      ASN  81   9.508   4.745  -0.049
  646    HB3  ASN  81           HB1      ASN  81   8.103   3.848   0.509
  647   HD21  ASN  81          HD21      ASN  81   9.365   3.864  -2.081
  648   HD22  ASN  81          HD22      ASN  81   8.163   4.383  -3.207
  649    H    GLY  82           HN       GLY  82   6.410   7.510  -0.085
  650    HA2  GLY  82           HA2      GLY  82   6.648   9.909  -0.249
  651    HA3  GLY  82           HA1      GLY  82   8.376   9.676  -0.449
  652    H    SER  83           HN       SER  83   6.749   7.366  -2.183
  653    HA   SER  83           HA       SER  83   7.310   8.536  -4.702
  654    HB2  SER  83           HB2      SER  83   5.936   6.101  -3.731
  655    HB3  SER  83           HB1      SER  83   5.976   6.502  -5.438
  656    HG   SER  83           HG       SER  83   7.806   5.393  -5.250
  657    H    THR  84           HN       THR  84   5.570   8.498  -6.466
  658    HA   THR  84           HA       THR  84   3.189   9.900  -5.535
  659    HB   THR  84           HB       THR  84   4.318   9.689  -8.345
  660    HG1  THR  84           HG1      THR  84   5.357  10.947  -6.284
  661   HG21  THR  84          HG21      THR  84   1.950  10.366  -8.195
  662   HG22  THR  84          HG22      THR  84   2.961  11.691  -8.763
  663   HG23  THR  84          HG23      THR  84   2.397  11.667  -7.090
  664    H    LEU  85           HN       LEU  85   1.248   9.051  -5.951
  665    HA   LEU  85           HA       LEU  85   0.755   6.354  -6.543
  666    HB2  LEU  85           HB2      LEU  85  -0.843   7.581  -5.302
  667    HB3  LEU  85           HB1      LEU  85  -1.051   8.743  -6.598
  668    HG   LEU  85           HG       LEU  85  -2.021   6.885  -7.988
  669   HD11  LEU  85          HD11      LEU  85  -2.812   4.890  -6.971
  670   HD12  LEU  85          HD12      LEU  85  -2.225   5.411  -5.401
  671   HD13  LEU  85          HD13      LEU  85  -1.074   5.023  -6.685
  672   HD21  LEU  85          HD21      LEU  85  -3.464   7.591  -5.450
  673   HD22  LEU  85          HD22      LEU  85  -4.208   6.958  -6.920
  674   HD23  LEU  85          HD23      LEU  85  -3.432   8.541  -6.934
  675    H    ASN  86           HN       ASN  86   0.217   5.233  -8.309
  676    HA   ASN  86           HA       ASN  86   0.077   6.501 -10.940
  677    HB2  ASN  86           HB2      ASN  86   1.424   4.355 -10.559
  678    HB3  ASN  86           HB1      ASN  86  -0.081   3.553 -10.174
  679   HD21  ASN  86          HD21      ASN  86   1.828   2.891 -12.223
  680   HD22  ASN  86          HD22      ASN  86   1.017   2.953 -13.728
  681    H    SER  87           HN       SER  87  -1.959   7.556 -10.623
  682    HA   SER  87           HA       SER  87  -4.215   6.235  -9.538
  683    HB2  SER  87           HB2      SER  87  -5.355   8.328 -10.543
  684    HB3  SER  87           HB1      SER  87  -4.181   8.541  -9.241
  685    HG   SER  87           HG       SER  87  -3.706   8.848 -12.036
  686    H    ASP  88           HN       ASP  88  -2.773   5.900 -12.470
  687    HA   ASP  88           HA       ASP  88  -5.083   5.788 -14.115
  688    HB2  ASP  88           HB2      ASP  88  -2.212   5.088 -14.602
  689    HB3  ASP  88           HB1      ASP  88  -3.461   4.862 -15.820
  690    H    VAL  89           HN       VAL  89  -3.689   3.527 -11.960
  691    HA   VAL  89           HA       VAL  89  -4.397   1.269 -13.545
  692    HB   VAL  89           HB       VAL  89  -3.838  -0.160 -11.636
  693   HG11  VAL  89          HG11      VAL  89  -1.805   2.025 -12.041
  694   HG12  VAL  89          HG12      VAL  89  -2.017   0.599 -13.047
  695   HG13  VAL  89          HG13      VAL  89  -1.468   0.426 -11.381
  696   HG21  VAL  89          HG21      VAL  89  -3.459   2.396 -10.071
  697   HG22  VAL  89          HG22      VAL  89  -3.023   0.769  -9.516
  698   HG23  VAL  89          HG23      VAL  89  -4.714   1.173  -9.839
  699    H    LEU  90           HN       LEU  90  -6.007   2.836 -10.763
  700    HA   LEU  90           HA       LEU  90  -8.474   1.487 -11.441
  701    HB2  LEU  90           HB2      LEU  90  -7.122   1.154  -8.760
  702    HB3  LEU  90           HB1      LEU  90  -8.788   0.731  -9.069
  703    HG   LEU  90           HG       LEU  90  -6.398  -0.538 -10.398
  704   HD11  LEU  90          HD11      LEU  90  -6.556  -1.071  -8.000
  705   HD12  LEU  90          HD12      LEU  90  -6.906  -2.486  -8.992
  706   HD13  LEU  90          HD13      LEU  90  -8.226  -1.599  -8.224
  707   HD21  LEU  90          HD21      LEU  90  -8.405  -0.620 -11.787
  708   HD22  LEU  90          HD22      LEU  90  -9.319  -1.320 -10.447
  709   HD23  LEU  90          HD23      LEU  90  -7.992  -2.217 -11.179
  710    H    LYS  91           HN       LYS  91 -10.093   2.218  -9.505
  711    HA   LYS  91           HA       LYS  91 -10.163   5.016  -9.886
  712    HB2  LYS  91           HB2      LYS  91 -12.118   5.015  -8.383
  713    HB3  LYS  91           HB1      LYS  91 -12.304   4.077  -9.876
  714    HG2  LYS  91           HG2      LYS  91 -12.435   2.102  -8.704
  715    HG3  LYS  91           HG1      LYS  91 -11.459   2.710  -7.366
  716    HD2  LYS  91           HD2      LYS  91 -13.743   2.390  -6.617
  717    HD3  LYS  91           HD1      LYS  91 -13.358   4.103  -6.664
  718    HE2  LYS  91           HE2      LYS  91 -14.866   2.688  -8.862
  719    HE3  LYS  91           HE1      LYS  91 -15.646   3.418  -7.465
  720    HZ1  LYS  91           HZ1      LYS  91 -14.664   5.570  -8.146
  721    HZ2  LYS  91           HZ2      LYS  91 -15.729   4.966  -9.260
  722    HZ3  LYS  91           HZ3      LYS  91 -14.080   4.879  -9.574
  723    H    ILE  92           HN       ILE  92  -8.644   6.126  -8.935
  724    HA   ILE  92           HA       ILE  92  -9.094   6.460  -6.068
  725    HB   ILE  92           HB       ILE  92  -6.313   6.678  -7.251
  726   HG12  ILE  92          HG12      ILE  92  -7.663   4.306  -5.965
  727   HG13  ILE  92          HG11      ILE  92  -6.923   4.395  -7.529
  728   HG21  ILE  92          HG21      ILE  92  -6.751   7.919  -5.182
  729   HG22  ILE  92          HG22      ILE  92  -5.652   6.577  -4.863
  730   HG23  ILE  92          HG23      ILE  92  -7.350   6.450  -4.410
  731   HD11  ILE  92          HD11      ILE  92  -5.483   3.162  -6.022
  732   HD12  ILE  92          HD12      ILE  92  -5.434   4.560  -4.946
  733   HD13  ILE  92          HD13      ILE  92  -4.718   4.666  -6.559
  734    H    THR  93           HN       THR  93 -10.192   8.365  -6.404
  735    HA   THR  93           HA       THR  93  -9.684  10.257  -8.367
  736    HB   THR  93           HB       THR  93 -10.885  10.793  -5.672
  737    HG1  THR  93           HG1      THR  93 -12.167   9.628  -7.956
  738   HG21  THR  93          HG21      THR  93 -12.374  12.262  -6.995
  739   HG22  THR  93          HG22      THR  93 -11.500  11.797  -8.458
  740   HG23  THR  93          HG23      THR  93 -10.675  12.703  -7.192
  741    H    GLY  94           HN       GLY  94  -8.127  11.814  -8.471
  742    HA2  GLY  94           HA2      GLY  94  -6.285  11.976  -6.281
  743    HA3  GLY  94           HA1      GLY  94  -6.067  12.664  -7.902
  744    H    ASP  95           HN       ASP  95  -8.497  13.973  -8.135
  745    HA   ASP  95           HA       ASP  95  -7.972  15.973  -6.219
  746    HB2  ASP  95           HB2      ASP  95  -9.352  17.512  -7.658
  747    HB3  ASP  95           HB1      ASP  95  -7.927  16.832  -8.423
  748    H    THR  96           HN       THR  96  -8.893  15.286  -4.453
  749    HA   THR  96           HA       THR  96 -11.817  15.162  -4.440
  750    HB   THR  96           HB       THR  96 -11.100  12.833  -4.211
  751    HG1  THR  96           HG1      THR  96 -12.780  12.829  -2.908
  752   HG21  THR  96          HG21      THR  96  -8.833  13.164  -3.342
  753   HG22  THR  96          HG22      THR  96  -9.722  12.081  -2.272
  754   HG23  THR  96          HG23      THR  96  -9.478  13.763  -1.822
  755    H    GLU  97           HN       GLU  97  -8.928  16.074  -2.705
  756    HA   GLU  97           HA       GLU  97  -8.541  17.618  -1.113
  757    HB2  GLU  97           HB2      GLU  97 -11.335  18.653  -1.606
  758    HB3  GLU  97           HB1      GLU  97  -9.915  19.558  -1.104
  759    HG2  GLU  97           HG2      GLU  97  -8.910  19.022  -3.381
  760    HG3  GLU  97           HG1      GLU  97 -10.448  18.325  -3.774
  761    H    ASN  98           HN       ASN  98  -9.581  15.096  -0.203
  762    HA   ASN  98           HA       ASN  98 -11.085  15.953   2.176
  763    HB2  ASN  98           HB2      ASN  98 -11.314  13.387   0.622
  764    HB3  ASN  98           HB1      ASN  98 -11.756  13.439   2.319
  765   HD21  ASN  98          HD21      ASN  98 -12.680  14.254  -0.922
  766   HD22  ASN  98          HD22      ASN  98 -14.206  14.922  -0.512
  767    H    ASP  99           HN       ASP  99 -10.877  14.145   3.933
  768    HA   ASP  99           HA       ASP  99  -8.136  14.132   4.894
  769    HB2  ASP  99           HB2      ASP  99 -10.278  14.620   6.219
  770    HB3  ASP  99           HB1      ASP  99 -10.648  12.916   6.089
  771    H    SER 100           HN       SER 100  -8.756  12.546   2.593
  772    HA   SER 100           HA       SER 100  -9.391   9.852   3.146
  773    HB2  SER 100           HB2      SER 100  -8.291  11.075   0.652
  774    HB3  SER 100           HB1      SER 100  -9.181   9.561   0.808
  775    HG   SER 100           HG       SER 100 -10.932  10.875   1.670
  776    H    CYS 101           HN       CYS 101  -8.218   8.126   3.315
  777    HA   CYS 101           HA       CYS 101  -5.512   7.932   2.257
  778    HB2  CYS 101           HB2      CYS 101  -6.617   6.825   4.871
  779    HB3  CYS 101           HB1      CYS 101  -5.188   6.146   4.100
  780    H    ALA 102           HN       ALA 102  -5.266   5.771   1.229
  781    HA   ALA 102           HA       ALA 102  -7.940   4.908   0.422
  782    HB1  ALA 102           HB1      ALA 102  -7.033   4.167  -1.685
  783    HB2  ALA 102           HB2      ALA 102  -5.392   4.503  -1.144
  784    HB3  ALA 102           HB3      ALA 102  -6.537   5.824  -1.380
  785    H    ALA 103           HN       ALA 103  -8.438   2.775  -0.066
  786    HA   ALA 103           HA       ALA 103  -6.847   0.677   1.178
  787    HB1  ALA 103           HB1      ALA 103  -8.365   1.468   2.938
  788    HB2  ALA 103           HB2      ALA 103  -8.827  -0.145   2.390
  789    HB3  ALA 103           HB3      ALA 103  -9.739   1.261   1.850
  790    H    ILE 104           HN       ILE 104  -7.284  -1.313   0.273
  791    HA   ILE 104           HA       ILE 104  -8.643  -1.445  -2.313
  792    HB   ILE 104           HB       ILE 104  -7.244  -3.463  -0.544
  793   HG12  ILE 104          HG12      ILE 104  -5.856  -1.857  -1.895
  794   HG13  ILE 104          HG11      ILE 104  -5.505  -3.561  -2.162
  795   HG21  ILE 104          HG21      ILE 104  -8.583  -4.093  -3.185
  796   HG22  ILE 104          HG22      ILE 104  -9.032  -4.725  -1.600
  797   HG23  ILE 104          HG23      ILE 104  -7.500  -5.184  -2.324
  798   HD11  ILE 104          HD11      ILE 104  -5.528  -2.230  -4.226
  799   HD12  ILE 104          HD12      ILE 104  -7.257  -1.896  -3.956
  800   HD13  ILE 104          HD13      ILE 104  -6.684  -3.556  -4.193
  801    H    SER 105           HN       SER 105 -10.681  -1.929  -2.610
  802    HA   SER 105           HA       SER 105 -11.926  -3.596  -0.626
  803    HB2  SER 105           HB2      SER 105 -12.374  -1.035  -0.234
  804    HB3  SER 105           HB1      SER 105 -13.456  -1.197  -1.616
  805    HG   SER 105           HG       SER 105 -13.670  -3.158   0.294
  806    H    GLY 106           HN       GLY 106 -11.819  -5.181  -2.059
  807    HA2  GLY 106           HA2      GLY 106 -13.009  -6.558  -3.520
  808    HA3  GLY 106           HA1      GLY 106 -13.845  -5.138  -4.153
  809    H    ASP 107           HN       ASP 107 -13.385  -4.932  -6.176
  810    HA   ASP 107           HA       ASP 107 -10.647  -5.429  -7.151
  811    HB2  ASP 107           HB2      ASP 107 -13.266  -5.043  -8.616
  812    HB3  ASP 107           HB1      ASP 107 -11.713  -5.178  -9.420
  813    H    LYS 108           HN       LYS 108 -12.073  -3.098  -5.688
  814    HA   LYS 108           HA       LYS 108 -11.283  -0.947  -7.531
  815    HB2  LYS 108           HB2      LYS 108 -13.275  -0.705  -5.286
  816    HB3  LYS 108           HB1      LYS 108 -12.975   0.414  -6.596
  817    HG2  LYS 108           HG2      LYS 108 -14.331  -2.268  -6.803
  818    HG3  LYS 108           HG1      LYS 108 -15.091  -0.681  -6.858
  819    HD2  LYS 108           HD2      LYS 108 -13.804  -0.188  -8.914
  820    HD3  LYS 108           HD1      LYS 108 -13.163  -1.835  -8.860
  821    HE2  LYS 108           HE2      LYS 108 -15.460  -2.712  -8.944
  822    HE3  LYS 108           HE1      LYS 108 -16.068  -1.065  -9.063
  823    HZ1  LYS 108           HZ1      LYS 108 -14.865  -0.841 -11.171
  824    HZ2  LYS 108           HZ2      LYS 108 -15.980  -2.128 -11.193
  825    HZ3  LYS 108           HZ3      LYS 108 -14.343  -2.448 -11.029
  826    H    VAL 109           HN       VAL 109 -10.641   0.996  -6.298
  827    HA   VAL 109           HA       VAL 109  -9.469   0.370  -3.691
  828    HB   VAL 109           HB       VAL 109  -8.657   2.640  -5.493
  829   HG11  VAL 109          HG11      VAL 109  -7.246   1.307  -3.185
  830   HG12  VAL 109          HG12      VAL 109  -8.070   2.862  -3.159
  831   HG13  VAL 109          HG13      VAL 109  -6.609   2.659  -4.126
  832   HG21  VAL 109          HG21      VAL 109  -6.678   1.346  -6.203
  833   HG22  VAL 109          HG22      VAL 109  -8.195   0.679  -6.780
  834   HG23  VAL 109          HG23      VAL 109  -7.360  -0.088  -5.420
  835    H    THR 110           HN       THR 110 -10.225   1.710  -2.102
  836    HA   THR 110           HA       THR 110 -11.941   3.880  -2.992
  837    HB   THR 110           HB       THR 110 -13.449   3.320  -1.079
  838    HG1  THR 110           HG1      THR 110 -12.898   1.761   0.325
  839   HG21  THR 110          HG21      THR 110 -12.893   0.949  -2.854
  840   HG22  THR 110          HG22      THR 110 -13.908   2.315  -3.324
  841   HG23  THR 110          HG23      THR 110 -14.412   1.240  -2.009
  842    H    PHE 111           HN       PHE 111 -12.257   5.412  -1.015
  843    HA   PHE 111           HA       PHE 111  -9.974   5.412   0.732
  844    HB2  PHE 111           HB2      PHE 111  -9.396   7.791   0.084
  845    HB3  PHE 111           HB1      PHE 111  -8.911   6.537  -1.043
  846    HD1  PHE 111           HD1      PHE 111 -11.255   9.312  -0.461
  847    HD2  PHE 111           HD2      PHE 111  -9.829   6.417  -3.238
  848    HE1  PHE 111           HE1      PHE 111 -12.432  10.476  -2.273
  849    HE2  PHE 111           HE2      PHE 111 -11.003   7.558  -5.040
  850    HZ   PHE 111           HZ       PHE 111 -12.315   9.602  -4.568
  851    H    GLU 112           HN       GLU 112 -10.196   6.578   2.546
  852    HA   GLU 112           HA       GLU 112 -12.504   8.217   2.980
  853    HB2  GLU 112           HB2      GLU 112 -13.083   6.671   4.996
  854    HB3  GLU 112           HB1      GLU 112 -13.725   6.258   3.392
  855    HG2  GLU 112           HG2      GLU 112 -11.702   4.703   3.248
  856    HG3  GLU 112           HG1      GLU 112 -11.493   5.017   4.972
  857    H    SER 113           HN       SER 113 -12.560   8.658   5.490
  858    HA   SER 113           HA       SER 113 -10.246   9.979   6.273
  859    HB2  SER 113           HB2      SER 113 -12.391   8.758   8.017
  860    HB3  SER 113           HB1      SER 113 -11.312  10.090   8.439
  861    HG   SER 113           HG       SER 113 -12.440  10.717   6.165
  862    H    CYS 114           HN       CYS 114  -8.363   9.267   6.980
  863    HA   CYS 114           HA       CYS 114  -7.494   6.645   6.876
  864    HB2  CYS 114           HB2      CYS 114  -6.242   8.763   8.612
  865    HB3  CYS 114           HB1      CYS 114  -5.449   7.468   7.726
  866    H    ASN 115           HN       ASN 115  -9.051   8.245   9.435
  867    HA   ASN 115           HA       ASN 115  -8.161   6.545  11.560
  868    HB2  ASN 115           HB2      ASN 115  -9.689   7.781  12.969
  869    HB3  ASN 115           HB1      ASN 115  -8.727   8.882  11.989
  870   HD21  ASN 115          HD21      ASN 115  -9.746  10.051  10.386
  871   HD22  ASN 115          HD22      ASN 115 -11.451  10.224  10.268
  872    H    SER 116           HN       SER 116 -10.435   5.836   9.087
  873    HA   SER 116           HA       SER 116 -12.343   4.687  10.817
  874    HB2  SER 116           HB2      SER 116 -13.174   3.623   8.647
  875    HB3  SER 116           HB1      SER 116 -13.173   5.393   8.713
  876    HG   SER 116           HG       SER 116 -12.297   4.155   6.809
  877    H    ASP 117           HN       ASP 117 -12.616   2.697  11.520
  878    HA   ASP 117           HA       ASP 117 -10.463   0.915  11.809
  879    HB2  ASP 117           HB2      ASP 117 -12.190   0.982  13.446
  880    HB3  ASP 117           HB1      ASP 117 -13.441   0.612  12.256
  881    H    ASN 118           HN       ASN 118  -9.584   0.102  10.048
  882    HA   ASN 118           HA       ASN 118 -11.168  -1.737   8.438
  883    HB2  ASN 118           HB2      ASN 118  -9.524   0.510   7.278
  884    HB3  ASN 118           HB1      ASN 118  -9.844  -0.962   6.380
  885   HD21  ASN 118          HD21      ASN 118 -11.105   2.017   7.516
  886   HD22  ASN 118          HD22      ASN 118 -12.601   1.938   6.665
  887    H    ARG 119           HN       ARG 119  -9.881  -3.176   7.267
  888    HA   ARG 119           HA       ARG 119  -7.627  -4.104   8.780
  889    HB2  ARG 119           HB2      ARG 119  -8.761  -5.142   6.165
  890    HB3  ARG 119           HB1      ARG 119  -7.662  -5.963   7.238
  891    HG2  ARG 119           HG2      ARG 119  -9.359  -6.863   8.290
  892    HG3  ARG 119           HG1      ARG 119  -9.885  -5.257   8.783
  893    HD2  ARG 119           HD2      ARG 119 -10.610  -6.572   6.177
  894    HD3  ARG 119           HD1      ARG 119 -11.629  -6.570   7.614
  895    HE   ARG 119           HE       ARG 119 -10.852  -4.227   6.032
  896   HH11  ARG 119          HH11      ARG 119 -13.183  -5.909   8.150
  897   HH12  ARG 119          HH12      ARG 119 -14.197  -4.569   8.348
  898   HH21  ARG 119          HH21      ARG 119 -12.459  -2.287   6.339
  899   HH22  ARG 119          HH22      ARG 119 -13.794  -2.590   7.311
  900    H    TRP 120           HN       TRP 120  -5.678  -4.960   7.092
  901    HA   TRP 120           HA       TRP 120  -5.076  -2.770   5.300
  902    HB2  TRP 120           HB2      TRP 120  -3.151  -1.878   6.424
  903    HB3  TRP 120           HB1      TRP 120  -4.490  -1.850   7.558
  904    HD1  TRP 120           HD1      TRP 120  -1.027  -3.156   7.081
  905    HE1  TRP 120           HE1      TRP 120  -0.269  -4.466   9.117
  906    HE3  TRP 120           HE3      TRP 120  -5.497  -3.483   9.507
  907    HZ2  TRP 120           HZ2      TRP 120  -1.415  -5.534  11.480
  908    HZ3  TRP 120           HZ3      TRP 120  -5.576  -4.666  11.648
  909    HH2  TRP 120           HH2      TRP 120  -3.580  -5.673  12.617
  910    H    ILE 121           HN       ILE 121  -2.870  -2.952   4.334
  911    HA   ILE 121           HA       ILE 121  -2.013  -5.754   4.186
  912    HB   ILE 121           HB       ILE 121  -2.188  -3.775   1.898
  913   HG12  ILE 121          HG12      ILE 121  -3.633  -6.391   2.257
  914   HG13  ILE 121          HG11      ILE 121  -4.338  -4.845   2.705
  915   HG21  ILE 121          HG21      ILE 121  -1.422  -5.637   0.487
  916   HG22  ILE 121          HG22      ILE 121  -1.259  -6.660   1.912
  917   HG23  ILE 121          HG23      ILE 121  -0.217  -5.252   1.718
  918   HD11  ILE 121          HD11      ILE 121  -3.398  -5.637  -0.022
  919   HD12  ILE 121          HD12      ILE 121  -4.177  -4.108   0.402
  920   HD13  ILE 121          HD13      ILE 121  -5.081  -5.627   0.512
  921    H    CYS 122           HN       CYS 122  -0.104  -5.933   4.871
  922    HA   CYS 122           HA       CYS 122   1.872  -3.741   4.737
  923    HB2  CYS 122           HB2      CYS 122   1.943  -6.419   6.132
  924    HB3  CYS 122           HB1      CYS 122   3.261  -5.261   6.113
  925    H    GLN 123           HN       GLN 123   3.636  -3.891   3.468
  926    HA   GLN 123           HA       GLN 123   3.990  -6.421   2.051
  927    HB2  GLN 123           HB2      GLN 123   4.808  -5.289   0.123
  928    HB3  GLN 123           HB1      GLN 123   3.337  -4.427   0.548
  929    HG2  GLN 123           HG2      GLN 123   4.511  -2.558   1.304
  930    HG3  GLN 123           HG1      GLN 123   5.976  -3.491   1.567
  931   HE21  GLN 123          HE21      GLN 123   7.277  -2.255   0.442
  932   HE22  GLN 123          HE22      GLN 123   7.279  -2.103  -1.265
  933    H    LYS 124           HN       LYS 124   5.992  -7.245   2.260
  934    HA   LYS 124           HA       LYS 124   7.962  -5.470   3.483
  935    HB2  LYS 124           HB2      LYS 124   7.428  -7.520   4.801
  936    HB3  LYS 124           HB1      LYS 124   7.906  -8.498   3.425
  937    HG2  LYS 124           HG2      LYS 124  10.179  -7.423   3.599
  938    HG3  LYS 124           HG1      LYS 124   9.631  -6.745   5.126
  939    HD2  LYS 124           HD2      LYS 124   9.594  -9.711   4.550
  940    HD3  LYS 124           HD1      LYS 124  10.909  -8.804   5.352
  941    HE2  LYS 124           HE2      LYS 124   8.092  -8.831   6.338
  942    HE3  LYS 124           HE1      LYS 124   9.303 -10.033   6.802
  943    HZ1  LYS 124           HZ1      LYS 124   9.620  -7.081   7.204
  944    HZ2  LYS 124           HZ2      LYS 124  10.707  -8.282   7.588
  945    HZ3  LYS 124           HZ3      LYS 124   9.265  -8.226   8.409
  946    H    GLU 125           HN       GLU 125   9.204  -4.694   1.970
  947    HA   GLU 125           HA       GLU 125   9.159  -6.025  -0.559
  948    HB2  GLU 125           HB2      GLU 125   8.838  -3.573  -0.317
  949    HB3  GLU 125           HB1      GLU 125  10.523  -3.431   0.172
  950    HG2  GLU 125           HG2      GLU 125  11.290  -3.963  -1.947
  951    HG3  GLU 125           HG1      GLU 125   9.772  -4.699  -2.434
  952    H    LEU 126           HN       LEU 126  10.616  -7.282  -1.275
  953    HA   LEU 126           HA       LEU 126  12.695  -8.121   0.458
  954    HB2  LEU 126           HB2      LEU 126  11.908  -8.931  -2.323
  955    HB3  LEU 126           HB1      LEU 126  13.311  -9.664  -1.643
  956    HG   LEU 126           HG       LEU 126  11.830 -11.275  -1.137
  957   HD11  LEU 126          HD11      LEU 126  11.203  -9.474   1.112
  958   HD12  LEU 126          HD12      LEU 126  12.541 -10.659   1.008
  959   HD13  LEU 126          HD13      LEU 126  10.836 -11.191   0.978
  960   HD21  LEU 126          HD21      LEU 126   9.482 -11.050  -0.754
  961   HD22  LEU 126          HD22      LEU 126   9.977 -10.300  -2.282
  962   HD23  LEU 126          HD23      LEU 126   9.611  -9.292  -0.874
  963    H    TYR 127           HN       TYR 127  12.464  -5.863  -2.005
  964    HA   TYR 127           HA       TYR 127  15.336  -5.399  -1.790
  965    HB2  TYR 127           HB2      TYR 127  13.464  -4.698  -4.044
  966    HB3  TYR 127           HB1      TYR 127  15.032  -3.918  -3.853
  967    HD1  TYR 127           HD1      TYR 127  13.479  -7.197  -4.026
  968    HD2  TYR 127           HD2      TYR 127  16.901  -4.896  -4.819
  969    HE1  TYR 127           HE1      TYR 127  14.435  -9.118  -5.153
  970    HE2  TYR 127           HE2      TYR 127  17.947  -6.790  -5.960
  971    HH   TYR 127           HH       TYR 127  16.236  -9.520  -6.887
  972    H    HIS 128           HN       HIS 128  15.132  -4.421   0.105
  973    HA   HIS 128           HA       HIS 128  13.931  -1.760  -0.037
  974    HB2  HIS 128           HB2      HIS 128  14.041  -1.772   2.514
  975    HB3  HIS 128           HB1      HIS 128  12.881  -2.869   1.789
  976    HD1  HIS 128           HD1      HIS 128  13.045  -5.275   2.448
  977    HD2  HIS 128           HD2      HIS 128  16.393  -3.097   3.582
  978    HE1  HIS 128           HE1      HIS 128  14.385  -6.817   3.886
  979    HE2  HIS 128           HE2      HIS 128  16.531  -5.578   4.276
  980    H    GLU 129           HN       GLU 129  16.766  -3.390  -0.149
  981    HA   GLU 129           HA       GLU 129  18.428  -1.175   0.804
  982    HB2  GLU 129           HB2      GLU 129  19.079  -3.968  -0.157
  983    HB3  GLU 129           HB1      GLU 129  20.284  -2.781   0.314
  984    HG2  GLU 129           HG2      GLU 129  18.145  -3.882   2.120
  985    HG3  GLU 129           HG1      GLU 129  19.816  -4.437   2.066
  986    H    THR 130           HN       THR 130  16.693  -1.400  -1.756
  987    HA   THR 130           HA       THR 130  18.270  -1.653  -4.019
  988    HB   THR 130           HB       THR 130  15.912   0.202  -3.810
  989    HG1  THR 130           HG1      THR 130  14.611  -1.550  -3.559
  990   HG21  THR 130          HG21      THR 130  15.402  -0.763  -6.009
  991   HG22  THR 130          HG22      THR 130  16.787  -1.845  -5.867
  992   HG23  THR 130          HG23      THR 130  17.039  -0.105  -5.997
  993    H    LEU 131           HN       LEU 131  16.939   1.440  -2.811
  994    HA   LEU 131           HA       LEU 131  19.484   2.725  -3.428
  995    HB2  LEU 131           HB2      LEU 131  16.730   3.775  -4.101
  996    HB3  LEU 131           HB1      LEU 131  18.203   4.711  -4.197
  997    HG   LEU 131           HG       LEU 131  17.512   2.318  -5.908
  998   HD11  LEU 131          HD11      LEU 131  16.194   4.311  -6.410
  999   HD12  LEU 131          HD12      LEU 131  17.346   3.966  -7.700
 1000   HD13  LEU 131          HD13      LEU 131  17.674   5.260  -6.547
 1001   HD21  LEU 131          HD21      LEU 131  19.923   2.484  -5.522
 1002   HD22  LEU 131          HD22      LEU 131  19.887   4.182  -5.997
 1003   HD23  LEU 131          HD23      LEU 131  19.518   2.925  -7.179
 1004    H    SER 132           HN       SER 132  20.149   3.132  -1.435
 1005    HA   SER 132           HA       SER 132  18.332   4.089   0.583
 1006    HB2  SER 132           HB2      SER 132  21.347   3.892   0.691
 1007    HB3  SER 132           HB1      SER 132  20.199   3.826   2.031
 1008    HG   SER 132           HG       SER 132  19.376   1.924   1.134
 1009    H    ASN 133           HN       ASN 133  21.010   5.106  -1.409
 1010    HA   ASN 133           HA       ASN 133  21.735   7.029  -2.261
 1011    HB2  ASN 133           HB2      ASN 133  19.126   8.237  -1.308
 1012    HB3  ASN 133           HB1      ASN 133  20.301   9.065  -2.317
 1013   HD21  ASN 133          HD21      ASN 133  17.674   6.882  -2.220
 1014   HD22  ASN 133          HD22      ASN 133  17.592   6.565  -3.906
 1015    H    TYR 134           HN       TYR 134  22.715   8.970  -1.825
 1016    HA   TYR 134           HA       TYR 134  23.892  10.482  -0.712
 1017    HB2  TYR 134           HB2      TYR 134  21.986  10.094   1.607
 1018    HB3  TYR 134           HB1      TYR 134  23.055  11.463   1.356
 1019    HD1  TYR 134           HD1      TYR 134  22.649  12.814  -0.866
 1020    HD2  TYR 134           HD2      TYR 134  19.798  10.201   0.900
 1021    HE1  TYR 134           HE1      TYR 134  20.842  13.946  -2.098
 1022    HE2  TYR 134           HE2      TYR 134  17.990  11.322  -0.329
 1023    HH   TYR 134           HH       TYR 134  17.597  13.533  -1.351
 1024    H    VAL 135           HN       VAL 135  25.376  10.865   1.000
 1025    HA   VAL 135           HA       VAL 135  26.221   8.483   2.526
 1026    HB   VAL 135           HB       VAL 135  27.932  10.904   1.749
 1027   HG11  VAL 135          HG11      VAL 135  28.785   9.686   3.680
 1028   HG12  VAL 135          HG12      VAL 135  29.859   9.474   2.296
 1029   HG13  VAL 135          HG13      VAL 135  28.755   8.180   2.763
 1030   HG21  VAL 135          HG21      VAL 135  27.269   9.750  -0.299
 1031   HG22  VAL 135          HG22      VAL 135  27.841   8.221   0.368
 1032   HG23  VAL 135          HG23      VAL 135  28.989   9.514   0.019
 1033    H    GLY 136           HN       GLY 136  24.177  10.431   2.946
 1034    HA2  GLY 136           HA2      GLY 136  23.481  11.207   5.126
 1035    HA3  GLY 136           HA1      GLY 136  25.092  11.918   5.304
 1036    H    TYR 137           HN       TYR 137  25.698  13.563   3.986
 1037    HA   TYR 137           HA       TYR 137  23.743  14.893   2.287
 1038    HB2  TYR 137           HB2      TYR 137  25.174  16.219   4.611
 1039    HB3  TYR 137           HB1      TYR 137  24.523  17.124   3.256
 1040    HD1  TYR 137           HD1      TYR 137  22.020  16.858   2.792
 1041    HD2  TYR 137           HD2      TYR 137  23.838  15.768   6.471
 1042    HE1  TYR 137           HE1      TYR 137  19.843  17.044   3.916
 1043    HE2  TYR 137           HE2      TYR 137  21.664  15.939   7.599
 1044    HH   TYR 137           HH       TYR 137  19.560  17.195   7.213
 1045    H    GLY 138           HN       GLY 138  26.965  15.123   3.704
 1046    HA2  GLY 138           HA2      GLY 138  28.645  14.502   1.827
 1047    HA3  GLY 138           HA1      GLY 138  28.043  16.023   1.167
 1048    H    HIS 139           HN       HIS 139  28.985  14.819   4.363
 1049    HA   HIS 139           HA       HIS 139  30.396  17.351   4.773
 1050    HB2  HIS 139           HB2      HIS 139  28.603  16.835   6.435
 1051    HB3  HIS 139           HB1      HIS 139  29.401  15.323   6.808
 1052    HD1  HIS 139           HD1      HIS 139  29.854  19.059   7.246
 1053    HD2  HIS 139           HD2      HIS 139  31.396  15.491   8.707
 1054    HE1  HIS 139           HE1      HIS 139  31.279  19.687   9.203
 1055    HE2  HIS 139           HE2      HIS 139  32.352  17.538   9.932
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  11.157  -9.166 -11.691
    2    H2   SER   1           HT2      SER   1  11.930 -10.662 -11.751
    3    H3   SER   1           HT3      SER   1  12.413  -9.502 -10.620
    4    HA   SER   1           HA       SER   1  10.306  -9.641  -9.532
    5    HB2  SER   1           HB2      SER   1   9.667 -11.690 -11.663
    6    HB3  SER   1           HB1      SER   1   8.599 -11.170 -10.362
    7    HG   SER   1           HG       SER   1   8.708 -10.138 -12.699
    8    H    ALA   2           HN       ALA   2  13.054 -10.915  -9.537
    9    HA   ALA   2           HA       ALA   2  12.431 -13.529  -8.425
   10    HB1  ALA   2           HB1      ALA   2  14.862 -13.887  -8.465
   11    HB2  ALA   2           HB2      ALA   2  15.089 -12.238  -9.058
   12    HB3  ALA   2           HB3      ALA   2  14.253 -13.426 -10.054
   13    H    LYS   3           HN       LYS   3  11.521 -12.939  -6.491
   14    HA   LYS   3           HA       LYS   3  12.791 -11.076  -4.753
   15    HB2  LYS   3           HB2      LYS   3  10.976 -11.241  -3.342
   16    HB3  LYS   3           HB1      LYS   3  10.258 -11.608  -4.894
   17    HG2  LYS   3           HG2      LYS   3  11.045 -13.609  -2.793
   18    HG3  LYS   3           HG1      LYS   3   9.419 -12.999  -3.033
   19    HD2  LYS   3           HD2      LYS   3  10.998 -14.579  -5.081
   20    HD3  LYS   3           HD1      LYS   3   9.789 -15.277  -4.008
   21    HE2  LYS   3           HE2      LYS   3   8.093 -13.771  -5.021
   22    HE3  LYS   3           HE1      LYS   3   9.327 -13.187  -6.133
   23    HZ1  LYS   3           HZ1      LYS   3   9.546 -15.477  -6.991
   24    HZ2  LYS   3           HZ2      LYS   3   7.983 -14.880  -7.175
   25    HZ3  LYS   3           HZ3      LYS   3   8.306 -15.982  -5.961
   26    H    LEU   4           HN       LEU   4  13.221 -11.623  -2.494
   27    HA   LEU   4           HA       LEU   4  14.959 -13.945  -2.332
   28    HB2  LEU   4           HB2      LEU   4  14.790 -11.470  -0.568
   29    HB3  LEU   4           HB1      LEU   4  15.918 -12.779  -0.358
   30    HG   LEU   4           HG       LEU   4  16.897 -12.201  -2.625
   31   HD11  LEU   4          HD11      LEU   4  16.535 -10.039  -3.598
   32   HD12  LEU   4          HD12      LEU   4  15.400  -9.606  -2.336
   33   HD13  LEU   4          HD13      LEU   4  14.965 -10.848  -3.491
   34   HD21  LEU   4          HD21      LEU   4  17.992 -11.601  -0.552
   35   HD22  LEU   4          HD22      LEU   4  17.041 -10.118  -0.456
   36   HD23  LEU   4          HD23      LEU   4  18.211 -10.339  -1.760
   37    H    GLU   5           HN       GLU   5  14.927 -14.024   0.595
   38    HA   GLU   5           HA       GLU   5  12.413 -15.479   0.802
   39    HB2  GLU   5           HB2      GLU   5  14.751 -15.543   2.702
   40    HB3  GLU   5           HB1      GLU   5  13.337 -16.558   2.784
   41    HG2  GLU   5           HG2      GLU   5  15.022 -17.926   1.889
   42    HG3  GLU   5           HG1      GLU   5  14.009 -17.487   0.522
   43    H    CYS   6           HN       CYS   6  10.862 -15.008   2.127
   44    HA   CYS   6           HA       CYS   6  11.177 -12.902   4.152
   45    HB2  CYS   6           HB2      CYS   6   8.787 -12.290   3.571
   46    HB3  CYS   6           HB1      CYS   6   9.952 -11.897   2.318
   47    HA   PRO   7           HA       PRO   7   9.280 -15.775   6.960
   48    HB2  PRO   7           HB2      PRO   7   7.117 -13.901   7.723
   49    HB3  PRO   7           HB1      PRO   7   8.389 -14.618   8.723
   50    HG2  PRO   7           HG2      PRO   7   8.476 -12.052   8.084
   51    HG3  PRO   7           HG1      PRO   7   9.949 -13.038   8.185
   52    HD2  PRO   7           HD2      PRO   7   8.456 -12.133   5.780
   53    HD3  PRO   7           HD1      PRO   7  10.207 -12.199   6.072
   54    H    GLN   8           HN       GLN   8   7.565 -17.117   7.352
   55    HA   GLN   8           HA       GLN   8   6.370 -18.349   5.299
   56    HB2  GLN   8           HB2      GLN   8   4.752 -19.258   7.076
   57    HB3  GLN   8           HB1      GLN   8   6.477 -19.555   7.229
   58    HG2  GLN   8           HG2      GLN   8   6.692 -17.875   8.915
   59    HG3  GLN   8           HG1      GLN   8   5.052 -17.302   8.624
   60   HE21  GLN   8          HE21      GLN   8   3.418 -18.256   9.616
   61   HE22  GLN   8          HE22      GLN   8   3.579 -19.581  10.722
   62    H    ASP   9           HN       ASP   9   4.644 -15.929   7.247
   63    HA   ASP   9           HA       ASP   9   2.183 -16.498   5.840
   64    HB2  ASP   9           HB2      ASP   9   2.812 -14.516   8.019
   65    HB3  ASP   9           HB1      ASP   9   1.216 -14.752   7.318
   66    H    TRP  10           HN       TRP  10   4.679 -14.910   4.785
   67    HA   TRP  10           HA       TRP  10   3.172 -12.616   3.814
   68    HB2  TRP  10           HB2      TRP  10   6.162 -13.059   4.001
   69    HB3  TRP  10           HB1      TRP  10   5.396 -11.647   3.275
   70    HD1  TRP  10           HD1      TRP  10   5.515 -13.400   6.711
   71    HE1  TRP  10           HE1      TRP  10   5.256 -11.588   8.517
   72    HE3  TRP  10           HE3      TRP  10   4.784  -9.368   3.696
   73    HZ2  TRP  10           HZ2      TRP  10   4.800  -8.824   8.637
   74    HZ3  TRP  10           HZ3      TRP  10   4.445  -7.177   4.735
   75    HH2  TRP  10           HH2      TRP  10   4.455  -6.914   7.161
   76    H    LEU  11           HN       LEU  11   2.510 -12.600   1.874
   77    HA   LEU  11           HA       LEU  11   2.954 -14.770   0.021
   78    HB2  LEU  11           HB2      LEU  11   1.303 -12.254  -0.061
   79    HB3  LEU  11           HB1      LEU  11   1.444 -13.315  -1.437
   80    HG   LEU  11           HG       LEU  11   0.180 -15.038  -0.352
   81   HD11  LEU  11          HD11      LEU  11  -0.539 -14.939   1.967
   82   HD12  LEU  11          HD12      LEU  11   0.282 -13.382   2.162
   83   HD13  LEU  11          HD13      LEU  11   1.227 -14.843   1.845
   84   HD21  LEU  11          HD21      LEU  11  -0.984 -12.335   0.262
   85   HD22  LEU  11          HD22      LEU  11  -1.894 -13.849   0.207
   86   HD23  LEU  11          HD23      LEU  11  -1.130 -13.223  -1.255
   87    H    SER  12           HN       SER  12   4.689 -14.854  -1.014
   88    HA   SER  12           HA       SER  12   6.288 -12.607  -1.679
   89    HB2  SER  12           HB2      SER  12   7.742 -14.370  -2.681
   90    HB3  SER  12           HB1      SER  12   7.234 -14.654  -1.007
   91    HG   SER  12           HG       SER  12   5.820 -15.699  -3.195
   92    H    HIS  13           HN       HIS  13   5.887 -11.274  -3.312
   93    HA   HIS  13           HA       HIS  13   5.216 -12.318  -5.956
   94    HB2  HIS  13           HB2      HIS  13   3.052 -11.625  -5.398
   95    HB3  HIS  13           HB1      HIS  13   3.624 -10.360  -4.334
   96    HD1  HIS  13           HD1      HIS  13   2.550 -10.952  -7.909
   97    HD2  HIS  13           HD2      HIS  13   4.245  -7.930  -5.615
   98    HE1  HIS  13           HE1      HIS  13   2.291  -8.800  -9.227
   99    HE2  HIS  13           HE2      HIS  13   3.521  -7.070  -7.842
  100    H    ARG  14           HN       ARG  14   6.563 -11.525  -7.435
  101    HA   ARG  14           HA       ARG  14   8.240 -10.469  -8.358
  102    HB2  ARG  14           HB2      ARG  14   6.753  -8.097  -7.281
  103    HB3  ARG  14           HB1      ARG  14   8.243  -7.881  -8.176
  104    HG2  ARG  14           HG2      ARG  14   7.165  -9.160 -10.067
  105    HG3  ARG  14           HG1      ARG  14   5.660  -9.079  -9.145
  106    HD2  ARG  14           HD2      ARG  14   5.695  -6.679  -9.192
  107    HD3  ARG  14           HD1      ARG  14   7.290  -6.677  -9.941
  108    HE   ARG  14           HE       ARG  14   5.142  -7.991 -11.397
  109   HH11  ARG  14          HH11      ARG  14   7.287  -5.172 -11.091
  110   HH12  ARG  14          HH12      ARG  14   6.865  -4.489 -12.585
  111   HH21  ARG  14          HH21      ARG  14   4.564  -7.008 -13.557
  112   HH22  ARG  14          HH22      ARG  14   5.321  -5.555 -13.986
  113    H    ASP  15           HN       ASP  15   8.326  -8.181  -5.703
  114    HA   ASP  15           HA       ASP  15  10.828  -9.374  -4.751
  115    HB2  ASP  15           HB2      ASP  15  12.020  -7.250  -4.928
  116    HB3  ASP  15           HB1      ASP  15  11.491  -7.793  -6.508
  117    H    LYS  16           HN       LYS  16   8.053  -9.004  -3.731
  118    HA   LYS  16           HA       LYS  16   8.690  -7.898  -1.167
  119    HB2  LYS  16           HB2      LYS  16   6.176  -6.932  -2.574
  120    HB3  LYS  16           HB1      LYS  16   6.617  -6.617  -0.925
  121    HG2  LYS  16           HG2      LYS  16   7.101  -4.593  -1.931
  122    HG3  LYS  16           HG1      LYS  16   8.672  -5.388  -1.938
  123    HD2  LYS  16           HD2      LYS  16   8.355  -4.397  -4.072
  124    HD3  LYS  16           HD1      LYS  16   8.197  -6.137  -4.258
  125    HE2  LYS  16           HE2      LYS  16   6.397  -5.191  -5.530
  126    HE3  LYS  16           HE1      LYS  16   5.736  -5.825  -4.021
  127    HZ1  LYS  16           HZ1      LYS  16   6.330  -2.951  -4.365
  128    HZ2  LYS  16           HZ2      LYS  16   5.381  -3.689  -3.157
  129    HZ3  LYS  16           HZ3      LYS  16   4.882  -3.706  -4.760
  130    H    CYS  17           HN       CYS  17   7.352  -8.759   0.396
  131    HA   CYS  17           HA       CYS  17   5.501 -10.798  -0.587
  132    HB2  CYS  17           HB2      CYS  17   7.079 -10.791   2.003
  133    HB3  CYS  17           HB1      CYS  17   5.919 -12.015   1.479
  134    H    PHE  18           HN       PHE  18   3.464 -10.841   0.341
  135    HA   PHE  18           HA       PHE  18   2.790  -8.300   1.683
  136    HB2  PHE  18           HB2      PHE  18   1.090 -10.086  -0.024
  137    HB3  PHE  18           HB1      PHE  18   0.555  -8.564   0.634
  138    HD1  PHE  18           HD1      PHE  18   2.887  -6.836   0.077
  139    HD2  PHE  18           HD2      PHE  18   1.092  -9.868  -2.287
  140    HE1  PHE  18           HE1      PHE  18   3.738  -5.749  -1.955
  141    HE2  PHE  18           HE2      PHE  18   1.941  -8.786  -4.319
  142    HZ   PHE  18           HZ       PHE  18   3.268  -6.723  -4.152
  143    H    HIS  19           HN       HIS  19   1.590  -8.261   3.438
  144    HA   HIS  19           HA       HIS  19   0.515 -10.801   4.433
  145    HB2  HIS  19           HB2      HIS  19   2.355  -9.733   5.969
  146    HB3  HIS  19           HB1      HIS  19   1.187  -8.455   6.216
  147    HD1  HIS  19           HD1      HIS  19  -0.709  -8.848   7.946
  148    HD2  HIS  19           HD2      HIS  19   1.484 -12.286   7.020
  149    HE1  HIS  19           HE1      HIS  19  -1.421 -10.569   9.575
  150    HE2  HIS  19           HE2      HIS  19  -0.008 -12.593   9.089
  151    H    VAL  20           HN       VAL  20  -1.602 -10.713   3.997
  152    HA   VAL  20           HA       VAL  20  -2.981  -8.144   4.059
  153    HB   VAL  20           HB       VAL  20  -4.064 -10.892   3.340
  154   HG11  VAL  20          HG11      VAL  20  -5.274  -8.149   2.970
  155   HG12  VAL  20          HG12      VAL  20  -5.800  -9.363   4.134
  156   HG13  VAL  20          HG13      VAL  20  -5.972  -9.667   2.406
  157   HG21  VAL  20          HG21      VAL  20  -2.353 -10.124   1.755
  158   HG22  VAL  20          HG22      VAL  20  -3.245  -8.615   1.536
  159   HG23  VAL  20          HG23      VAL  20  -3.956 -10.138   1.021
  160    H    SER  21           HN       SER  21  -3.138  -7.601   6.130
  161    HA   SER  21           HA       SER  21  -3.845  -9.476   8.151
  162    HB2  SER  21           HB2      SER  21  -3.738  -6.458   8.280
  163    HB3  SER  21           HB1      SER  21  -3.590  -7.594   9.622
  164    HG   SER  21           HG       SER  21  -1.678  -6.541   8.393
  165    H    GLN  22           HN       GLN  22  -5.895 -10.113   8.396
  166    HA   GLN  22           HA       GLN  22  -8.143  -8.622   7.264
  167    HB2  GLN  22           HB2      GLN  22  -7.890 -11.368   8.481
  168    HB3  GLN  22           HB1      GLN  22  -9.437 -10.678   8.032
  169    HG2  GLN  22           HG2      GLN  22  -7.141 -11.148   6.138
  170    HG3  GLN  22           HG1      GLN  22  -8.495 -12.248   6.362
  171   HE21  GLN  22          HE21      GLN  22 -10.384  -9.968   6.644
  172   HE22  GLN  22          HE22      GLN  22 -10.666  -9.384   5.064
  173    H    VAL  23           HN       VAL  23  -6.616  -7.996   9.757
  174    HA   VAL  23           HA       VAL  23  -8.882  -7.843  11.607
  175    HB   VAL  23           HB       VAL  23  -7.106  -7.391  13.411
  176   HG11  VAL  23          HG11      VAL  23  -7.082 -10.080  12.040
  177   HG12  VAL  23          HG12      VAL  23  -8.261  -9.527  13.231
  178   HG13  VAL  23          HG13      VAL  23  -6.579  -9.774  13.704
  179   HG21  VAL  23          HG21      VAL  23  -4.835  -8.211  12.952
  180   HG22  VAL  23          HG22      VAL  23  -5.244  -6.853  11.903
  181   HG23  VAL  23          HG23      VAL  23  -5.282  -8.496  11.271
  182    H    SER  24           HN       SER  24  -8.996  -5.784  12.833
  183    HA   SER  24           HA       SER  24  -8.596  -3.722  10.845
  184    HB2  SER  24           HB2      SER  24 -10.248  -3.614  13.363
  185    HB3  SER  24           HB1      SER  24 -10.163  -2.433  12.062
  186    HG   SER  24           HG       SER  24 -11.784  -3.494  11.562
  187    H    ASN  25           HN       ASN  25  -7.954  -1.673  11.297
  188    HA   ASN  25           HA       ASN  25  -6.889  -0.654  13.681
  189    HB2  ASN  25           HB2      ASN  25  -4.946  -1.714  11.657
  190    HB3  ASN  25           HB1      ASN  25  -4.608  -0.148  12.364
  191   HD21  ASN  25          HD21      ASN  25  -2.971  -2.353  12.532
  192   HD22  ASN  25          HD22      ASN  25  -2.810  -2.833  14.159
  193    H    THR  26           HN       THR  26  -5.938   1.498  13.181
  194    HA   THR  26           HA       THR  26  -7.357   2.716  10.979
  195    HB   THR  26           HB       THR  26  -6.236   4.852  11.879
  196    HG1  THR  26           HG1      THR  26  -5.568   3.069  14.009
  197   HG21  THR  26          HG21      THR  26  -7.982   3.269  13.780
  198   HG22  THR  26          HG22      THR  26  -8.544   4.295  12.456
  199   HG23  THR  26          HG23      THR  26  -7.728   5.013  13.831
  200    H    TRP  27           HN       TRP  27  -6.006   4.299   9.566
  201    HA   TRP  27           HA       TRP  27  -4.338   2.723   7.972
  202    HB2  TRP  27           HB2      TRP  27  -5.562   4.712   7.133
  203    HB3  TRP  27           HB1      TRP  27  -4.476   5.725   8.081
  204    HD1  TRP  27           HD1      TRP  27  -4.572   3.674   4.865
  205    HE1  TRP  27           HE1      TRP  27  -2.535   4.262   3.453
  206    HE3  TRP  27           HE3      TRP  27  -2.167   6.610   8.198
  207    HZ2  TRP  27           HZ2      TRP  27  -0.174   5.854   3.715
  208    HZ3  TRP  27           HZ3      TRP  27  -0.075   7.630   7.624
  209    HH2  TRP  27           HH2      TRP  27   0.947   7.278   5.393
  210    H    GLU  28           HN       GLU  28  -3.374   5.375  10.138
  211    HA   GLU  28           HA       GLU  28  -0.582   5.218   9.682
  212    HB2  GLU  28           HB2      GLU  28  -2.165   6.213  12.031
  213    HB3  GLU  28           HB1      GLU  28  -0.437   6.478  11.842
  214    HG2  GLU  28           HG2      GLU  28  -0.830   7.894   9.961
  215    HG3  GLU  28           HG1      GLU  28  -2.525   7.401   9.901
  216    H    GLU  29           HN       GLU  29  -2.731   3.561  11.759
  217    HA   GLU  29           HA       GLU  29  -0.849   2.570  13.629
  218    HB2  GLU  29           HB2      GLU  29  -3.173   3.127  14.040
  219    HB3  GLU  29           HB1      GLU  29  -3.668   1.865  12.949
  220    HG2  GLU  29           HG2      GLU  29  -2.948   0.213  14.441
  221    HG3  GLU  29           HG1      GLU  29  -2.180   1.407  15.507
  222    H    GLY  30           HN       GLY  30  -2.658   1.191  10.886
  223    HA2  GLY  30           HA2      GLY  30  -1.484  -1.373  10.922
  224    HA3  GLY  30           HA1      GLY  30  -2.181  -0.614   9.514
  225    H    LEU  31           HN       LEU  31  -0.469   1.658   9.502
  226    HA   LEU  31           HA       LEU  31   1.696   0.802   7.972
  227    HB2  LEU  31           HB2      LEU  31   0.625   3.160   8.278
  228    HB3  LEU  31           HB1      LEU  31   1.702   3.323   9.633
  229    HG   LEU  31           HG       LEU  31   2.495   3.073   6.726
  230   HD11  LEU  31          HD11      LEU  31   3.282   5.363   7.009
  231   HD12  LEU  31          HD12      LEU  31   2.655   5.360   8.655
  232   HD13  LEU  31          HD13      LEU  31   1.547   5.209   7.288
  233   HD21  LEU  31          HD21      LEU  31   4.280   3.476   9.135
  234   HD22  LEU  31          HD22      LEU  31   4.795   3.526   7.448
  235   HD23  LEU  31          HD23      LEU  31   4.204   2.018   8.146
  236    H    VAL  32           HN       VAL  32   1.558   1.931  11.351
  237    HA   VAL  32           HA       VAL  32   4.194   1.419  12.114
  238    HB   VAL  32           HB       VAL  32   1.683   1.418  13.835
  239   HG11  VAL  32          HG11      VAL  32   3.541   0.287  14.986
  240   HG12  VAL  32          HG12      VAL  32   3.138   1.831  15.739
  241   HG13  VAL  32          HG13      VAL  32   4.561   1.701  14.712
  242   HG21  VAL  32          HG21      VAL  32   2.331   3.702  14.381
  243   HG22  VAL  32          HG22      VAL  32   2.088   3.501  12.639
  244   HG23  VAL  32          HG23      VAL  32   3.721   3.550  13.308
  245    H    ASP  33           HN       ASP  33   1.363  -0.655  12.146
  246    HA   ASP  33           HA       ASP  33   2.567  -2.862  13.392
  247    HB2  ASP  33           HB2      ASP  33   0.104  -2.439  11.838
  248    HB3  ASP  33           HB1      ASP  33   0.660  -4.098  11.908
  249    H    CYS  34           HN       CYS  34   2.455  -1.926  10.014
  250    HA   CYS  34           HA       CYS  34   3.722  -4.266   9.053
  251    HB2  CYS  34           HB2      CYS  34   3.857  -1.465   7.910
  252    HB3  CYS  34           HB1      CYS  34   4.301  -2.909   7.056
  253    H    ASP  35           HN       ASP  35   4.937  -1.146  10.191
  254    HA   ASP  35           HA       ASP  35   7.681  -1.486   9.748
  255    HB2  ASP  35           HB2      ASP  35   6.240   0.026  11.918
  256    HB3  ASP  35           HB1      ASP  35   7.991  -0.016  11.833
  257    H    GLY  36           HN       GLY  36   5.602  -2.705  12.184
  258    HA2  GLY  36           HA2      GLY  36   7.360  -3.538  14.163
  259    HA3  GLY  36           HA1      GLY  36   5.829  -4.313  13.770
  260    H    LYS  37           HN       LYS  37   6.580  -5.086  11.095
  261    HA   LYS  37           HA       LYS  37   8.384  -7.297  11.818
  262    HB2  LYS  37           HB2      LYS  37   6.568  -7.122   9.388
  263    HB3  LYS  37           HB1      LYS  37   7.517  -8.512   9.857
  264    HG2  LYS  37           HG2      LYS  37   5.398  -9.142  10.536
  265    HG3  LYS  37           HG1      LYS  37   6.044  -8.444  12.013
  266    HD2  LYS  37           HD2      LYS  37   4.878  -6.391  11.661
  267    HD3  LYS  37           HD1      LYS  37   4.406  -6.879  10.035
  268    HE2  LYS  37           HE2      LYS  37   2.518  -7.099  11.531
  269    HE3  LYS  37           HE1      LYS  37   3.050  -8.677  10.972
  270    HZ1  LYS  37           HZ1      LYS  37   4.128  -9.051  13.099
  271    HZ2  LYS  37           HZ2      LYS  37   2.532  -8.599  13.390
  272    HZ3  LYS  37           HZ3      LYS  37   3.766  -7.497  13.607
  273    H    GLY  38           HN       GLY  38   8.873  -4.387  10.789
  274    HA2  GLY  38           HA2      GLY  38  10.637  -3.407   9.666
  275    HA3  GLY  38           HA1      GLY  38  11.193  -5.016   9.211
  276    H    ALA  39           HN       ALA  39   7.968  -4.329   8.525
  277    HA   ALA  39           HA       ALA  39   8.586  -4.308   5.665
  278    HB1  ALA  39           HB1      ALA  39   7.341  -6.242   6.483
  279    HB2  ALA  39           HB2      ALA  39   6.352  -5.247   5.407
  280    HB3  ALA  39           HB3      ALA  39   6.111  -5.152   7.153
  281    H    THR  40           HN       THR  40   6.877  -3.085   4.362
  282    HA   THR  40           HA       THR  40   6.258  -0.620   5.778
  283    HB   THR  40           HB       THR  40   6.207   0.210   3.302
  284    HG1  THR  40           HG1      THR  40   7.693  -1.030   2.014
  285   HG21  THR  40          HG21      THR  40   8.791  -0.532   4.698
  286   HG22  THR  40          HG22      THR  40   7.855   0.944   4.938
  287   HG23  THR  40          HG23      THR  40   8.640   0.647   3.390
  288    H    LEU  41           HN       LEU  41   4.276   0.468   5.045
  289    HA   LEU  41           HA       LEU  41   2.083  -1.361   4.735
  290    HB2  LEU  41           HB2      LEU  41   2.055   0.839   6.036
  291    HB3  LEU  41           HB1      LEU  41   2.101   1.661   4.500
  292    HG   LEU  41           HG       LEU  41  -0.091   0.685   3.922
  293   HD11  LEU  41          HD11      LEU  41  -0.089  -0.342   6.761
  294   HD12  LEU  41          HD12      LEU  41  -0.053  -1.325   5.292
  295   HD13  LEU  41          HD13      LEU  41  -1.460  -0.327   5.654
  296   HD21  LEU  41          HD21      LEU  41  -1.406   2.083   5.410
  297   HD22  LEU  41          HD22      LEU  41   0.079   2.909   4.924
  298   HD23  LEU  41          HD23      LEU  41  -0.047   2.181   6.525
  299    H    MET  42           HN       MET  42   1.227  -1.985   2.863
  300    HA   MET  42           HA       MET  42   2.473  -2.452   0.633
  301    HB2  MET  42           HB2      MET  42   0.288  -3.343   1.024
  302    HB3  MET  42           HB1      MET  42  -0.438  -1.763   0.762
  303    HG2  MET  42           HG2      MET  42  -0.767  -3.285  -1.107
  304    HG3  MET  42           HG1      MET  42   0.148  -1.872  -1.601
  305    HE1  MET  42           HE1      MET  42   1.599  -4.675  -3.850
  306    HE2  MET  42           HE2      MET  42   0.924  -3.042  -3.798
  307    HE3  MET  42           HE3      MET  42  -0.073  -4.426  -3.331
  308    H    LEU  43           HN       LEU  43   3.470  -1.592  -0.927
  309    HA   LEU  43           HA       LEU  43   2.855   1.123  -1.936
  310    HB2  LEU  43           HB2      LEU  43   5.484  -0.404  -1.947
  311    HB3  LEU  43           HB1      LEU  43   5.212   1.048  -2.872
  312    HG   LEU  43           HG       LEU  43   6.464   1.728  -1.054
  313   HD11  LEU  43          HD11      LEU  43   5.081   3.185   0.268
  314   HD12  LEU  43          HD12      LEU  43   3.646   2.335  -0.303
  315   HD13  LEU  43          HD13      LEU  43   4.672   3.208  -1.448
  316   HD21  LEU  43          HD21      LEU  43   4.667   0.197   0.814
  317   HD22  LEU  43          HD22      LEU  43   6.034   1.227   1.265
  318   HD23  LEU  43          HD23      LEU  43   6.311  -0.247   0.339
  319    H    ILE  44           HN       ILE  44   1.651   0.823  -3.675
  320    HA   ILE  44           HA       ILE  44   1.843  -1.587  -5.288
  321    HB   ILE  44           HB       ILE  44   0.029   0.809  -5.659
  322   HG12  ILE  44          HG12      ILE  44  -0.663  -1.745  -4.216
  323   HG13  ILE  44          HG11      ILE  44  -0.077  -0.322  -3.363
  324   HG21  ILE  44          HG21      ILE  44  -0.295  -2.059  -6.539
  325   HG22  ILE  44          HG22      ILE  44   0.227  -0.743  -7.590
  326   HG23  ILE  44          HG23      ILE  44  -1.395  -0.726  -6.890
  327   HD11  ILE  44          HD11      ILE  44  -2.016   0.926  -4.134
  328   HD12  ILE  44          HD12      ILE  44  -2.527  -0.569  -3.329
  329   HD13  ILE  44          HD13      ILE  44  -2.509  -0.464  -5.091
  330    H    GLN  45           HN       GLN  45   3.482  -1.555  -6.664
  331    HA   GLN  45           HA       GLN  45   4.438   0.910  -7.886
  332    HB2  GLN  45           HB2      GLN  45   6.000  -0.721  -6.934
  333    HB3  GLN  45           HB1      GLN  45   5.423  -1.935  -8.061
  334    HG2  GLN  45           HG2      GLN  45   6.225  -0.474  -9.920
  335    HG3  GLN  45           HG1      GLN  45   6.961   0.567  -8.701
  336   HE21  GLN  45          HE21      GLN  45   7.066  -2.480 -10.299
  337   HE22  GLN  45          HE22      GLN  45   8.604  -2.992  -9.718
  338    H    ASP  46           HN       ASP  46   2.376  -1.724  -8.744
  339    HA   ASP  46           HA       ASP  46   2.385  -0.945 -11.538
  340    HB2  ASP  46           HB2      ASP  46   4.249  -2.620 -11.188
  341    HB3  ASP  46           HB1      ASP  46   3.029  -3.785 -10.707
  342    H    GLN  47           HN       GLN  47   0.624  -2.064 -12.684
  343    HA   GLN  47           HA       GLN  47  -1.753  -2.319 -11.209
  344    HB2  GLN  47           HB2      GLN  47  -1.057  -2.146 -13.900
  345    HB3  GLN  47           HB1      GLN  47  -1.769  -3.742 -13.757
  346    HG2  GLN  47           HG2      GLN  47  -3.079  -1.141 -12.967
  347    HG3  GLN  47           HG1      GLN  47  -3.422  -2.076 -14.414
  348   HE21  GLN  47          HE21      GLN  47  -3.867  -1.847 -10.985
  349   HE22  GLN  47          HE22      GLN  47  -5.082  -3.076 -10.883
  350    H    GLU  48           HN       GLU  48   0.655  -4.688 -12.332
  351    HA   GLU  48           HA       GLU  48  -0.787  -7.037 -11.824
  352    HB2  GLU  48           HB2      GLU  48   2.139  -6.472 -11.873
  353    HB3  GLU  48           HB1      GLU  48   1.531  -8.050 -11.413
  354    HG2  GLU  48           HG2      GLU  48   0.346  -8.137 -13.591
  355    HG3  GLU  48           HG1      GLU  48   1.181  -6.646 -14.036
  356    H    GLU  49           HN       GLU  49   0.825  -4.896  -9.679
  357    HA   GLU  49           HA       GLU  49   1.259  -6.536  -7.448
  358    HB2  GLU  49           HB2      GLU  49   0.301  -3.684  -7.529
  359    HB3  GLU  49           HB1      GLU  49   1.046  -4.461  -6.142
  360    HG2  GLU  49           HG2      GLU  49   2.431  -4.227  -8.757
  361    HG3  GLU  49           HG1      GLU  49   2.466  -2.896  -7.573
  362    H    LEU  50           HN       LEU  50  -1.500  -4.460  -8.282
  363    HA   LEU  50           HA       LEU  50  -3.014  -5.510  -6.151
  364    HB2  LEU  50           HB2      LEU  50  -3.888  -3.706  -8.378
  365    HB3  LEU  50           HB1      LEU  50  -4.933  -4.272  -7.081
  366    HG   LEU  50           HG       LEU  50  -2.479  -2.566  -6.763
  367   HD11  LEU  50          HD11      LEU  50  -4.113  -0.874  -5.994
  368   HD12  LEU  50          HD12      LEU  50  -5.400  -2.004  -6.373
  369   HD13  LEU  50          HD13      LEU  50  -4.380  -1.373  -7.664
  370   HD21  LEU  50          HD21      LEU  50  -3.207  -2.464  -4.363
  371   HD22  LEU  50          HD22      LEU  50  -2.604  -4.027  -4.861
  372   HD23  LEU  50          HD23      LEU  50  -4.340  -3.773  -4.703
  373    H    ARG  51           HN       ARG  51  -2.702  -6.375  -9.449
  374    HA   ARG  51           HA       ARG  51  -5.034  -7.969  -9.586
  375    HB2  ARG  51           HB2      ARG  51  -2.376  -8.290 -11.019
  376    HB3  ARG  51           HB1      ARG  51  -3.792  -9.273 -11.364
  377    HG2  ARG  51           HG2      ARG  51  -3.686  -6.276 -11.634
  378    HG3  ARG  51           HG1      ARG  51  -3.470  -7.415 -12.962
  379    HD2  ARG  51           HD2      ARG  51  -5.687  -8.257 -12.694
  380    HD3  ARG  51           HD1      ARG  51  -5.933  -7.339 -11.215
  381    HE   ARG  51           HE       ARG  51  -5.325  -5.560 -13.262
  382   HH11  ARG  51          HH11      ARG  51  -7.932  -7.857 -12.516
  383   HH12  ARG  51          HH12      ARG  51  -9.174  -6.847 -13.100
  384   HH21  ARG  51          HH21      ARG  51  -6.991  -4.217 -14.094
  385   HH22  ARG  51          HH22      ARG  51  -8.620  -4.709 -14.060
  386    H    PHE  52           HN       PHE  52  -1.821  -8.568  -8.317
  387    HA   PHE  52           HA       PHE  52  -2.275 -11.285  -7.667
  388    HB2  PHE  52           HB2      PHE  52  -0.006 -10.305  -7.806
  389    HB3  PHE  52           HB1      PHE  52  -0.368  -9.280  -6.429
  390    HD1  PHE  52           HD2      PHE  52   0.372 -12.694  -7.523
  391    HD2  PHE  52           HD1      PHE  52  -0.357 -10.170  -4.180
  392    HE1  PHE  52           HE2      PHE  52   1.224 -14.442  -6.015
  393    HE2  PHE  52           HE1      PHE  52   0.485 -11.912  -2.673
  394    HZ   PHE  52           HZ       PHE  52   1.278 -14.057  -3.592
  395    H    LEU  53           HN       LEU  53  -2.876  -8.201  -6.028
  396    HA   LEU  53           HA       LEU  53  -3.551  -9.285  -3.512
  397    HB2  LEU  53           HB2      LEU  53  -4.194  -6.640  -4.837
  398    HB3  LEU  53           HB1      LEU  53  -4.996  -7.088  -3.378
  399    HG   LEU  53           HG       LEU  53  -3.171  -5.573  -2.894
  400   HD11  LEU  53          HD11      LEU  53  -2.496  -8.315  -1.901
  401   HD12  LEU  53          HD12      LEU  53  -3.693  -7.203  -1.221
  402   HD13  LEU  53          HD13      LEU  53  -1.972  -6.758  -1.249
  403   HD21  LEU  53          HD21      LEU  53  -0.842  -6.240  -3.139
  404   HD22  LEU  53          HD22      LEU  53  -1.642  -6.008  -4.686
  405   HD23  LEU  53          HD23      LEU  53  -1.345  -7.640  -4.081
  406    H    LEU  54           HN       LEU  54  -5.523  -8.300  -6.236
  407    HA   LEU  54           HA       LEU  54  -7.986  -8.954  -5.152
  408    HB2  LEU  54           HB2      LEU  54  -7.171  -9.072  -8.042
  409    HB3  LEU  54           HB1      LEU  54  -8.820  -8.954  -7.483
  410    HG   LEU  54           HG       LEU  54  -6.649  -6.892  -7.294
  411   HD11  LEU  54          HD11      LEU  54  -7.684  -7.033  -9.453
  412   HD12  LEU  54          HD12      LEU  54  -8.139  -5.533  -8.644
  413   HD13  LEU  54          HD13      LEU  54  -9.285  -6.873  -8.726
  414   HD21  LEU  54          HD21      LEU  54  -7.852  -6.826  -5.232
  415   HD22  LEU  54          HD22      LEU  54  -9.415  -6.775  -6.080
  416   HD23  LEU  54          HD23      LEU  54  -8.291  -5.420  -6.202
  417    H    ASP  55           HN       ASP  55  -5.690 -11.044  -6.776
  418    HA   ASP  55           HA       ASP  55  -7.454 -13.282  -6.845
  419    HB2  ASP  55           HB2      ASP  55  -4.507 -13.002  -7.300
  420    HB3  ASP  55           HB1      ASP  55  -5.214 -14.594  -7.103
  421    H    SER  56           HN       SER  56  -5.023 -12.166  -4.592
  422    HA   SER  56           HA       SER  56  -5.145 -14.634  -3.141
  423    HB2  SER  56           HB2      SER  56  -3.507 -13.473  -1.600
  424    HB3  SER  56           HB1      SER  56  -2.986 -13.684  -3.273
  425    HG   SER  56           HG       SER  56  -3.290 -11.576  -3.657
  426    H    ILE  57           HN       ILE  57  -6.384 -11.379  -2.723
  427    HA   ILE  57           HA       ILE  57  -7.222 -11.473  -0.050
  428    HB   ILE  57           HB       ILE  57  -8.747 -10.175  -2.334
  429   HG12  ILE  57          HG12      ILE  57  -6.490  -9.258  -2.268
  430   HG13  ILE  57          HG11      ILE  57  -7.636  -8.062  -1.689
  431   HG21  ILE  57          HG21      ILE  57  -9.759  -8.752  -0.662
  432   HG22  ILE  57          HG22      ILE  57  -8.834  -9.573   0.595
  433   HG23  ILE  57          HG23      ILE  57 -10.059 -10.462  -0.308
  434   HD11  ILE  57          HD11      ILE  57  -5.833  -9.762  -0.006
  435   HD12  ILE  57          HD12      ILE  57  -6.979  -8.560   0.599
  436   HD13  ILE  57          HD13      ILE  57  -5.609  -8.056  -0.395
  437    H    LYS  58           HN       LYS  58  -8.812 -12.509  -2.974
  438    HA   LYS  58           HA       LYS  58 -10.474 -13.839  -3.492
  439    HB2  LYS  58           HB2      LYS  58  -9.395 -15.584  -2.205
  440    HB3  LYS  58           HB1      LYS  58 -10.122 -14.990  -0.720
  441    HG2  LYS  58           HG2      LYS  58 -11.212 -17.033  -1.633
  442    HG3  LYS  58           HG1      LYS  58 -12.312 -15.667  -1.446
  443    HD2  LYS  58           HD2      LYS  58 -12.137 -15.148  -3.777
  444    HD3  LYS  58           HD1      LYS  58 -10.977 -16.459  -4.047
  445    HE2  LYS  58           HE2      LYS  58 -12.709 -18.067  -3.406
  446    HE3  LYS  58           HE1      LYS  58 -13.832 -16.743  -3.110
  447    HZ1  LYS  58           HZ1      LYS  58 -13.679 -16.177  -5.462
  448    HZ2  LYS  58           HZ2      LYS  58 -14.218 -17.739  -5.240
  449    HZ3  LYS  58           HZ3      LYS  58 -12.627 -17.469  -5.721
  450    H    GLU  59           HN       GLU  59 -11.138 -12.735  -0.190
  451    HA   GLU  59           HA       GLU  59 -13.909 -12.760  -0.529
  452    HB2  GLU  59           HB2      GLU  59 -12.306 -11.043   1.361
  453    HB3  GLU  59           HB1      GLU  59 -14.043 -11.218   1.429
  454    HG2  GLU  59           HG2      GLU  59 -13.584 -13.720   1.703
  455    HG3  GLU  59           HG1      GLU  59 -11.921 -13.236   2.041
  456    H    LYS  60           HN       LYS  60 -11.640 -10.028  -0.724
  457    HA   LYS  60           HA       LYS  60 -11.603  -8.143  -1.838
  458    HB2  LYS  60           HB2      LYS  60 -14.006  -9.181  -3.333
  459    HB3  LYS  60           HB1      LYS  60 -13.229  -7.649  -3.690
  460    HG2  LYS  60           HG2      LYS  60 -11.119  -8.932  -4.111
  461    HG3  LYS  60           HG1      LYS  60 -12.089 -10.403  -3.933
  462    HD2  LYS  60           HD2      LYS  60 -13.513  -9.725  -5.764
  463    HD3  LYS  60           HD1      LYS  60 -12.614  -8.219  -5.942
  464    HE2  LYS  60           HE2      LYS  60 -10.601  -9.470  -6.489
  465    HE3  LYS  60           HE1      LYS  60 -11.469 -10.983  -6.272
  466    HZ1  LYS  60           HZ1      LYS  60 -12.949 -10.279  -8.094
  467    HZ2  LYS  60           HZ2      LYS  60 -11.356 -10.505  -8.556
  468    HZ3  LYS  60           HZ3      LYS  60 -11.941  -8.923  -8.340
  469    H    TYR  61           HN       TYR  61 -14.828  -8.954  -0.802
  470    HA   TYR  61           HA       TYR  61 -15.812  -6.295  -0.618
  471    HB2  TYR  61           HB2      TYR  61 -16.882  -8.783   0.700
  472    HB3  TYR  61           HB1      TYR  61 -17.782  -7.303   0.354
  473    HD1  TYR  61           HD1      TYR  61 -17.457  -6.549  -2.200
  474    HD2  TYR  61           HD2      TYR  61 -17.251 -10.511  -0.753
  475    HE1  TYR  61           HE1      TYR  61 -17.966  -7.383  -4.462
  476    HE2  TYR  61           HE2      TYR  61 -17.753 -11.378  -3.002
  477    HH   TYR  61           HH       TYR  61 -17.806  -9.259  -5.761
  478    H    ASN  62           HN       ASN  62 -13.452  -6.750   0.868
  479    HA   ASN  62           HA       ASN  62 -14.235  -5.881   3.587
  480    HB2  ASN  62           HB2      ASN  62 -11.604  -7.118   2.692
  481    HB3  ASN  62           HB1      ASN  62 -11.978  -6.588   4.315
  482   HD21  ASN  62          HD21      ASN  62 -11.102  -9.161   3.253
  483   HD22  ASN  62          HD22      ASN  62 -12.248 -10.314   3.822
  484    H    SER  63           HN       SER  63 -11.876  -4.560   4.271
  485    HA   SER  63           HA       SER  63 -11.128  -2.913   2.016
  486    HB2  SER  63           HB2      SER  63 -12.169  -1.735   4.601
  487    HB3  SER  63           HB1      SER  63 -11.686  -0.856   3.151
  488    HG   SER  63           HG       SER  63 -13.922  -2.471   3.611
  489    H    PHE  64           HN       PHE  64  -8.969  -2.813   2.076
  490    HA   PHE  64           HA       PHE  64  -7.580  -3.032   4.700
  491    HB2  PHE  64           HB2      PHE  64  -6.247  -3.964   2.187
  492    HB3  PHE  64           HB1      PHE  64  -6.024  -4.505   3.845
  493    HD1  PHE  64           HD2      PHE  64  -7.692  -6.064   4.837
  494    HD2  PHE  64           HD1      PHE  64  -7.714  -4.999   0.747
  495    HE1  PHE  64           HE2      PHE  64  -9.186  -7.942   4.368
  496    HE2  PHE  64           HE1      PHE  64  -9.157  -6.823   0.216
  497    HZ   PHE  64           HZ       PHE  64  -9.934  -8.356   2.039
  498    H    TRP  65           HN       TRP  65  -6.368  -1.296   5.103
  499    HA   TRP  65           HA       TRP  65  -5.972   0.888   3.375
  500    HB2  TRP  65           HB2      TRP  65  -4.297   0.105   5.766
  501    HB3  TRP  65           HB1      TRP  65  -4.340   1.680   5.023
  502    HD1  TRP  65           HD1      TRP  65  -5.659  -0.197   7.863
  503    HE1  TRP  65           HE1      TRP  65  -7.568   1.047   9.029
  504    HE3  TRP  65           HE3      TRP  65  -6.693   3.277   4.234
  505    HZ2  TRP  65           HZ2      TRP  65  -9.285   3.207   8.495
  506    HZ3  TRP  65           HZ3      TRP  65  -8.498   4.898   4.664
  507    HH2  TRP  65           HH2      TRP  65  -9.765   4.848   6.769
  508    H    ILE  66           HN       ILE  66  -4.345   1.355   1.955
  509    HA   ILE  66           HA       ILE  66  -1.917  -0.258   2.131
  510    HB   ILE  66           HB       ILE  66  -1.386   0.129  -0.241
  511   HG12  ILE  66          HG12      ILE  66  -2.841   2.239  -0.505
  512   HG13  ILE  66          HG11      ILE  66  -2.792   1.137  -1.865
  513   HG21  ILE  66          HG21      ILE  66  -4.022  -1.258   0.119
  514   HG22  ILE  66          HG22      ILE  66  -2.410  -1.945   0.295
  515   HG23  ILE  66          HG23      ILE  66  -2.965  -1.418  -1.288
  516   HD11  ILE  66          HD11      ILE  66  -5.026   1.994  -1.488
  517   HD12  ILE  66          HD12      ILE  66  -5.016   1.341   0.151
  518   HD13  ILE  66          HD13      ILE  66  -4.971   0.251  -1.235
  519    H    GLY  67           HN       GLY  67  -0.026   1.222   0.928
  520    HA2  GLY  67           HA2      GLY  67   0.145   3.318   2.874
  521    HA3  GLY  67           HA1      GLY  67   1.381   2.849   1.728
  522    H    LEU  68           HN       LEU  68  -1.900   4.066   1.301
  523    HA   LEU  68           HA       LEU  68  -0.824   6.255  -0.326
  524    HB2  LEU  68           HB2      LEU  68  -3.272   4.613  -0.578
  525    HB3  LEU  68           HB1      LEU  68  -3.319   6.272  -1.129
  526    HG   LEU  68           HG       LEU  68  -1.322   4.241  -2.103
  527   HD11  LEU  68          HD11      LEU  68  -3.619   3.609  -2.700
  528   HD12  LEU  68          HD12      LEU  68  -2.712   4.155  -4.109
  529   HD13  LEU  68          HD13      LEU  68  -3.891   5.227  -3.346
  530   HD21  LEU  68          HD21      LEU  68  -2.118   6.971  -3.111
  531   HD22  LEU  68          HD22      LEU  68  -0.938   5.890  -3.851
  532   HD23  LEU  68          HD23      LEU  68  -0.611   6.593  -2.276
  533    H    ARG  69           HN       ARG  69  -0.967   8.155   0.547
  534    HA   ARG  69           HA       ARG  69  -3.310   8.776   2.179
  535    HB2  ARG  69           HB2      ARG  69  -1.829  10.357   3.462
  536    HB3  ARG  69           HB1      ARG  69  -1.514   8.644   3.763
  537    HG2  ARG  69           HG2      ARG  69   0.401   8.797   2.226
  538    HG3  ARG  69           HG1      ARG  69   0.066  10.515   2.014
  539    HD2  ARG  69           HD2      ARG  69   0.459  10.930   4.341
  540    HD3  ARG  69           HD1      ARG  69   0.641   9.207   4.663
  541    HE   ARG  69           HE       ARG  69   2.449  10.449   2.752
  542   HH11  ARG  69          HH11      ARG  69   1.993   9.240   6.062
  543   HH12  ARG  69          HH12      ARG  69   3.646   9.002   6.333
  544   HH21  ARG  69          HH21      ARG  69   4.685  10.168   3.151
  545   HH22  ARG  69          HH22      ARG  69   5.242   9.562   4.641
  546    H    TYR  70           HN       TYR  70  -4.248  10.722   1.781
  547    HA   TYR  70           HA       TYR  70  -3.345  12.031  -0.636
  548    HB2  TYR  70           HB2      TYR  70  -5.736  11.369  -0.302
  549    HB3  TYR  70           HB1      TYR  70  -5.813  12.493   1.043
  550    HD1  TYR  70           HD1      TYR  70  -4.328  12.812  -2.345
  551    HD2  TYR  70           HD2      TYR  70  -7.225  14.197   0.424
  552    HE1  TYR  70           HE1      TYR  70  -5.006  14.529  -3.928
  553    HE2  TYR  70           HE2      TYR  70  -7.915  15.931  -1.157
  554    HH   TYR  70           HH       TYR  70  -6.778  15.874  -4.420
  555    H    THR  71           HN       THR  71  -2.236  13.870  -0.547
  556    HA   THR  71           HA       THR  71  -1.944  15.037   2.099
  557    HB   THR  71           HB       THR  71   0.254  15.937   1.219
  558    HG1  THR  71           HG1      THR  71  -0.673  14.860  -1.107
  559   HG21  THR  71          HG21      THR  71   0.139  13.967   2.669
  560   HG22  THR  71          HG22      THR  71   1.402  13.757   1.457
  561   HG23  THR  71          HG23      THR  71  -0.147  12.936   1.274
  562    H    LEU  72           HN       LEU  72  -2.915  16.874   2.466
  563    HA   LEU  72           HA       LEU  72  -3.024  18.844   0.315
  564    HB2  LEU  72           HB2      LEU  72  -5.002  18.450   2.568
  565    HB3  LEU  72           HB1      LEU  72  -5.015  19.805   1.467
  566    HG   LEU  72           HG       LEU  72  -5.581  16.923   0.792
  567   HD11  LEU  72          HD11      LEU  72  -7.408  18.119   1.886
  568   HD12  LEU  72          HD12      LEU  72  -7.764  17.800   0.179
  569   HD13  LEU  72          HD13      LEU  72  -7.252  19.407   0.684
  570   HD21  LEU  72          HD21      LEU  72  -6.036  17.739  -1.464
  571   HD22  LEU  72          HD22      LEU  72  -4.347  17.905  -1.017
  572   HD23  LEU  72          HD23      LEU  72  -5.405  19.323  -1.013
  573    HA   PRO  73           HA       PRO  73  -3.380  20.830   0.076
  574    HB2  PRO  73           HB2      PRO  73  -1.703  23.117  -0.157
  575    HB3  PRO  73           HB1      PRO  73  -3.419  23.077   0.296
  576    HG2  PRO  73           HG2      PRO  73  -1.354  23.835   1.982
  577    HG3  PRO  73           HG1      PRO  73  -2.992  23.379   2.478
  578    HD2  PRO  73           HD2      PRO  73  -0.501  21.766   2.551
  579    HD3  PRO  73           HD1      PRO  73  -1.904  21.743   3.635
  580    H    ASP  74           HN       ASP  74  -2.667  19.973  -1.742
  581    HA   ASP  74           HA       ASP  74  -0.165  20.221  -2.958
  582    HB2  ASP  74           HB2      ASP  74   0.545  18.748  -0.992
  583    HB3  ASP  74           HB1      ASP  74  -0.550  17.522  -1.609
  584    H    MET  75           HN       MET  75  -2.911  18.185  -2.207
  585    HA   MET  75           HA       MET  75  -4.490  17.247  -3.275
  586    HB2  MET  75           HB2      MET  75  -3.757  19.201  -5.426
  587    HB3  MET  75           HB1      MET  75  -5.135  18.115  -5.565
  588    HG2  MET  75           HG2      MET  75  -5.913  20.207  -4.785
  589    HG3  MET  75           HG1      MET  75  -6.037  19.082  -3.437
  590    HE1  MET  75           HE1      MET  75  -3.050  22.597  -3.846
  591    HE2  MET  75           HE2      MET  75  -4.378  22.258  -4.957
  592    HE3  MET  75           HE3      MET  75  -2.978  21.188  -4.902
  593    H    ASN  76           HN       ASN  76  -1.670  16.252  -3.639
  594    HA   ASN  76           HA       ASN  76  -2.476  14.247  -5.604
  595    HB2  ASN  76           HB2      ASN  76   0.267  15.261  -4.901
  596    HB3  ASN  76           HB1      ASN  76   0.039  13.698  -5.674
  597   HD21  ASN  76          HD21      ASN  76  -0.616  13.641  -7.816
  598   HD22  ASN  76          HD22      ASN  76  -0.518  15.023  -8.853
  599    H    TRP  77           HN       TRP  77  -1.742  12.102  -5.156
  600    HA   TRP  77           HA       TRP  77  -1.911  11.458  -2.316
  601    HB2  TRP  77           HB2      TRP  77  -2.189   9.791  -4.804
  602    HB3  TRP  77           HB1      TRP  77  -2.216   9.137  -3.171
  603    HD1  TRP  77           HD1      TRP  77  -4.251  11.526  -5.429
  604    HE1  TRP  77           HE1      TRP  77  -6.720  11.363  -4.688
  605    HE3  TRP  77           HE3      TRP  77  -3.694   8.453  -1.410
  606    HZ2  TRP  77           HZ2      TRP  77  -8.209  10.115  -2.678
  607    HZ3  TRP  77           HZ3      TRP  77  -5.684   7.808  -0.144
  608    HH2  TRP  77           HH2      TRP  77  -7.894   8.624  -0.759
  609    H    LYS  78           HN       LYS  78  -0.264  10.536  -1.297
  610    HA   LYS  78           HA       LYS  78   2.096   9.860  -2.877
  611    HB2  LYS  78           HB2      LYS  78   2.005  11.414  -0.291
  612    HB3  LYS  78           HB1      LYS  78   3.480  10.807  -1.042
  613    HG2  LYS  78           HG2      LYS  78   3.135  12.160  -2.958
  614    HG3  LYS  78           HG1      LYS  78   1.560  12.692  -2.377
  615    HD2  LYS  78           HD2      LYS  78   2.728  13.715  -0.403
  616    HD3  LYS  78           HD1      LYS  78   4.262  13.329  -1.195
  617    HE2  LYS  78           HE2      LYS  78   3.667  14.675  -3.096
  618    HE3  LYS  78           HE1      LYS  78   2.072  14.994  -2.420
  619    HZ1  LYS  78           HZ1      LYS  78   4.683  15.967  -1.377
  620    HZ2  LYS  78           HZ2      LYS  78   3.221  16.097  -0.555
  621    HZ3  LYS  78           HZ3      LYS  78   3.407  16.864  -2.039
  622    H    TRP  79           HN       TRP  79   3.405   8.321  -1.973
  623    HA   TRP  79           HA       TRP  79   1.914   6.488  -0.271
  624    HB2  TRP  79           HB2      TRP  79   4.570   5.824  -1.637
  625    HB3  TRP  79           HB1      TRP  79   3.382   4.778  -0.931
  626    HD1  TRP  79           HD1      TRP  79   3.773   7.034  -3.999
  627    HE1  TRP  79           HE1      TRP  79   2.341   6.105  -5.865
  628    HE3  TRP  79           HE3      TRP  79   1.445   3.338  -1.382
  629    HZ2  TRP  79           HZ2      TRP  79   0.396   4.069  -6.200
  630    HZ3  TRP  79           HZ3      TRP  79  -0.211   1.954  -2.552
  631    HH2  TRP  79           HH2      TRP  79  -0.725   2.332  -4.912
  632    H    ILE  80           HN       ILE  80   3.370   5.273   1.313
  633    HA   ILE  80           HA       ILE  80   4.307   7.212   3.169
  634    HB   ILE  80           HB       ILE  80   4.874   5.388   4.666
  635   HG12  ILE  80          HG12      ILE  80   4.180   3.479   2.432
  636   HG13  ILE  80          HG11      ILE  80   5.838   3.940   2.814
  637   HG21  ILE  80          HG21      ILE  80   2.318   4.884   3.143
  638   HG22  ILE  80          HG22      ILE  80   2.535   6.032   4.463
  639   HG23  ILE  80          HG23      ILE  80   2.670   4.299   4.768
  640   HD11  ILE  80          HD11      ILE  80   5.170   1.783   3.815
  641   HD12  ILE  80          HD12      ILE  80   3.915   2.618   4.727
  642   HD13  ILE  80          HD13      ILE  80   5.607   2.981   5.026
  643    H    ASN  81           HN       ASN  81   5.923   5.473   0.707
  644    HA   ASN  81           HA       ASN  81   8.514   5.783   1.927
  645    HB2  ASN  81           HB2      ASN  81   9.440   4.726  -0.078
  646    HB3  ASN  81           HB1      ASN  81   8.054   3.803   0.485
  647   HD21  ASN  81          HD21      ASN  81   9.261   3.880  -2.145
  648   HD22  ASN  81          HD22      ASN  81   8.023   4.418  -3.221
  649    H    GLY  82           HN       GLY  82   6.373   7.567   0.040
  650    HA2  GLY  82           HA2      GLY  82   6.711   9.945  -0.100
  651    HA3  GLY  82           HA1      GLY  82   8.424   9.643  -0.344
  652    H    SER  83           HN       SER  83   6.657   7.420  -2.041
  653    HA   SER  83           HA       SER  83   7.254   8.588  -4.546
  654    HB2  SER  83           HB2      SER  83   5.735   6.218  -3.621
  655    HB3  SER  83           HB1      SER  83   5.822   6.649  -5.319
  656    HG   SER  83           HG       SER  83   8.242   6.711  -4.081
  657    H    THR  84           HN       THR  84   5.623   8.918  -6.225
  658    HA   THR  84           HA       THR  84   3.230  10.208  -5.184
  659    HB   THR  84           HB       THR  84   4.365  10.266  -8.004
  660    HG1  THR  84           HG1      THR  84   5.755  11.081  -6.265
  661   HG21  THR  84          HG21      THR  84   1.999  10.962  -7.788
  662   HG22  THR  84          HG22      THR  84   3.029  12.327  -8.211
  663   HG23  THR  84          HG23      THR  84   2.461  12.134  -6.554
  664    H    LEU  85           HN       LEU  85   1.263   9.465  -5.742
  665    HA   LEU  85           HA       LEU  85   0.696   6.813  -6.264
  666    HB2  LEU  85           HB2      LEU  85  -0.945   8.179  -5.276
  667    HB3  LEU  85           HB1      LEU  85  -0.985   9.264  -6.656
  668    HG   LEU  85           HG       LEU  85  -1.919   7.364  -8.007
  669   HD11  LEU  85          HD11      LEU  85  -2.852   5.466  -6.969
  670   HD12  LEU  85          HD12      LEU  85  -2.396   6.040  -5.370
  671   HD13  LEU  85          HD13      LEU  85  -1.147   5.561  -6.526
  672   HD21  LEU  85          HD21      LEU  85  -4.185   7.589  -7.144
  673   HD22  LEU  85          HD22      LEU  85  -3.344   9.137  -7.158
  674   HD23  LEU  85          HD23      LEU  85  -3.552   8.259  -5.644
  675    H    ASN  86           HN       ASN  86   0.194   5.583  -7.979
  676    HA   ASN  86           HA       ASN  86   0.362   6.706 -10.670
  677    HB2  ASN  86           HB2      ASN  86   1.719   4.628 -10.131
  678    HB3  ASN  86           HB1      ASN  86   0.212   3.800  -9.774
  679   HD21  ASN  86          HD21      ASN  86   2.235   3.160 -11.764
  680   HD22  ASN  86          HD22      ASN  86   1.417   3.179 -13.276
  681    H    SER  87           HN       SER  87  -1.637   7.636 -10.911
  682    HA   SER  87           HA       SER  87  -4.016   6.606  -9.782
  683    HB2  SER  87           HB2      SER  87  -3.693   8.664 -11.967
  684    HB3  SER  87           HB1      SER  87  -5.047   8.469 -10.855
  685    HG   SER  87           HG       SER  87  -3.968   9.963  -9.879
  686    H    ASP  88           HN       ASP  88  -2.270   5.684 -12.502
  687    HA   ASP  88           HA       ASP  88  -4.449   5.177 -14.275
  688    HB2  ASP  88           HB2      ASP  88  -1.533   4.474 -14.458
  689    HB3  ASP  88           HB1      ASP  88  -2.713   4.017 -15.678
  690    H    VAL  89           HN       VAL  89  -3.257   3.398 -11.605
  691    HA   VAL  89           HA       VAL  89  -3.668   0.926 -12.905
  692    HB   VAL  89           HB       VAL  89  -3.376  -0.155 -10.670
  693   HG11  VAL  89          HG11      VAL  89  -0.988   0.423 -10.444
  694   HG12  VAL  89          HG12      VAL  89  -1.250   1.825 -11.481
  695   HG13  VAL  89          HG13      VAL  89  -1.466   0.200 -12.125
  696   HG21  VAL  89          HG21      VAL  89  -4.213   1.622  -9.213
  697   HG22  VAL  89          HG22      VAL  89  -2.870   2.662  -9.704
  698   HG23  VAL  89          HG23      VAL  89  -2.552   1.182  -8.795
  699    H    LEU  90           HN       LEU  90  -5.578   2.682 -10.452
  700    HA   LEU  90           HA       LEU  90  -7.973   1.438 -11.440
  701    HB2  LEU  90           HB2      LEU  90  -7.037   1.021  -8.601
  702    HB3  LEU  90           HB1      LEU  90  -8.662   0.665  -9.161
  703    HG   LEU  90           HG       LEU  90  -6.161  -0.649 -10.167
  704   HD11  LEU  90          HD11      LEU  90  -6.643  -1.206  -7.807
  705   HD12  LEU  90          HD12      LEU  90  -6.904  -2.609  -8.844
  706   HD13  LEU  90          HD13      LEU  90  -8.284  -1.684  -8.243
  707   HD21  LEU  90          HD21      LEU  90  -7.712  -2.316 -11.128
  708   HD22  LEU  90          HD22      LEU  90  -7.944  -0.703 -11.793
  709   HD23  LEU  90          HD23      LEU  90  -9.077  -1.334 -10.589
  710    H    LYS  91           HN       LYS  91  -9.795   2.241  -9.692
  711    HA   LYS  91           HA       LYS  91  -9.757   5.011 -10.108
  712    HB2  LYS  91           HB2      LYS  91 -11.830   5.127  -8.879
  713    HB3  LYS  91           HB1      LYS  91 -11.898   4.006 -10.252
  714    HG2  LYS  91           HG2      LYS  91 -11.839   2.139  -8.686
  715    HG3  LYS  91           HG1      LYS  91 -11.568   3.243  -7.333
  716    HD2  LYS  91           HD2      LYS  91 -13.752   4.297  -7.813
  717    HD3  LYS  91           HD1      LYS  91 -14.021   3.105  -9.079
  718    HE2  LYS  91           HE2      LYS  91 -13.912   1.315  -7.393
  719    HE3  LYS  91           HE1      LYS  91 -13.642   2.525  -6.140
  720    HZ1  LYS  91           HZ1      LYS  91 -15.963   1.811  -6.249
  721    HZ2  LYS  91           HZ2      LYS  91 -16.067   2.355  -7.844
  722    HZ3  LYS  91           HZ3      LYS  91 -15.792   3.451  -6.582
  723    H    ILE  92           HN       ILE  92  -8.682   6.408  -9.080
  724    HA   ILE  92           HA       ILE  92  -9.105   6.666  -6.212
  725    HB   ILE  92           HB       ILE  92  -6.320   6.988  -7.398
  726   HG12  ILE  92          HG12      ILE  92  -7.598   4.622  -6.012
  727   HG13  ILE  92          HG11      ILE  92  -6.804   4.685  -7.542
  728   HG21  ILE  92          HG21      ILE  92  -5.653   7.067  -5.020
  729   HG22  ILE  92          HG22      ILE  92  -7.342   6.893  -4.549
  730   HG23  ILE  92          HG23      ILE  92  -6.812   8.335  -5.416
  731   HD11  ILE  92          HD11      ILE  92  -5.371   5.037  -4.942
  732   HD12  ILE  92          HD12      ILE  92  -4.651   5.024  -6.556
  733   HD13  ILE  92          HD13      ILE  92  -5.396   3.559  -5.907
  734    H    THR  93           HN       THR  93 -10.198   8.552  -6.316
  735    HA   THR  93           HA       THR  93 -10.052  10.512  -8.310
  736    HB   THR  93           HB       THR  93 -10.835  10.929  -5.436
  737    HG1  THR  93           HG1      THR  93 -12.149   9.590  -7.573
  738   HG21  THR  93          HG21      THR  93 -11.842  12.172  -8.003
  739   HG22  THR  93          HG22      THR  93 -10.808  12.957  -6.811
  740   HG23  THR  93          HG23      THR  93 -12.465  12.527  -6.394
  741    H    GLY  94           HN       GLY  94  -8.642  12.261  -8.569
  742    HA2  GLY  94           HA2      GLY  94  -6.431  12.305  -6.749
  743    HA3  GLY  94           HA1      GLY  94  -6.527  13.163  -8.302
  744    H    ASP  95           HN       ASP  95  -8.733  14.574  -8.169
  745    HA   ASP  95           HA       ASP  95  -8.157  16.160  -5.902
  746    HB2  ASP  95           HB2      ASP  95  -9.367  18.036  -6.888
  747    HB3  ASP  95           HB1      ASP  95  -8.195  17.359  -8.007
  748    H    THR  96           HN       THR  96  -9.019  14.962  -4.425
  749    HA   THR  96           HA       THR  96 -11.929  14.718  -4.444
  750    HB   THR  96           HB       THR  96 -10.917  12.572  -4.015
  751    HG1  THR  96           HG1      THR  96 -12.622  12.450  -2.809
  752   HG21  THR  96          HG21      THR  96  -9.519  12.118  -2.042
  753   HG22  THR  96          HG22      THR  96  -9.537  13.838  -1.651
  754   HG23  THR  96          HG23      THR  96  -8.754  13.282  -3.126
  755    H    GLU  97           HN       GLU  97  -9.368  16.418  -2.915
  756    HA   GLU  97           HA       GLU  97  -9.292  18.131  -1.461
  757    HB2  GLU  97           HB2      GLU  97 -12.298  18.254  -1.826
  758    HB3  GLU  97           HB1      GLU  97 -11.283  19.535  -1.189
  759    HG2  GLU  97           HG2      GLU  97 -11.146  18.441  -4.000
  760    HG3  GLU  97           HG1      GLU  97 -11.986  19.913  -3.524
  761    H    ASN  98           HN       ASN  98 -10.027  15.280  -0.462
  762    HA   ASN  98           HA       ASN  98 -11.219  16.113   2.083
  763    HB2  ASN  98           HB2      ASN  98 -11.418  13.418   0.751
  764    HB3  ASN  98           HB1      ASN  98 -11.841  13.666   2.432
  765   HD21  ASN  98          HD21      ASN  98 -12.856  13.884  -0.795
  766   HD22  ASN  98          HD22      ASN  98 -14.400  14.576  -0.485
  767    H    ASP  99           HN       ASP  99 -10.815  14.292   3.793
  768    HA   ASP  99           HA       ASP  99  -8.005  14.384   4.569
  769    HB2  ASP  99           HB2      ASP  99  -9.872  14.984   6.093
  770    HB3  ASP  99           HB1      ASP  99 -10.534  13.371   5.918
  771    H    SER 100           HN       SER 100  -8.826  12.693   2.371
  772    HA   SER 100           HA       SER 100  -9.348  10.026   3.104
  773    HB2  SER 100           HB2      SER 100  -8.450  11.124   0.477
  774    HB3  SER 100           HB1      SER 100  -9.336   9.629   0.781
  775    HG   SER 100           HG       SER 100 -10.850  11.210   1.899
  776    H    CYS 101           HN       CYS 101  -8.188   8.252   3.020
  777    HA   CYS 101           HA       CYS 101  -5.625   8.115   1.754
  778    HB2  CYS 101           HB2      CYS 101  -5.159   6.364   3.760
  779    HB3  CYS 101           HB1      CYS 101  -4.733   8.071   3.948
  780    H    ALA 102           HN       ALA 102  -5.306   5.842   0.990
  781    HA   ALA 102           HA       ALA 102  -7.992   4.949   0.280
  782    HB1  ALA 102           HB1      ALA 102  -6.597   5.756  -1.573
  783    HB2  ALA 102           HB2      ALA 102  -7.095   4.095  -1.786
  784    HB3  ALA 102           HB3      ALA 102  -5.449   4.454  -1.260
  785    H    ALA 103           HN       ALA 103  -8.520   2.801  -0.072
  786    HA   ALA 103           HA       ALA 103  -6.915   0.730   1.200
  787    HB1  ALA 103           HB1      ALA 103  -9.794   1.353   1.944
  788    HB2  ALA 103           HB2      ALA 103  -8.398   1.509   3.011
  789    HB3  ALA 103           HB3      ALA 103  -8.917  -0.082   2.455
  790    H    ILE 104           HN       ILE 104  -7.413  -1.294   0.401
  791    HA   ILE 104           HA       ILE 104  -8.864  -1.551  -2.146
  792    HB   ILE 104           HB       ILE 104  -7.480  -3.490  -0.291
  793   HG12  ILE 104          HG12      ILE 104  -6.018  -1.997  -1.645
  794   HG13  ILE 104          HG11      ILE 104  -5.745  -3.713  -1.943
  795   HG21  ILE 104          HG21      ILE 104  -8.818  -4.187  -2.931
  796   HG22  ILE 104          HG22      ILE 104  -9.311  -4.740  -1.334
  797   HG23  ILE 104          HG23      ILE 104  -7.788  -5.281  -2.011
  798   HD11  ILE 104          HD11      ILE 104  -5.704  -2.369  -3.978
  799   HD12  ILE 104          HD12      ILE 104  -7.391  -1.892  -3.690
  800   HD13  ILE 104          HD13      ILE 104  -6.968  -3.595  -3.968
  801    H    SER 105           HN       SER 105 -10.879  -1.508  -2.133
  802    HA   SER 105           HA       SER 105 -12.249  -3.107  -0.152
  803    HB2  SER 105           HB2      SER 105 -12.292  -0.622   0.431
  804    HB3  SER 105           HB1      SER 105 -13.218  -0.388  -1.045
  805    HG   SER 105           HG       SER 105 -13.864  -1.738   1.308
  806    H    GLY 106           HN       GLY 106 -12.717  -4.616  -1.472
  807    HA2  GLY 106           HA2      GLY 106 -14.345  -5.538  -2.918
  808    HA3  GLY 106           HA1      GLY 106 -14.417  -3.992  -3.768
  809    H    ASP 107           HN       ASP 107 -13.809  -4.469  -5.717
  810    HA   ASP 107           HA       ASP 107 -11.373  -6.053  -6.209
  811    HB2  ASP 107           HB2      ASP 107 -13.595  -6.430  -7.464
  812    HB3  ASP 107           HB1      ASP 107 -13.317  -4.840  -8.134
  813    H    LYS 108           HN       LYS 108 -12.104  -3.032  -5.413
  814    HA   LYS 108           HA       LYS 108 -10.293  -1.729  -7.342
  815    HB2  LYS 108           HB2      LYS 108 -12.708  -0.384  -6.166
  816    HB3  LYS 108           HB1      LYS 108 -11.708   0.146  -7.501
  817    HG2  LYS 108           HG2      LYS 108 -13.603  -2.177  -7.509
  818    HG3  LYS 108           HG1      LYS 108 -13.860  -0.574  -8.212
  819    HD2  LYS 108           HD2      LYS 108 -12.063  -0.980  -9.825
  820    HD3  LYS 108           HD1      LYS 108 -11.631  -2.481  -9.006
  821    HE2  LYS 108           HE2      LYS 108 -13.901  -3.357  -9.596
  822    HE3  LYS 108           HE1      LYS 108 -14.138  -1.911 -10.587
  823    HZ1  LYS 108           HZ1      LYS 108 -12.121  -4.046 -10.933
  824    HZ2  LYS 108           HZ2      LYS 108 -12.039  -2.598 -11.758
  825    HZ3  LYS 108           HZ3      LYS 108 -13.347  -3.629 -12.021
  826    H    VAL 109           HN       VAL 109 -10.019   0.650  -6.386
  827    HA   VAL 109           HA       VAL 109  -9.185   0.379  -3.595
  828    HB   VAL 109           HB       VAL 109  -8.472   2.655  -5.404
  829   HG11  VAL 109          HG11      VAL 109  -7.964   2.858  -3.085
  830   HG12  VAL 109          HG12      VAL 109  -6.472   2.793  -4.029
  831   HG13  VAL 109          HG13      VAL 109  -7.007   1.376  -3.121
  832   HG21  VAL 109          HG21      VAL 109  -7.884   0.744  -6.726
  833   HG22  VAL 109          HG22      VAL 109  -6.953   0.039  -5.393
  834   HG23  VAL 109          HG23      VAL 109  -6.429   1.549  -6.162
  835    H    THR 110           HN       THR 110 -10.229   1.732  -2.173
  836    HA   THR 110           HA       THR 110 -11.810   3.919  -3.273
  837    HB   THR 110           HB       THR 110 -13.642   3.418  -1.665
  838    HG1  THR 110           HG1      THR 110 -12.188   2.368  -0.120
  839   HG21  THR 110          HG21      THR 110 -14.509   1.301  -2.642
  840   HG22  THR 110          HG22      THR 110 -12.900   0.916  -3.234
  841   HG23  THR 110          HG23      THR 110 -13.764   2.266  -3.915
  842    H    PHE 111           HN       PHE 111 -12.372   5.405  -1.090
  843    HA   PHE 111           HA       PHE 111 -10.116   5.226   0.711
  844    HB2  PHE 111           HB2      PHE 111  -9.530   7.663   0.292
  845    HB3  PHE 111           HB1      PHE 111  -9.008   6.490  -0.907
  846    HD1  PHE 111           HD2      PHE 111 -11.432   9.169  -0.198
  847    HD2  PHE 111           HD1      PHE 111  -9.804   6.550  -3.128
  848    HE1  PHE 111           HE2      PHE 111 -12.551  10.447  -1.967
  849    HE2  PHE 111           HE1      PHE 111 -10.924   7.818  -4.891
  850    HZ   PHE 111           HZ       PHE 111 -12.295   9.763  -4.321
  851    H    GLU 112           HN       GLU 112 -10.153   6.671   2.520
  852    HA   GLU 112           HA       GLU 112 -12.481   8.190   3.155
  853    HB2  GLU 112           HB2      GLU 112 -12.940   6.742   5.227
  854    HB3  GLU 112           HB1      GLU 112 -13.542   6.089   3.682
  855    HG2  GLU 112           HG2      GLU 112 -11.347   4.763   3.729
  856    HG3  GLU 112           HG1      GLU 112 -11.236   5.287   5.407
  857    H    SER 113           HN       SER 113 -12.292   8.528   5.730
  858    HA   SER 113           HA       SER 113  -9.793   9.860   6.316
  859    HB2  SER 113           HB2      SER 113 -12.144  10.415   7.173
  860    HB3  SER 113           HB1      SER 113 -11.989   8.994   8.198
  861    HG   SER 113           HG       SER 113 -10.129  11.154   8.177
  862    H    CYS 114           HN       CYS 114  -8.029   8.998   7.023
  863    HA   CYS 114           HA       CYS 114  -7.293   6.425   7.238
  864    HB2  CYS 114           HB2      CYS 114  -6.255   8.797   8.734
  865    HB3  CYS 114           HB1      CYS 114  -5.365   7.305   8.528
  866    H    ASN 115           HN       ASN 115  -9.312   7.865   9.466
  867    HA   ASN 115           HA       ASN 115  -8.162   6.520  11.794
  868    HB2  ASN 115           HB2      ASN 115 -10.329   8.575  11.889
  869    HB3  ASN 115           HB1      ASN 115  -9.156   8.161  13.128
  870   HD21  ASN 115          HD21      ASN 115  -9.715   9.973  10.222
  871   HD22  ASN 115          HD22      ASN 115  -8.259  10.834  10.148
  872    H    SER 116           HN       SER 116 -10.487   5.822   9.469
  873    HA   SER 116           HA       SER 116 -12.449   4.899  11.315
  874    HB2  SER 116           HB2      SER 116 -13.394   3.975   9.160
  875    HB3  SER 116           HB1      SER 116 -13.232   5.740   9.242
  876    HG   SER 116           HG       SER 116 -12.454   4.497   7.317
  877    H    ASP 117           HN       ASP 117 -13.204   2.612  10.937
  878    HA   ASP 117           HA       ASP 117 -11.087   0.751  11.457
  879    HB2  ASP 117           HB2      ASP 117 -12.799   0.070  12.697
  880    HB3  ASP 117           HB1      ASP 117 -14.055   0.693  11.607
  881    H    ASN 118           HN       ASN 118 -10.004  -0.278  10.025
  882    HA   ASN 118           HA       ASN 118 -11.251  -1.709   7.918
  883    HB2  ASN 118           HB2      ASN 118  -9.348   0.553   7.259
  884    HB3  ASN 118           HB1      ASN 118  -9.410  -0.881   6.252
  885   HD21  ASN 118          HD21      ASN 118 -10.026   1.854   5.596
  886   HD22  ASN 118          HD22      ASN 118 -11.659   1.897   5.045
  887    H    ARG 119           HN       ARG 119  -9.394  -2.913   6.772
  888    HA   ARG 119           HA       ARG 119  -7.609  -3.881   8.901
  889    HB2  ARG 119           HB2      ARG 119  -8.386  -5.166   6.265
  890    HB3  ARG 119           HB1      ARG 119  -7.376  -5.896   7.486
  891    HG2  ARG 119           HG2      ARG 119  -9.493  -6.957   7.597
  892    HG3  ARG 119           HG1      ARG 119  -9.410  -5.868   8.981
  893    HD2  ARG 119           HD2      ARG 119 -10.790  -4.294   7.931
  894    HD3  ARG 119           HD1      ARG 119 -10.713  -5.129   6.384
  895    HE   ARG 119           HE       ARG 119 -11.964  -6.915   7.387
  896   HH11  ARG 119          HH11      ARG 119 -11.963  -3.952   9.323
  897   HH12  ARG 119          HH12      ARG 119 -13.575  -4.108   9.830
  898   HH21  ARG 119          HH21      ARG 119 -14.212  -7.119   8.110
  899   HH22  ARG 119          HH22      ARG 119 -14.863  -5.917   9.140
  900    H    TRP 120           HN       TRP 120  -5.507  -4.943   7.200
  901    HA   TRP 120           HA       TRP 120  -4.872  -2.787   5.399
  902    HB2  TRP 120           HB2      TRP 120  -2.942  -1.879   6.503
  903    HB3  TRP 120           HB1      TRP 120  -4.286  -1.816   7.632
  904    HD1  TRP 120           HD1      TRP 120  -0.821  -3.098   7.221
  905    HE1  TRP 120           HE1      TRP 120  -0.069  -4.358   9.280
  906    HE3  TRP 120           HE3      TRP 120  -5.322  -3.455   9.584
  907    HZ2  TRP 120           HZ2      TRP 120  -1.237  -5.423  11.647
  908    HZ3  TRP 120           HZ3      TRP 120  -5.418  -4.606  11.740
  909    HH2  TRP 120           HH2      TRP 120  -3.421  -5.576  12.751
  910    H    ILE 121           HN       ILE 121  -2.792  -3.019   4.314
  911    HA   ILE 121           HA       ILE 121  -1.920  -5.829   4.214
  912    HB   ILE 121           HB       ILE 121  -2.151  -3.860   1.911
  913   HG12  ILE 121          HG12      ILE 121  -3.553  -6.487   2.237
  914   HG13  ILE 121          HG11      ILE 121  -4.263  -5.002   2.840
  915   HG21  ILE 121          HG21      ILE 121  -1.243  -6.754   1.895
  916   HG22  ILE 121          HG22      ILE 121  -0.187  -5.359   1.700
  917   HG23  ILE 121          HG23      ILE 121  -1.411  -5.707   0.481
  918   HD11  ILE 121          HD11      ILE 121  -3.487  -5.581  -0.008
  919   HD12  ILE 121          HD12      ILE 121  -4.250  -4.099   0.571
  920   HD13  ILE 121          HD13      ILE 121  -5.128  -5.629   0.638
  921    H    CYS 122           HN       CYS 122   0.103  -6.096   4.624
  922    HA   CYS 122           HA       CYS 122   1.962  -3.804   4.546
  923    HB2  CYS 122           HB2      CYS 122   2.184  -6.464   5.952
  924    HB3  CYS 122           HB1      CYS 122   3.407  -5.211   5.983
  925    H    GLN 123           HN       GLN 123   3.896  -4.016   3.381
  926    HA   GLN 123           HA       GLN 123   4.245  -6.559   2.008
  927    HB2  GLN 123           HB2      GLN 123   5.032  -5.519   0.022
  928    HB3  GLN 123           HB1      GLN 123   3.555  -4.673   0.427
  929    HG2  GLN 123           HG2      GLN 123   4.772  -2.773   1.202
  930    HG3  GLN 123           HG1      GLN 123   6.299  -3.647   1.101
  931   HE21  GLN 123          HE21      GLN 123   7.278  -2.353  -0.338
  932   HE22  GLN 123          HE22      GLN 123   6.781  -2.093  -1.953
  933    H    LYS 124           HN       LYS 124   6.160  -7.398   2.240
  934    HA   LYS 124           HA       LYS 124   8.175  -5.797   3.650
  935    HB2  LYS 124           HB2      LYS 124   7.197  -7.948   4.681
  936    HB3  LYS 124           HB1      LYS 124   8.092  -8.802   3.436
  937    HG2  LYS 124           HG2      LYS 124  10.165  -7.909   4.279
  938    HG3  LYS 124           HG1      LYS 124   9.297  -6.990   5.515
  939    HD2  LYS 124           HD2      LYS 124   8.388  -9.107   6.369
  940    HD3  LYS 124           HD1      LYS 124   9.366  -9.971   5.197
  941    HE2  LYS 124           HE2      LYS 124  10.298  -8.292   7.530
  942    HE3  LYS 124           HE1      LYS 124  10.464 -10.042   7.266
  943    HZ1  LYS 124           HZ1      LYS 124  12.509  -8.726   6.895
  944    HZ2  LYS 124           HZ2      LYS 124  11.826  -8.050   5.511
  945    HZ3  LYS 124           HZ3      LYS 124  12.079  -9.724   5.630
  946    H    GLU 125           HN       GLU 125   9.598  -5.062   2.268
  947    HA   GLU 125           HA       GLU 125   9.721  -6.181  -0.374
  948    HB2  GLU 125           HB2      GLU 125   9.587  -3.746   0.021
  949    HB3  GLU 125           HB1      GLU 125  11.171  -3.796   0.780
  950    HG2  GLU 125           HG2      GLU 125  12.185  -4.424  -1.319
  951    HG3  GLU 125           HG1      GLU 125  10.604  -4.514  -2.096
  952    H    LEU 126           HN       LEU 126  11.125  -7.505  -1.093
  953    HA   LEU 126           HA       LEU 126  13.148  -8.606   0.621
  954    HB2  LEU 126           HB2      LEU 126  12.398  -9.195  -2.241
  955    HB3  LEU 126           HB1      LEU 126  13.657 -10.064  -1.422
  956    HG   LEU 126           HG       LEU 126  11.865 -11.499  -1.342
  957   HD11  LEU 126          HD11      LEU 126  11.163 -11.691   0.833
  958   HD12  LEU 126          HD12      LEU 126  11.561 -10.003   1.161
  959   HD13  LEU 126          HD13      LEU 126  12.872 -11.180   0.847
  960   HD21  LEU 126          HD21      LEU 126  10.172  -9.924  -2.102
  961   HD22  LEU 126          HD22      LEU 126  10.084  -9.294  -0.450
  962   HD23  LEU 126          HD23      LEU 126   9.649 -10.973  -0.784
  963    H    TYR 127           HN       TYR 127  12.963  -6.213  -1.702
  964    HA   TYR 127           HA       TYR 127  15.828  -6.202  -2.169
  965    HB2  TYR 127           HB2      TYR 127  13.524  -4.863  -3.500
  966    HB3  TYR 127           HB1      TYR 127  15.129  -4.161  -3.655
  967    HD1  TYR 127           HD2      TYR 127  13.695  -7.623  -3.801
  968    HD2  TYR 127           HD1      TYR 127  16.183  -4.696  -5.610
  969    HE1  TYR 127           HE2      TYR 127  14.226  -9.205  -5.585
  970    HE2  TYR 127           HE1      TYR 127  16.741  -6.266  -7.405
  971    HH   TYR 127           HH       TYR 127  16.796  -8.753  -7.664
  972    H    HIS 128           HN       HIS 128  14.499  -5.453   0.424
  973    HA   HIS 128           HA       HIS 128  14.913  -2.683   0.866
  974    HB2  HIS 128           HB2      HIS 128  13.730  -4.230   2.488
  975    HB3  HIS 128           HB1      HIS 128  15.291  -4.944   2.871
  976    HD1  HIS 128           HD1      HIS 128  16.928  -3.525   4.354
  977    HD2  HIS 128           HD2      HIS 128  13.242  -1.719   3.643
  978    HE1  HIS 128           HE1      HIS 128  16.773  -1.663   5.972
  979    HE2  HIS 128           HE2      HIS 128  14.752  -0.376   5.229
  980    H    GLU 129           HN       GLU 129  16.939  -5.487   1.003
  981    HA   GLU 129           HA       GLU 129  19.344  -3.830   1.107
  982    HB2  GLU 129           HB2      GLU 129  18.866  -6.791   1.527
  983    HB3  GLU 129           HB1      GLU 129  20.464  -6.179   1.174
  984    HG2  GLU 129           HG2      GLU 129  20.060  -6.607   3.570
  985    HG3  GLU 129           HG1      GLU 129  20.515  -4.943   3.228
  986    H    THR 130           HN       THR 130  19.376  -3.058  -0.978
  987    HA   THR 130           HA       THR 130  19.037  -4.951  -3.148
  988    HB   THR 130           HB       THR 130  19.811  -2.022  -3.350
  989    HG1  THR 130           HG1      THR 130  17.463  -3.164  -2.553
  990   HG21  THR 130          HG21      THR 130  20.124  -3.355  -5.391
  991   HG22  THR 130          HG22      THR 130  18.781  -2.223  -5.575
  992   HG23  THR 130          HG23      THR 130  18.461  -3.927  -5.272
  993    H    LEU 131           HN       LEU 131  21.498  -3.232  -1.408
  994    HA   LEU 131           HA       LEU 131  23.545  -4.596  -2.998
  995    HB2  LEU 131           HB2      LEU 131  23.739  -1.939  -1.553
  996    HB3  LEU 131           HB1      LEU 131  25.104  -2.787  -2.227
  997    HG   LEU 131           HG       LEU 131  24.619  -1.016  -3.684
  998   HD11  LEU 131          HD11      LEU 131  24.056  -2.051  -5.786
  999   HD12  LEU 131          HD12      LEU 131  23.510  -3.484  -4.914
 1000   HD13  LEU 131          HD13      LEU 131  25.204  -2.991  -4.828
 1001   HD21  LEU 131          HD21      LEU 131  22.444  -0.583  -4.716
 1002   HD22  LEU 131          HD22      LEU 131  22.342  -0.476  -2.957
 1003   HD23  LEU 131          HD23      LEU 131  21.751  -1.915  -3.796
 1004    H    SER 132           HN       SER 132  24.702  -6.007  -1.845
 1005    HA   SER 132           HA       SER 132  24.459  -5.951   1.034
 1006    HB2  SER 132           HB2      SER 132  25.903  -7.899  -0.803
 1007    HB3  SER 132           HB1      SER 132  25.759  -8.078   0.948
 1008    HG   SER 132           HG       SER 132  23.854  -8.430  -1.053
 1009    H    ASN 133           HN       ASN 133  25.500  -4.170   1.603
 1010    HA   ASN 133           HA       ASN 133  27.869  -3.177   0.440
 1011    HB2  ASN 133           HB2      ASN 133  26.773  -2.607   3.171
 1012    HB3  ASN 133           HB1      ASN 133  27.906  -1.601   2.284
 1013   HD21  ASN 133          HD21      ASN 133  27.148  -0.438   0.459
 1014   HD22  ASN 133          HD22      ASN 133  25.472  -0.072   0.272
 1015    H    TYR 134           HN       TYR 134  27.218  -4.532   3.647
 1016    HA   TYR 134           HA       TYR 134  28.418  -5.783   5.089
 1017    HB2  TYR 134           HB2      TYR 134  28.682  -7.386   3.357
 1018    HB3  TYR 134           HB1      TYR 134  29.846  -6.385   2.515
 1019    HD1  TYR 134           HD2      TYR 134  29.395  -8.598   5.476
 1020    HD2  TYR 134           HD1      TYR 134  32.151  -6.607   2.931
 1021    HE1  TYR 134           HE2      TYR 134  31.261  -9.848   6.507
 1022    HE2  TYR 134           HE1      TYR 134  34.006  -7.834   3.944
 1023    HH   TYR 134           HH       TYR 134  34.497  -8.934   5.993
 1024    H    VAL 135           HN       VAL 135  29.458  -3.003   3.853
 1025    HA   VAL 135           HA       VAL 135  31.009  -1.431   4.270
 1026    HB   VAL 135           HB       VAL 135  31.877  -3.143   6.667
 1027   HG11  VAL 135          HG11      VAL 135  32.623  -1.032   7.671
 1028   HG12  VAL 135          HG12      VAL 135  32.201  -0.189   6.180
 1029   HG13  VAL 135          HG13      VAL 135  33.483  -1.400   6.174
 1030   HG21  VAL 135          HG21      VAL 135  29.767  -0.982   6.565
 1031   HG22  VAL 135          HG22      VAL 135  30.360  -1.758   8.033
 1032   HG23  VAL 135          HG23      VAL 135  29.500  -2.705   6.820
 1033    H    GLY 136           HN       GLY 136  31.444  -3.954   2.750
 1034    HA2  GLY 136           HA2      GLY 136  34.325  -4.329   2.824
 1035    HA3  GLY 136           HA1      GLY 136  33.172  -5.209   1.820
 1036    H    TYR 137           HN       TYR 137  34.938  -2.250   2.199
 1037    HA   TYR 137           HA       TYR 137  34.199  -1.465  -0.534
 1038    HB2  TYR 137           HB2      TYR 137  35.601   0.193   1.576
 1039    HB3  TYR 137           HB1      TYR 137  34.900   0.758   0.067
 1040    HD1  TYR 137           HD2      TYR 137  32.240  -0.262  -0.034
 1041    HD2  TYR 137           HD1      TYR 137  34.436   0.985   3.384
 1042    HE1  TYR 137           HE2      TYR 137  30.129   0.174   1.164
 1043    HE2  TYR 137           HE1      TYR 137  32.335   1.411   4.583
 1044    HH   TYR 137           HH       TYR 137  29.924   1.959   3.903
 1045    H    GLY 138           HN       GLY 138  36.259  -3.364   0.721
 1046    HA2  GLY 138           HA2      GLY 138  38.209  -3.363  -1.208
 1047    HA3  GLY 138           HA1      GLY 138  38.836  -2.374   0.113
 1048    H    HIS 139           HN       HIS 139  37.911  -3.515   2.314
 1049    HA   HIS 139           HA       HIS 139  38.410  -6.376   2.192
 1050    HB2  HIS 139           HB2      HIS 139  39.958  -4.500   4.011
 1051    HB3  HIS 139           HB1      HIS 139  39.882  -6.239   4.230
 1052    HD1  HIS 139           HD1      HIS 139  41.145  -7.702   2.424
 1053    HD2  HIS 139           HD2      HIS 139  41.749  -3.603   2.123
 1054    HE1  HIS 139           HE1      HIS 139  43.132  -7.426   0.950
 1055    HE2  HIS 139           HE2      HIS 139  43.665  -4.990   1.096
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1  14.597  -9.988  -9.745
    2    H2   SER   1           HT2      SER   1  15.765  -9.982 -10.972
    3    H3   SER   1           HT3      SER   1  15.737 -11.250  -9.874
    4    HA   SER   1           HA       SER   1  13.710 -10.492 -11.878
    5    HB2  SER   1           HB2      SER   1  15.545 -12.893 -11.774
    6    HB3  SER   1           HB1      SER   1  14.441 -12.464 -13.085
    7    HG   SER   1           HG       SER   1  16.598 -11.739 -13.528
    8    H    ALA   2           HN       ALA   2  14.475 -12.556  -9.069
    9    HA   ALA   2           HA       ALA   2  11.649 -13.223  -8.950
   10    HB1  ALA   2           HB1      ALA   2  13.929 -15.164  -8.494
   11    HB2  ALA   2           HB2      ALA   2  12.842 -15.170  -9.881
   12    HB3  ALA   2           HB3      ALA   2  12.211 -15.509  -8.271
   13    H    LYS   3           HN       LYS   3  10.839 -12.923  -6.937
   14    HA   LYS   3           HA       LYS   3  12.318 -11.542  -5.004
   15    HB2  LYS   3           HB2      LYS   3  10.358 -11.262  -3.922
   16    HB3  LYS   3           HB1      LYS   3   9.692 -11.796  -5.451
   17    HG2  LYS   3           HG2      LYS   3  10.226 -13.573  -3.103
   18    HG3  LYS   3           HG1      LYS   3   8.692 -12.773  -3.389
   19    HD2  LYS   3           HD2      LYS   3   8.095 -14.263  -5.021
   20    HD3  LYS   3           HD1      LYS   3   9.753 -14.387  -5.624
   21    HE2  LYS   3           HE2      LYS   3   8.781 -16.484  -4.544
   22    HE3  LYS   3           HE1      LYS   3  10.359 -15.956  -3.977
   23    HZ1  LYS   3           HZ1      LYS   3   8.933 -16.611  -2.150
   24    HZ2  LYS   3           HZ2      LYS   3   7.784 -15.425  -2.562
   25    HZ3  LYS   3           HZ3      LYS   3   9.349 -14.992  -2.064
   26    H    LEU   4           HN       LEU   4  12.595 -12.148  -2.745
   27    HA   LEU   4           HA       LEU   4  13.731 -14.797  -2.517
   28    HB2  LEU   4           HB2      LEU   4  13.823 -12.422  -0.622
   29    HB3  LEU   4           HB1      LEU   4  14.668 -13.930  -0.375
   30    HG   LEU   4           HG       LEU   4  15.909 -13.361  -2.598
   31   HD11  LEU   4          HD11      LEU   4  14.407 -11.479  -3.249
   32   HD12  LEU   4          HD12      LEU   4  16.126 -11.145  -3.265
   33   HD13  LEU   4          HD13      LEU   4  15.154 -10.527  -1.952
   34   HD21  LEU   4          HD21      LEU   4  17.002 -13.378  -0.446
   35   HD22  LEU   4          HD22      LEU   4  16.368 -11.774  -0.090
   36   HD23  LEU   4          HD23      LEU   4  17.538 -11.988  -1.388
   37    H    GLU   5           HN       GLU   5  13.312 -15.359   0.204
   38    HA   GLU   5           HA       GLU   5  10.495 -15.897   0.011
   39    HB2  GLU   5           HB2      GLU   5  12.652 -17.172   1.591
   40    HB3  GLU   5           HB1      GLU   5  10.972 -17.367   2.081
   41    HG2  GLU   5           HG2      GLU   5  12.029 -18.007  -0.661
   42    HG3  GLU   5           HG1      GLU   5  11.760 -19.187   0.627
   43    H    CYS   6           HN       CYS   6   9.022 -15.719   1.522
   44    HA   CYS   6           HA       CYS   6   9.319 -13.392   3.287
   45    HB2  CYS   6           HB2      CYS   6   6.930 -14.559   1.876
   46    HB3  CYS   6           HB1      CYS   6   6.948 -13.084   2.846
   47    HA   PRO   7           HA       PRO   7   8.000 -15.886   6.772
   48    HB2  PRO   7           HB2      PRO   7   5.906 -13.878   7.399
   49    HB3  PRO   7           HB1      PRO   7   7.253 -14.437   8.411
   50    HG2  PRO   7           HG2      PRO   7   7.300 -12.034   7.346
   51    HG3  PRO   7           HG1      PRO   7   8.773 -13.025   7.433
   52    HD2  PRO   7           HD2      PRO   7   6.996 -12.496   5.110
   53    HD3  PRO   7           HD1      PRO   7   8.771 -12.528   5.209
   54    H    GLN   8           HN       GLN   8   6.126 -16.983   7.707
   55    HA   GLN   8           HA       GLN   8   4.772 -18.511   5.839
   56    HB2  GLN   8           HB2      GLN   8   3.548 -19.471   7.716
   57    HB3  GLN   8           HB1      GLN   8   5.258 -19.275   8.090
   58    HG2  GLN   8           HG2      GLN   8   4.794 -17.290   9.364
   59    HG3  GLN   8           HG1      GLN   8   3.097 -17.360   8.916
   60   HE21  GLN   8          HE21      GLN   8   2.395 -17.431  10.907
   61   HE22  GLN   8          HE22      GLN   8   2.575 -18.765  11.997
   62    H    ASP   9           HN       ASP   9   3.528 -15.623   7.465
   63    HA   ASP   9           HA       ASP   9   0.811 -16.185   6.548
   64    HB2  ASP   9           HB2      ASP   9   1.921 -13.916   8.216
   65    HB3  ASP   9           HB1      ASP   9   0.245 -14.045   7.736
   66    H    TRP  10           HN       TRP  10   3.354 -15.096   4.991
   67    HA   TRP  10           HA       TRP  10   1.982 -12.806   3.766
   68    HB2  TRP  10           HB2      TRP  10   4.938 -13.398   3.967
   69    HB3  TRP  10           HB1      TRP  10   4.229 -12.042   3.102
   70    HD1  TRP  10           HD1      TRP  10   3.981 -13.363   6.768
   71    HE1  TRP  10           HE1      TRP  10   4.195 -11.358   8.351
   72    HE3  TRP  10           HE3      TRP  10   4.473  -9.660   3.298
   73    HZ2  TRP  10           HZ2      TRP  10   4.542  -8.574   8.152
   74    HZ3  TRP  10           HZ3      TRP  10   4.749  -7.356   4.085
   75    HH2  TRP  10           HH2      TRP  10   4.780  -6.828   6.460
   76    H    LEU  11           HN       LEU  11   1.874 -12.693   1.581
   77    HA   LEU  11           HA       LEU  11   2.636 -15.085   0.021
   78    HB2  LEU  11           HB2      LEU  11   1.002 -12.707  -0.929
   79    HB3  LEU  11           HB1      LEU  11   1.179 -14.247  -1.726
   80    HG   LEU  11           HG       LEU  11  -0.989 -14.249  -0.958
   81   HD11  LEU  11          HD11      LEU  11   0.546 -15.725   1.139
   82   HD12  LEU  11          HD12      LEU  11   0.023 -16.329  -0.435
   83   HD13  LEU  11          HD13      LEU  11  -1.173 -15.924   0.797
   84   HD21  LEU  11          HD21      LEU  11  -1.746 -13.564   1.255
   85   HD22  LEU  11          HD22      LEU  11  -0.853 -12.265   0.447
   86   HD23  LEU  11          HD23      LEU  11  -0.078 -13.206   1.717
   87    H    SER  12           HN       SER  12   3.362 -14.172  -2.390
   88    HA   SER  12           HA       SER  12   4.785 -11.698  -2.110
   89    HB2  SER  12           HB2      SER  12   6.999 -12.696  -2.560
   90    HB3  SER  12           HB1      SER  12   6.324 -13.094  -0.983
   91    HG   SER  12           HG       SER  12   5.528 -14.956  -2.710
   92    H    HIS  13           HN       HIS  13   5.583 -10.824  -3.982
   93    HA   HIS  13           HA       HIS  13   5.388 -12.244  -6.504
   94    HB2  HIS  13           HB2      HIS  13   3.053 -11.354  -6.074
   95    HB3  HIS  13           HB1      HIS  13   3.765  -9.746  -5.997
   96    HD1  HIS  13           HD1      HIS  13   3.513  -8.440  -8.106
   97    HD2  HIS  13           HD2      HIS  13   3.718 -12.546  -8.800
   98    HE1  HIS  13           HE1      HIS  13   3.101  -8.744 -10.520
   99    HE2  HIS  13           HE2      HIS  13   2.833 -11.200 -10.798
  100    H    ARG  14           HN       ARG  14   6.935 -11.474  -7.860
  101    HA   ARG  14           HA       ARG  14   8.483 -10.220  -8.845
  102    HB2  ARG  14           HB2      ARG  14   7.025  -7.976  -7.480
  103    HB3  ARG  14           HB1      ARG  14   8.470  -7.690  -8.425
  104    HG2  ARG  14           HG2      ARG  14   5.901  -8.892  -9.427
  105    HG3  ARG  14           HG1      ARG  14   6.455  -7.238  -9.698
  106    HD2  ARG  14           HD2      ARG  14   8.550  -8.321 -10.725
  107    HD3  ARG  14           HD1      ARG  14   7.573  -9.801 -10.725
  108    HE   ARG  14           HE       ARG  14   5.945  -8.100 -11.955
  109   HH11  ARG  14          HH11      ARG  14   9.297  -9.019 -12.568
  110   HH12  ARG  14          HH12      ARG  14   9.303  -8.469 -14.180
  111   HH21  ARG  14          HH21      ARG  14   5.909  -7.386 -14.126
  112   HH22  ARG  14          HH22      ARG  14   7.306  -7.559 -15.111
  113    H    ASP  15           HN       ASP  15   8.240  -8.620  -5.751
  114    HA   ASP  15           HA       ASP  15  10.768  -9.514  -4.801
  115    HB2  ASP  15           HB2      ASP  15  11.899  -7.296  -4.829
  116    HB3  ASP  15           HB1      ASP  15  11.697  -7.988  -6.434
  117    H    LYS  16           HN       LYS  16   7.910  -9.121  -3.960
  118    HA   LYS  16           HA       LYS  16   8.391  -7.772  -1.471
  119    HB2  LYS  16           HB2      LYS  16   6.112  -6.888  -3.270
  120    HB3  LYS  16           HB1      LYS  16   6.148  -6.600  -1.552
  121    HG2  LYS  16           HG2      LYS  16   6.847  -4.561  -2.443
  122    HG3  LYS  16           HG1      LYS  16   8.360  -5.354  -2.021
  123    HD2  LYS  16           HD2      LYS  16   8.624  -4.358  -4.147
  124    HD3  LYS  16           HD1      LYS  16   8.567  -6.111  -4.327
  125    HE2  LYS  16           HE2      LYS  16   6.260  -5.991  -5.069
  126    HE3  LYS  16           HE1      LYS  16   6.289  -4.236  -4.831
  127    HZ1  LYS  16           HZ1      LYS  16   6.625  -5.042  -7.159
  128    HZ2  LYS  16           HZ2      LYS  16   8.175  -5.611  -6.683
  129    HZ3  LYS  16           HZ3      LYS  16   7.817  -3.987  -6.601
  130    H    CYS  17           HN       CYS  17   7.254  -8.543   0.123
  131    HA   CYS  17           HA       CYS  17   5.549 -10.895  -0.256
  132    HB2  CYS  17           HB2      CYS  17   6.366  -9.586   2.321
  133    HB3  CYS  17           HB1      CYS  17   5.867 -11.242   2.046
  134    H    PHE  18           HN       PHE  18   3.404 -10.832   0.660
  135    HA   PHE  18           HA       PHE  18   2.471  -8.135   1.401
  136    HB2  PHE  18           HB2      PHE  18   0.881 -10.076  -0.264
  137    HB3  PHE  18           HB1      PHE  18   0.450  -8.421   0.126
  138    HD1  PHE  18           HD2      PHE  18   2.419  -6.669  -0.627
  139    HD2  PHE  18           HD1      PHE  18   1.619 -10.481  -2.309
  140    HE1  PHE  18           HE2      PHE  18   3.572  -5.988  -2.682
  141    HE2  PHE  18           HE1      PHE  18   2.776  -9.830  -4.363
  142    HZ   PHE  18           HZ       PHE  18   3.770  -7.558  -4.560
  143    H    HIS  19           HN       HIS  19   1.281  -8.086   3.141
  144    HA   HIS  19           HA       HIS  19   0.146 -10.610   4.146
  145    HB2  HIS  19           HB2      HIS  19   1.988  -9.635   5.645
  146    HB3  HIS  19           HB1      HIS  19   0.932  -8.249   5.875
  147    HD1  HIS  19           HD1      HIS  19  -1.024  -8.498   7.604
  148    HD2  HIS  19           HD2      HIS  19   1.057 -12.035   6.858
  149    HE1  HIS  19           HE1      HIS  19  -1.831 -10.125   9.289
  150    HE2  HIS  19           HE2      HIS  19  -0.721 -12.285   8.726
  151    H    VAL  20           HN       VAL  20  -1.918 -10.506   3.662
  152    HA   VAL  20           HA       VAL  20  -3.352  -7.998   3.693
  153    HB   VAL  20           HB       VAL  20  -4.355 -10.842   3.249
  154   HG11  VAL  20          HG11      VAL  20  -6.348  -9.783   2.290
  155   HG12  VAL  20          HG12      VAL  20  -5.699  -8.197   2.696
  156   HG13  VAL  20          HG13      VAL  20  -6.126  -9.329   3.981
  157   HG21  VAL  20          HG21      VAL  20  -2.759 -10.175   1.514
  158   HG22  VAL  20          HG22      VAL  20  -3.687  -8.703   1.229
  159   HG23  VAL  20          HG23      VAL  20  -4.396 -10.274   0.862
  160    H    SER  21           HN       SER  21  -3.367  -7.337   5.758
  161    HA   SER  21           HA       SER  21  -3.789  -9.096   7.956
  162    HB2  SER  21           HB2      SER  21  -3.814  -6.083   7.873
  163    HB3  SER  21           HB1      SER  21  -3.467  -7.119   9.259
  164    HG   SER  21           HG       SER  21  -1.678  -6.116   8.038
  165    H    GLN  22           HN       GLN  22  -5.797  -9.862   8.279
  166    HA   GLN  22           HA       GLN  22  -8.164  -8.450   7.390
  167    HB2  GLN  22           HB2      GLN  22  -7.748 -11.145   8.645
  168    HB3  GLN  22           HB1      GLN  22  -9.347 -10.476   8.378
  169    HG2  GLN  22           HG2      GLN  22  -7.291 -11.004   6.244
  170    HG3  GLN  22           HG1      GLN  22  -8.680 -12.023   6.618
  171   HE21  GLN  22          HE21      GLN  22 -10.443  -9.718   7.089
  172   HE22  GLN  22          HE22      GLN  22 -10.817  -9.053   5.544
  173    H    VAL  23           HN       VAL  23  -6.517  -7.593   9.700
  174    HA   VAL  23           HA       VAL  23  -8.610  -7.479  11.758
  175    HB   VAL  23           HB       VAL  23  -6.687  -6.783  13.338
  176   HG11  VAL  23          HG11      VAL  23  -5.969  -9.102  13.718
  177   HG12  VAL  23          HG12      VAL  23  -6.650  -9.554  12.151
  178   HG13  VAL  23          HG13      VAL  23  -7.706  -8.970  13.444
  179   HG21  VAL  23          HG21      VAL  23  -5.038  -7.958  11.102
  180   HG22  VAL  23          HG22      VAL  23  -4.442  -7.529  12.702
  181   HG23  VAL  23          HG23      VAL  23  -5.027  -6.271  11.613
  182    H    SER  24           HN       SER  24  -8.825  -5.338  12.808
  183    HA   SER  24           HA       SER  24  -8.273  -3.375  10.708
  184    HB2  SER  24           HB2      SER  24 -10.622  -3.366  12.592
  185    HB3  SER  24           HB1      SER  24 -10.301  -2.208  11.309
  186    HG   SER  24           HG       SER  24 -10.735  -4.974  11.034
  187    H    ASN  25           HN       ASN  25  -7.701  -1.356  11.066
  188    HA   ASN  25           HA       ASN  25  -7.066  -0.275  13.674
  189    HB2  ASN  25           HB2      ASN  25  -5.140  -1.220  11.659
  190    HB3  ASN  25           HB1      ASN  25  -4.723   0.263  12.531
  191   HD21  ASN  25          HD21      ASN  25  -3.112  -1.891  12.605
  192   HD22  ASN  25          HD22      ASN  25  -3.149  -2.641  14.135
  193    H    THR  26           HN       THR  26  -6.151   2.016  13.265
  194    HA   THR  26           HA       THR  26  -7.479   3.200  11.034
  195    HB   THR  26           HB       THR  26  -6.396   5.320  11.811
  196    HG1  THR  26           HG1      THR  26  -4.796   5.283  13.087
  197   HG21  THR  26          HG21      THR  26  -7.687   3.726  14.028
  198   HG22  THR  26          HG22      THR  26  -8.541   4.636  12.785
  199   HG23  THR  26          HG23      THR  26  -7.550   5.484  13.975
  200    H    TRP  27           HN       TRP  27  -6.058   4.689   9.576
  201    HA   TRP  27           HA       TRP  27  -4.515   2.973   7.989
  202    HB2  TRP  27           HB2      TRP  27  -5.605   4.970   7.074
  203    HB3  TRP  27           HB1      TRP  27  -4.532   5.995   8.026
  204    HD1  TRP  27           HD1      TRP  27  -4.550   3.783   4.913
  205    HE1  TRP  27           HE1      TRP  27  -2.458   4.262   3.531
  206    HE3  TRP  27           HE3      TRP  27  -2.169   6.875   8.177
  207    HZ2  TRP  27           HZ2      TRP  27  -0.077   5.807   3.788
  208    HZ3  TRP  27           HZ3      TRP  27  -0.017   7.806   7.584
  209    HH2  TRP  27           HH2      TRP  27   1.034   7.293   5.404
  210    H    GLU  28           HN       GLU  28  -3.496   5.543  10.137
  211    HA   GLU  28           HA       GLU  28  -0.721   5.244   9.632
  212    HB2  GLU  28           HB2      GLU  28  -1.198   6.318  12.275
  213    HB3  GLU  28           HB1      GLU  28  -0.455   7.086  10.894
  214    HG2  GLU  28           HG2      GLU  28  -2.294   8.421  11.634
  215    HG3  GLU  28           HG1      GLU  28  -2.737   7.693  10.095
  216    H    GLU  29           HN       GLU  29  -2.877   3.811  12.004
  217    HA   GLU  29           HA       GLU  29  -0.929   2.733  13.691
  218    HB2  GLU  29           HB2      GLU  29  -3.295   3.147  14.206
  219    HB3  GLU  29           HB1      GLU  29  -3.753   1.889  13.083
  220    HG2  GLU  29           HG2      GLU  29  -3.915   1.181  15.317
  221    HG3  GLU  29           HG1      GLU  29  -2.662   0.241  14.504
  222    H    GLY  30           HN       GLY  30  -2.754   1.403  10.917
  223    HA2  GLY  30           HA2      GLY  30  -1.556  -1.173  10.847
  224    HA3  GLY  30           HA1      GLY  30  -2.298  -0.390   9.488
  225    H    LEU  31           HN       LEU  31  -0.509   1.885   9.547
  226    HA   LEU  31           HA       LEU  31   1.609   0.988   7.916
  227    HB2  LEU  31           HB2      LEU  31   0.594   3.365   8.224
  228    HB3  LEU  31           HB1      LEU  31   1.656   3.504   9.593
  229    HG   LEU  31           HG       LEU  31   2.485   3.247   6.692
  230   HD11  LEU  31          HD11      LEU  31   1.558   5.395   7.236
  231   HD12  LEU  31          HD12      LEU  31   3.299   5.525   6.979
  232   HD13  LEU  31          HD13      LEU  31   2.645   5.542   8.616
  233   HD21  LEU  31          HD21      LEU  31   4.236   3.628   9.128
  234   HD22  LEU  31          HD22      LEU  31   4.780   3.682   7.450
  235   HD23  LEU  31          HD23      LEU  31   4.168   2.176   8.132
  236    H    VAL  32           HN       VAL  32   1.543   2.053  11.308
  237    HA   VAL  32           HA       VAL  32   4.227   1.491  11.931
  238    HB   VAL  32           HB       VAL  32   1.832   1.601  13.802
  239   HG11  VAL  32          HG11      VAL  32   3.449   2.122  15.571
  240   HG12  VAL  32          HG12      VAL  32   4.774   1.892  14.429
  241   HG13  VAL  32          HG13      VAL  32   3.754   0.528  14.880
  242   HG21  VAL  32          HG21      VAL  32   2.104   3.637  12.496
  243   HG22  VAL  32          HG22      VAL  32   3.791   3.747  13.008
  244   HG23  VAL  32          HG23      VAL  32   2.494   3.915  14.191
  245    H    ASP  33           HN       ASP  33   1.353  -0.485  11.975
  246    HA   ASP  33           HA       ASP  33   2.440  -2.721  13.246
  247    HB2  ASP  33           HB2      ASP  33   0.134  -2.278  11.482
  248    HB3  ASP  33           HB1      ASP  33   0.695  -3.933  11.578
  249    H    CYS  34           HN       CYS  34   2.436  -1.854   9.816
  250    HA   CYS  34           HA       CYS  34   3.728  -4.217   8.951
  251    HB2  CYS  34           HB2      CYS  34   3.895  -1.496   7.670
  252    HB3  CYS  34           HB1      CYS  34   4.227  -2.983   6.880
  253    H    ASP  35           HN       ASP  35   4.922  -1.052   9.939
  254    HA   ASP  35           HA       ASP  35   7.655  -1.442   9.534
  255    HB2  ASP  35           HB2      ASP  35   6.186   0.185  11.621
  256    HB3  ASP  35           HB1      ASP  35   7.938   0.132  11.560
  257    H    GLY  36           HN       GLY  36   5.567  -2.358  12.131
  258    HA2  GLY  36           HA2      GLY  36   7.398  -3.331  13.992
  259    HA3  GLY  36           HA1      GLY  36   5.724  -3.836  13.836
  260    H    LYS  37           HN       LYS  37   6.334  -4.818  11.011
  261    HA   LYS  37           HA       LYS  37   7.502  -7.372  11.887
  262    HB2  LYS  37           HB2      LYS  37   6.084  -6.740   9.296
  263    HB3  LYS  37           HB1      LYS  37   6.789  -8.282   9.672
  264    HG2  LYS  37           HG2      LYS  37   4.610  -8.735  10.188
  265    HG3  LYS  37           HG1      LYS  37   5.124  -8.091  11.741
  266    HD2  LYS  37           HD2      LYS  37   4.274  -5.910  11.169
  267    HD3  LYS  37           HD1      LYS  37   3.871  -6.484   9.549
  268    HE2  LYS  37           HE2      LYS  37   1.892  -6.380  10.940
  269    HE3  LYS  37           HE1      LYS  37   2.272  -8.035  10.473
  270    HZ1  LYS  37           HZ1      LYS  37   2.923  -6.826  13.116
  271    HZ2  LYS  37           HZ2      LYS  37   3.191  -8.420  12.659
  272    HZ3  LYS  37           HZ3      LYS  37   1.619  -7.843  12.802
  273    H    GLY  38           HN       GLY  38   8.712  -4.612  10.768
  274    HA2  GLY  38           HA2      GLY  38  10.640  -4.093   9.624
  275    HA3  GLY  38           HA1      GLY  38  10.995  -5.824   9.541
  276    H    ALA  39           HN       ALA  39   8.322  -3.866   8.400
  277    HA   ALA  39           HA       ALA  39   8.887  -4.482   5.635
  278    HB1  ALA  39           HB1      ALA  39   6.342  -5.203   7.080
  279    HB2  ALA  39           HB2      ALA  39   7.515  -6.348   6.334
  280    HB3  ALA  39           HB3      ALA  39   6.558  -5.252   5.336
  281    H    THR  40           HN       THR  40   6.962  -3.273   4.368
  282    HA   THR  40           HA       THR  40   6.561  -0.714   5.700
  283    HB   THR  40           HB       THR  40   6.406  -0.018   3.161
  284    HG1  THR  40           HG1      THR  40   8.400  -1.728   2.481
  285   HG21  THR  40          HG21      THR  40   8.834   0.475   3.171
  286   HG22  THR  40          HG22      THR  40   9.017  -0.576   4.587
  287   HG23  THR  40          HG23      THR  40   8.047   0.891   4.688
  288    H    LEU  41           HN       LEU  41   4.575   0.448   4.870
  289    HA   LEU  41           HA       LEU  41   2.334  -1.366   4.616
  290    HB2  LEU  41           HB2      LEU  41   2.302   0.833   5.938
  291    HB3  LEU  41           HB1      LEU  41   2.377   1.665   4.406
  292    HG   LEU  41           HG       LEU  41   0.172   0.650   3.797
  293   HD11  LEU  41          HD11      LEU  41   0.117  -0.239   6.696
  294   HD12  LEU  41          HD12      LEU  41   0.238  -1.298   5.298
  295   HD13  LEU  41          HD13      LEU  41  -1.210  -0.329   5.544
  296   HD21  LEU  41          HD21      LEU  41   0.207   2.264   6.338
  297   HD22  LEU  41          HD22      LEU  41  -1.143   2.133   5.205
  298   HD23  LEU  41          HD23      LEU  41   0.359   2.913   4.711
  299    H    MET  42           HN       MET  42   1.388  -1.877   2.730
  300    HA   MET  42           HA       MET  42   2.692  -2.380   0.511
  301    HB2  MET  42           HB2      MET  42   0.463  -3.170   0.949
  302    HB3  MET  42           HB1      MET  42  -0.191  -1.586   0.565
  303    HG2  MET  42           HG2      MET  42  -0.522  -3.157  -1.257
  304    HG3  MET  42           HG1      MET  42   0.531  -1.847  -1.769
  305    HE1  MET  42           HE1      MET  42   2.011  -4.743  -3.809
  306    HE2  MET  42           HE2      MET  42   1.524  -3.048  -3.810
  307    HE3  MET  42           HE3      MET  42   0.324  -4.309  -3.502
  308    H    LEU  43           HN       LEU  43   3.714  -1.519  -1.083
  309    HA   LEU  43           HA       LEU  43   3.099   1.188  -2.120
  310    HB2  LEU  43           HB2      LEU  43   5.746  -0.316  -2.125
  311    HB3  LEU  43           HB1      LEU  43   5.462   1.184  -2.966
  312    HG   LEU  43           HG       LEU  43   6.699   1.773  -1.115
  313   HD11  LEU  43          HD11      LEU  43   3.872   2.302  -0.336
  314   HD12  LEU  43          HD12      LEU  43   4.888   3.242  -1.433
  315   HD13  LEU  43          HD13      LEU  43   5.301   3.138   0.279
  316   HD21  LEU  43          HD21      LEU  43   6.576  -0.286   0.157
  317   HD22  LEU  43          HD22      LEU  43   4.920   0.088   0.632
  318   HD23  LEU  43          HD23      LEU  43   6.252   1.106   1.190
  319    H    ILE  44           HN       ILE  44   2.033   0.897  -3.983
  320    HA   ILE  44           HA       ILE  44   2.267  -1.643  -5.371
  321    HB   ILE  44           HB       ILE  44   0.368   0.650  -5.885
  322   HG12  ILE  44          HG12      ILE  44  -0.073  -1.902  -4.345
  323   HG13  ILE  44          HG11      ILE  44   0.298  -0.366  -3.579
  324   HG21  ILE  44          HG21      ILE  44   0.650  -0.916  -7.792
  325   HG22  ILE  44          HG22      ILE  44  -0.957  -1.014  -7.079
  326   HG23  ILE  44          HG23      ILE  44   0.240  -2.258  -6.719
  327   HD11  ILE  44          HD11      ILE  44  -2.041  -0.841  -3.486
  328   HD12  ILE  44          HD12      ILE  44  -2.039  -1.116  -5.227
  329   HD13  ILE  44          HD13      ILE  44  -1.804   0.521  -4.606
  330    H    GLN  45           HN       GLN  45   3.764  -1.843  -6.803
  331    HA   GLN  45           HA       GLN  45   4.966   0.382  -8.159
  332    HB2  GLN  45           HB2      GLN  45   6.256  -1.571  -7.316
  333    HB3  GLN  45           HB1      GLN  45   5.457  -2.583  -8.505
  334    HG2  GLN  45           HG2      GLN  45   6.475  -1.289 -10.304
  335    HG3  GLN  45           HG1      GLN  45   7.265  -0.254  -9.115
  336   HE21  GLN  45          HE21      GLN  45   9.317  -0.780  -9.785
  337   HE22  GLN  45          HE22      GLN  45  10.035  -2.320  -9.518
  338    H    ASP  46           HN       ASP  46   2.616  -2.122  -9.025
  339    HA   ASP  46           HA       ASP  46   2.010  -0.788 -11.505
  340    HB2  ASP  46           HB2      ASP  46   3.975  -2.185 -12.153
  341    HB3  ASP  46           HB1      ASP  46   3.143  -3.613 -11.565
  342    H    GLN  47           HN       GLN  47   0.203  -2.048 -12.636
  343    HA   GLN  47           HA       GLN  47  -1.926  -2.592 -10.883
  344    HB2  GLN  47           HB2      GLN  47  -1.674  -2.069 -13.548
  345    HB3  GLN  47           HB1      GLN  47  -2.019  -3.785 -13.587
  346    HG2  GLN  47           HG2      GLN  47  -3.757  -1.563 -12.528
  347    HG3  GLN  47           HG1      GLN  47  -4.075  -2.655 -13.864
  348   HE21  GLN  47          HE21      GLN  47  -4.169  -2.177 -10.481
  349   HE22  GLN  47          HE22      GLN  47  -5.038  -3.618 -10.081
  350    H    GLU  48           HN       GLU  48   0.429  -4.678 -12.536
  351    HA   GLU  48           HA       GLU  48  -0.745  -7.159 -12.105
  352    HB2  GLU  48           HB2      GLU  48   1.440  -8.181 -12.442
  353    HB3  GLU  48           HB1      GLU  48   1.193  -6.889 -13.599
  354    HG2  GLU  48           HG2      GLU  48   2.679  -5.451 -12.390
  355    HG3  GLU  48           HG1      GLU  48   2.830  -6.624 -11.080
  356    H    GLU  49           HN       GLU  49   0.941  -5.112  -9.924
  357    HA   GLU  49           HA       GLU  49   1.484  -7.007  -7.904
  358    HB2  GLU  49           HB2      GLU  49   0.939  -4.059  -7.727
  359    HB3  GLU  49           HB1      GLU  49   1.648  -4.955  -6.414
  360    HG2  GLU  49           HG2      GLU  49   2.831  -4.445  -9.157
  361    HG3  GLU  49           HG1      GLU  49   3.321  -3.681  -7.656
  362    H    LEU  50           HN       LEU  50  -1.144  -4.653  -8.357
  363    HA   LEU  50           HA       LEU  50  -2.581  -5.598  -6.121
  364    HB2  LEU  50           HB2      LEU  50  -3.470  -3.820  -8.351
  365    HB3  LEU  50           HB1      LEU  50  -4.556  -4.429  -7.108
  366    HG   LEU  50           HG       LEU  50  -2.127  -2.746  -6.600
  367   HD11  LEU  50          HD11      LEU  50  -5.079  -2.116  -6.534
  368   HD12  LEU  50          HD12      LEU  50  -3.925  -1.500  -7.715
  369   HD13  LEU  50          HD13      LEU  50  -3.812  -1.006  -6.028
  370   HD21  LEU  50          HD21      LEU  50  -3.152  -2.624  -4.297
  371   HD22  LEU  50          HD22      LEU  50  -2.505  -4.190  -4.725
  372   HD23  LEU  50          HD23      LEU  50  -4.244  -3.922  -4.786
  373    H    ARG  51           HN       ARG  51  -2.574  -6.608  -9.392
  374    HA   ARG  51           HA       ARG  51  -5.037  -7.953  -9.168
  375    HB2  ARG  51           HB2      ARG  51  -4.645  -8.807 -11.311
  376    HB3  ARG  51           HB1      ARG  51  -3.695  -7.328 -11.243
  377    HG2  ARG  51           HG2      ARG  51  -1.701  -8.593 -10.868
  378    HG3  ARG  51           HG1      ARG  51  -2.641 -10.091 -10.983
  379    HD2  ARG  51           HD2      ARG  51  -3.420  -9.478 -13.163
  380    HD3  ARG  51           HD1      ARG  51  -2.568  -7.943 -13.016
  381    HE   ARG  51           HE       ARG  51  -0.998 -10.380 -12.838
  382   HH11  ARG  51          HH11      ARG  51  -1.983  -7.610 -14.847
  383   HH12  ARG  51          HH12      ARG  51  -0.815  -7.869 -16.044
  384   HH21  ARG  51          HH21      ARG  51   0.611 -10.747 -14.509
  385   HH22  ARG  51          HH22      ARG  51   0.734  -9.697 -15.827
  386    H    PHE  52           HN       PHE  52  -1.746  -8.772  -8.297
  387    HA   PHE  52           HA       PHE  52  -2.345 -11.467  -7.545
  388    HB2  PHE  52           HB2      PHE  52  -0.014 -10.729  -8.108
  389    HB3  PHE  52           HB1      PHE  52  -0.017  -9.719  -6.669
  390    HD1  PHE  52           HD2      PHE  52  -0.218 -13.220  -7.840
  391    HD2  PHE  52           HD1      PHE  52   0.520 -10.623  -4.556
  392    HE1  PHE  52           HE2      PHE  52   0.566 -15.129  -6.515
  393    HE2  PHE  52           HE1      PHE  52   1.307 -12.531  -3.224
  394    HZ   PHE  52           HZ       PHE  52   1.332 -14.787  -4.201
  395    H    LEU  53           HN       LEU  53  -2.562  -8.315  -6.090
  396    HA   LEU  53           HA       LEU  53  -2.916  -9.239  -3.436
  397    HB2  LEU  53           HB2      LEU  53  -3.648  -6.587  -4.736
  398    HB3  LEU  53           HB1      LEU  53  -4.332  -7.010  -3.229
  399    HG   LEU  53           HG       LEU  53  -2.442  -5.569  -2.864
  400   HD11  LEU  53          HD11      LEU  53  -2.924  -7.216  -1.173
  401   HD12  LEU  53          HD12      LEU  53  -1.200  -6.837  -1.285
  402   HD13  LEU  53          HD13      LEU  53  -1.807  -8.352  -1.947
  403   HD21  LEU  53          HD21      LEU  53  -0.767  -7.696  -4.177
  404   HD22  LEU  53          HD22      LEU  53  -0.158  -6.295  -3.296
  405   HD23  LEU  53          HD23      LEU  53  -1.062  -6.064  -4.787
  406    H    LEU  54           HN       LEU  54  -5.135  -8.474  -6.027
  407    HA   LEU  54           HA       LEU  54  -7.473  -9.072  -4.645
  408    HB2  LEU  54           HB2      LEU  54  -6.940  -9.467  -7.580
  409    HB3  LEU  54           HB1      LEU  54  -8.524  -9.367  -6.839
  410    HG   LEU  54           HG       LEU  54  -6.473  -7.192  -7.138
  411   HD11  LEU  54          HD11      LEU  54  -9.287  -7.444  -8.163
  412   HD12  LEU  54          HD12      LEU  54  -7.801  -7.578  -9.102
  413   HD13  LEU  54          HD13      LEU  54  -8.244  -6.036  -8.371
  414   HD21  LEU  54          HD21      LEU  54  -7.377  -6.952  -4.929
  415   HD22  LEU  54          HD22      LEU  54  -9.030  -7.104  -5.519
  416   HD23  LEU  54          HD23      LEU  54  -8.060  -5.689  -5.952
  417    H    ASP  55           HN       ASP  55  -5.219 -11.206  -6.262
  418    HA   ASP  55           HA       ASP  55  -6.725 -13.573  -6.072
  419    HB2  ASP  55           HB2      ASP  55  -3.736 -13.153  -6.126
  420    HB3  ASP  55           HB1      ASP  55  -4.443 -14.754  -6.028
  421    H    SER  56           HN       SER  56  -4.568 -12.017  -3.779
  422    HA   SER  56           HA       SER  56  -4.823 -14.206  -1.909
  423    HB2  SER  56           HB2      SER  56  -3.202 -12.749  -0.569
  424    HB3  SER  56           HB1      SER  56  -2.633 -13.437  -2.089
  425    HG   SER  56           HG       SER  56  -2.727 -11.478  -3.040
  426    H    ILE  57           HN       ILE  57  -6.144 -11.059  -2.350
  427    HA   ILE  57           HA       ILE  57  -7.044 -10.384   0.191
  428    HB   ILE  57           HB       ILE  57  -8.314  -9.897  -2.507
  429   HG12  ILE  57          HG12      ILE  57  -6.226  -8.749  -2.331
  430   HG13  ILE  57          HG11      ILE  57  -7.512  -7.562  -2.204
  431   HG21  ILE  57          HG21      ILE  57  -9.633  -8.101  -1.474
  432   HG22  ILE  57          HG22      ILE  57  -9.199  -8.775   0.109
  433   HG23  ILE  57          HG23      ILE  57 -10.100  -9.744  -1.059
  434   HD11  ILE  57          HD11      ILE  57  -7.174  -7.498   0.224
  435   HD12  ILE  57          HD12      ILE  57  -5.721  -7.078  -0.683
  436   HD13  ILE  57          HD13      ILE  57  -5.862  -8.669   0.056
  437    H    LYS  58           HN       LYS  58  -8.652 -12.331  -2.243
  438    HA   LYS  58           HA       LYS  58 -10.200 -13.879  -2.244
  439    HB2  LYS  58           HB2      LYS  58  -8.918 -15.099  -0.604
  440    HB3  LYS  58           HB1      LYS  58  -9.612 -14.155   0.707
  441    HG2  LYS  58           HG2      LYS  58 -10.580 -16.424   0.524
  442    HG3  LYS  58           HG1      LYS  58 -11.779 -15.144   0.344
  443    HD2  LYS  58           HD2      LYS  58 -11.642 -15.389  -2.107
  444    HD3  LYS  58           HD1      LYS  58 -10.487 -16.703  -1.896
  445    HE2  LYS  58           HE2      LYS  58 -12.147 -18.029  -0.770
  446    HE3  LYS  58           HE1      LYS  58 -13.291 -16.689  -0.800
  447    HZ1  LYS  58           HZ1      LYS  58 -13.315 -16.813  -3.216
  448    HZ2  LYS  58           HZ2      LYS  58 -13.765 -18.280  -2.543
  449    HZ3  LYS  58           HZ3      LYS  58 -12.224 -18.101  -3.191
  450    H    GLU  59           HN       GLU  59 -10.976 -12.230   0.829
  451    HA   GLU  59           HA       GLU  59 -13.763 -12.569   0.386
  452    HB2  GLU  59           HB2      GLU  59 -12.402 -10.682   2.271
  453    HB3  GLU  59           HB1      GLU  59 -14.133 -10.954   2.223
  454    HG2  GLU  59           HG2      GLU  59 -13.576 -13.391   2.663
  455    HG3  GLU  59           HG1      GLU  59 -11.959 -12.817   3.090
  456    H    LYS  60           HN       LYS  60 -11.604  -9.943  -0.316
  457    HA   LYS  60           HA       LYS  60 -11.729  -8.213  -1.759
  458    HB2  LYS  60           HB2      LYS  60 -14.497  -9.171  -2.522
  459    HB3  LYS  60           HB1      LYS  60 -13.503  -8.035  -3.415
  460    HG2  LYS  60           HG2      LYS  60 -11.916  -9.772  -3.941
  461    HG3  LYS  60           HG1      LYS  60 -12.806 -10.919  -2.935
  462    HD2  LYS  60           HD2      LYS  60 -14.798 -10.507  -4.410
  463    HD3  LYS  60           HD1      LYS  60 -13.725  -9.610  -5.484
  464    HE2  LYS  60           HE2      LYS  60 -13.985 -11.899  -6.258
  465    HE3  LYS  60           HE1      LYS  60 -12.326 -11.598  -5.744
  466    HZ1  LYS  60           HZ1      LYS  60 -14.406 -12.971  -4.122
  467    HZ2  LYS  60           HZ2      LYS  60 -12.809 -12.734  -3.647
  468    HZ3  LYS  60           HZ3      LYS  60 -13.157 -13.738  -4.937
  469    H    TYR  61           HN       TYR  61 -14.878  -8.667  -0.243
  470    HA   TYR  61           HA       TYR  61 -15.652  -5.939  -0.368
  471    HB2  TYR  61           HB2      TYR  61 -16.887  -8.056   1.382
  472    HB3  TYR  61           HB1      TYR  61 -17.654  -6.600   0.747
  473    HD1  TYR  61           HD2      TYR  61 -17.575  -6.421  -1.910
  474    HD2  TYR  61           HD1      TYR  61 -17.256 -10.022   0.303
  475    HE1  TYR  61           HE2      TYR  61 -18.218  -7.705  -3.918
  476    HE2  TYR  61           HE1      TYR  61 -17.880 -11.321  -1.687
  477    HH   TYR  61           HH       TYR  61 -17.924  -9.953  -4.785
  478    H    ASN  62           HN       ASN  62 -13.354  -7.018   1.492
  479    HA   ASN  62           HA       ASN  62 -14.012  -5.598   3.960
  480    HB2  ASN  62           HB2      ASN  62 -11.425  -6.833   2.994
  481    HB3  ASN  62           HB1      ASN  62 -11.529  -5.919   4.476
  482   HD21  ASN  62          HD21      ASN  62 -11.964  -8.918   2.968
  483   HD22  ASN  62          HD22      ASN  62 -12.516  -9.774   4.362
  484    H    SER  63           HN       SER  63 -11.769  -4.205   4.498
  485    HA   SER  63           HA       SER  63 -11.239  -2.429   2.236
  486    HB2  SER  63           HB2      SER  63 -11.916  -1.424   5.017
  487    HB3  SER  63           HB1      SER  63 -11.721  -0.466   3.550
  488    HG   SER  63           HG       SER  63 -13.607  -1.623   2.734
  489    H    PHE  64           HN       PHE  64  -9.032  -2.553   2.079
  490    HA   PHE  64           HA       PHE  64  -7.492  -2.845   4.600
  491    HB2  PHE  64           HB2      PHE  64  -6.435  -3.757   1.949
  492    HB3  PHE  64           HB1      PHE  64  -5.970  -4.249   3.568
  493    HD1  PHE  64           HD2      PHE  64  -7.422  -5.862   4.821
  494    HD2  PHE  64           HD1      PHE  64  -8.099  -4.826   0.766
  495    HE1  PHE  64           HE2      PHE  64  -8.813  -7.854   4.522
  496    HE2  PHE  64           HE1      PHE  64  -9.446  -6.726   0.434
  497    HZ   PHE  64           HZ       PHE  64  -9.850  -8.317   2.332
  498    H    TRP  65           HN       TRP  65  -6.288  -1.116   4.988
  499    HA   TRP  65           HA       TRP  65  -5.858   1.060   3.258
  500    HB2  TRP  65           HB2      TRP  65  -4.141   0.251   5.599
  501    HB3  TRP  65           HB1      TRP  65  -4.233   1.840   4.881
  502    HD1  TRP  65           HD1      TRP  65  -5.270   0.081   7.818
  503    HE1  TRP  65           HE1      TRP  65  -7.237   1.151   8.979
  504    HE3  TRP  65           HE3      TRP  65  -6.849   3.107   4.010
  505    HZ2  TRP  65           HZ2      TRP  65  -9.256   3.055   8.378
  506    HZ3  TRP  65           HZ3      TRP  65  -8.813   4.524   4.397
  507    HH2  TRP  65           HH2      TRP  65  -9.997   4.484   6.553
  508    H    ILE  66           HN       ILE  66  -4.287   1.456   1.785
  509    HA   ILE  66           HA       ILE  66  -1.854  -0.138   2.016
  510    HB   ILE  66           HB       ILE  66  -1.279   0.326  -0.359
  511   HG12  ILE  66          HG12      ILE  66  -2.854   2.337  -0.637
  512   HG13  ILE  66          HG11      ILE  66  -2.737   1.232  -1.993
  513   HG21  ILE  66          HG21      ILE  66  -2.757  -1.300  -1.427
  514   HG22  ILE  66          HG22      ILE  66  -3.810  -1.235  -0.010
  515   HG23  ILE  66          HG23      ILE  66  -2.149  -1.807   0.145
  516   HD11  ILE  66          HD11      ILE  66  -4.980   1.309   0.017
  517   HD12  ILE  66          HD12      ILE  66  -4.872   0.224  -1.371
  518   HD13  ILE  66          HD13      ILE  66  -5.028   1.960  -1.620
  519    H    GLY  67           HN       GLY  67   0.050   1.365   0.809
  520    HA2  GLY  67           HA2      GLY  67   0.172   3.494   2.729
  521    HA3  GLY  67           HA1      GLY  67   1.421   3.048   1.585
  522    H    LEU  68           HN       LEU  68  -1.888   4.242   1.352
  523    HA   LEU  68           HA       LEU  68  -0.940   6.405  -0.377
  524    HB2  LEU  68           HB2      LEU  68  -3.266   4.589  -0.705
  525    HB3  LEU  68           HB1      LEU  68  -3.301   6.199  -1.385
  526    HG   LEU  68           HG       LEU  68  -1.196   4.146  -2.037
  527   HD11  LEU  68          HD11      LEU  68  -3.476   3.463  -2.740
  528   HD12  LEU  68          HD12      LEU  68  -2.421   3.825  -4.097
  529   HD13  LEU  68          HD13      LEU  68  -3.642   4.998  -3.592
  530   HD21  LEU  68          HD21      LEU  68  -0.519   6.498  -2.332
  531   HD22  LEU  68          HD22      LEU  68  -1.965   6.775  -3.301
  532   HD23  LEU  68          HD23      LEU  68  -0.718   5.670  -3.873
  533    H    ARG  69           HN       ARG  69  -1.278   8.264   0.594
  534    HA   ARG  69           HA       ARG  69  -3.923   8.655   1.713
  535    HB2  ARG  69           HB2      ARG  69  -2.987  10.163   3.439
  536    HB3  ARG  69           HB1      ARG  69  -2.530   8.472   3.704
  537    HG2  ARG  69           HG2      ARG  69  -0.313   9.036   2.828
  538    HG3  ARG  69           HG1      ARG  69  -0.855  10.696   2.561
  539    HD2  ARG  69           HD2      ARG  69  -0.650   9.245   5.197
  540    HD3  ARG  69           HD1      ARG  69   0.328  10.613   4.659
  541    HE   ARG  69           HE       ARG  69  -2.140  11.639   4.558
  542   HH11  ARG  69          HH11      ARG  69  -0.490   9.877   7.143
  543   HH12  ARG  69          HH12      ARG  69  -1.356  10.611   8.397
  544   HH21  ARG  69          HH21      ARG  69  -3.372  12.626   6.284
  545   HH22  ARG  69          HH22      ARG  69  -3.053  12.219   7.885
  546    H    TYR  70           HN       TYR  70  -4.848  10.581   1.251
  547    HA   TYR  70           HA       TYR  70  -3.525  12.150  -0.794
  548    HB2  TYR  70           HB2      TYR  70  -5.968  11.458  -0.792
  549    HB3  TYR  70           HB1      TYR  70  -6.189  12.490   0.600
  550    HD1  TYR  70           HD2      TYR  70  -5.327  12.488  -2.995
  551    HD2  TYR  70           HD1      TYR  70  -6.680  14.770   0.292
  552    HE1  TYR  70           HE2      TYR  70  -6.051  14.270  -4.531
  553    HE2  TYR  70           HE1      TYR  70  -7.431  16.539  -1.219
  554    HH   TYR  70           HH       TYR  70  -7.134  17.384  -3.558
  555    H    THR  71           HN       THR  71  -2.142  13.632  -0.042
  556    HA   THR  71           HA       THR  71  -2.257  14.288   2.720
  557    HB   THR  71           HB       THR  71  -0.070  15.533   1.934
  558    HG1  THR  71           HG1      THR  71   0.247  15.187  -0.218
  559   HG21  THR  71          HG21      THR  71  -0.435  12.536   2.063
  560   HG22  THR  71          HG22      THR  71  -0.159  13.595   3.436
  561   HG23  THR  71          HG23      THR  71   1.117  13.357   2.232
  562    H    LEU  72           HN       LEU  72  -3.282  15.998   3.489
  563    HA   LEU  72           HA       LEU  72  -3.262  18.308   1.768
  564    HB2  LEU  72           HB2      LEU  72  -5.462  17.529   3.664
  565    HB3  LEU  72           HB1      LEU  72  -5.362  19.092   2.902
  566    HG   LEU  72           HG       LEU  72  -5.752  16.460   1.470
  567   HD11  LEU  72          HD11      LEU  72  -7.885  17.403   0.847
  568   HD12  LEU  72          HD12      LEU  72  -7.522  18.848   1.791
  569   HD13  LEU  72          HD13      LEU  72  -7.757  17.290   2.612
  570   HD21  LEU  72          HD21      LEU  72  -6.015  17.850  -0.528
  571   HD22  LEU  72          HD22      LEU  72  -4.389  17.911   0.128
  572   HD23  LEU  72          HD23      LEU  72  -5.502  19.258   0.399
  573    HA   PRO  73           HA       PRO  73  -3.403  20.157   1.696
  574    HB2  PRO  73           HB2      PRO  73  -1.903  22.425   1.601
  575    HB3  PRO  73           HB1      PRO  73  -3.454  22.309   2.463
  576    HG2  PRO  73           HG2      PRO  73  -0.746  22.461   3.580
  577    HG3  PRO  73           HG1      PRO  73  -2.303  22.876   4.315
  578    HD2  PRO  73           HD2      PRO  73  -0.788  20.482   4.693
  579    HD3  PRO  73           HD1      PRO  73  -2.374  20.888   5.374
  580    H    ASP  74           HN       ASP  74  -2.435  19.716  -0.279
  581    HA   ASP  74           HA       ASP  74   0.188  19.755  -1.111
  582    HB2  ASP  74           HB2      ASP  74   0.558  18.077   0.763
  583    HB3  ASP  74           HB1      ASP  74  -0.570  17.006  -0.040
  584    H    MET  75           HN       MET  75  -2.727  17.838  -0.900
  585    HA   MET  75           HA       MET  75  -4.277  17.129  -2.215
  586    HB2  MET  75           HB2      MET  75  -3.253  19.221  -4.101
  587    HB3  MET  75           HB1      MET  75  -4.740  18.325  -4.337
  588    HG2  MET  75           HG2      MET  75  -5.332  20.402  -3.422
  589    HG3  MET  75           HG1      MET  75  -5.546  19.231  -2.133
  590    HE1  MET  75           HE1      MET  75  -5.771  21.275  -0.438
  591    HE2  MET  75           HE2      MET  75  -5.536  22.409  -1.767
  592    HE3  MET  75           HE3      MET  75  -4.575  22.563  -0.296
  593    H    ASN  76           HN       ASN  76  -1.534  15.883  -2.532
  594    HA   ASN  76           HA       ASN  76  -2.278  14.415  -4.963
  595    HB2  ASN  76           HB2      ASN  76   0.472  15.088  -3.917
  596    HB3  ASN  76           HB1      ASN  76   0.217  13.728  -4.996
  597   HD21  ASN  76          HD21      ASN  76  -1.810  15.059  -6.611
  598   HD22  ASN  76          HD22      ASN  76  -1.002  16.246  -7.539
  599    H    TRP  77           HN       TRP  77  -1.648  12.130  -4.937
  600    HA   TRP  77           HA       TRP  77  -2.010  11.008  -2.278
  601    HB2  TRP  77           HB2      TRP  77  -2.187   9.803  -5.036
  602    HB3  TRP  77           HB1      TRP  77  -2.214   8.840  -3.565
  603    HD1  TRP  77           HD1      TRP  77  -4.323  11.193  -5.647
  604    HE1  TRP  77           HE1      TRP  77  -6.771  11.044  -4.818
  605    HE3  TRP  77           HE3      TRP  77  -3.597   8.349  -1.509
  606    HZ2  TRP  77           HZ2      TRP  77  -8.180   9.903  -2.683
  607    HZ3  TRP  77           HZ3      TRP  77  -5.541   7.768  -0.108
  608    HH2  TRP  77           HH2      TRP  77  -7.781   8.530  -0.685
  609    H    LYS  78           HN       LYS  78  -0.261  10.634  -1.244
  610    HA   LYS  78           HA       LYS  78   2.089   9.826  -2.772
  611    HB2  LYS  78           HB2      LYS  78   1.906  11.492  -0.276
  612    HB3  LYS  78           HB1      LYS  78   3.414  10.772  -0.843
  613    HG2  LYS  78           HG2      LYS  78   3.258  11.982  -2.912
  614    HG3  LYS  78           HG1      LYS  78   1.693  12.645  -2.448
  615    HD2  LYS  78           HD2      LYS  78   2.709  13.872  -0.631
  616    HD3  LYS  78           HD1      LYS  78   4.281  13.133  -0.977
  617    HE2  LYS  78           HE2      LYS  78   4.335  14.179  -3.147
  618    HE3  LYS  78           HE1      LYS  78   2.721  14.836  -2.902
  619    HZ1  LYS  78           HZ1      LYS  78   3.522  16.275  -1.226
  620    HZ2  LYS  78           HZ2      LYS  78   4.559  16.446  -2.527
  621    HZ3  LYS  78           HZ3      LYS  78   5.035  15.527  -1.181
  622    H    TRP  79           HN       TRP  79   3.389   8.289  -2.008
  623    HA   TRP  79           HA       TRP  79   2.078   6.389  -0.231
  624    HB2  TRP  79           HB2      TRP  79   4.687   5.909  -1.733
  625    HB3  TRP  79           HB1      TRP  79   3.630   4.776  -0.948
  626    HD1  TRP  79           HD1      TRP  79   3.828   6.916  -4.101
  627    HE1  TRP  79           HE1      TRP  79   2.378   5.828  -5.889
  628    HE3  TRP  79           HE3      TRP  79   1.696   3.275  -1.255
  629    HZ2  TRP  79           HZ2      TRP  79   0.526   3.699  -6.071
  630    HZ3  TRP  79           HZ3      TRP  79   0.088   1.757  -2.314
  631    HH2  TRP  79           HH2      TRP  79  -0.481   1.978  -4.673
  632    H    ILE  80           HN       ILE  80   3.613   5.235   1.252
  633    HA   ILE  80           HA       ILE  80   4.764   7.135   3.043
  634    HB   ILE  80           HB       ILE  80   5.367   5.245   4.459
  635   HG12  ILE  80          HG12      ILE  80   4.379   3.451   2.256
  636   HG13  ILE  80          HG11      ILE  80   6.086   3.833   2.484
  637   HG21  ILE  80          HG21      ILE  80   3.132   4.255   4.739
  638   HG22  ILE  80          HG22      ILE  80   2.659   4.889   3.164
  639   HG23  ILE  80          HG23      ILE  80   3.035   5.996   4.482
  640   HD11  ILE  80          HD11      ILE  80   6.010   2.799   4.689
  641   HD12  ILE  80          HD12      ILE  80   5.403   1.658   3.487
  642   HD13  ILE  80          HD13      ILE  80   4.286   2.515   4.529
  643    H    ASN  81           HN       ASN  81   6.043   5.534   0.358
  644    HA   ASN  81           HA       ASN  81   8.785   5.592   1.348
  645    HB2  ASN  81           HB2      ASN  81   9.424   4.500  -0.733
  646    HB3  ASN  81           HB1      ASN  81   8.027   3.668  -0.069
  647   HD21  ASN  81          HD21      ASN  81   8.934   3.633  -2.766
  648   HD22  ASN  81          HD22      ASN  81   7.683   4.305  -3.748
  649    H    GLY  82           HN       GLY  82   6.605   7.566  -0.212
  650    HA2  GLY  82           HA2      GLY  82   7.121   9.941  -0.234
  651    HA3  GLY  82           HA1      GLY  82   8.770   9.523  -0.676
  652    H    SER  83           HN       SER  83   6.888   7.516  -2.343
  653    HA   SER  83           HA       SER  83   7.224   8.906  -4.799
  654    HB2  SER  83           HB2      SER  83   6.054   6.324  -3.939
  655    HB3  SER  83           HB1      SER  83   6.021   6.853  -5.612
  656    HG   SER  83           HG       SER  83   8.352   7.025  -5.425
  657    H    THR  84           HN       THR  84   5.407   9.060  -6.349
  658    HA   THR  84           HA       THR  84   2.949   9.917  -5.038
  659    HB   THR  84           HB       THR  84   3.906  10.551  -7.857
  660    HG1  THR  84           HG1      THR  84   5.060  11.407  -5.792
  661   HG21  THR  84          HG21      THR  84   1.465  10.749  -7.503
  662   HG22  THR  84          HG22      THR  84   2.207  12.329  -7.754
  663   HG23  THR  84          HG23      THR  84   1.759  11.816  -6.130
  664    H    LEU  85           HN       LEU  85   1.105   9.033  -5.635
  665    HA   LEU  85           HA       LEU  85   0.770   6.424  -6.508
  666    HB2  LEU  85           HB2      LEU  85  -0.895   7.532  -5.243
  667    HB3  LEU  85           HB1      LEU  85  -1.102   8.743  -6.490
  668    HG   LEU  85           HG       LEU  85  -1.937   6.923  -7.998
  669   HD11  LEU  85          HD11      LEU  85  -2.730   4.869  -7.052
  670   HD12  LEU  85          HD12      LEU  85  -2.131   5.353  -5.467
  671   HD13  LEU  85          HD13      LEU  85  -0.992   5.038  -6.781
  672   HD21  LEU  85          HD21      LEU  85  -3.507   7.484  -5.498
  673   HD22  LEU  85          HD22      LEU  85  -4.166   6.908  -7.033
  674   HD23  LEU  85          HD23      LEU  85  -3.423   8.501  -6.936
  675    H    ASN  86           HN       ASN  86   0.532   5.443  -8.438
  676    HA   ASN  86           HA       ASN  86   0.111   7.027 -10.856
  677    HB2  ASN  86           HB2      ASN  86   1.700   5.086 -10.979
  678    HB3  ASN  86           HB1      ASN  86   0.390   4.028 -10.494
  679   HD21  ASN  86          HD21      ASN  86   0.719   2.834 -12.406
  680   HD22  ASN  86          HD22      ASN  86   0.145   3.390 -13.929
  681    H    SER  87           HN       SER  87  -1.977   7.729 -10.792
  682    HA   SER  87           HA       SER  87  -4.059   6.249  -9.583
  683    HB2  SER  87           HB2      SER  87  -5.455   8.091 -10.667
  684    HB3  SER  87           HB1      SER  87  -4.218   8.593  -9.511
  685    HG   SER  87           HG       SER  87  -4.290   8.879 -12.295
  686    H    ASP  88           HN       ASP  88  -2.596   5.867 -12.541
  687    HA   ASP  88           HA       ASP  88  -4.958   5.241 -13.992
  688    HB2  ASP  88           HB2      ASP  88  -2.081   5.017 -14.773
  689    HB3  ASP  88           HB1      ASP  88  -3.398   4.464 -15.808
  690    H    VAL  89           HN       VAL  89  -3.365   3.427 -11.698
  691    HA   VAL  89           HA       VAL  89  -3.700   0.973 -13.083
  692    HB   VAL  89           HB       VAL  89  -3.315  -0.175 -10.912
  693   HG11  VAL  89          HG11      VAL  89  -0.983   0.562 -10.601
  694   HG12  VAL  89          HG12      VAL  89  -1.328   1.999 -11.564
  695   HG13  VAL  89          HG13      VAL  89  -1.418   0.400 -12.301
  696   HG21  VAL  89          HG21      VAL  89  -3.079   2.614  -9.754
  697   HG22  VAL  89          HG22      VAL  89  -2.638   1.115  -8.926
  698   HG23  VAL  89          HG23      VAL  89  -4.316   1.410  -9.371
  699    H    LEU  90           HN       LEU  90  -5.640   2.672 -10.633
  700    HA   LEU  90           HA       LEU  90  -8.017   1.311 -11.504
  701    HB2  LEU  90           HB2      LEU  90  -6.987   1.056  -8.674
  702    HB3  LEU  90           HB1      LEU  90  -8.605   0.614  -9.177
  703    HG   LEU  90           HG       LEU  90  -6.078  -0.675 -10.163
  704   HD11  LEU  90          HD11      LEU  90  -6.462  -1.113  -7.780
  705   HD12  LEU  90          HD12      LEU  90  -6.722  -2.572  -8.732
  706   HD13  LEU  90          HD13      LEU  90  -8.107  -1.654  -8.128
  707   HD21  LEU  90          HD21      LEU  90  -7.600  -2.435 -10.984
  708   HD22  LEU  90          HD22      LEU  90  -7.870  -0.874 -11.751
  709   HD23  LEU  90          HD23      LEU  90  -8.981  -1.445 -10.498
  710    H    LYS  91           HN       LYS  91  -9.836   2.180  -9.927
  711    HA   LYS  91           HA       LYS  91  -9.794   4.954 -10.204
  712    HB2  LYS  91           HB2      LYS  91 -11.816   4.968  -8.792
  713    HB3  LYS  91           HB1      LYS  91 -11.935   4.072 -10.313
  714    HG2  LYS  91           HG2      LYS  91 -12.024   2.027  -9.168
  715    HG3  LYS  91           HG1      LYS  91 -11.262   2.704  -7.731
  716    HD2  LYS  91           HD2      LYS  91 -13.566   2.273  -7.227
  717    HD3  LYS  91           HD1      LYS  91 -13.314   4.009  -7.319
  718    HE2  LYS  91           HE2      LYS  91 -14.477   2.367  -9.573
  719    HE3  LYS  91           HE1      LYS  91 -15.452   3.134  -8.333
  720    HZ1  LYS  91           HZ1      LYS  91 -15.443   4.550 -10.199
  721    HZ2  LYS  91           HZ2      LYS  91 -13.803   4.457 -10.422
  722    HZ3  LYS  91           HZ3      LYS  91 -14.427   5.308  -9.097
  723    H    ILE  92           HN       ILE  92  -8.564   6.226  -9.162
  724    HA   ILE  92           HA       ILE  92  -9.119   6.508  -6.339
  725    HB   ILE  92           HB       ILE  92  -6.273   6.797  -7.372
  726   HG12  ILE  92          HG12      ILE  92  -7.588   4.441  -6.023
  727   HG13  ILE  92          HG11      ILE  92  -6.750   4.475  -7.545
  728   HG21  ILE  92          HG21      ILE  92  -7.450   6.675  -4.587
  729   HG22  ILE  92          HG22      ILE  92  -6.872   8.124  -5.405
  730   HG23  ILE  92          HG23      ILE  92  -5.736   6.850  -4.960
  731   HD11  ILE  92          HD11      ILE  92  -5.434   4.864  -4.884
  732   HD12  ILE  92          HD12      ILE  92  -4.629   4.893  -6.454
  733   HD13  ILE  92          HD13      ILE  92  -5.358   3.398  -5.867
  734    H    THR  93           HN       THR  93 -10.106   8.435  -6.550
  735    HA   THR  93           HA       THR  93  -9.697  10.288  -8.589
  736    HB   THR  93           HB       THR  93 -10.751  10.903  -5.845
  737    HG1  THR  93           HG1      THR  93 -12.711  10.284  -7.544
  738   HG21  THR  93          HG21      THR  93 -12.187  12.459  -7.070
  739   HG22  THR  93          HG22      THR  93 -11.482  11.909  -8.593
  740   HG23  THR  93          HG23      THR  93 -10.483  12.767  -7.425
  741    H    GLY  94           HN       GLY  94  -8.076  11.807  -8.817
  742    HA2  GLY  94           HA2      GLY  94  -6.136  11.912  -6.706
  743    HA3  GLY  94           HA1      GLY  94  -5.915  12.450  -8.384
  744    H    ASP  95           HN       ASP  95  -8.626  13.731  -8.094
  745    HA   ASP  95           HA       ASP  95  -7.739  15.886  -6.422
  746    HB2  ASP  95           HB2      ASP  95  -7.600  16.593  -8.628
  747    HB3  ASP  95           HB1      ASP  95  -9.277  16.152  -9.023
  748    H    THR  96           HN       THR  96  -8.889  15.806  -4.780
  749    HA   THR  96           HA       THR  96 -11.788  15.358  -4.978
  750    HB   THR  96           HB       THR  96 -10.873  13.089  -4.707
  751    HG1  THR  96           HG1      THR  96 -12.866  13.795  -3.721
  752   HG21  THR  96          HG21      THR  96  -9.818  12.400  -2.576
  753   HG22  THR  96          HG22      THR  96  -9.811  14.083  -2.047
  754   HG23  THR  96          HG23      THR  96  -8.839  13.595  -3.427
  755    H    GLU  97           HN       GLU  97  -9.114  16.549  -3.139
  756    HA   GLU  97           HA       GLU  97  -8.888  17.933  -1.446
  757    HB2  GLU  97           HB2      GLU  97 -11.680  18.770  -2.203
  758    HB3  GLU  97           HB1      GLU  97 -10.643  19.659  -1.094
  759    HG2  GLU  97           HG2      GLU  97 -10.174  19.131  -4.008
  760    HG3  GLU  97           HG1      GLU  97 -10.453  20.687  -3.221
  761    H    ASN  98           HN       ASN  98  -9.833  15.286  -0.783
  762    HA   ASN  98           HA       ASN  98 -10.865  15.953   1.878
  763    HB2  ASN  98           HB2      ASN  98 -11.316  13.314   0.478
  764    HB3  ASN  98           HB1      ASN  98 -11.847  13.726   2.073
  765   HD21  ASN  98          HD21      ASN  98 -12.597  14.123  -1.326
  766   HD22  ASN  98          HD22      ASN  98 -14.106  14.890  -1.055
  767    H    ASP  99           HN       ASP  99  -9.968  14.827   3.527
  768    HA   ASP  99           HA       ASP  99  -7.094  14.336   3.173
  769    HB2  ASP  99           HB2      ASP  99  -8.101  15.843   4.948
  770    HB3  ASP  99           HB1      ASP  99  -8.722  14.405   5.736
  771    H    SER 100           HN       SER 100  -8.943  12.414   2.259
  772    HA   SER 100           HA       SER 100  -9.320  10.189   4.000
  773    HB2  SER 100           HB2      SER 100 -10.913  10.887   2.267
  774    HB3  SER 100           HB1      SER 100  -9.712  10.549   1.027
  775    HG   SER 100           HG       SER 100 -10.542   8.556   2.837
  776    H    CYS 101           HN       CYS 101  -8.528   8.030   3.577
  777    HA   CYS 101           HA       CYS 101  -5.922   7.882   2.241
  778    HB2  CYS 101           HB2      CYS 101  -6.929   6.391   4.688
  779    HB3  CYS 101           HB1      CYS 101  -5.425   6.022   3.857
  780    H    ALA 102           HN       ALA 102  -5.582   5.992   0.973
  781    HA   ALA 102           HA       ALA 102  -8.116   4.954   0.015
  782    HB1  ALA 102           HB1      ALA 102  -6.565   5.930  -1.633
  783    HB2  ALA 102           HB2      ALA 102  -6.966   4.269  -1.993
  784    HB3  ALA 102           HB3      ALA 102  -5.399   4.654  -1.275
  785    H    ALA 103           HN       ALA 103  -8.670   2.842  -0.181
  786    HA   ALA 103           HA       ALA 103  -6.961   0.829   1.048
  787    HB1  ALA 103           HB1      ALA 103  -8.851   0.038   2.395
  788    HB2  ALA 103           HB2      ALA 103  -9.832   1.381   1.813
  789    HB3  ALA 103           HB3      ALA 103  -8.418   1.694   2.821
  790    H    ILE 104           HN       ILE 104  -7.459  -1.236   0.365
  791    HA   ILE 104           HA       ILE 104  -8.821  -1.631  -2.204
  792    HB   ILE 104           HB       ILE 104  -7.478  -3.428  -0.196
  793   HG12  ILE 104          HG12      ILE 104  -6.006  -1.995  -1.617
  794   HG13  ILE 104          HG11      ILE 104  -5.683  -3.718  -1.748
  795   HG21  ILE 104          HG21      ILE 104  -7.696  -5.323  -1.815
  796   HG22  ILE 104          HG22      ILE 104  -8.713  -4.306  -2.832
  797   HG23  ILE 104          HG23      ILE 104  -9.255  -4.763  -1.221
  798   HD11  ILE 104          HD11      ILE 104  -7.257  -2.079  -3.718
  799   HD12  ILE 104          HD12      ILE 104  -6.875  -3.815  -3.808
  800   HD13  ILE 104          HD13      ILE 104  -5.576  -2.627  -3.897
  801    H    SER 105           HN       SER 105 -10.874  -1.863  -2.389
  802    HA   SER 105           HA       SER 105 -12.202  -3.521  -0.468
  803    HB2  SER 105           HB2      SER 105 -12.500  -1.110   0.294
  804    HB3  SER 105           HB1      SER 105 -13.403  -0.842  -1.199
  805    HG   SER 105           HG       SER 105 -13.974  -2.854   0.683
  806    H    GLY 106           HN       GLY 106 -12.468  -4.987  -1.875
  807    HA2  GLY 106           HA2      GLY 106 -14.077  -6.015  -3.297
  808    HA3  GLY 106           HA1      GLY 106 -14.318  -4.458  -4.084
  809    H    ASP 107           HN       ASP 107 -13.561  -4.393  -5.979
  810    HA   ASP 107           HA       ASP 107 -11.045  -5.780  -6.678
  811    HB2  ASP 107           HB2      ASP 107 -11.914  -5.692  -9.023
  812    HB3  ASP 107           HB1      ASP 107 -12.920  -6.690  -7.964
  813    H    LYS 108           HN       LYS 108 -11.938  -2.992  -5.630
  814    HA   LYS 108           HA       LYS 108 -10.278  -1.476  -7.499
  815    HB2  LYS 108           HB2      LYS 108 -12.913  -0.523  -6.372
  816    HB3  LYS 108           HB1      LYS 108 -11.792   0.443  -7.307
  817    HG2  LYS 108           HG2      LYS 108 -13.370  -1.930  -8.252
  818    HG3  LYS 108           HG1      LYS 108 -13.625  -0.222  -8.634
  819    HD2  LYS 108           HD2      LYS 108 -11.416  -0.156  -9.762
  820    HD3  LYS 108           HD1      LYS 108 -11.190  -1.856  -9.341
  821    HE2  LYS 108           HE2      LYS 108 -13.033  -2.516 -10.698
  822    HE3  LYS 108           HE1      LYS 108 -13.424  -0.838 -11.091
  823    HZ1  LYS 108           HZ1      LYS 108 -12.241  -1.878 -12.894
  824    HZ2  LYS 108           HZ2      LYS 108 -10.991  -2.354 -11.898
  825    HZ3  LYS 108           HZ3      LYS 108 -11.221  -0.716 -12.228
  826    H    VAL 109           HN       VAL 109  -9.869   0.734  -6.499
  827    HA   VAL 109           HA       VAL 109  -9.173   0.387  -3.693
  828    HB   VAL 109           HB       VAL 109  -8.386   2.698  -5.410
  829   HG11  VAL 109          HG11      VAL 109  -7.003   1.341  -3.117
  830   HG12  VAL 109          HG12      VAL 109  -7.947   2.826  -3.061
  831   HG13  VAL 109          HG13      VAL 109  -6.426   2.784  -3.959
  832   HG21  VAL 109          HG21      VAL 109  -7.771   0.859  -6.778
  833   HG22  VAL 109          HG22      VAL 109  -6.941   0.044  -5.444
  834   HG23  VAL 109          HG23      VAL 109  -6.306   1.561  -6.110
  835    H    THR 110           HN       THR 110 -10.289   1.602  -2.305
  836    HA   THR 110           HA       THR 110 -11.922   3.788  -3.352
  837    HB   THR 110           HB       THR 110 -13.769   3.055  -1.842
  838    HG1  THR 110           HG1      THR 110 -11.798   1.648  -0.779
  839   HG21  THR 110          HG21      THR 110 -14.464   0.993  -3.020
  840   HG22  THR 110          HG22      THR 110 -12.812   0.724  -3.552
  841   HG23  THR 110          HG23      THR 110 -13.710   2.083  -4.188
  842    H    PHE 111           HN       PHE 111 -11.982   5.544  -1.864
  843    HA   PHE 111           HA       PHE 111 -10.054   5.209   0.271
  844    HB2  PHE 111           HB2      PHE 111 -10.024   7.826   0.199
  845    HB3  PHE 111           HB1      PHE 111  -9.140   6.886  -0.994
  846    HD1  PHE 111           HD1      PHE 111 -12.200   8.855  -0.413
  847    HD2  PHE 111           HD2      PHE 111  -9.659   7.001  -3.269
  848    HE1  PHE 111           HE1      PHE 111 -13.396   9.997  -2.214
  849    HE2  PHE 111           HE2      PHE 111 -10.833   8.130  -5.068
  850    HZ   PHE 111           HZ       PHE 111 -12.719   9.649  -4.559
  851    H    GLU 112           HN       GLU 112 -10.335   5.671   2.264
  852    HA   GLU 112           HA       GLU 112 -13.108   6.087   3.219
  853    HB2  GLU 112           HB2      GLU 112 -10.922   4.373   4.445
  854    HB3  GLU 112           HB1      GLU 112 -12.557   4.547   5.013
  855    HG2  GLU 112           HG2      GLU 112 -12.050   3.410   2.295
  856    HG3  GLU 112           HG1      GLU 112 -11.867   2.409   3.732
  857    H    SER 113           HN       SER 113 -13.059   7.020   5.442
  858    HA   SER 113           HA       SER 113 -11.133   9.027   5.979
  859    HB2  SER 113           HB2      SER 113 -13.009   7.570   7.854
  860    HB3  SER 113           HB1      SER 113 -12.265   9.147   8.130
  861    HG   SER 113           HG       SER 113 -13.425   9.381   5.840
  862    H    CYS 114           HN       CYS 114  -9.156   8.806   6.974
  863    HA   CYS 114           HA       CYS 114  -7.930   6.255   7.175
  864    HB2  CYS 114           HB2      CYS 114  -6.963   8.748   8.578
  865    HB3  CYS 114           HB1      CYS 114  -6.012   7.433   7.903
  866    H    ASN 115           HN       ASN 115  -9.843   7.959   9.364
  867    HA   ASN 115           HA       ASN 115  -9.029   6.508  11.752
  868    HB2  ASN 115           HB2      ASN 115 -10.588   7.949  12.917
  869    HB3  ASN 115           HB1      ASN 115  -9.577   8.921  11.853
  870   HD21  ASN 115          HD21      ASN 115 -10.547   9.928  10.025
  871   HD22  ASN 115          HD22      ASN 115 -12.240  10.053   9.850
  872    H    SER 116           HN       SER 116 -10.949   5.522   9.198
  873    HA   SER 116           HA       SER 116 -13.379   4.932  10.576
  874    HB2  SER 116           HB2      SER 116 -13.930   3.629   8.465
  875    HB3  SER 116           HB1      SER 116 -13.560   5.344   8.235
  876    HG   SER 116           HG       SER 116 -11.749   4.831   7.283
  877    H    ASP 117           HN       ASP 117 -10.537   3.503  10.724
  878    HA   ASP 117           HA       ASP 117  -9.658   1.561  11.578
  879    HB2  ASP 117           HB2      ASP 117 -11.403   2.061  13.392
  880    HB3  ASP 117           HB1      ASP 117 -12.418   0.874  12.580
  881    H    ASN 118           HN       ASN 118  -9.176   0.634   9.692
  882    HA   ASN 118           HA       ASN 118 -11.015  -1.433   8.720
  883    HB2  ASN 118           HB2      ASN 118  -9.440   0.520   7.028
  884    HB3  ASN 118           HB1      ASN 118 -10.112  -0.973   6.393
  885   HD21  ASN 118          HD21      ASN 118 -10.672   1.747   5.628
  886   HD22  ASN 118          HD22      ASN 118 -12.354   2.007   5.894
  887    H    ARG 119           HN       ARG 119  -9.615  -2.809   7.092
  888    HA   ARG 119           HA       ARG 119  -7.455  -3.800   8.781
  889    HB2  ARG 119           HB2      ARG 119  -8.429  -4.927   6.126
  890    HB3  ARG 119           HB1      ARG 119  -7.423  -5.716   7.295
  891    HG2  ARG 119           HG2      ARG 119  -9.550  -6.767   7.339
  892    HG3  ARG 119           HG1      ARG 119  -9.418  -5.819   8.818
  893    HD2  ARG 119           HD2      ARG 119 -10.871  -4.188   8.010
  894    HD3  ARG 119           HD1      ARG 119 -10.725  -4.735   6.357
  895    HE   ARG 119           HE       ARG 119 -12.025  -6.695   6.924
  896   HH11  ARG 119          HH11      ARG 119 -12.176  -4.275   9.526
  897   HH12  ARG 119          HH12      ARG 119 -13.798  -4.594   9.881
  898   HH21  ARG 119          HH21      ARG 119 -14.234  -7.102   7.399
  899   HH22  ARG 119          HH22      ARG 119 -15.002  -6.240   8.647
  900    H    TRP 120           HN       TRP 120  -5.547  -4.729   6.945
  901    HA   TRP 120           HA       TRP 120  -5.035  -2.602   5.081
  902    HB2  TRP 120           HB2      TRP 120  -3.023  -1.691   6.063
  903    HB3  TRP 120           HB1      TRP 120  -4.333  -1.556   7.227
  904    HD1  TRP 120           HD1      TRP 120  -0.939  -3.028   6.724
  905    HE1  TRP 120           HE1      TRP 120  -0.155  -4.189   8.831
  906    HE3  TRP 120           HE3      TRP 120  -5.313  -2.925   9.322
  907    HZ2  TRP 120           HZ2      TRP 120  -1.254  -4.996  11.309
  908    HZ3  TRP 120           HZ3      TRP 120  -5.354  -3.916  11.565
  909    HH2  TRP 120           HH2      TRP 120  -3.362  -4.929  12.531
  910    H    ILE 121           HN       ILE 121  -2.750  -2.807   4.149
  911    HA   ILE 121           HA       ILE 121  -1.989  -5.638   4.003
  912    HB   ILE 121           HB       ILE 121  -2.102  -3.654   1.713
  913   HG12  ILE 121          HG12      ILE 121  -3.581  -6.253   2.013
  914   HG13  ILE 121          HG11      ILE 121  -4.277  -4.723   2.516
  915   HG21  ILE 121          HG21      ILE 121  -1.357  -5.503   0.298
  916   HG22  ILE 121          HG22      ILE 121  -1.233  -6.553   1.709
  917   HG23  ILE 121          HG23      ILE 121  -0.154  -5.170   1.547
  918   HD11  ILE 121          HD11      ILE 121  -5.052  -5.379   0.311
  919   HD12  ILE 121          HD12      ILE 121  -3.376  -5.454  -0.260
  920   HD13  ILE 121          HD13      ILE 121  -4.078  -3.911   0.218
  921    H    CYS 122           HN       CYS 122  -0.031  -5.914   4.580
  922    HA   CYS 122           HA       CYS 122   1.952  -3.717   4.536
  923    HB2  CYS 122           HB2      CYS 122   2.059  -6.442   5.842
  924    HB3  CYS 122           HB1      CYS 122   3.326  -5.231   5.905
  925    H    GLN 123           HN       GLN 123   3.810  -3.915   3.317
  926    HA   GLN 123           HA       GLN 123   4.040  -6.422   1.855
  927    HB2  GLN 123           HB2      GLN 123   4.829  -5.347  -0.087
  928    HB3  GLN 123           HB1      GLN 123   3.448  -4.378   0.391
  929    HG2  GLN 123           HG2      GLN 123   4.832  -2.646   1.215
  930    HG3  GLN 123           HG1      GLN 123   6.245  -3.703   1.170
  931   HE21  GLN 123          HE21      GLN 123   7.420  -2.378  -0.103
  932   HE22  GLN 123          HE22      GLN 123   7.082  -2.126  -1.779
  933    H    LYS 124           HN       LYS 124   6.187  -7.015   1.506
  934    HA   LYS 124           HA       LYS 124   8.165  -5.576   3.140
  935    HB2  LYS 124           HB2      LYS 124   7.367  -7.593   4.376
  936    HB3  LYS 124           HB1      LYS 124   7.867  -8.580   3.010
  937    HG2  LYS 124           HG2      LYS 124  10.192  -7.716   3.352
  938    HG3  LYS 124           HG1      LYS 124   9.617  -7.015   4.867
  939    HD2  LYS 124           HD2      LYS 124   9.362  -9.946   4.180
  940    HD3  LYS 124           HD1      LYS 124  10.697  -9.196   5.080
  941    HE2  LYS 124           HE2      LYS 124   7.868  -8.909   5.985
  942    HE3  LYS 124           HE1      LYS 124   8.844 -10.329   6.384
  943    HZ1  LYS 124           HZ1      LYS 124   9.643  -7.500   7.006
  944    HZ2  LYS 124           HZ2      LYS 124  10.477  -8.891   7.381
  945    HZ3  LYS 124           HZ3      LYS 124   9.032  -8.605   8.135
  946    H    GLU 125           HN       GLU 125   9.583  -4.881   1.684
  947    HA   GLU 125           HA       GLU 125   9.717  -6.233  -0.813
  948    HB2  GLU 125           HB2      GLU 125  11.395  -4.490  -1.443
  949    HB3  GLU 125           HB1      GLU 125   9.820  -3.872  -0.986
  950    HG2  GLU 125           HG2      GLU 125  12.128  -3.964   0.929
  951    HG3  GLU 125           HG1      GLU 125  11.861  -2.629  -0.194
  952    H    LEU 126           HN       LEU 126  10.837  -7.802  -1.294
  953    HA   LEU 126           HA       LEU 126  12.912  -8.855   0.336
  954    HB2  LEU 126           HB2      LEU 126  12.013  -9.567  -2.468
  955    HB3  LEU 126           HB1      LEU 126  13.266 -10.450  -1.655
  956    HG   LEU 126           HG       LEU 126  11.496 -11.818  -1.364
  957   HD11  LEU 126          HD11      LEU 126  12.452 -11.392   0.784
  958   HD12  LEU 126          HD12      LEU 126  10.696 -11.714   0.856
  959   HD13  LEU 126          HD13      LEU 126  11.288 -10.061   0.992
  960   HD21  LEU 126          HD21      LEU 126   9.778 -10.359  -2.325
  961   HD22  LEU 126          HD22      LEU 126   9.681  -9.516  -0.777
  962   HD23  LEU 126          HD23      LEU 126   9.259 -11.224  -0.882
  963    H    TYR 127           HN       TYR 127  12.760  -7.030  -2.665
  964    HA   TYR 127           HA       TYR 127  15.236  -5.918  -1.982
  965    HB2  TYR 127           HB2      TYR 127  16.490  -6.384  -4.079
  966    HB3  TYR 127           HB1      TYR 127  16.180  -7.823  -3.136
  967    HD1  TYR 127           HD2      TYR 127  14.361  -9.379  -3.937
  968    HD2  TYR 127           HD1      TYR 127  15.836  -6.222  -6.340
  969    HE1  TYR 127           HE2      TYR 127  13.507 -10.511  -5.932
  970    HE2  TYR 127           HE1      TYR 127  14.951  -7.331  -8.355
  971    HH   TYR 127           HH       TYR 127  12.721  -9.788  -8.175
  972    H    HIS 128           HN       HIS 128  14.282  -3.913  -1.966
  973    HA   HIS 128           HA       HIS 128  12.954  -3.045  -4.379
  974    HB2  HIS 128           HB2      HIS 128  12.802  -0.748  -3.339
  975    HB3  HIS 128           HB1      HIS 128  12.053  -2.002  -2.384
  976    HD1  HIS 128           HD1      HIS 128  12.193  -0.749  -0.175
  977    HD2  HIS 128           HD2      HIS 128  15.900  -1.113  -2.023
  978    HE1  HIS 128           HE1      HIS 128  13.854  -0.008   1.517
  979    HE2  HIS 128           HE2      HIS 128  16.016   0.070   0.283
  980    H    GLU 129           HN       GLU 129  13.661  -1.323  -5.769
  981    HA   GLU 129           HA       GLU 129  15.133  -0.350  -7.148
  982    HB2  GLU 129           HB2      GLU 129  17.128  -0.792  -4.904
  983    HB3  GLU 129           HB1      GLU 129  17.536   0.024  -6.400
  984    HG2  GLU 129           HG2      GLU 129  15.467   0.923  -4.414
  985    HG3  GLU 129           HG1      GLU 129  17.102   1.570  -4.557
  986    H    THR 130           HN       THR 130  17.603  -0.984  -8.038
  987    HA   THR 130           HA       THR 130  17.774  -3.851  -8.129
  988    HB   THR 130           HB       THR 130  17.677  -2.099 -10.622
  989    HG1  THR 130           HG1      THR 130  15.776  -3.307  -9.152
  990   HG21  THR 130          HG21      THR 130  17.746  -4.262 -11.832
  991   HG22  THR 130          HG22      THR 130  17.909  -5.095 -10.279
  992   HG23  THR 130          HG23      THR 130  19.188  -4.029 -10.839
  993    H    LEU 131           HN       LEU 131  19.851  -4.508  -8.114
  994    HA   LEU 131           HA       LEU 131  21.688  -2.536  -7.196
  995    HB2  LEU 131           HB2      LEU 131  22.097  -5.501  -7.606
  996    HB3  LEU 131           HB1      LEU 131  23.185  -4.431  -6.761
  997    HG   LEU 131           HG       LEU 131  22.069  -5.639  -5.099
  998   HD11  LEU 131          HD11      LEU 131  20.787  -4.011  -3.833
  999   HD12  LEU 131          HD12      LEU 131  20.702  -2.979  -5.259
 1000   HD13  LEU 131          HD13      LEU 131  22.264  -3.337  -4.520
 1001   HD21  LEU 131          HD21      LEU 131  19.435  -5.012  -6.448
 1002   HD22  LEU 131          HD22      LEU 131  19.607  -5.850  -4.906
 1003   HD23  LEU 131          HD23      LEU 131  20.231  -6.582  -6.386
 1004    H    SER 132           HN       SER 132  21.503  -4.658  -9.989
 1005    HA   SER 132           HA       SER 132  23.858  -3.339 -11.046
 1006    HB2  SER 132           HB2      SER 132  23.638  -5.863 -11.149
 1007    HB3  SER 132           HB1      SER 132  22.290  -5.633 -12.261
 1008    HG   SER 132           HG       SER 132  24.976  -4.807 -12.615
 1009    H    ASN 133           HN       ASN 133  23.723  -2.009 -12.873
 1010    HA   ASN 133           HA       ASN 133  20.974  -1.481 -13.719
 1011    HB2  ASN 133           HB2      ASN 133  23.192   0.552 -13.397
 1012    HB3  ASN 133           HB1      ASN 133  21.659   0.879 -14.190
 1013   HD21  ASN 133          HD21      ASN 133  23.261   0.301 -11.180
 1014   HD22  ASN 133          HD22      ASN 133  21.976   0.769 -10.147
 1015    H    TYR 134           HN       TYR 134  23.871  -0.171 -15.172
 1016    HA   TYR 134           HA       TYR 134  23.381  -1.781 -17.516
 1017    HB2  TYR 134           HB2      TYR 134  23.113   1.226 -17.551
 1018    HB3  TYR 134           HB1      TYR 134  23.147   0.203 -18.990
 1019    HD1  TYR 134           HD1      TYR 134  21.216  -1.496 -19.227
 1020    HD2  TYR 134           HD2      TYR 134  21.136   1.741 -16.471
 1021    HE1  TYR 134           HE1      TYR 134  18.770  -1.706 -19.053
 1022    HE2  TYR 134           HE2      TYR 134  18.700   1.540 -16.288
 1023    HH   TYR 134           HH       TYR 134  16.993  -1.138 -17.399
 1024    H    VAL 135           HN       VAL 135  25.241  -2.172 -18.478
 1025    HA   VAL 135           HA       VAL 135  27.601  -0.542 -17.819
 1026    HB   VAL 135           HB       VAL 135  27.531  -3.261 -19.190
 1027   HG11  VAL 135          HG11      VAL 135  29.782  -1.846 -17.773
 1028   HG12  VAL 135          HG12      VAL 135  29.603  -2.024 -19.514
 1029   HG13  VAL 135          HG13      VAL 135  29.874  -3.448 -18.505
 1030   HG21  VAL 135          HG21      VAL 135  27.900  -2.724 -16.241
 1031   HG22  VAL 135          HG22      VAL 135  28.097  -4.290 -17.026
 1032   HG23  VAL 135          HG23      VAL 135  26.514  -3.513 -16.990
 1033    H    GLY 136           HN       GLY 136  25.232  -1.045 -20.054
 1034    HA2  GLY 136           HA2      GLY 136  24.946   0.305 -21.964
 1035    HA3  GLY 136           HA1      GLY 136  26.701   0.401 -22.131
 1036    H    TYR 137           HN       TYR 137  27.606  -0.861 -23.552
 1037    HA   TYR 137           HA       TYR 137  26.160  -3.273 -24.408
 1038    HB2  TYR 137           HB2      TYR 137  28.294  -1.691 -25.874
 1039    HB3  TYR 137           HB1      TYR 137  27.483  -3.125 -26.485
 1040    HD1  TYR 137           HD1      TYR 137  24.945  -2.966 -26.856
 1041    HD2  TYR 137           HD2      TYR 137  27.432   0.428 -26.279
 1042    HE1  TYR 137           HE1      TYR 137  23.236  -1.539 -27.898
 1043    HE2  TYR 137           HE2      TYR 137  25.737   1.858 -27.317
 1044    HH   TYR 137           HH       TYR 137  23.893   1.726 -28.785
 1045    H    GLY 138           HN       GLY 138  28.273  -2.377 -22.277
 1046    HA2  GLY 138           HA2      GLY 138  29.908  -3.557 -21.114
 1047    HA3  GLY 138           HA1      GLY 138  29.769  -4.827 -22.337
 1048    H    HIS 139           HN       HIS 139  31.126  -1.648 -21.717
 1049    HA   HIS 139           HA       HIS 139  32.800  -1.969 -24.087
 1050    HB2  HIS 139           HB2      HIS 139  31.437   0.133 -23.740
 1051    HB3  HIS 139           HB1      HIS 139  32.434   0.481 -22.339
 1052    HD1  HIS 139           HD1      HIS 139  32.459   0.406 -26.026
 1053    HD2  HIS 139           HD2      HIS 139  34.984   1.505 -22.944
 1054    HE1  HIS 139           HE1      HIS 139  34.330   1.686 -27.122
 1055    HE2  HIS 139           HE2      HIS 139  35.557   2.664 -25.167
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1  16.056 -10.232  -6.661
    2    H2   SER   1           HT2      SER   1  14.416 -10.245  -7.144
    3    H3   SER   1           HT3      SER   1  15.476  -9.034  -7.683
    4    HA   SER   1           HA       SER   1  15.036 -10.669  -9.374
    5    HB2  SER   1           HB2      SER   1  17.884 -10.531  -8.373
    6    HB3  SER   1           HB1      SER   1  17.357 -10.738 -10.046
    7    HG   SER   1           HG       SER   1  18.010  -8.580  -9.186
    8    H    ALA   2           HN       ALA   2  14.729 -12.083  -6.589
    9    HA   ALA   2           HA       ALA   2  15.431 -14.718  -7.510
   10    HB1  ALA   2           HB1      ALA   2  16.825 -13.636  -5.061
   11    HB2  ALA   2           HB2      ALA   2  17.594 -14.032  -6.601
   12    HB3  ALA   2           HB3      ALA   2  16.871 -15.306  -5.622
   13    H    LYS   3           HN       LYS   3  14.290 -12.593  -4.959
   14    HA   LYS   3           HA       LYS   3  12.783 -12.742  -3.395
   15    HB2  LYS   3           HB2      LYS   3  11.170 -13.338  -4.863
   16    HB3  LYS   3           HB1      LYS   3  11.798 -14.958  -5.173
   17    HG2  LYS   3           HG2      LYS   3  11.083 -15.447  -2.763
   18    HG3  LYS   3           HG1      LYS   3  10.256 -13.892  -2.817
   19    HD2  LYS   3           HD2      LYS   3   8.633 -15.533  -3.332
   20    HD3  LYS   3           HD1      LYS   3   9.023 -14.742  -4.854
   21    HE2  LYS   3           HE2      LYS   3  10.113 -17.396  -3.903
   22    HE3  LYS   3           HE1      LYS   3   8.778 -17.205  -5.027
   23    HZ1  LYS   3           HZ1      LYS   3  10.454 -16.069  -6.545
   24    HZ2  LYS   3           HZ2      LYS   3  10.664 -17.715  -6.262
   25    HZ3  LYS   3           HZ3      LYS   3  11.663 -16.642  -5.475
   26    H    LEU   4           HN       LEU   4  13.373 -13.037  -1.528
   27    HA   LEU   4           HA       LEU   4  14.802 -15.381  -0.617
   28    HB2  LEU   4           HB2      LEU   4  13.946 -12.921   0.971
   29    HB3  LEU   4           HB1      LEU   4  15.128 -14.105   1.430
   30    HG   LEU   4           HG       LEU   4  16.566 -13.282  -0.524
   31   HD11  LEU   4          HD11      LEU   4  16.209 -11.056  -1.386
   32   HD12  LEU   4          HD12      LEU   4  14.720 -10.898  -0.474
   33   HD13  LEU   4          HD13      LEU   4  14.807 -12.049  -1.787
   34   HD21  LEU   4          HD21      LEU   4  17.418 -11.379   0.756
   35   HD22  LEU   4          HD22      LEU   4  17.060 -12.755   1.797
   36   HD23  LEU   4          HD23      LEU   4  15.954 -11.383   1.737
   37    H    GLU   5           HN       GLU   5  13.751 -15.488   2.082
   38    HA   GLU   5           HA       GLU   5  11.108 -16.468   1.403
   39    HB2  GLU   5           HB2      GLU   5  12.894 -17.225   3.705
   40    HB3  GLU   5           HB1      GLU   5  11.234 -17.776   3.547
   41    HG2  GLU   5           HG2      GLU   5  11.755 -18.837   1.408
   42    HG3  GLU   5           HG1      GLU   5  13.419 -18.287   1.530
   43    H    CYS   6           HN       CYS   6   9.325 -16.003   2.475
   44    HA   CYS   6           HA       CYS   6   9.290 -13.388   3.813
   45    HB2  CYS   6           HB2      CYS   6   7.071 -14.978   2.496
   46    HB3  CYS   6           HB1      CYS   6   6.945 -13.342   3.130
   47    HA   PRO   7           HA       PRO   7   7.657 -15.294   7.584
   48    HB2  PRO   7           HB2      PRO   7   5.481 -13.261   7.601
   49    HB3  PRO   7           HB1      PRO   7   6.723 -13.560   8.835
   50    HG2  PRO   7           HG2      PRO   7   6.874 -11.370   7.321
   51    HG3  PRO   7           HG1      PRO   7   8.321 -12.295   7.764
   52    HD2  PRO   7           HD2      PRO   7   6.805 -12.284   5.210
   53    HD3  PRO   7           HD1      PRO   7   8.552 -12.190   5.505
   54    H    GLN   8           HN       GLN   8   5.729 -16.458   8.322
   55    HA   GLN   8           HA       GLN   8   4.851 -18.135   6.310
   56    HB2  GLN   8           HB2      GLN   8   3.376 -19.210   7.976
   57    HB3  GLN   8           HB1      GLN   8   5.034 -18.982   8.504
   58    HG2  GLN   8           HG2      GLN   8   4.308 -17.019   9.818
   59    HG3  GLN   8           HG1      GLN   8   2.647 -17.336   9.324
   60   HE21  GLN   8          HE21      GLN   8   1.554 -19.105  10.224
   61   HE22  GLN   8          HE22      GLN   8   2.167 -19.946  11.589
   62    H    ASP   9           HN       ASP   9   3.079 -15.344   7.432
   63    HA   ASP   9           HA       ASP   9   0.681 -16.328   6.035
   64    HB2  ASP   9           HB2      ASP   9   1.006 -13.860   7.738
   65    HB3  ASP   9           HB1      ASP   9  -0.503 -14.449   7.061
   66    H    TRP  10           HN       TRP  10   3.312 -14.856   5.025
   67    HA   TRP  10           HA       TRP  10   1.957 -12.685   3.603
   68    HB2  TRP  10           HB2      TRP  10   4.907 -13.207   4.021
   69    HB3  TRP  10           HB1      TRP  10   4.223 -11.852   3.126
   70    HD1  TRP  10           HD1      TRP  10   3.550 -13.222   6.718
   71    HE1  TRP  10           HE1      TRP  10   3.670 -11.238   8.354
   72    HE3  TRP  10           HE3      TRP  10   4.619  -9.494   3.411
   73    HZ2  TRP  10           HZ2      TRP  10   4.124  -8.477   8.252
   74    HZ3  TRP  10           HZ3      TRP  10   4.880  -7.215   4.272
   75    HH2  TRP  10           HH2      TRP  10   4.641  -6.723   6.637
   76    H    LEU  11           HN       LEU  11   1.781 -12.637   1.452
   77    HA   LEU  11           HA       LEU  11   2.556 -15.050  -0.058
   78    HB2  LEU  11           HB2      LEU  11   0.876 -12.717  -1.020
   79    HB3  LEU  11           HB1      LEU  11   1.092 -14.256  -1.816
   80    HG   LEU  11           HG       LEU  11  -1.066 -14.309  -1.012
   81   HD11  LEU  11          HD11      LEU  11   0.552 -15.772   1.034
   82   HD12  LEU  11          HD12      LEU  11   0.034 -16.362  -0.541
   83   HD13  LEU  11          HD13      LEU  11  -1.163 -16.022   0.709
   84   HD21  LEU  11          HD21      LEU  11  -0.142 -13.283   1.675
   85   HD22  LEU  11          HD22      LEU  11  -1.811 -13.664   1.217
   86   HD23  LEU  11          HD23      LEU  11  -0.954 -12.339   0.430
   87    H    SER  12           HN       SER  12   4.134 -15.043  -1.543
   88    HA   SER  12           HA       SER  12   5.600 -12.563  -1.725
   89    HB2  SER  12           HB2      SER  12   7.448 -14.086  -2.490
   90    HB3  SER  12           HB1      SER  12   6.813 -14.344  -0.855
   91    HG   SER  12           HG       SER  12   5.890 -16.144  -1.414
   92    H    HIS  13           HN       HIS  13   5.859 -11.425  -3.502
   93    HA   HIS  13           HA       HIS  13   5.456 -12.579  -6.141
   94    HB2  HIS  13           HB2      HIS  13   3.182 -11.821  -5.400
   95    HB3  HIS  13           HB1      HIS  13   3.837 -10.201  -5.221
   96    HD1  HIS  13           HD1      HIS  13   3.483  -8.681  -7.278
   97    HD2  HIS  13           HD2      HIS  13   3.461 -12.739  -8.261
   98    HE1  HIS  13           HE1      HIS  13   2.734  -8.812  -9.611
   99    HE2  HIS  13           HE2      HIS  13   3.149 -11.188 -10.262
  100    H    ARG  14           HN       ARG  14   7.137 -11.919  -7.211
  101    HA   ARG  14           HA       ARG  14   8.798 -10.783  -8.116
  102    HB2  ARG  14           HB2      ARG  14   7.069  -8.346  -7.699
  103    HB3  ARG  14           HB1      ARG  14   8.383  -8.503  -8.846
  104    HG2  ARG  14           HG2      ARG  14   7.036 -10.398  -9.894
  105    HG3  ARG  14           HG1      ARG  14   5.691  -9.825  -8.909
  106    HD2  ARG  14           HD2      ARG  14   7.150  -8.393 -11.106
  107    HD3  ARG  14           HD1      ARG  14   5.431  -8.780 -10.965
  108    HE   ARG  14           HE       ARG  14   5.564  -7.172  -8.962
  109   HH11  ARG  14          HH11      ARG  14   7.085  -6.726 -12.130
  110   HH12  ARG  14          HH12      ARG  14   7.451  -5.087 -11.905
  111   HH21  ARG  14          HH21      ARG  14   6.072  -4.940  -8.634
  112   HH22  ARG  14          HH22      ARG  14   6.922  -4.034  -9.844
  113    H    ASP  15           HN       ASP  15   9.351 -11.333  -5.608
  114    HA   ASP  15           HA       ASP  15  10.909 -10.919  -3.928
  115    HB2  ASP  15           HB2      ASP  15  11.590  -8.327  -5.358
  116    HB3  ASP  15           HB1      ASP  15  12.523  -9.162  -4.154
  117    H    LYS  16           HN       LYS  16   8.191 -10.112  -3.618
  118    HA   LYS  16           HA       LYS  16   8.578  -8.357  -1.333
  119    HB2  LYS  16           HB2      LYS  16   6.249  -7.968  -3.267
  120    HB3  LYS  16           HB1      LYS  16   6.348  -7.266  -1.675
  121    HG2  LYS  16           HG2      LYS  16   6.817  -5.529  -3.146
  122    HG3  LYS  16           HG1      LYS  16   8.401  -6.015  -2.553
  123    HD2  LYS  16           HD2      LYS  16   8.862  -7.205  -4.512
  124    HD3  LYS  16           HD1      LYS  16   7.238  -7.068  -5.131
  125    HE2  LYS  16           HE2      LYS  16   7.619  -4.562  -5.124
  126    HE3  LYS  16           HE1      LYS  16   9.322  -4.925  -4.823
  127    HZ1  LYS  16           HZ1      LYS  16   9.206  -6.389  -6.818
  128    HZ2  LYS  16           HZ2      LYS  16   9.030  -4.750  -7.166
  129    HZ3  LYS  16           HZ3      LYS  16   7.664  -5.761  -7.111
  130    H    CYS  17           HN       CYS  17   6.866  -8.653   0.186
  131    HA   CYS  17           HA       CYS  17   5.341 -11.151  -0.164
  132    HB2  CYS  17           HB2      CYS  17   6.433 -10.176   2.467
  133    HB3  CYS  17           HB1      CYS  17   5.892 -11.793   2.023
  134    H    PHE  18           HN       PHE  18   3.190 -10.834   0.311
  135    HA   PHE  18           HA       PHE  18   2.429  -8.192   1.386
  136    HB2  PHE  18           HB2      PHE  18   0.768 -10.102  -0.244
  137    HB3  PHE  18           HB1      PHE  18   0.329  -8.462   0.188
  138    HD1  PHE  18           HD2      PHE  18   2.676  -6.906  -0.496
  139    HD2  PHE  18           HD1      PHE  18   0.990 -10.255  -2.473
  140    HE1  PHE  18           HE2      PHE  18   3.689  -6.151  -2.609
  141    HE2  PHE  18           HE1      PHE  18   1.997  -9.510  -4.600
  142    HZ   PHE  18           HZ       PHE  18   3.347  -7.456  -4.666
  143    H    HIS  19           HN       HIS  19   1.191  -8.079   3.143
  144    HA   HIS  19           HA       HIS  19   0.006 -10.560   4.220
  145    HB2  HIS  19           HB2      HIS  19   1.896  -9.522   5.715
  146    HB3  HIS  19           HB1      HIS  19   0.786  -8.176   5.902
  147    HD1  HIS  19           HD1      HIS  19  -0.938  -8.373   7.784
  148    HD2  HIS  19           HD2      HIS  19   0.806 -12.013   6.732
  149    HE1  HIS  19           HE1      HIS  19  -1.650  -9.995   9.511
  150    HE2  HIS  19           HE2      HIS  19  -0.747 -12.190   8.812
  151    H    VAL  20           HN       VAL  20  -2.084 -10.387   3.726
  152    HA   VAL  20           HA       VAL  20  -3.403  -7.798   3.797
  153    HB   VAL  20           HB       VAL  20  -4.568 -10.538   3.177
  154   HG11  VAL  20          HG11      VAL  20  -6.249  -8.942   3.903
  155   HG12  VAL  20          HG12      VAL  20  -6.435  -9.299   2.185
  156   HG13  VAL  20          HG13      VAL  20  -5.695  -7.782   2.695
  157   HG21  VAL  20          HG21      VAL  20  -4.465  -9.884   0.813
  158   HG22  VAL  20          HG22      VAL  20  -2.858  -9.941   1.534
  159   HG23  VAL  20          HG23      VAL  20  -3.651  -8.388   1.263
  160    H    SER  21           HN       SER  21  -3.478  -7.245   5.889
  161    HA   SER  21           HA       SER  21  -4.066  -9.116   7.967
  162    HB2  SER  21           HB2      SER  21  -4.006  -6.106   8.136
  163    HB3  SER  21           HB1      SER  21  -3.652  -7.278   9.406
  164    HG   SER  21           HG       SER  21  -2.005  -6.119   7.758
  165    H    GLN  22           HN       GLN  22  -6.131  -9.778   8.258
  166    HA   GLN  22           HA       GLN  22  -8.385  -8.204   7.356
  167    HB2  GLN  22           HB2      GLN  22  -8.161 -10.975   8.504
  168    HB3  GLN  22           HB1      GLN  22  -9.712 -10.211   8.207
  169    HG2  GLN  22           HG2      GLN  22  -7.616 -10.675   6.097
  170    HG3  GLN  22           HG1      GLN  22  -8.964 -11.759   6.420
  171   HE21  GLN  22          HE21      GLN  22 -10.890  -9.605   6.890
  172   HE22  GLN  22          HE22      GLN  22 -11.261  -8.933   5.345
  173    H    VAL  23           HN       VAL  23  -6.716  -7.575   9.724
  174    HA   VAL  23           HA       VAL  23  -8.846  -7.404  11.733
  175    HB   VAL  23           HB       VAL  23  -7.000  -6.899  13.421
  176   HG11  VAL  23          HG11      VAL  23  -6.348  -9.248  13.709
  177   HG12  VAL  23          HG12      VAL  23  -6.943  -9.598  12.080
  178   HG13  VAL  23          HG13      VAL  23  -8.062  -9.059  13.336
  179   HG21  VAL  23          HG21      VAL  23  -4.722  -7.639  12.866
  180   HG22  VAL  23          HG22      VAL  23  -5.234  -6.288  11.855
  181   HG23  VAL  23          HG23      VAL  23  -5.230  -7.925  11.200
  182    H    SER  24           HN       SER  24  -8.815  -5.280  12.961
  183    HA   SER  24           HA       SER  24  -8.408  -3.324  10.816
  184    HB2  SER  24           HB2      SER  24 -10.546  -3.275  12.916
  185    HB3  SER  24           HB1      SER  24 -10.401  -2.205  11.523
  186    HG   SER  24           HG       SER  24 -10.885  -4.964  11.597
  187    H    ASN  25           HN       ASN  25  -7.844  -1.262  11.204
  188    HA   ASN  25           HA       ASN  25  -7.046  -0.208  13.756
  189    HB2  ASN  25           HB2      ASN  25  -5.176  -1.276  11.737
  190    HB3  ASN  25           HB1      ASN  25  -4.725   0.247  12.492
  191   HD21  ASN  25          HD21      ASN  25  -3.207  -2.021  12.652
  192   HD22  ASN  25          HD22      ASN  25  -3.176  -2.584  14.262
  193    H    THR  26           HN       THR  26  -5.802   2.006  13.115
  194    HA   THR  26           HA       THR  26  -7.302   3.252  10.998
  195    HB   THR  26           HB       THR  26  -6.080   5.314  11.691
  196    HG1  THR  26           HG1      THR  26  -4.745   5.073  13.659
  197   HG21  THR  26          HG21      THR  26  -7.191   3.787  14.051
  198   HG22  THR  26          HG22      THR  26  -8.132   4.738  12.902
  199   HG23  THR  26          HG23      THR  26  -6.975   5.536  13.968
  200    H    TRP  27           HN       TRP  27  -5.865   4.616   9.470
  201    HA   TRP  27           HA       TRP  27  -4.262   2.903   7.947
  202    HB2  TRP  27           HB2      TRP  27  -5.409   4.920   7.060
  203    HB3  TRP  27           HB1      TRP  27  -4.280   5.921   7.964
  204    HD1  TRP  27           HD1      TRP  27  -4.515   3.770   4.837
  205    HE1  TRP  27           HE1      TRP  27  -2.474   4.189   3.376
  206    HE3  TRP  27           HE3      TRP  27  -1.864   6.626   8.044
  207    HZ2  TRP  27           HZ2      TRP  27   0.000   5.607   3.558
  208    HZ3  TRP  27           HZ3      TRP  27   0.293   7.479   7.413
  209    HH2  TRP  27           HH2      TRP  27   1.250   6.988   5.170
  210    H    GLU  28           HN       GLU  28  -3.306   5.579  10.102
  211    HA   GLU  28           HA       GLU  28  -0.540   5.183   9.705
  212    HB2  GLU  28           HB2      GLU  28  -1.964   6.690  11.900
  213    HB3  GLU  28           HB1      GLU  28  -0.236   6.805  11.568
  214    HG2  GLU  28           HG2      GLU  28  -0.749   7.713   9.356
  215    HG3  GLU  28           HG1      GLU  28  -2.476   7.574   9.700
  216    H    GLU  29           HN       GLU  29  -2.802   3.811  12.042
  217    HA   GLU  29           HA       GLU  29  -0.894   2.773  13.799
  218    HB2  GLU  29           HB2      GLU  29  -3.348   3.068  14.145
  219    HB3  GLU  29           HB1      GLU  29  -3.603   1.714  13.062
  220    HG2  GLU  29           HG2      GLU  29  -3.803   1.050  15.270
  221    HG3  GLU  29           HG1      GLU  29  -2.348   0.287  14.611
  222    H    GLY  30           HN       GLY  30  -2.639   1.376  11.000
  223    HA2  GLY  30           HA2      GLY  30  -1.372  -1.158  10.965
  224    HA3  GLY  30           HA1      GLY  30  -2.156  -0.410   9.604
  225    H    LEU  31           HN       LEU  31  -0.494   1.895   9.622
  226    HA   LEU  31           HA       LEU  31   1.607   1.265   7.947
  227    HB2  LEU  31           HB2      LEU  31   0.577   3.493   8.218
  228    HB3  LEU  31           HB1      LEU  31   1.206   3.609   9.829
  229    HG   LEU  31           HG       LEU  31   2.294   5.067   8.097
  230   HD11  LEU  31          HD11      LEU  31   4.127   3.169   9.527
  231   HD12  LEU  31          HD12      LEU  31   3.418   4.641  10.187
  232   HD13  LEU  31          HD13      LEU  31   4.571   4.738   8.853
  233   HD21  LEU  31          HD21      LEU  31   3.410   2.456   7.150
  234   HD22  LEU  31          HD22      LEU  31   3.960   4.054   6.634
  235   HD23  LEU  31          HD23      LEU  31   2.316   3.513   6.267
  236    H    VAL  32           HN       VAL  32   1.672   1.971  11.437
  237    HA   VAL  32           HA       VAL  32   4.431   1.382  11.824
  238    HB   VAL  32           HB       VAL  32   2.191   1.434  13.885
  239   HG11  VAL  32          HG11      VAL  32   4.181   0.259  14.718
  240   HG12  VAL  32          HG12      VAL  32   3.956   1.803  15.544
  241   HG13  VAL  32          HG13      VAL  32   5.181   1.647  14.285
  242   HG21  VAL  32          HG21      VAL  32   4.124   3.583  13.036
  243   HG22  VAL  32          HG22      VAL  32   2.976   3.714  14.368
  244   HG23  VAL  32          HG23      VAL  32   2.392   3.554  12.708
  245    H    ASP  33           HN       ASP  33   1.504  -0.534  12.054
  246    HA   ASP  33           HA       ASP  33   2.601  -2.836  13.177
  247    HB2  ASP  33           HB2      ASP  33   0.205  -2.347  11.495
  248    HB3  ASP  33           HB1      ASP  33   0.719  -4.008  11.715
  249    H    CYS  34           HN       CYS  34   2.570  -1.807   9.839
  250    HA   CYS  34           HA       CYS  34   3.723  -4.199   8.819
  251    HB2  CYS  34           HB2      CYS  34   3.878  -1.418   7.686
  252    HB3  CYS  34           HB1      CYS  34   4.203  -2.855   6.783
  253    H    ASP  35           HN       ASP  35   5.085  -1.137   9.979
  254    HA   ASP  35           HA       ASP  35   7.753  -1.658   9.242
  255    HB2  ASP  35           HB2      ASP  35   6.498   0.258  11.146
  256    HB3  ASP  35           HB1      ASP  35   8.220  -0.023  11.305
  257    H    GLY  36           HN       GLY  36   5.892  -2.770  11.855
  258    HA2  GLY  36           HA2      GLY  36   7.873  -3.505  13.698
  259    HA3  GLY  36           HA1      GLY  36   6.290  -4.257  13.521
  260    H    LYS  37           HN       LYS  37   6.667  -5.190  10.858
  261    HA   LYS  37           HA       LYS  37   8.203  -7.572  11.493
  262    HB2  LYS  37           HB2      LYS  37   6.438  -6.904   9.136
  263    HB3  LYS  37           HB1      LYS  37   7.402  -8.356   9.202
  264    HG2  LYS  37           HG2      LYS  37   5.217  -9.003   9.794
  265    HG3  LYS  37           HG1      LYS  37   6.118  -8.952  11.294
  266    HD2  LYS  37           HD2      LYS  37   5.097  -6.909  11.949
  267    HD3  LYS  37           HD1      LYS  37   4.414  -6.677  10.334
  268    HE2  LYS  37           HE2      LYS  37   2.928  -8.508  10.597
  269    HE3  LYS  37           HE1      LYS  37   3.696  -9.013  12.102
  270    HZ1  LYS  37           HZ1      LYS  37   1.624  -7.842  12.478
  271    HZ2  LYS  37           HZ2      LYS  37   2.210  -6.457  11.716
  272    HZ3  LYS  37           HZ3      LYS  37   2.907  -7.008  13.152
  273    H    GLY  38           HN       GLY  38   9.089  -4.684  10.426
  274    HA2  GLY  38           HA2      GLY  38  10.931  -3.951   9.229
  275    HA3  GLY  38           HA1      GLY  38  11.350  -5.648   8.940
  276    H    ALA  39           HN       ALA  39   8.389  -3.936   8.264
  277    HA   ALA  39           HA       ALA  39   8.786  -4.396   5.421
  278    HB1  ALA  39           HB1      ALA  39   7.435  -6.215   6.269
  279    HB2  ALA  39           HB2      ALA  39   6.455  -5.130   5.260
  280    HB3  ALA  39           HB3      ALA  39   6.309  -5.056   7.012
  281    H    THR  40           HN       THR  40   6.812  -3.260   4.336
  282    HA   THR  40           HA       THR  40   6.532  -0.623   5.559
  283    HB   THR  40           HB       THR  40   6.345   0.014   3.022
  284    HG1  THR  40           HG1      THR  40   6.547  -2.393   2.583
  285   HG21  THR  40          HG21      THR  40   8.782   0.389   2.914
  286   HG22  THR  40          HG22      THR  40   9.001  -0.701   4.288
  287   HG23  THR  40          HG23      THR  40   8.129   0.819   4.491
  288    H    LEU  41           HN       LEU  41   4.468   0.368   5.155
  289    HA   LEU  41           HA       LEU  41   2.237  -1.366   4.770
  290    HB2  LEU  41           HB2      LEU  41   2.254   0.907   5.950
  291    HB3  LEU  41           HB1      LEU  41   2.326   1.642   4.371
  292    HG   LEU  41           HG       LEU  41   0.091   0.671   3.854
  293   HD11  LEU  41          HD11      LEU  41   0.131  -1.244   5.385
  294   HD12  LEU  41          HD12      LEU  41  -1.279  -0.226   5.651
  295   HD13  LEU  41          HD13      LEU  41   0.070  -0.150   6.768
  296   HD21  LEU  41          HD21      LEU  41  -1.170   2.191   5.249
  297   HD22  LEU  41          HD22      LEU  41   0.337   2.946   4.719
  298   HD23  LEU  41          HD23      LEU  41   0.189   2.322   6.359
  299    H    MET  42           HN       MET  42   1.020  -1.732   2.904
  300    HA   MET  42           HA       MET  42   2.332  -2.503   0.716
  301    HB2  MET  42           HB2      MET  42   0.017  -3.074   1.168
  302    HB3  MET  42           HB1      MET  42  -0.476  -1.456   0.679
  303    HG2  MET  42           HG2      MET  42  -0.868  -3.060  -1.102
  304    HG3  MET  42           HG1      MET  42   0.371  -1.907  -1.593
  305    HE1  MET  42           HE1      MET  42   1.558  -3.233  -3.444
  306    HE2  MET  42           HE2      MET  42   0.142  -4.283  -3.318
  307    HE3  MET  42           HE3      MET  42   1.756  -4.990  -3.379
  308    H    LEU  43           HN       LEU  43   3.415  -1.738  -0.878
  309    HA   LEU  43           HA       LEU  43   3.148   1.086  -1.742
  310    HB2  LEU  43           HB2      LEU  43   5.144   0.312  -0.274
  311    HB3  LEU  43           HB1      LEU  43   5.649  -0.595  -1.681
  312    HG   LEU  43           HG       LEU  43   5.765   1.559  -2.939
  313   HD11  LEU  43          HD11      LEU  43   5.737   3.619  -1.620
  314   HD12  LEU  43          HD12      LEU  43   5.297   2.687  -0.189
  315   HD13  LEU  43          HD13      LEU  43   4.180   2.790  -1.544
  316   HD21  LEU  43          HD21      LEU  43   7.827   2.295  -1.873
  317   HD22  LEU  43          HD22      LEU  43   7.741   0.528  -1.919
  318   HD23  LEU  43          HD23      LEU  43   7.413   1.390  -0.418
  319    H    ILE  44           HN       ILE  44   2.272   0.921  -3.725
  320    HA   ILE  44           HA       ILE  44   2.581  -1.595  -5.175
  321    HB   ILE  44           HB       ILE  44   0.587   0.612  -5.641
  322   HG12  ILE  44          HG12      ILE  44   0.186  -1.953  -4.124
  323   HG13  ILE  44          HG11      ILE  44   0.588  -0.438  -3.321
  324   HG21  ILE  44          HG21      ILE  44   0.965  -0.962  -7.523
  325   HG22  ILE  44          HG22      ILE  44  -0.651  -1.086  -6.835
  326   HG23  ILE  44          HG23      ILE  44   0.562  -2.306  -6.445
  327   HD11  ILE  44          HD11      ILE  44  -1.489   0.511  -4.229
  328   HD12  ILE  44          HD12      ILE  44  -1.762  -0.940  -3.238
  329   HD13  ILE  44          HD13      ILE  44  -1.764  -1.055  -5.004
  330    H    GLN  45           HN       GLN  45   4.085  -1.595  -6.602
  331    HA   GLN  45           HA       GLN  45   4.968   0.777  -8.014
  332    HB2  GLN  45           HB2      GLN  45   6.593  -0.774  -7.112
  333    HB3  GLN  45           HB1      GLN  45   5.885  -2.091  -8.026
  334    HG2  GLN  45           HG2      GLN  45   6.536  -0.901 -10.112
  335    HG3  GLN  45           HG1      GLN  45   7.392   0.271  -9.108
  336   HE21  GLN  45          HE21      GLN  45   9.260  -0.361  -8.039
  337   HE22  GLN  45          HE22      GLN  45  10.075  -1.836  -8.430
  338    H    ASP  46           HN       ASP  46   3.002  -2.088  -8.676
  339    HA   ASP  46           HA       ASP  46   2.638  -1.221 -11.413
  340    HB2  ASP  46           HB2      ASP  46   4.599  -2.843 -11.393
  341    HB3  ASP  46           HB1      ASP  46   3.493  -4.068 -10.797
  342    H    GLN  47           HN       GLN  47   0.860  -2.436 -12.420
  343    HA   GLN  47           HA       GLN  47  -1.291  -2.608 -10.564
  344    HB2  GLN  47           HB2      GLN  47  -1.419  -1.620 -12.837
  345    HB3  GLN  47           HB1      GLN  47  -1.267  -3.233 -13.512
  346    HG2  GLN  47           HG2      GLN  47  -3.360  -3.897 -12.637
  347    HG3  GLN  47           HG1      GLN  47  -3.466  -2.465 -11.618
  348   HE21  GLN  47          HE21      GLN  47  -2.454  -0.734 -13.825
  349   HE22  GLN  47          HE22      GLN  47  -3.821  -0.502 -14.823
  350    H    GLU  48           HN       GLU  48   0.835  -4.894 -12.148
  351    HA   GLU  48           HA       GLU  48  -0.851  -7.086 -11.657
  352    HB2  GLU  48           HB2      GLU  48   0.966  -8.568 -12.120
  353    HB3  GLU  48           HB1      GLU  48   0.952  -7.286 -13.310
  354    HG2  GLU  48           HG2      GLU  48   2.875  -6.299 -12.394
  355    HG3  GLU  48           HG1      GLU  48   2.773  -7.270 -10.921
  356    H    GLU  49           HN       GLU  49   1.346  -5.343  -9.692
  357    HA   GLU  49           HA       GLU  49   1.637  -7.145  -7.569
  358    HB2  GLU  49           HB2      GLU  49   1.186  -4.158  -7.451
  359    HB3  GLU  49           HB1      GLU  49   1.809  -5.060  -6.100
  360    HG2  GLU  49           HG2      GLU  49   3.149  -4.630  -8.787
  361    HG3  GLU  49           HG1      GLU  49   3.555  -3.805  -7.294
  362    H    LEU  50           HN       LEU  50  -0.850  -4.691  -8.208
  363    HA   LEU  50           HA       LEU  50  -2.490  -5.556  -6.096
  364    HB2  LEU  50           HB2      LEU  50  -3.118  -3.731  -8.378
  365    HB3  LEU  50           HB1      LEU  50  -4.301  -4.251  -7.183
  366    HG   LEU  50           HG       LEU  50  -1.767  -2.795  -6.506
  367   HD11  LEU  50          HD11      LEU  50  -3.346  -1.410  -7.811
  368   HD12  LEU  50          HD12      LEU  50  -3.265  -0.854  -6.140
  369   HD13  LEU  50          HD13      LEU  50  -4.619  -1.836  -6.675
  370   HD21  LEU  50          HD21      LEU  50  -4.180  -3.655  -4.904
  371   HD22  LEU  50          HD22      LEU  50  -2.986  -2.515  -4.322
  372   HD23  LEU  50          HD23      LEU  50  -2.512  -4.173  -4.663
  373    H    ARG  51           HN       ARG  51  -2.333  -6.643  -9.437
  374    HA   ARG  51           HA       ARG  51  -4.865  -7.860  -9.318
  375    HB2  ARG  51           HB2      ARG  51  -4.298  -8.955 -11.368
  376    HB3  ARG  51           HB1      ARG  51  -3.408  -7.440 -11.386
  377    HG2  ARG  51           HG2      ARG  51  -1.885  -8.878 -12.208
  378    HG3  ARG  51           HG1      ARG  51  -1.443  -8.801 -10.524
  379    HD2  ARG  51           HD2      ARG  51  -2.668 -10.906 -10.075
  380    HD3  ARG  51           HD1      ARG  51  -3.036 -11.029 -11.792
  381    HE   ARG  51           HE       ARG  51  -0.378 -10.907 -11.856
  382   HH11  ARG  51          HH11      ARG  51  -2.475 -12.889  -9.691
  383   HH12  ARG  51          HH12      ARG  51  -1.389 -14.176  -9.669
  384   HH21  ARG  51          HH21      ARG  51   1.096 -12.697 -11.727
  385   HH22  ARG  51          HH22      ARG  51   0.682 -14.090 -10.839
  386    H    PHE  52           HN       PHE  52  -1.665  -8.756  -8.237
  387    HA   PHE  52           HA       PHE  52  -2.390 -11.415  -7.530
  388    HB2  PHE  52           HB2      PHE  52  -0.041 -10.664  -8.043
  389    HB3  PHE  52           HB1      PHE  52  -0.057  -9.756  -6.539
  390    HD1  PHE  52           HD1      PHE  52  -0.118 -13.131  -8.008
  391    HD2  PHE  52           HD2      PHE  52   0.302 -10.836  -4.457
  392    HE1  PHE  52           HE1      PHE  52   0.699 -15.125  -6.824
  393    HE2  PHE  52           HE2      PHE  52   1.119 -12.810  -3.267
  394    HZ   PHE  52           HZ       PHE  52   1.322 -14.968  -4.443
  395    H    LEU  53           HN       LEU  53  -2.554  -8.268  -6.085
  396    HA   LEU  53           HA       LEU  53  -3.103  -9.153  -3.462
  397    HB2  LEU  53           HB2      LEU  53  -3.739  -6.512  -4.819
  398    HB3  LEU  53           HB1      LEU  53  -4.529  -6.928  -3.366
  399    HG   LEU  53           HG       LEU  53  -2.638  -5.510  -2.865
  400   HD11  LEU  53          HD11      LEU  53  -3.321  -7.162  -1.220
  401   HD12  LEU  53          HD12      LEU  53  -1.590  -6.797  -1.163
  402   HD13  LEU  53          HD13      LEU  53  -2.139  -8.303  -1.879
  403   HD21  LEU  53          HD21      LEU  53  -0.945  -7.710  -4.015
  404   HD22  LEU  53          HD22      LEU  53  -0.347  -6.327  -3.103
  405   HD23  LEU  53          HD23      LEU  53  -1.116  -6.079  -4.665
  406    H    LEU  54           HN       LEU  54  -5.193  -8.381  -6.153
  407    HA   LEU  54           HA       LEU  54  -7.612  -9.066  -4.984
  408    HB2  LEU  54           HB2      LEU  54  -6.798  -9.613  -7.829
  409    HB3  LEU  54           HB1      LEU  54  -8.443  -9.471  -7.251
  410    HG   LEU  54           HG       LEU  54  -6.371  -7.318  -7.535
  411   HD11  LEU  54          HD11      LEU  54  -8.025  -6.266  -8.983
  412   HD12  LEU  54          HD12      LEU  54  -9.098  -7.646  -8.744
  413   HD13  LEU  54          HD13      LEU  54  -7.547  -7.862  -9.560
  414   HD21  LEU  54          HD21      LEU  54  -7.439  -6.910  -5.423
  415   HD22  LEU  54          HD22      LEU  54  -9.042  -7.123  -6.135
  416   HD23  LEU  54          HD23      LEU  54  -8.051  -5.744  -6.599
  417    H    ASP  55           HN       ASP  55  -5.198 -11.140  -6.487
  418    HA   ASP  55           HA       ASP  55  -6.520 -13.592  -6.333
  419    HB2  ASP  55           HB2      ASP  55  -3.564 -12.956  -6.187
  420    HB3  ASP  55           HB1      ASP  55  -4.161 -14.598  -6.094
  421    H    SER  56           HN       SER  56  -4.506 -11.944  -3.934
  422    HA   SER  56           HA       SER  56  -4.909 -14.041  -2.019
  423    HB2  SER  56           HB2      SER  56  -3.666 -12.506  -0.456
  424    HB3  SER  56           HB1      SER  56  -2.803 -12.921  -1.934
  425    HG   SER  56           HG       SER  56  -4.210 -10.688  -2.392
  426    H    ILE  57           HN       ILE  57  -6.501 -11.046  -2.755
  427    HA   ILE  57           HA       ILE  57  -7.789 -10.630  -0.270
  428    HB   ILE  57           HB       ILE  57  -8.680  -9.728  -3.026
  429   HG12  ILE  57          HG12      ILE  57  -6.566  -8.714  -2.573
  430   HG13  ILE  57          HG11      ILE  57  -7.792  -7.484  -2.309
  431   HG21  ILE  57          HG21      ILE  57  -9.648  -8.779  -0.341
  432   HG22  ILE  57          HG22      ILE  57 -10.558  -9.697  -1.543
  433   HG23  ILE  57          HG23      ILE  57 -10.055  -8.044  -1.893
  434   HD11  ILE  57          HD11      ILE  57  -6.344  -9.051  -0.189
  435   HD12  ILE  57          HD12      ILE  57  -7.593  -7.841   0.106
  436   HD13  ILE  57          HD13      ILE  57  -6.063  -7.368  -0.632
  437    H    LYS  58           HN       LYS  58  -9.039 -11.948  -3.325
  438    HA   LYS  58           HA       LYS  58 -10.658 -13.418  -3.828
  439    HB2  LYS  58           HB2      LYS  58  -9.557 -15.021  -2.402
  440    HB3  LYS  58           HB1      LYS  58 -10.254 -14.302  -0.969
  441    HG2  LYS  58           HG2      LYS  58 -11.352 -16.412  -1.479
  442    HG3  LYS  58           HG1      LYS  58 -12.478 -15.074  -1.648
  443    HD2  LYS  58           HD2      LYS  58 -12.767 -16.678  -3.441
  444    HD3  LYS  58           HD1      LYS  58 -12.196 -15.132  -4.062
  445    HE2  LYS  58           HE2      LYS  58 -11.053 -17.031  -5.146
  446    HE3  LYS  58           HE1      LYS  58  -9.922 -16.029  -4.240
  447    HZ1  LYS  58           HZ1      LYS  58 -11.043 -18.659  -3.391
  448    HZ2  LYS  58           HZ2      LYS  58 -10.065 -17.706  -2.423
  449    HZ3  LYS  58           HZ3      LYS  58  -9.455 -18.340  -3.851
  450    H    GLU  59           HN       GLU  59 -11.439 -12.211  -0.598
  451    HA   GLU  59           HA       GLU  59 -14.188 -12.480  -0.872
  452    HB2  GLU  59           HB2      GLU  59 -12.710 -10.587   0.944
  453    HB3  GLU  59           HB1      GLU  59 -14.398 -11.041   1.109
  454    HG2  GLU  59           HG2      GLU  59 -13.589 -13.425   1.303
  455    HG3  GLU  59           HG1      GLU  59 -11.967 -12.761   1.462
  456    H    LYS  60           HN       LYS  60 -12.309  -9.396  -0.963
  457    HA   LYS  60           HA       LYS  60 -12.583  -7.481  -2.058
  458    HB2  LYS  60           HB2      LYS  60 -14.646  -8.925  -3.697
  459    HB3  LYS  60           HB1      LYS  60 -13.979  -7.356  -4.098
  460    HG2  LYS  60           HG2      LYS  60 -11.700  -8.574  -4.134
  461    HG3  LYS  60           HG1      LYS  60 -12.684 -10.046  -4.108
  462    HD2  LYS  60           HD2      LYS  60 -12.842  -7.867  -6.180
  463    HD3  LYS  60           HD1      LYS  60 -12.056  -9.426  -6.394
  464    HE2  LYS  60           HE2      LYS  60 -14.187 -10.566  -6.132
  465    HE3  LYS  60           HE1      LYS  60 -14.988  -9.033  -5.789
  466    HZ1  LYS  60           HZ1      LYS  60 -14.370  -8.273  -7.976
  467    HZ2  LYS  60           HZ2      LYS  60 -15.342  -9.651  -8.076
  468    HZ3  LYS  60           HZ3      LYS  60 -13.667  -9.761  -8.340
  469    H    TYR  61           HN       TYR  61 -14.511  -8.414   0.159
  470    HA   TYR  61           HA       TYR  61 -16.328  -6.151  -0.217
  471    HB2  TYR  61           HB2      TYR  61 -17.032  -8.820   1.011
  472    HB3  TYR  61           HB1      TYR  61 -18.076  -7.397   1.013
  473    HD1  TYR  61           HD1      TYR  61 -18.379  -6.287  -1.318
  474    HD2  TYR  61           HD2      TYR  61 -17.320 -10.323  -0.700
  475    HE1  TYR  61           HE1      TYR  61 -19.210  -6.828  -3.576
  476    HE2  TYR  61           HE2      TYR  61 -18.117 -10.901  -2.953
  477    HH   TYR  61           HH       TYR  61 -18.822  -8.531  -5.262
  478    H    ASN  62           HN       ASN  62 -13.873  -6.237   0.991
  479    HA   ASN  62           HA       ASN  62 -14.601  -5.223   3.676
  480    HB2  ASN  62           HB2      ASN  62 -11.978  -6.613   2.974
  481    HB3  ASN  62           HB1      ASN  62 -12.253  -5.745   4.458
  482   HD21  ASN  62          HD21      ASN  62 -12.342  -8.714   2.911
  483   HD22  ASN  62          HD22      ASN  62 -13.086  -9.586   4.187
  484    H    SER  63           HN       SER  63 -12.042  -4.114   4.173
  485    HA   SER  63           HA       SER  63 -11.163  -2.670   1.865
  486    HB2  SER  63           HB2      SER  63 -12.305  -1.148   4.243
  487    HB3  SER  63           HB1      SER  63 -11.421  -0.415   2.904
  488    HG   SER  63           HG       SER  63 -13.388  -1.970   1.972
  489    H    PHE  64           HN       PHE  64  -9.027  -2.474   1.936
  490    HA   PHE  64           HA       PHE  64  -7.645  -2.833   4.534
  491    HB2  PHE  64           HB2      PHE  64  -6.425  -3.868   2.017
  492    HB3  PHE  64           HB1      PHE  64  -6.274  -4.470   3.663
  493    HD1  PHE  64           HD1      PHE  64  -8.217  -5.785   4.623
  494    HD2  PHE  64           HD2      PHE  64  -7.886  -4.790   0.521
  495    HE1  PHE  64           HE1      PHE  64  -9.858  -7.500   4.078
  496    HE2  PHE  64           HE2      PHE  64  -9.481  -6.466  -0.083
  497    HZ   PHE  64           HZ       PHE  64 -10.520  -7.885   1.710
  498    H    TRP  65           HN       TRP  65  -6.423  -1.086   4.887
  499    HA   TRP  65           HA       TRP  65  -5.881   1.017   3.135
  500    HB2  TRP  65           HB2      TRP  65  -4.278   0.209   5.561
  501    HB3  TRP  65           HB1      TRP  65  -4.233   1.768   4.780
  502    HD1  TRP  65           HD1      TRP  65  -5.623   0.145   7.700
  503    HE1  TRP  65           HE1      TRP  65  -7.569   1.460   8.705
  504    HE3  TRP  65           HE3      TRP  65  -6.611   3.258   3.757
  505    HZ2  TRP  65           HZ2      TRP  65  -9.299   3.527   7.938
  506    HZ3  TRP  65           HZ3      TRP  65  -8.445   4.877   3.994
  507    HH2  TRP  65           HH2      TRP  65  -9.762   4.998   6.056
  508    H    ILE  66           HN       ILE  66  -4.239   1.470   1.774
  509    HA   ILE  66           HA       ILE  66  -1.840  -0.189   1.912
  510    HB   ILE  66           HB       ILE  66  -1.338   0.207  -0.468
  511   HG12  ILE  66          HG12      ILE  66  -2.746   2.385  -0.647
  512   HG13  ILE  66          HG11      ILE  66  -2.694   1.323  -2.040
  513   HG21  ILE  66          HG21      ILE  66  -3.027  -1.232  -1.517
  514   HG22  ILE  66          HG22      ILE  66  -4.033  -1.053  -0.079
  515   HG23  ILE  66          HG23      ILE  66  -2.454  -1.831   0.038
  516   HD11  ILE  66          HD11      ILE  66  -4.953   1.468  -0.051
  517   HD12  ILE  66          HD12      ILE  66  -4.889   0.450  -1.495
  518   HD13  ILE  66          HD13      ILE  66  -4.931   2.201  -1.655
  519    H    GLY  67           HN       GLY  67   0.107   1.334   0.762
  520    HA2  GLY  67           HA2      GLY  67   0.211   3.426   2.707
  521    HA3  GLY  67           HA1      GLY  67   1.467   2.964   1.579
  522    H    LEU  68           HN       LEU  68  -1.780   4.299   1.398
  523    HA   LEU  68           HA       LEU  68  -0.765   6.445  -0.308
  524    HB2  LEU  68           HB2      LEU  68  -3.211   4.773  -0.607
  525    HB3  LEU  68           HB1      LEU  68  -3.130   6.375  -1.308
  526    HG   LEU  68           HG       LEU  68  -1.182   4.170  -1.935
  527   HD11  LEU  68          HD11      LEU  68  -3.466   3.599  -2.651
  528   HD12  LEU  68          HD12      LEU  68  -2.422   3.943  -4.022
  529   HD13  LEU  68          HD13      LEU  68  -3.589   5.150  -3.478
  530   HD21  LEU  68          HD21      LEU  68  -0.328   6.445  -2.259
  531   HD22  LEU  68          HD22      LEU  68  -1.751   6.837  -3.226
  532   HD23  LEU  68          HD23      LEU  68  -0.601   5.630  -3.796
  533    H    ARG  69           HN       ARG  69  -0.944   8.288   0.799
  534    HA   ARG  69           HA       ARG  69  -3.452   8.711   2.209
  535    HB2  ARG  69           HB2      ARG  69  -2.304  10.130   3.864
  536    HB3  ARG  69           HB1      ARG  69  -1.712   8.478   3.915
  537    HG2  ARG  69           HG2      ARG  69   0.293   9.226   2.660
  538    HG3  ARG  69           HG1      ARG  69  -0.325  10.880   2.717
  539    HD2  ARG  69           HD2      ARG  69   0.410   9.140   5.085
  540    HD3  ARG  69           HD1      ARG  69   1.286  10.559   4.516
  541    HE   ARG  69           HE       ARG  69  -1.086  11.620   5.005
  542   HH11  ARG  69          HH11      ARG  69   0.935   9.563   7.105
  543   HH12  ARG  69          HH12      ARG  69   0.117  10.010   8.543
  544   HH21  ARG  69          HH21      ARG  69  -2.128  12.244   6.969
  545   HH22  ARG  69          HH22      ARG  69  -1.646  11.602   8.463
  546    H    TYR  70           HN       TYR  70  -4.493  10.578   1.877
  547    HA   TYR  70           HA       TYR  70  -3.544  12.185  -0.359
  548    HB2  TYR  70           HB2      TYR  70  -5.886  11.208  -0.309
  549    HB3  TYR  70           HB1      TYR  70  -6.174  12.144   1.126
  550    HD1  TYR  70           HD2      TYR  70  -4.764  13.005  -2.253
  551    HD2  TYR  70           HD1      TYR  70  -7.644  13.773   0.754
  552    HE1  TYR  70           HE2      TYR  70  -5.678  14.848  -3.614
  553    HE2  TYR  70           HE1      TYR  70  -8.564  15.630  -0.590
  554    HH   TYR  70           HH       TYR  70  -7.841  17.229  -2.515
  555    H    THR  71           HN       THR  71  -2.384  13.892   0.193
  556    HA   THR  71           HA       THR  71  -2.636  14.992   2.878
  557    HB   THR  71           HB       THR  71  -0.423  16.068   2.166
  558    HG1  THR  71           HG1      THR  71  -0.925  15.417  -0.102
  559   HG21  THR  71          HG21      THR  71   0.808  14.004   2.699
  560   HG22  THR  71          HG22      THR  71  -0.653  13.056   2.418
  561   HG23  THR  71          HG23      THR  71  -0.584  14.201   3.758
  562    H    LEU  72           HN       LEU  72  -3.569  16.917   3.165
  563    HA   LEU  72           HA       LEU  72  -3.439  18.816   0.958
  564    HB2  LEU  72           HB2      LEU  72  -5.631  18.533   3.018
  565    HB3  LEU  72           HB1      LEU  72  -5.544  19.810   1.822
  566    HG   LEU  72           HG       LEU  72  -6.003  16.869   1.301
  567   HD11  LEU  72          HD11      LEU  72  -7.663  19.254   0.669
  568   HD12  LEU  72          HD12      LEU  72  -7.922  18.230   2.104
  569   HD13  LEU  72          HD13      LEU  72  -8.095  17.554   0.468
  570   HD21  LEU  72          HD21      LEU  72  -5.679  19.126  -0.654
  571   HD22  LEU  72          HD22      LEU  72  -6.208  17.492  -1.046
  572   HD23  LEU  72          HD23      LEU  72  -4.577  17.764  -0.442
  573    HA   PRO  73           HA       PRO  73  -3.875  20.843   0.700
  574    HB2  PRO  73           HB2      PRO  73  -2.485  23.128   0.241
  575    HB3  PRO  73           HB1      PRO  73  -3.914  23.084   1.295
  576    HG2  PRO  73           HG2      PRO  73  -1.067  23.274   2.025
  577    HG3  PRO  73           HG1      PRO  73  -2.496  23.885   2.874
  578    HD2  PRO  73           HD2      PRO  73  -1.066  21.546   3.500
  579    HD3  PRO  73           HD1      PRO  73  -2.646  22.029   4.141
  580    H    ASP  74           HN       ASP  74  -3.140  19.996  -1.144
  581    HA   ASP  74           HA       ASP  74  -0.621  20.199  -2.310
  582    HB2  ASP  74           HB2      ASP  74   0.255  18.873  -0.453
  583    HB3  ASP  74           HB1      ASP  74  -0.972  17.642  -0.723
  584    H    MET  75           HN       MET  75  -3.153  17.842  -1.660
  585    HA   MET  75           HA       MET  75  -4.748  16.904  -2.918
  586    HB2  MET  75           HB2      MET  75  -3.935  19.029  -4.866
  587    HB3  MET  75           HB1      MET  75  -5.096  17.791  -5.325
  588    HG2  MET  75           HG2      MET  75  -6.608  18.455  -3.689
  589    HG3  MET  75           HG1      MET  75  -5.516  19.529  -2.869
  590    HE1  MET  75           HE1      MET  75  -6.284  18.993  -6.746
  591    HE2  MET  75           HE2      MET  75  -7.536  20.216  -6.974
  592    HE3  MET  75           HE3      MET  75  -7.818  18.854  -5.894
  593    H    ASN  76           HN       ASN  76  -1.805  16.072  -3.103
  594    HA   ASN  76           HA       ASN  76  -2.372  14.182  -5.249
  595    HB2  ASN  76           HB2      ASN  76   0.287  15.326  -4.404
  596    HB3  ASN  76           HB1      ASN  76   0.158  13.845  -5.339
  597   HD21  ASN  76          HD21      ASN  76  -2.131  14.823  -6.906
  598   HD22  ASN  76          HD22      ASN  76  -1.493  15.958  -8.008
  599    H    TRP  77           HN       TRP  77  -1.996  12.077  -4.898
  600    HA   TRP  77           HA       TRP  77  -1.922  11.228  -2.129
  601    HB2  TRP  77           HB2      TRP  77  -2.177   9.710  -4.721
  602    HB3  TRP  77           HB1      TRP  77  -2.195   8.973  -3.130
  603    HD1  TRP  77           HD1      TRP  77  -4.311  11.181  -5.427
  604    HE1  TRP  77           HE1      TRP  77  -6.758  10.996  -4.648
  605    HE3  TRP  77           HE3      TRP  77  -3.586   8.482  -1.207
  606    HZ2  TRP  77           HZ2      TRP  77  -8.183   9.877  -2.500
  607    HZ3  TRP  77           HZ3      TRP  77  -5.528   7.883   0.168
  608    HH2  TRP  77           HH2      TRP  77  -7.778   8.569  -0.465
  609    H    LYS  78           HN       LYS  78  -0.060  10.651  -1.197
  610    HA   LYS  78           HA       LYS  78   1.967   9.611  -2.995
  611    HB2  LYS  78           HB2      LYS  78   2.507  11.451  -0.684
  612    HB3  LYS  78           HB1      LYS  78   3.751  10.471  -1.436
  613    HG2  LYS  78           HG2      LYS  78   4.100  12.253  -2.726
  614    HG3  LYS  78           HG1      LYS  78   2.709  11.668  -3.601
  615    HD2  LYS  78           HD2      LYS  78   2.305  13.995  -3.201
  616    HD3  LYS  78           HD1      LYS  78   1.215  13.067  -2.166
  617    HE2  LYS  78           HE2      LYS  78   2.830  13.366  -0.295
  618    HE3  LYS  78           HE1      LYS  78   3.806  14.386  -1.344
  619    HZ1  LYS  78           HZ1      LYS  78   2.463  15.825  -0.065
  620    HZ2  LYS  78           HZ2      LYS  78   1.124  14.870  -0.270
  621    HZ3  LYS  78           HZ3      LYS  78   1.654  15.773  -1.564
  622    H    TRP  79           HN       TRP  79   3.438   8.221  -2.145
  623    HA   TRP  79           HA       TRP  79   2.132   6.400  -0.305
  624    HB2  TRP  79           HB2      TRP  79   4.781   5.839  -1.689
  625    HB3  TRP  79           HB1      TRP  79   3.600   4.766  -1.021
  626    HD1  TRP  79           HD1      TRP  79   3.967   7.103  -4.029
  627    HE1  TRP  79           HE1      TRP  79   2.599   6.126  -5.942
  628    HE3  TRP  79           HE3      TRP  79   1.775   3.269  -1.501
  629    HZ2  TRP  79           HZ2      TRP  79   0.754   3.991  -6.324
  630    HZ3  TRP  79           HZ3      TRP  79   0.207   1.817  -2.698
  631    HH2  TRP  79           HH2      TRP  79  -0.295   2.171  -5.044
  632    H    ILE  80           HN       ILE  80   3.837   5.233   1.113
  633    HA   ILE  80           HA       ILE  80   4.753   7.201   2.947
  634    HB   ILE  80           HB       ILE  80   5.500   5.330   4.341
  635   HG12  ILE  80          HG12      ILE  80   4.632   3.578   2.039
  636   HG13  ILE  80          HG11      ILE  80   6.311   3.944   2.417
  637   HG21  ILE  80          HG21      ILE  80   3.159   5.998   4.386
  638   HG22  ILE  80          HG22      ILE  80   3.283   4.242   4.557
  639   HG23  ILE  80          HG23      ILE  80   2.817   4.948   3.013
  640   HD11  ILE  80          HD11      ILE  80   6.043   2.819   4.596
  641   HD12  ILE  80          HD12      ILE  80   5.600   1.739   3.274
  642   HD13  ILE  80          HD13      ILE  80   4.352   2.505   4.229
  643    H    ASN  81           HN       ASN  81   6.259   5.697   0.294
  644    HA   ASN  81           HA       ASN  81   8.959   6.166   1.291
  645    HB2  ASN  81           HB2      ASN  81   9.768   5.254  -0.822
  646    HB3  ASN  81           HB1      ASN  81   8.504   4.197  -0.216
  647   HD21  ASN  81          HD21      ASN  81   9.548   4.611  -2.939
  648   HD22  ASN  81          HD22      ASN  81   8.190   4.993  -3.903
  649    H    GLY  82           HN       GLY  82   6.515   7.876   0.005
  650    HA2  GLY  82           HA2      GLY  82   6.514  10.188  -0.308
  651    HA3  GLY  82           HA1      GLY  82   8.250  10.146  -0.564
  652    H    SER  83           HN       SER  83   6.696   7.784  -2.422
  653    HA   SER  83           HA       SER  83   7.283   9.267  -4.820
  654    HB2  SER  83           HB2      SER  83   7.557   6.686  -4.440
  655    HB3  SER  83           HB1      SER  83   5.802   6.694  -4.728
  656    HG   SER  83           HG       SER  83   7.877   7.069  -6.474
  657    H    THR  84           HN       THR  84   5.588   9.254  -6.595
  658    HA   THR  84           HA       THR  84   3.108  10.326  -5.530
  659    HB   THR  84           HB       THR  84   3.917  10.149  -8.444
  660    HG1  THR  84           HG1      THR  84   4.992  11.660  -6.413
  661   HG21  THR  84          HG21      THR  84   1.571  10.748  -7.957
  662   HG22  THR  84          HG22      THR  84   2.438  12.114  -8.654
  663   HG23  THR  84          HG23      THR  84   2.117  12.065  -6.924
  664    H    LEU  85           HN       LEU  85   1.211   9.309  -5.733
  665    HA   LEU  85           HA       LEU  85   0.775   6.642  -6.301
  666    HB2  LEU  85           HB2      LEU  85  -0.904   7.869  -5.164
  667    HB3  LEU  85           HB1      LEU  85  -1.069   9.001  -6.491
  668    HG   LEU  85           HG       LEU  85  -1.973   7.131  -7.884
  669   HD11  LEU  85          HD11      LEU  85  -2.187   5.651  -5.293
  670   HD12  LEU  85          HD12      LEU  85  -1.008   5.314  -6.555
  671   HD13  LEU  85          HD13      LEU  85  -2.723   5.099  -6.889
  672   HD21  LEU  85          HD21      LEU  85  -4.194   7.143  -6.870
  673   HD22  LEU  85          HD22      LEU  85  -3.464   8.745  -6.867
  674   HD23  LEU  85          HD23      LEU  85  -3.510   7.793  -5.383
  675    H    ASN  86           HN       ASN  86   0.424   5.448  -8.091
  676    HA   ASN  86           HA       ASN  86   0.275   6.813 -10.654
  677    HB2  ASN  86           HB2      ASN  86   1.891   4.906 -10.441
  678    HB3  ASN  86           HB1      ASN  86   0.537   3.846 -10.062
  679   HD21  ASN  86          HD21      ASN  86   2.159   5.601 -12.526
  680   HD22  ASN  86          HD22      ASN  86   1.332   4.930 -13.876
  681    H    SER  87           HN       SER  87  -1.814   7.566 -10.631
  682    HA   SER  87           HA       SER  87  -4.009   6.029  -9.681
  683    HB2  SER  87           HB2      SER  87  -5.346   7.947 -10.617
  684    HB3  SER  87           HB1      SER  87  -4.091   8.411  -9.467
  685    HG   SER  87           HG       SER  87  -4.133   8.644 -12.261
  686    H    ASP  88           HN       ASP  88  -2.246   5.750 -12.403
  687    HA   ASP  88           HA       ASP  88  -4.279   5.360 -14.363
  688    HB2  ASP  88           HB2      ASP  88  -1.360   4.590 -14.388
  689    HB3  ASP  88           HB1      ASP  88  -2.443   4.382 -15.750
  690    H    VAL  89           HN       VAL  89  -2.996   3.376 -11.847
  691    HA   VAL  89           HA       VAL  89  -3.447   1.014 -13.328
  692    HB   VAL  89           HB       VAL  89  -2.979  -0.278 -11.279
  693   HG11  VAL  89          HG11      VAL  89  -0.950   1.906 -11.733
  694   HG12  VAL  89          HG12      VAL  89  -1.108   0.433 -12.672
  695   HG13  VAL  89          HG13      VAL  89  -0.640   0.344 -10.976
  696   HG21  VAL  89          HG21      VAL  89  -2.698   2.394  -9.955
  697   HG22  VAL  89          HG22      VAL  89  -2.309   0.814  -9.226
  698   HG23  VAL  89          HG23      VAL  89  -3.977   1.207  -9.697
  699    H    LEU  90           HN       LEU  90  -5.317   2.524 -10.640
  700    HA   LEU  90           HA       LEU  90  -7.626   0.996 -11.541
  701    HB2  LEU  90           HB2      LEU  90  -6.573   0.858  -8.721
  702    HB3  LEU  90           HB1      LEU  90  -8.119   0.241  -9.229
  703    HG   LEU  90           HG       LEU  90  -5.412  -0.788 -10.054
  704   HD11  LEU  90          HD11      LEU  90  -7.595  -2.015  -8.352
  705   HD12  LEU  90          HD12      LEU  90  -6.150  -1.251  -7.726
  706   HD13  LEU  90          HD13      LEU  90  -6.015  -2.734  -8.685
  707   HD21  LEU  90          HD21      LEU  90  -6.638  -2.645 -11.102
  708   HD22  LEU  90          HD22      LEU  90  -7.024  -1.094 -11.847
  709   HD23  LEU  90          HD23      LEU  90  -8.164  -1.844 -10.726
  710    H    LYS  91           HN       LYS  91  -9.423   1.475  -9.872
  711    HA   LYS  91           HA       LYS  91 -10.247   4.114  -9.986
  712    HB2  LYS  91           HB2      LYS  91 -11.943   2.573  -9.823
  713    HB3  LYS  91           HB1      LYS  91 -11.061   1.611  -8.656
  714    HG2  LYS  91           HG2      LYS  91 -13.232   2.576  -7.839
  715    HG3  LYS  91           HG1      LYS  91 -11.817   2.934  -6.859
  716    HD2  LYS  91           HD2      LYS  91 -11.791   5.123  -7.471
  717    HD3  LYS  91           HD1      LYS  91 -12.864   4.906  -8.893
  718    HE2  LYS  91           HE2      LYS  91 -13.606   4.560  -5.985
  719    HE3  LYS  91           HE1      LYS  91 -13.872   6.046  -6.899
  720    HZ1  LYS  91           HZ1      LYS  91 -15.823   4.575  -6.736
  721    HZ2  LYS  91           HZ2      LYS  91 -15.042   3.420  -7.692
  722    HZ3  LYS  91           HZ3      LYS  91 -15.387   4.947  -8.303
  723    H    ILE  92           HN       ILE  92  -8.823   5.567  -9.142
  724    HA   ILE  92           HA       ILE  92  -9.158   5.983  -6.301
  725    HB   ILE  92           HB       ILE  92  -6.385   6.453  -7.439
  726   HG12  ILE  92          HG12      ILE  92  -7.447   3.993  -6.038
  727   HG13  ILE  92          HG11      ILE  92  -6.573   4.090  -7.540
  728   HG21  ILE  92          HG21      ILE  92  -7.051   7.781  -5.516
  729   HG22  ILE  92          HG22      ILE  92  -5.785   6.641  -5.061
  730   HG23  ILE  92          HG23      ILE  92  -7.460   6.317  -4.621
  731   HD11  ILE  92          HD11      ILE  92  -4.550   4.754  -6.365
  732   HD12  ILE  92          HD12      ILE  92  -5.157   3.189  -5.798
  733   HD13  ILE  92          HD13      ILE  92  -5.436   4.653  -4.840
  734    H    THR  93           HN       THR  93 -10.161   7.819  -6.400
  735    HA   THR  93           HA       THR  93  -9.925   9.718  -8.490
  736    HB   THR  93           HB       THR  93 -10.937  10.231  -5.716
  737    HG1  THR  93           HG1      THR  93 -11.891   8.489  -7.712
  738   HG21  THR  93          HG21      THR  93 -10.980  12.072  -7.321
  739   HG22  THR  93          HG22      THR  93 -12.623  11.565  -6.923
  740   HG23  THR  93          HG23      THR  93 -11.894  11.082  -8.456
  741    H    GLY  94           HN       GLY  94  -8.544  11.620  -8.480
  742    HA2  GLY  94           HA2      GLY  94  -6.373  11.337  -6.637
  743    HA3  GLY  94           HA1      GLY  94  -6.421  12.374  -8.074
  744    H    ASP  95           HN       ASP  95  -8.559  13.813  -7.803
  745    HA   ASP  95           HA       ASP  95  -7.922  15.216  -5.417
  746    HB2  ASP  95           HB2      ASP  95  -9.026  17.202  -6.378
  747    HB3  ASP  95           HB1      ASP  95  -7.827  16.554  -7.491
  748    H    THR  96           HN       THR  96  -9.390  15.500  -3.820
  749    HA   THR  96           HA       THR  96 -12.163  14.803  -4.243
  750    HB   THR  96           HB       THR  96 -11.196  12.576  -3.944
  751    HG1  THR  96           HG1      THR  96 -13.255  13.143  -2.964
  752   HG21  THR  96          HG21      THR  96 -10.156  11.907  -1.801
  753   HG22  THR  96          HG22      THR  96 -10.203  13.596  -1.279
  754   HG23  THR  96          HG23      THR  96  -9.214  13.130  -2.654
  755    H    GLU  97           HN       GLU  97  -9.682  16.243  -2.349
  756    HA   GLU  97           HA       GLU  97  -9.604  17.682  -0.695
  757    HB2  GLU  97           HB2      GLU  97 -12.454  18.232  -1.498
  758    HB3  GLU  97           HB1      GLU  97 -11.492  19.266  -0.444
  759    HG2  GLU  97           HG2      GLU  97 -10.867  18.550  -3.290
  760    HG3  GLU  97           HG1      GLU  97 -11.437  20.117  -2.697
  761    H    ASN  98           HN       ASN  98 -10.060  15.126   0.081
  762    HA   ASN  98           HA       ASN  98 -11.663  15.447   2.501
  763    HB2  ASN  98           HB2      ASN  98 -11.241  13.060   0.740
  764    HB3  ASN  98           HB1      ASN  98 -11.724  12.870   2.413
  765   HD21  ASN  98          HD21      ASN  98 -13.126  12.300  -0.151
  766   HD22  ASN  98          HD22      ASN  98 -14.608  13.161  -0.033
  767    H    ASP  99           HN       ASP  99 -10.962  13.870   4.178
  768    HA   ASP  99           HA       ASP  99  -8.111  14.169   4.780
  769    HB2  ASP  99           HB2      ASP  99  -9.874  14.934   6.379
  770    HB3  ASP  99           HB1      ASP  99 -10.500  13.297   6.443
  771    H    SER 100           HN       SER 100  -8.983  12.344   2.824
  772    HA   SER 100           HA       SER 100  -9.406   9.748   3.947
  773    HB2  SER 100           HB2      SER 100  -9.380  10.811   1.171
  774    HB3  SER 100           HB1      SER 100  -9.767   9.152   1.587
  775    HG   SER 100           HG       SER 100 -11.083  10.862   3.164
  776    H    CYS 101           HN       CYS 101  -8.326   7.932   3.454
  777    HA   CYS 101           HA       CYS 101  -5.740   8.018   2.137
  778    HB2  CYS 101           HB2      CYS 101  -6.483   6.579   4.711
  779    HB3  CYS 101           HB1      CYS 101  -5.074   6.150   3.753
  780    H    ALA 102           HN       ALA 102  -5.355   5.943   1.017
  781    HA   ALA 102           HA       ALA 102  -7.951   4.983   0.119
  782    HB1  ALA 102           HB1      ALA 102  -5.273   4.557  -1.204
  783    HB2  ALA 102           HB2      ALA 102  -6.390   5.867  -1.570
  784    HB3  ALA 102           HB3      ALA 102  -6.858   4.210  -1.895
  785    H    ALA 103           HN       ALA 103  -8.546   2.890  -0.090
  786    HA   ALA 103           HA       ALA 103  -6.901   0.802   1.086
  787    HB1  ALA 103           HB1      ALA 103  -8.816   0.060   2.438
  788    HB2  ALA 103           HB2      ALA 103  -9.733   1.469   1.913
  789    HB3  ALA 103           HB3      ALA 103  -8.293   1.675   2.909
  790    H    ILE 104           HN       ILE 104  -7.367  -1.174   0.201
  791    HA   ILE 104           HA       ILE 104  -8.847  -1.319  -2.319
  792    HB   ILE 104           HB       ILE 104  -7.485  -3.357  -0.556
  793   HG12  ILE 104          HG12      ILE 104  -6.049  -1.734  -1.899
  794   HG13  ILE 104          HG11      ILE 104  -5.661  -3.443  -2.038
  795   HG21  ILE 104          HG21      ILE 104  -7.727  -5.046  -2.406
  796   HG22  ILE 104          HG22      ILE 104  -8.828  -3.927  -3.211
  797   HG23  ILE 104          HG23      ILE 104  -9.247  -4.593  -1.647
  798   HD11  ILE 104          HD11      ILE 104  -7.348  -1.956  -4.018
  799   HD12  ILE 104          HD12      ILE 104  -6.610  -3.575  -4.172
  800   HD13  ILE 104          HD13      ILE 104  -5.593  -2.133  -4.145
  801    H    SER 105           HN       SER 105 -10.965  -1.661  -2.382
  802    HA   SER 105           HA       SER 105 -12.165  -2.881  -0.033
  803    HB2  SER 105           HB2      SER 105 -13.262  -0.837  -1.041
  804    HB3  SER 105           HB1      SER 105 -13.573  -1.787  -2.498
  805    HG   SER 105           HG       SER 105 -14.371  -2.948  -0.121
  806    H    GLY 106           HN       GLY 106 -11.686  -3.273  -3.461
  807    HA2  GLY 106           HA2      GLY 106 -11.530  -6.073  -3.281
  808    HA3  GLY 106           HA1      GLY 106 -13.052  -5.547  -4.018
  809    H    ASP 107           HN       ASP 107 -13.049  -5.111  -6.084
  810    HA   ASP 107           HA       ASP 107 -10.620  -5.230  -7.639
  811    HB2  ASP 107           HB2      ASP 107 -13.350  -4.267  -8.564
  812    HB3  ASP 107           HB1      ASP 107 -11.972  -4.767  -9.535
  813    H    LYS 108           HN       LYS 108 -12.421  -2.906  -5.990
  814    HA   LYS 108           HA       LYS 108 -11.219  -0.693  -7.506
  815    HB2  LYS 108           HB2      LYS 108 -13.552  -0.538  -5.611
  816    HB3  LYS 108           HB1      LYS 108 -12.957   0.722  -6.670
  817    HG2  LYS 108           HG2      LYS 108 -14.425  -1.793  -7.439
  818    HG3  LYS 108           HG1      LYS 108 -14.944  -0.106  -7.538
  819    HD2  LYS 108           HD2      LYS 108 -13.266   0.338  -9.238
  820    HD3  LYS 108           HD1      LYS 108 -12.705  -1.335  -9.135
  821    HE2  LYS 108           HE2      LYS 108 -14.982  -2.078  -9.766
  822    HE3  LYS 108           HE1      LYS 108 -15.423  -0.389  -9.999
  823    HZ1  LYS 108           HZ1      LYS 108 -13.691  -0.249 -11.722
  824    HZ2  LYS 108           HZ2      LYS 108 -14.885  -1.360 -12.075
  825    HZ3  LYS 108           HZ3      LYS 108 -13.390  -1.905 -11.532
  826    H    VAL 109           HN       VAL 109 -10.403   1.029  -6.342
  827    HA   VAL 109           HA       VAL 109  -9.591   0.424  -3.601
  828    HB   VAL 109           HB       VAL 109  -8.489   2.541  -5.434
  829   HG11  VAL 109          HG11      VAL 109  -8.097   2.944  -3.087
  830   HG12  VAL 109          HG12      VAL 109  -6.572   2.567  -3.891
  831   HG13  VAL 109          HG13      VAL 109  -7.375   1.347  -2.899
  832   HG21  VAL 109          HG21      VAL 109  -6.528   1.108  -5.841
  833   HG22  VAL 109          HG22      VAL 109  -8.026   0.428  -6.492
  834   HG23  VAL 109          HG23      VAL 109  -7.342  -0.211  -4.995
  835    H    THR 110           HN       THR 110 -10.375   1.757  -2.098
  836    HA   THR 110           HA       THR 110 -11.946   4.050  -2.997
  837    HB   THR 110           HB       THR 110 -13.739   3.337  -1.404
  838    HG1  THR 110           HG1      THR 110 -11.790   1.665  -0.663
  839   HG21  THR 110          HG21      THR 110 -14.623   1.546  -2.851
  840   HG22  THR 110          HG22      THR 110 -12.967   1.193  -3.360
  841   HG23  THR 110          HG23      THR 110 -13.709   2.696  -3.872
  842    H    PHE 111           HN       PHE 111 -12.180   5.649  -1.260
  843    HA   PHE 111           HA       PHE 111 -10.113   5.254   0.741
  844    HB2  PHE 111           HB2      PHE 111  -9.454   7.672   0.360
  845    HB3  PHE 111           HB1      PHE 111  -8.978   6.515  -0.866
  846    HD1  PHE 111           HD2      PHE 111 -11.415   9.168  -0.078
  847    HD2  PHE 111           HD1      PHE 111  -9.669   6.732  -3.104
  848    HE1  PHE 111           HE2      PHE 111 -12.503  10.529  -1.793
  849    HE2  PHE 111           HE1      PHE 111 -10.768   8.094  -4.817
  850    HZ   PHE 111           HZ       PHE 111 -12.191   9.999  -4.158
  851    H    GLU 112           HN       GLU 112 -10.491   5.909   2.683
  852    HA   GLU 112           HA       GLU 112 -12.852   7.559   3.211
  853    HB2  GLU 112           HB2      GLU 112 -12.001   5.105   4.790
  854    HB3  GLU 112           HB1      GLU 112 -13.284   6.207   5.237
  855    HG2  GLU 112           HG2      GLU 112 -13.231   4.336   2.891
  856    HG3  GLU 112           HG1      GLU 112 -14.249   4.242   4.318
  857    H    SER 113           HN       SER 113 -12.677   8.314   5.580
  858    HA   SER 113           HA       SER 113 -10.403   9.780   6.133
  859    HB2  SER 113           HB2      SER 113 -12.328   8.508   8.051
  860    HB3  SER 113           HB1      SER 113 -11.369   9.969   8.317
  861    HG   SER 113           HG       SER 113 -12.482  10.931   6.618
  862    H    CYS 114           HN       CYS 114  -8.434   9.239   6.959
  863    HA   CYS 114           HA       CYS 114  -7.481   6.609   6.940
  864    HB2  CYS 114           HB2      CYS 114  -6.210   8.895   8.431
  865    HB3  CYS 114           HB1      CYS 114  -5.426   7.545   7.624
  866    H    ASN 115           HN       ASN 115  -9.024   8.353   9.411
  867    HA   ASN 115           HA       ASN 115  -8.032   6.859  11.659
  868    HB2  ASN 115           HB2      ASN 115  -9.658   8.094  12.967
  869    HB3  ASN 115           HB1      ASN 115  -8.772   9.178  11.899
  870   HD21  ASN 115          HD21      ASN 115  -9.846  10.202  10.238
  871   HD22  ASN 115          HD22      ASN 115 -11.564  10.214  10.114
  872    H    SER 116           HN       SER 116 -10.303   6.095   9.254
  873    HA   SER 116           HA       SER 116 -12.249   4.921  10.926
  874    HB2  SER 116           HB2      SER 116 -13.045   3.797   8.801
  875    HB3  SER 116           HB1      SER 116 -12.957   5.557   8.717
  876    HG   SER 116           HG       SER 116 -11.140   5.384   7.501
  877    H    ASP 117           HN       ASP 117 -12.647   2.799  11.359
  878    HA   ASP 117           HA       ASP 117 -10.235   1.337  11.882
  879    HB2  ASP 117           HB2      ASP 117 -12.067   1.635  13.560
  880    HB3  ASP 117           HB1      ASP 117 -13.101   0.641  12.541
  881    H    ASN 118           HN       ASN 118  -9.561   0.671   9.948
  882    HA   ASN 118           HA       ASN 118 -11.181  -1.364   8.585
  883    HB2  ASN 118           HB2      ASN 118  -9.632   0.888   7.337
  884    HB3  ASN 118           HB1      ASN 118  -9.822  -0.631   6.474
  885   HD21  ASN 118          HD21      ASN 118 -11.360   2.336   7.418
  886   HD22  ASN 118          HD22      ASN 118 -12.844   2.003   6.639
  887    H    ARG 119           HN       ARG 119  -9.709  -2.635   7.085
  888    HA   ARG 119           HA       ARG 119  -7.576  -3.644   8.804
  889    HB2  ARG 119           HB2      ARG 119  -8.749  -4.832   6.254
  890    HB3  ARG 119           HB1      ARG 119  -7.665  -5.601   7.373
  891    HG2  ARG 119           HG2      ARG 119  -9.355  -6.384   8.532
  892    HG3  ARG 119           HG1      ARG 119  -9.902  -4.741   8.854
  893    HD2  ARG 119           HD2      ARG 119 -10.589  -6.314   6.373
  894    HD3  ARG 119           HD1      ARG 119 -11.604  -6.213   7.809
  895    HE   ARG 119           HE       ARG 119 -10.858  -3.926   6.118
  896   HH11  ARG 119          HH11      ARG 119 -13.254  -5.667   8.093
  897   HH12  ARG 119          HH12      ARG 119 -14.449  -4.477   8.027
  898   HH21  ARG 119          HH21      ARG 119 -12.634  -2.138   6.077
  899   HH22  ARG 119          HH22      ARG 119 -14.067  -2.495   6.871
  900    H    TRP 120           HN       TRP 120  -5.635  -4.593   7.096
  901    HA   TRP 120           HA       TRP 120  -5.096  -2.504   5.173
  902    HB2  TRP 120           HB2      TRP 120  -3.143  -1.551   6.193
  903    HB3  TRP 120           HB1      TRP 120  -4.457  -1.452   7.357
  904    HD1  TRP 120           HD1      TRP 120  -1.009  -2.743   6.886
  905    HE1  TRP 120           HE1      TRP 120  -0.191  -3.921   8.955
  906    HE3  TRP 120           HE3      TRP 120  -5.432  -2.999   9.400
  907    HZ2  TRP 120           HZ2      TRP 120  -1.292  -4.897  11.411
  908    HZ3  TRP 120           HZ3      TRP 120  -5.458  -4.069  11.604
  909    HH2  TRP 120           HH2      TRP 120  -3.434  -4.996  12.585
  910    H    ILE 121           HN       ILE 121  -2.964  -2.757   4.109
  911    HA   ILE 121           HA       ILE 121  -2.128  -5.572   4.081
  912    HB   ILE 121           HB       ILE 121  -2.245  -3.628   1.749
  913   HG12  ILE 121          HG12      ILE 121  -3.801  -6.179   2.157
  914   HG13  ILE 121          HG11      ILE 121  -4.436  -4.594   2.569
  915   HG21  ILE 121          HG21      ILE 121  -1.539  -5.502   0.369
  916   HG22  ILE 121          HG22      ILE 121  -1.453  -6.549   1.785
  917   HG23  ILE 121          HG23      ILE 121  -0.332  -5.198   1.620
  918   HD11  ILE 121          HD11      ILE 121  -5.233  -5.393   0.394
  919   HD12  ILE 121          HD12      ILE 121  -3.556  -5.468  -0.173
  920   HD13  ILE 121          HD13      ILE 121  -4.276  -3.918   0.245
  921    H    CYS 122           HN       CYS 122  -0.100  -5.876   4.512
  922    HA   CYS 122           HA       CYS 122   1.851  -3.639   4.448
  923    HB2  CYS 122           HB2      CYS 122   1.976  -6.315   5.846
  924    HB3  CYS 122           HB1      CYS 122   3.229  -5.090   5.872
  925    H    GLN 123           HN       GLN 123   3.664  -3.864   3.151
  926    HA   GLN 123           HA       GLN 123   3.989  -6.510   2.000
  927    HB2  GLN 123           HB2      GLN 123   4.699  -5.713  -0.101
  928    HB3  GLN 123           HB1      GLN 123   3.247  -4.794   0.246
  929    HG2  GLN 123           HG2      GLN 123   4.484  -2.824   0.667
  930    HG3  GLN 123           HG1      GLN 123   6.000  -3.721   0.782
  931   HE21  GLN 123          HE21      GLN 123   7.029  -2.523  -0.841
  932   HE22  GLN 123          HE22      GLN 123   6.560  -2.657  -2.486
  933    H    LYS 124           HN       LYS 124   5.897  -7.293   2.160
  934    HA   LYS 124           HA       LYS 124   7.952  -5.536   3.287
  935    HB2  LYS 124           HB2      LYS 124   7.389  -7.610   4.649
  936    HB3  LYS 124           HB1      LYS 124   7.939  -8.572   3.277
  937    HG2  LYS 124           HG2      LYS 124  10.116  -7.374   3.399
  938    HG3  LYS 124           HG1      LYS 124   9.566  -6.636   4.889
  939    HD2  LYS 124           HD2      LYS 124   9.898  -9.601   4.434
  940    HD3  LYS 124           HD1      LYS 124  11.054  -8.511   5.240
  941    HE2  LYS 124           HE2      LYS 124   8.876  -8.103   6.757
  942    HE3  LYS 124           HE1      LYS 124   8.556  -9.744   6.125
  943    HZ1  LYS 124           HZ1      LYS 124  11.099  -9.004   7.411
  944    HZ2  LYS 124           HZ2      LYS 124  10.606 -10.539   6.990
  945    HZ3  LYS 124           HZ3      LYS 124   9.839  -9.704   8.248
  946    H    GLU 125           HN       GLU 125   9.092  -4.780   1.559
  947    HA   GLU 125           HA       GLU 125   9.342  -6.411  -0.737
  948    HB2  GLU 125           HB2      GLU 125   9.567  -3.903  -0.787
  949    HB3  GLU 125           HB1      GLU 125  11.087  -4.080   0.086
  950    HG2  GLU 125           HG2      GLU 125  12.102  -5.165  -1.754
  951    HG3  GLU 125           HG1      GLU 125  10.564  -5.329  -2.595
  952    H    LEU 126           HN       LEU 126  10.723  -7.902  -1.078
  953    HA   LEU 126           HA       LEU 126  11.639  -9.126   1.247
  954    HB2  LEU 126           HB2      LEU 126  10.567 -10.026  -0.823
  955    HB3  LEU 126           HB1      LEU 126  12.113 -10.010  -1.597
  956    HG   LEU 126           HG       LEU 126  12.899 -11.767  -0.258
  957   HD11  LEU 126          HD11      LEU 126  11.571 -12.611   1.646
  958   HD12  LEU 126          HD12      LEU 126  10.410 -11.301   1.386
  959   HD13  LEU 126          HD13      LEU 126  12.051 -10.935   1.947
  960   HD21  LEU 126          HD21      LEU 126   9.989 -12.118  -0.767
  961   HD22  LEU 126          HD22      LEU 126  11.226 -13.390  -0.702
  962   HD23  LEU 126          HD23      LEU 126  11.265 -12.147  -1.974
  963    H    TYR 127           HN       TYR 127  13.112  -7.241  -1.093
  964    HA   TYR 127           HA       TYR 127  15.746  -7.587   0.191
  965    HB2  TYR 127           HB2      TYR 127  14.941  -6.016  -2.264
  966    HB3  TYR 127           HB1      TYR 127  16.565  -6.005  -1.594
  967    HD1  TYR 127           HD2      TYR 127  13.977  -8.234  -3.138
  968    HD2  TYR 127           HD1      TYR 127  18.116  -7.603  -2.318
  969    HE1  TYR 127           HE2      TYR 127  14.558 -10.056  -4.606
  970    HE2  TYR 127           HE1      TYR 127  18.681  -9.460  -3.831
  971    HH   TYR 127           HH       TYR 127  17.650 -11.401  -4.791
  972    H    HIS 128           HN       HIS 128  15.372  -6.548   2.126
  973    HA   HIS 128           HA       HIS 128  14.622  -3.696   1.965
  974    HB2  HIS 128           HB2      HIS 128  12.719  -5.170   2.769
  975    HB3  HIS 128           HB1      HIS 128  13.718  -5.614   4.143
  976    HD1  HIS 128           HD1      HIS 128  13.215  -4.296   6.157
  977    HD2  HIS 128           HD2      HIS 128  12.317  -2.188   2.715
  978    HE1  HIS 128           HE1      HIS 128  12.233  -2.121   6.941
  979    HE2  HIS 128           HE2      HIS 128  11.926  -0.784   4.849
  980    H    GLU 129           HN       GLU 129  17.064  -5.343   2.196
  981    HA   GLU 129           HA       GLU 129  18.066  -4.951   4.831
  982    HB2  GLU 129           HB2      GLU 129  19.597  -5.783   2.356
  983    HB3  GLU 129           HB1      GLU 129  20.196  -5.851   3.998
  984    HG2  GLU 129           HG2      GLU 129  19.600  -8.069   3.307
  985    HG3  GLU 129           HG1      GLU 129  18.420  -7.539   4.503
  986    H    THR 130           HN       THR 130  17.597  -2.660   4.793
  987    HA   THR 130           HA       THR 130  19.608  -0.963   3.556
  988    HB   THR 130           HB       THR 130  17.650  -0.196   5.753
  989    HG1  THR 130           HG1      THR 130  16.063  -0.307   4.353
  990   HG21  THR 130          HG21      THR 130  18.844   1.373   3.453
  991   HG22  THR 130          HG22      THR 130  19.364   1.465   5.134
  992   HG23  THR 130          HG23      THR 130  17.749   2.016   4.680
  993    H    LEU 131           HN       LEU 131  19.149  -2.920   6.192
  994    HA   LEU 131           HA       LEU 131  21.574  -2.051   7.556
  995    HB2  LEU 131           HB2      LEU 131  19.061  -3.153   8.850
  996    HB3  LEU 131           HB1      LEU 131  20.542  -2.737   9.674
  997    HG   LEU 131           HG       LEU 131  18.659  -0.773   8.365
  998   HD11  LEU 131          HD11      LEU 131  17.704  -1.807  10.348
  999   HD12  LEU 131          HD12      LEU 131  18.132  -0.126  10.664
 1000   HD13  LEU 131          HD13      LEU 131  19.163  -1.425  11.264
 1001   HD21  LEU 131          HD21      LEU 131  20.984  -0.014   8.344
 1002   HD22  LEU 131          HD22      LEU 131  21.105  -0.327  10.075
 1003   HD23  LEU 131          HD23      LEU 131  20.015   0.925   9.479
 1004    H    SER 132           HN       SER 132  22.835  -3.902   7.998
 1005    HA   SER 132           HA       SER 132  21.874  -6.341   6.795
 1006    HB2  SER 132           HB2      SER 132  24.236  -5.621   6.440
 1007    HB3  SER 132           HB1      SER 132  24.537  -5.776   8.166
 1008    HG   SER 132           HG       SER 132  25.229  -7.626   7.159
 1009    H    ASN 133           HN       ASN 133  23.548  -5.855   9.897
 1010    HA   ASN 133           HA       ASN 133  21.373  -7.353  11.179
 1011    HB2  ASN 133           HB2      ASN 133  24.345  -7.480  11.865
 1012    HB3  ASN 133           HB1      ASN 133  23.064  -8.234  12.791
 1013   HD21  ASN 133          HD21      ASN 133  25.396  -9.365  11.350
 1014   HD22  ASN 133          HD22      ASN 133  24.758 -10.544  10.279
 1015    H    TYR 134           HN       TYR 134  24.082  -5.131  11.732
 1016    HA   TYR 134           HA       TYR 134  22.336  -3.368  13.187
 1017    HB2  TYR 134           HB2      TYR 134  23.855  -3.210  15.137
 1018    HB3  TYR 134           HB1      TYR 134  23.169  -4.822  14.987
 1019    HD1  TYR 134           HD1      TYR 134  24.612  -6.710  14.279
 1020    HD2  TYR 134           HD2      TYR 134  26.213  -2.824  14.913
 1021    HE1  TYR 134           HE1      TYR 134  26.875  -7.654  14.357
 1022    HE2  TYR 134           HE2      TYR 134  28.474  -3.758  14.990
 1023    HH   TYR 134           HH       TYR 134  29.522  -5.930  15.493
 1024    H    VAL 135           HN       VAL 135  23.382  -1.282  13.532
 1025    HA   VAL 135           HA       VAL 135  25.088  -0.579  11.306
 1026    HB   VAL 135           HB       VAL 135  24.015   1.160  13.548
 1027   HG11  VAL 135          HG11      VAL 135  24.540   3.057  12.122
 1028   HG12  VAL 135          HG12      VAL 135  25.227   1.977  10.909
 1029   HG13  VAL 135          HG13      VAL 135  25.997   2.133  12.488
 1030   HG21  VAL 135          HG21      VAL 135  22.234   0.186  12.188
 1031   HG22  VAL 135          HG22      VAL 135  23.015   0.788  10.729
 1032   HG23  VAL 135          HG23      VAL 135  22.368   1.921  11.915
 1033    H    GLY 136           HN       GLY 136  25.409  -0.819  14.800
 1034    HA2  GLY 136           HA2      GLY 136  27.395  -1.136  15.988
 1035    HA3  GLY 136           HA1      GLY 136  28.317  -0.650  14.558
 1036    H    TYR 137           HN       TYR 137  27.803   1.653  13.871
 1037    HA   TYR 137           HA       TYR 137  28.209   3.431  16.116
 1038    HB2  TYR 137           HB2      TYR 137  28.198   3.811  13.147
 1039    HB3  TYR 137           HB1      TYR 137  28.323   5.184  14.247
 1040    HD1  TYR 137           HD2      TYR 137  30.245   5.378  15.763
 1041    HD2  TYR 137           HD1      TYR 137  30.108   2.379  12.752
 1042    HE1  TYR 137           HE2      TYR 137  32.644   5.041  16.009
 1043    HE2  TYR 137           HE1      TYR 137  32.529   2.027  12.999
 1044    HH   TYR 137           HH       TYR 137  34.489   3.298  13.785
 1045    H    GLY 138           HN       GLY 138  25.667   2.051  15.279
 1046    HA2  GLY 138           HA2      GLY 138  23.939   4.346  15.900
 1047    HA3  GLY 138           HA1      GLY 138  23.420   3.080  14.781
 1048    H    HIS 139           HN       HIS 139  25.456   1.982  17.192
 1049    HA   HIS 139           HA       HIS 139  23.217   0.894  18.744
 1050    HB2  HIS 139           HB2      HIS 139  24.217  -0.889  17.359
 1051    HB3  HIS 139           HB1      HIS 139  25.816  -0.444  17.911
 1052    HD1  HIS 139           HD1      HIS 139  22.574  -1.761  19.525
 1053    HD2  HIS 139           HD2      HIS 139  26.703  -2.048  19.906
 1054    HE1  HIS 139           HE1      HIS 139  22.965  -3.449  21.303
 1055    HE2  HIS 139           HE2      HIS 139  25.427  -3.855  21.220
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   6.917 -16.325  -8.030
    2    H2   SER   1           HT2      SER   1   6.695 -16.122  -9.702
    3    H3   SER   1           HT3      SER   1   6.193 -14.922  -8.615
    4    HA   SER   1           HA       SER   1   8.967 -15.755  -9.024
    5    HB2  SER   1           HB2      SER   1   7.510 -13.295  -9.999
    6    HB3  SER   1           HB1      SER   1   9.225 -13.645 -10.221
    7    HG   SER   1           HG       SER   1   7.192 -14.390 -11.748
    8    H    ALA   2           HN       ALA   2   9.830 -15.585  -7.082
    9    HA   ALA   2           HA       ALA   2   9.276 -13.204  -5.469
   10    HB1  ALA   2           HB1      ALA   2  10.523 -15.854  -4.699
   11    HB2  ALA   2           HB2      ALA   2   8.885 -15.336  -4.301
   12    HB3  ALA   2           HB3      ALA   2  10.270 -14.494  -3.609
   13    H    LYS   3           HN       LYS   3  11.496 -12.865  -4.112
   14    HA   LYS   3           HA       LYS   3  13.633 -12.735  -6.124
   15    HB2  LYS   3           HB2      LYS   3  12.343 -10.570  -5.717
   16    HB3  LYS   3           HB1      LYS   3  13.082 -10.566  -4.127
   17    HG2  LYS   3           HG2      LYS   3  14.212  -9.125  -5.736
   18    HG3  LYS   3           HG1      LYS   3  15.283 -10.392  -5.111
   19    HD2  LYS   3           HD2      LYS   3  15.572 -10.015  -7.518
   20    HD3  LYS   3           HD1      LYS   3  14.992 -11.639  -7.179
   21    HE2  LYS   3           HE2      LYS   3  12.750 -11.018  -7.829
   22    HE3  LYS   3           HE1      LYS   3  13.226  -9.333  -8.023
   23    HZ1  LYS   3           HZ1      LYS   3  14.636  -9.950  -9.846
   24    HZ2  LYS   3           HZ2      LYS   3  13.113 -10.561 -10.151
   25    HZ3  LYS   3           HZ3      LYS   3  14.343 -11.582  -9.612
   26    H    LEU   4           HN       LEU   4  13.098 -12.082  -2.893
   27    HA   LEU   4           HA       LEU   4  15.180 -14.039  -2.111
   28    HB2  LEU   4           HB2      LEU   4  14.369 -11.555  -0.538
   29    HB3  LEU   4           HB1      LEU   4  15.445 -12.776   0.033
   30    HG   LEU   4           HG       LEU   4  17.113 -12.143  -1.697
   31   HD11  LEU   4          HD11      LEU   4  16.889 -10.034  -2.911
   32   HD12  LEU   4          HD12      LEU   4  15.221  -9.866  -2.352
   33   HD13  LEU   4          HD13      LEU   4  15.664 -11.203  -3.376
   34   HD21  LEU   4          HD21      LEU   4  17.254 -11.244   0.549
   35   HD22  LEU   4          HD22      LEU   4  16.194  -9.909   0.100
   36   HD23  LEU   4          HD23      LEU   4  17.791 -10.052  -0.632
   37    H    GLU   5           HN       GLU   5  14.557 -14.519   0.476
   38    HA   GLU   5           HA       GLU   5  11.842 -15.512   0.205
   39    HB2  GLU   5           HB2      GLU   5  14.009 -16.293   2.138
   40    HB3  GLU   5           HB1      GLU   5  12.375 -16.931   2.175
   41    HG2  GLU   5           HG2      GLU   5  12.696 -17.809  -0.103
   42    HG3  GLU   5           HG1      GLU   5  14.370 -17.250  -0.048
   43    H    CYS   6           HN       CYS   6  10.281 -15.143   1.608
   44    HA   CYS   6           HA       CYS   6  10.720 -13.092   3.632
   45    HB2  CYS   6           HB2      CYS   6   8.433 -12.247   2.955
   46    HB3  CYS   6           HB1      CYS   6   9.641 -12.058   1.699
   47    HA   PRO   7           HA       PRO   7   8.500 -15.635   6.509
   48    HB2  PRO   7           HB2      PRO   7   6.356 -13.564   6.771
   49    HB3  PRO   7           HB1      PRO   7   7.373 -14.281   8.038
   50    HG2  PRO   7           HG2      PRO   7   7.929 -11.821   7.267
   51    HG3  PRO   7           HG1      PRO   7   9.230 -13.012   7.452
   52    HD2  PRO   7           HD2      PRO   7   7.863 -12.133   4.970
   53    HD3  PRO   7           HD1      PRO   7   9.601 -12.237   5.313
   54    H    GLN   8           HN       GLN   8   6.723 -17.006   6.800
   55    HA   GLN   8           HA       GLN   8   5.798 -18.111   4.418
   56    HB2  GLN   8           HB2      GLN   8   4.528 -19.678   5.835
   57    HB3  GLN   8           HB1      GLN   8   6.216 -19.497   6.290
   58    HG2  GLN   8           HG2      GLN   8   5.576 -18.037   8.133
   59    HG3  GLN   8           HG1      GLN   8   3.887 -18.161   7.659
   60   HE21  GLN   8          HE21      GLN   8   6.085 -20.891   7.557
   61   HE22  GLN   8          HE22      GLN   8   5.365 -21.733   8.864
   62    H    ASP   9           HN       ASP   9   4.092 -15.861   6.498
   63    HA   ASP   9           HA       ASP   9   1.517 -16.532   5.276
   64    HB2  ASP   9           HB2      ASP   9   2.168 -14.430   7.359
   65    HB3  ASP   9           HB1      ASP   9   0.554 -14.883   6.841
   66    H    TRP  10           HN       TRP  10   3.967 -14.985   4.122
   67    HA   TRP  10           HA       TRP  10   2.496 -12.637   3.181
   68    HB2  TRP  10           HB2      TRP  10   5.482 -13.083   3.456
   69    HB3  TRP  10           HB1      TRP  10   4.742 -11.646   2.763
   70    HD1  TRP  10           HD1      TRP  10   4.501 -13.535   6.160
   71    HE1  TRP  10           HE1      TRP  10   4.445 -11.780   8.037
   72    HE3  TRP  10           HE3      TRP  10   4.593  -9.317   3.308
   73    HZ2  TRP  10           HZ2      TRP  10   4.420  -8.988   8.268
   74    HZ3  TRP  10           HZ3      TRP  10   4.543  -7.145   4.439
   75    HH2  TRP  10           HH2      TRP  10   4.457  -6.982   6.860
   76    H    LEU  11           HN       LEU  11   2.133 -12.464   1.074
   77    HA   LEU  11           HA       LEU  11   2.904 -14.681  -0.716
   78    HB2  LEU  11           HB2      LEU  11   1.199 -12.270  -1.373
   79    HB3  LEU  11           HB1      LEU  11   1.386 -13.725  -2.324
   80    HG   LEU  11           HG       LEU  11  -0.729 -13.888  -1.443
   81   HD11  LEU  11          HD11      LEU  11   0.402 -15.959  -1.195
   82   HD12  LEU  11          HD12      LEU  11  -0.735 -15.739   0.133
   83   HD13  LEU  11          HD13      LEU  11   0.990 -15.496   0.401
   84   HD21  LEU  11          HD21      LEU  11   0.302 -13.073   1.272
   85   HD22  LEU  11          HD22      LEU  11  -1.375 -13.464   0.872
   86   HD23  LEU  11          HD23      LEU  11  -0.595 -12.053   0.150
   87    H    SER  12           HN       SER  12   4.548 -14.694  -1.823
   88    HA   SER  12           HA       SER  12   6.245 -12.428  -1.982
   89    HB2  SER  12           HB2      SER  12   6.565 -15.087  -3.330
   90    HB3  SER  12           HB1      SER  12   7.815 -13.969  -2.657
   91    HG   SER  12           HG       SER  12   6.989 -14.450  -0.617
   92    H    HIS  13           HN       HIS  13   6.209 -10.950  -3.650
   93    HA   HIS  13           HA       HIS  13   5.579 -11.875  -6.340
   94    HB2  HIS  13           HB2      HIS  13   3.431 -11.036  -5.380
   95    HB3  HIS  13           HB1      HIS  13   4.198  -9.481  -5.106
   96    HD1  HIS  13           HD1      HIS  13   3.680  -7.764  -6.981
   97    HD2  HIS  13           HD2      HIS  13   3.590 -11.714  -8.325
   98    HE1  HIS  13           HE1      HIS  13   2.926  -7.660  -9.296
   99    HE2  HIS  13           HE2      HIS  13   3.390  -9.917 -10.171
  100    H    ARG  14           HN       ARG  14   7.333 -11.363  -7.386
  101    HA   ARG  14           HA       ARG  14   8.856 -10.167  -8.487
  102    HB2  ARG  14           HB2      ARG  14   7.511  -7.750  -7.258
  103    HB3  ARG  14           HB1      ARG  14   8.844  -7.646  -8.395
  104    HG2  ARG  14           HG2      ARG  14   7.513  -8.624 -10.131
  105    HG3  ARG  14           HG1      ARG  14   6.217  -8.980  -8.992
  106    HD2  ARG  14           HD2      ARG  14   5.693  -7.028 -10.334
  107    HD3  ARG  14           HD1      ARG  14   5.843  -6.615  -8.636
  108    HE   ARG  14           HE       ARG  14   8.316  -6.084  -9.642
  109   HH11  ARG  14          HH11      ARG  14   5.064  -5.085 -10.595
  110   HH12  ARG  14          HH12      ARG  14   5.517  -3.549 -11.177
  111   HH21  ARG  14          HH21      ARG  14   8.974  -3.929 -10.460
  112   HH22  ARG  14          HH22      ARG  14   7.797  -2.907 -11.134
  113    H    ASP  15           HN       ASP  15   8.777  -7.995  -5.758
  114    HA   ASP  15           HA       ASP  15  11.262  -9.080  -4.645
  115    HB2  ASP  15           HB2      ASP  15  12.378  -6.894  -4.761
  116    HB3  ASP  15           HB1      ASP  15  12.018  -7.499  -6.369
  117    H    LYS  16           HN       LYS  16   8.289  -8.595  -3.949
  118    HA   LYS  16           HA       LYS  16   8.859  -7.685  -1.259
  119    HB2  LYS  16           HB2      LYS  16   6.368  -6.662  -2.658
  120    HB3  LYS  16           HB1      LYS  16   6.876  -6.325  -1.037
  121    HG2  LYS  16           HG2      LYS  16   7.319  -4.320  -2.089
  122    HG3  LYS  16           HG1      LYS  16   8.890  -5.110  -2.133
  123    HD2  LYS  16           HD2      LYS  16   8.425  -4.082  -4.276
  124    HD3  LYS  16           HD1      LYS  16   8.417  -5.839  -4.446
  125    HE2  LYS  16           HE2      LYS  16   6.545  -4.983  -5.699
  126    HE3  LYS  16           HE1      LYS  16   5.951  -5.761  -4.234
  127    HZ1  LYS  16           HZ1      LYS  16   5.451  -3.667  -3.251
  128    HZ2  LYS  16           HZ2      LYS  16   4.870  -3.698  -4.834
  129    HZ3  LYS  16           HZ3      LYS  16   6.273  -2.839  -4.489
  130    H    CYS  17           HN       CYS  17   7.200  -8.450   0.208
  131    HA   CYS  17           HA       CYS  17   5.403 -10.409  -0.999
  132    HB2  CYS  17           HB2      CYS  17   6.918 -10.673   1.607
  133    HB3  CYS  17           HB1      CYS  17   5.651 -11.765   1.046
  134    H    PHE  18           HN       PHE  18   3.349 -10.526  -0.099
  135    HA   PHE  18           HA       PHE  18   2.639  -8.022   1.306
  136    HB2  PHE  18           HB2      PHE  18   0.895  -9.735  -0.445
  137    HB3  PHE  18           HB1      PHE  18   0.527  -8.124   0.138
  138    HD1  PHE  18           HD2      PHE  18   2.934  -6.613  -0.464
  139    HD2  PHE  18           HD1      PHE  18   1.055  -9.685  -2.711
  140    HE1  PHE  18           HE2      PHE  18   3.953  -5.717  -2.513
  141    HE2  PHE  18           HE1      PHE  18   2.078  -8.798  -4.773
  142    HZ   PHE  18           HZ       PHE  18   3.528  -6.811  -4.672
  143    H    HIS  19           HN       HIS  19   1.291  -8.064   3.006
  144    HA   HIS  19           HA       HIS  19   0.267 -10.673   3.955
  145    HB2  HIS  19           HB2      HIS  19   2.122  -9.540   5.437
  146    HB3  HIS  19           HB1      HIS  19   0.902  -8.327   5.731
  147    HD1  HIS  19           HD1      HIS  19  -0.928  -8.850   7.495
  148    HD2  HIS  19           HD2      HIS  19   1.508 -12.101   6.523
  149    HE1  HIS  19           HE1      HIS  19  -1.397 -10.581   9.196
  150    HE2  HIS  19           HE2      HIS  19   0.386 -12.311   8.800
  151    H    VAL  20           HN       VAL  20  -1.861 -10.586   3.483
  152    HA   VAL  20           HA       VAL  20  -3.349  -8.097   3.628
  153    HB   VAL  20           HB       VAL  20  -4.338 -10.926   3.115
  154   HG11  VAL  20          HG11      VAL  20  -6.350  -9.849   2.209
  155   HG12  VAL  20          HG12      VAL  20  -5.706  -8.271   2.662
  156   HG13  VAL  20          HG13      VAL  20  -6.111  -9.447   3.910
  157   HG21  VAL  20          HG21      VAL  20  -4.388 -10.303   0.754
  158   HG22  VAL  20          HG22      VAL  20  -2.748 -10.182   1.404
  159   HG23  VAL  20          HG23      VAL  20  -3.717  -8.725   1.158
  160    H    SER  21           HN       SER  21  -3.324  -7.513   5.762
  161    HA   SER  21           HA       SER  21  -3.905  -9.393   7.834
  162    HB2  SER  21           HB2      SER  21  -3.775  -6.382   8.003
  163    HB3  SER  21           HB1      SER  21  -3.518  -7.548   9.300
  164    HG   SER  21           HG       SER  21  -1.762  -6.471   7.760
  165    H    GLN  22           HN       GLN  22  -5.965 -10.122   7.884
  166    HA   GLN  22           HA       GLN  22  -8.260  -8.575   7.081
  167    HB2  GLN  22           HB2      GLN  22  -7.976 -11.330   8.264
  168    HB3  GLN  22           HB1      GLN  22  -9.533 -10.608   7.933
  169    HG2  GLN  22           HG2      GLN  22  -7.407 -11.096   5.856
  170    HG3  GLN  22           HG1      GLN  22  -8.748 -12.187   6.186
  171   HE21  GLN  22          HE21      GLN  22 -10.642  -9.928   6.619
  172   HE22  GLN  22          HE22      GLN  22 -10.984  -9.299   5.066
  173    H    VAL  23           HN       VAL  23  -6.647  -7.889   9.517
  174    HA   VAL  23           HA       VAL  23  -8.878  -7.736  11.414
  175    HB   VAL  23           HB       VAL  23  -7.097  -7.251  13.201
  176   HG11  VAL  23          HG11      VAL  23  -7.078  -9.962  11.875
  177   HG12  VAL  23          HG12      VAL  23  -8.238  -9.386  13.078
  178   HG13  VAL  23          HG13      VAL  23  -6.547  -9.626  13.526
  179   HG21  VAL  23          HG21      VAL  23  -4.823  -8.067  12.761
  180   HG22  VAL  23          HG22      VAL  23  -5.238  -6.731  11.687
  181   HG23  VAL  23          HG23      VAL  23  -5.263  -8.386  11.083
  182    H    SER  24           HN       SER  24  -8.889  -5.622  12.667
  183    HA   SER  24           HA       SER  24  -8.349  -3.635  10.596
  184    HB2  SER  24           HB2      SER  24 -10.576  -3.707  12.604
  185    HB3  SER  24           HB1      SER  24 -10.306  -2.404  11.445
  186    HG   SER  24           HG       SER  24 -10.905  -5.121  10.921
  187    H    ASN  25           HN       ASN  25  -7.993  -1.474  11.101
  188    HA   ASN  25           HA       ASN  25  -7.191  -0.417  13.620
  189    HB2  ASN  25           HB2      ASN  25  -5.259  -1.419  11.627
  190    HB3  ASN  25           HB1      ASN  25  -4.881   0.136  12.374
  191   HD21  ASN  25          HD21      ASN  25  -3.266  -2.024  12.575
  192   HD22  ASN  25          HD22      ASN  25  -3.228  -2.629  14.176
  193    H    THR  26           HN       THR  26  -6.257   1.887  13.070
  194    HA   THR  26           HA       THR  26  -7.693   2.984  10.828
  195    HB   THR  26           HB       THR  26  -6.617   5.114  11.502
  196    HG1  THR  26           HG1      THR  26  -5.480   4.355  13.837
  197   HG21  THR  26          HG21      THR  26  -8.698   4.368  12.646
  198   HG22  THR  26          HG22      THR  26  -7.691   5.388  13.648
  199   HG23  THR  26          HG23      THR  26  -7.707   3.639  13.914
  200    H    TRP  27           HN       TRP  27  -6.177   4.576   9.448
  201    HA   TRP  27           HA       TRP  27  -4.498   2.895   7.955
  202    HB2  TRP  27           HB2      TRP  27  -5.639   4.946   7.074
  203    HB3  TRP  27           HB1      TRP  27  -4.491   5.912   7.993
  204    HD1  TRP  27           HD1      TRP  27  -4.734   3.748   4.875
  205    HE1  TRP  27           HE1      TRP  27  -2.670   4.152   3.425
  206    HE3  TRP  27           HE3      TRP  27  -2.083   6.558   8.113
  207    HZ2  TRP  27           HZ2      TRP  27  -0.180   5.539   3.644
  208    HZ3  TRP  27           HZ3      TRP  27   0.096   7.396   7.502
  209    HH2  TRP  27           HH2      TRP  27   1.066   6.902   5.275
  210    H    GLU  28           HN       GLU  28  -3.701   5.537  10.213
  211    HA   GLU  28           HA       GLU  28  -0.958   4.999   9.995
  212    HB2  GLU  28           HB2      GLU  28  -2.433   6.831  11.868
  213    HB3  GLU  28           HB1      GLU  28  -0.681   6.605  11.995
  214    HG2  GLU  28           HG2      GLU  28  -0.546   7.279   9.582
  215    HG3  GLU  28           HG1      GLU  28  -2.270   7.624   9.670
  216    H    GLU  29           HN       GLU  29  -3.318   3.715  12.204
  217    HA   GLU  29           HA       GLU  29  -1.383   2.481  13.862
  218    HB2  GLU  29           HB2      GLU  29  -4.268   2.043  13.393
  219    HB3  GLU  29           HB1      GLU  29  -3.368   0.668  14.008
  220    HG2  GLU  29           HG2      GLU  29  -4.355   1.828  15.805
  221    HG3  GLU  29           HG1      GLU  29  -2.614   2.044  15.892
  222    H    GLY  30           HN       GLY  30  -3.075   1.277  10.959
  223    HA2  GLY  30           HA2      GLY  30  -1.780  -1.236  10.865
  224    HA3  GLY  30           HA1      GLY  30  -2.494  -0.435   9.494
  225    H    LEU  31           HN       LEU  31  -0.901   1.894   9.662
  226    HA   LEU  31           HA       LEU  31   1.306   1.359   8.108
  227    HB2  LEU  31           HB2      LEU  31   0.204   3.562   8.423
  228    HB3  LEU  31           HB1      LEU  31   0.807   3.634  10.051
  229    HG   LEU  31           HG       LEU  31   1.922   5.163   8.438
  230   HD11  LEU  31          HD11      LEU  31   3.084   4.582  10.466
  231   HD12  LEU  31          HD12      LEU  31   4.210   4.764   9.122
  232   HD13  LEU  31          HD13      LEU  31   3.768   3.154   9.688
  233   HD21  LEU  31          HD21      LEU  31   2.974   2.619   7.259
  234   HD22  LEU  31          HD22      LEU  31   3.575   4.235   6.898
  235   HD23  LEU  31          HD23      LEU  31   1.915   3.793   6.477
  236    H    VAL  32           HN       VAL  32   1.177   2.006  11.625
  237    HA   VAL  32           HA       VAL  32   3.924   1.453  12.081
  238    HB   VAL  32           HB       VAL  32   1.648   1.575  14.097
  239   HG11  VAL  32          HG11      VAL  32   3.598   0.395  15.007
  240   HG12  VAL  32          HG12      VAL  32   3.382   1.966  15.782
  241   HG13  VAL  32          HG13      VAL  32   4.631   1.751  14.556
  242   HG21  VAL  32          HG21      VAL  32   1.913   3.652  12.867
  243   HG22  VAL  32          HG22      VAL  32   3.637   3.671  13.235
  244   HG23  VAL  32          HG23      VAL  32   2.459   3.848  14.532
  245    H    ASP  33           HN       ASP  33   1.040  -0.507  12.153
  246    HA   ASP  33           HA       ASP  33   2.155  -2.771  13.387
  247    HB2  ASP  33           HB2      ASP  33  -0.223  -2.307  11.685
  248    HB3  ASP  33           HB1      ASP  33   0.323  -3.966  11.810
  249    H    CYS  34           HN       CYS  34   2.195  -1.735  10.047
  250    HA   CYS  34           HA       CYS  34   3.485  -4.059   9.073
  251    HB2  CYS  34           HB2      CYS  34   3.493  -1.242   7.987
  252    HB3  CYS  34           HB1      CYS  34   4.095  -2.639   7.110
  253    H    ASP  35           HN       ASP  35   4.682  -0.977  10.329
  254    HA   ASP  35           HA       ASP  35   7.438  -1.338   9.977
  255    HB2  ASP  35           HB2      ASP  35   5.843   0.130  12.076
  256    HB3  ASP  35           HB1      ASP  35   7.588   0.015  12.205
  257    H    GLY  36           HN       GLY  36   5.234  -2.481  12.393
  258    HA2  GLY  36           HA2      GLY  36   7.009  -3.599  14.249
  259    HA3  GLY  36           HA1      GLY  36   5.338  -4.083  14.009
  260    H    LYS  37           HN       LYS  37   6.286  -4.729  11.077
  261    HA   LYS  37           HA       LYS  37   7.386  -7.361  11.783
  262    HB2  LYS  37           HB2      LYS  37   5.872  -6.525   9.315
  263    HB3  LYS  37           HB1      LYS  37   6.665  -8.076   9.475
  264    HG2  LYS  37           HG2      LYS  37   4.740  -8.846  10.298
  265    HG3  LYS  37           HG1      LYS  37   5.050  -7.861  11.722
  266    HD2  LYS  37           HD2      LYS  37   3.949  -5.992  10.702
  267    HD3  LYS  37           HD1      LYS  37   3.616  -6.958   9.251
  268    HE2  LYS  37           HE2      LYS  37   1.635  -6.898  10.636
  269    HE3  LYS  37           HE1      LYS  37   2.309  -8.520  10.612
  270    HZ1  LYS  37           HZ1      LYS  37   3.325  -8.078  12.800
  271    HZ2  LYS  37           HZ2      LYS  37   1.673  -7.884  12.865
  272    HZ3  LYS  37           HZ3      LYS  37   2.664  -6.532  12.806
  273    H    GLY  38           HN       GLY  38   8.518  -4.478  10.907
  274    HA2  GLY  38           HA2      GLY  38  10.422  -3.779   9.849
  275    HA3  GLY  38           HA1      GLY  38  10.834  -5.471   9.556
  276    H    ALA  39           HN       ALA  39   7.844  -4.035   8.650
  277    HA   ALA  39           HA       ALA  39   8.441  -4.465   5.817
  278    HB1  ALA  39           HB1      ALA  39   5.835  -4.764   7.307
  279    HB2  ALA  39           HB2      ALA  39   6.866  -6.085   6.779
  280    HB3  ALA  39           HB3      ALA  39   6.077  -5.049   5.580
  281    H    THR  40           HN       THR  40   6.651  -3.091   4.539
  282    HA   THR  40           HA       THR  40   6.230  -0.559   5.901
  283    HB   THR  40           HB       THR  40   6.349   0.267   3.391
  284    HG1  THR  40           HG1      THR  40   7.569  -1.002   2.073
  285   HG21  THR  40          HG21      THR  40   7.835   1.050   5.172
  286   HG22  THR  40          HG22      THR  40   8.758   0.761   3.696
  287   HG23  THR  40          HG23      THR  40   8.809  -0.410   5.017
  288    H    LEU  41           HN       LEU  41   4.219   0.469   5.380
  289    HA   LEU  41           HA       LEU  41   2.070  -1.287   4.815
  290    HB2  LEU  41           HB2      LEU  41   1.954   0.848   6.163
  291    HB3  LEU  41           HB1      LEU  41   2.072   1.743   4.667
  292    HG   LEU  41           HG       LEU  41  -0.092   0.765   3.951
  293   HD11  LEU  41          HD11      LEU  41  -1.517  -0.339   5.596
  294   HD12  LEU  41          HD12      LEU  41  -0.196  -0.348   6.756
  295   HD13  LEU  41          HD13      LEU  41  -0.070  -1.288   5.269
  296   HD21  LEU  41          HD21      LEU  41  -0.142   2.191   6.594
  297   HD22  LEU  41          HD22      LEU  41  -1.481   2.085   5.452
  298   HD23  LEU  41          HD23      LEU  41  -0.008   2.949   5.010
  299    H    MET  42           HN       MET  42   1.177  -1.863   2.946
  300    HA   MET  42           HA       MET  42   2.475  -2.374   0.741
  301    HB2  MET  42           HB2      MET  42   0.283  -3.228   1.125
  302    HB3  MET  42           HB1      MET  42  -0.432  -1.656   0.808
  303    HG2  MET  42           HG2      MET  42  -0.733  -3.172  -1.070
  304    HG3  MET  42           HG1      MET  42   0.263  -1.805  -1.546
  305    HE1  MET  42           HE1      MET  42   1.861  -4.511  -3.739
  306    HE2  MET  42           HE2      MET  42   1.355  -2.823  -3.627
  307    HE3  MET  42           HE3      MET  42   0.164  -4.103  -3.446
  308    H    LEU  43           HN       LEU  43   3.491  -1.529  -0.850
  309    HA   LEU  43           HA       LEU  43   2.873   1.175  -1.879
  310    HB2  LEU  43           HB2      LEU  43   5.482  -0.379  -1.933
  311    HB3  LEU  43           HB1      LEU  43   5.222   1.149  -2.736
  312    HG   LEU  43           HG       LEU  43   6.496   1.639  -0.856
  313   HD11  LEU  43          HD11      LEU  43   3.679   2.255  -0.096
  314   HD12  LEU  43          HD12      LEU  43   4.743   3.175  -1.163
  315   HD13  LEU  43          HD13      LEU  43   5.132   3.028   0.552
  316   HD21  LEU  43          HD21      LEU  43   4.615   0.049   0.872
  317   HD22  LEU  43          HD22      LEU  43   6.050   0.937   1.406
  318   HD23  LEU  43          HD23      LEU  43   6.219  -0.467   0.350
  319    H    ILE  44           HN       ILE  44   1.669   0.834  -3.643
  320    HA   ILE  44           HA       ILE  44   1.860  -1.612  -5.202
  321    HB   ILE  44           HB       ILE  44   0.058   0.789  -5.608
  322   HG12  ILE  44          HG12      ILE  44  -0.596  -1.805  -4.195
  323   HG13  ILE  44          HG11      ILE  44  -0.179  -0.317  -3.355
  324   HG21  ILE  44          HG21      ILE  44  -0.168  -2.044  -6.629
  325   HG22  ILE  44          HG22      ILE  44   0.290  -0.637  -7.584
  326   HG23  ILE  44          HG23      ILE  44  -1.334  -0.747  -6.906
  327   HD11  ILE  44          HD11      ILE  44  -2.182   0.758  -4.321
  328   HD12  ILE  44          HD12      ILE  44  -2.589  -0.705  -3.427
  329   HD13  ILE  44          HD13      ILE  44  -2.502  -0.736  -5.185
  330    H    GLN  45           HN       GLN  45   3.258  -1.738  -6.789
  331    HA   GLN  45           HA       GLN  45   4.399   0.616  -7.991
  332    HB2  GLN  45           HB2      GLN  45   4.785  -2.296  -8.693
  333    HB3  GLN  45           HB1      GLN  45   5.733  -0.963  -9.326
  334    HG2  GLN  45           HG2      GLN  45   5.618  -1.861  -6.454
  335    HG3  GLN  45           HG1      GLN  45   6.929  -2.168  -7.587
  336   HE21  GLN  45          HE21      GLN  45   8.275  -0.463  -8.170
  337   HE22  GLN  45          HE22      GLN  45   8.360   1.006  -7.274
  338    H    ASP  46           HN       ASP  46   2.411  -2.101  -9.207
  339    HA   ASP  46           HA       ASP  46   1.673  -0.469 -11.532
  340    HB2  ASP  46           HB2      ASP  46   2.720  -3.304 -11.700
  341    HB3  ASP  46           HB1      ASP  46   2.029  -2.381 -13.025
  342    H    GLN  47           HN       GLN  47   0.094  -1.998 -12.919
  343    HA   GLN  47           HA       GLN  47  -2.246  -2.289 -11.331
  344    HB2  GLN  47           HB2      GLN  47  -1.782  -1.825 -13.950
  345    HB3  GLN  47           HB1      GLN  47  -2.015  -3.560 -14.021
  346    HG2  GLN  47           HG2      GLN  47  -3.995  -1.461 -13.153
  347    HG3  GLN  47           HG1      GLN  47  -4.076  -2.503 -14.563
  348   HE21  GLN  47          HE21      GLN  47  -4.638  -2.176 -11.218
  349   HE22  GLN  47          HE22      GLN  47  -5.454  -3.673 -10.964
  350    H    GLU  48           HN       GLU  48   0.072  -4.462 -12.824
  351    HA   GLU  48           HA       GLU  48  -1.069  -6.942 -12.300
  352    HB2  GLU  48           HB2      GLU  48   1.849  -6.212 -12.390
  353    HB3  GLU  48           HB1      GLU  48   1.190  -7.839 -12.532
  354    HG2  GLU  48           HG2      GLU  48   0.060  -7.237 -14.572
  355    HG3  GLU  48           HG1      GLU  48   0.620  -5.575 -14.422
  356    H    GLU  49           HN       GLU  49   0.676  -4.800 -10.170
  357    HA   GLU  49           HA       GLU  49   1.265  -6.552  -8.048
  358    HB2  GLU  49           HB2      GLU  49   0.545  -3.626  -8.119
  359    HB3  GLU  49           HB1      GLU  49   1.004  -4.453  -6.639
  360    HG2  GLU  49           HG2      GLU  49   2.823  -4.516  -9.008
  361    HG3  GLU  49           HG1      GLU  49   2.745  -3.095  -7.959
  362    H    LEU  50           HN       LEU  50  -1.522  -4.422  -8.601
  363    HA   LEU  50           HA       LEU  50  -2.885  -5.469  -6.369
  364    HB2  LEU  50           HB2      LEU  50  -3.864  -3.663  -8.540
  365    HB3  LEU  50           HB1      LEU  50  -4.899  -4.292  -7.265
  366    HG   LEU  50           HG       LEU  50  -2.472  -2.567  -6.857
  367   HD11  LEU  50          HD11      LEU  50  -5.413  -2.028  -6.542
  368   HD12  LEU  50          HD12      LEU  50  -4.379  -1.375  -7.809
  369   HD13  LEU  50          HD13      LEU  50  -4.138  -0.885  -6.137
  370   HD21  LEU  50          HD21      LEU  50  -2.674  -4.070  -4.991
  371   HD22  LEU  50          HD22      LEU  50  -4.409  -3.856  -4.941
  372   HD23  LEU  50          HD23      LEU  50  -3.351  -2.524  -4.480
  373    H    ARG  51           HN       ARG  51  -2.854  -6.423  -9.652
  374    HA   ARG  51           HA       ARG  51  -5.189  -8.021  -9.493
  375    HB2  ARG  51           HB2      ARG  51  -2.707  -8.242 -11.201
  376    HB3  ARG  51           HB1      ARG  51  -4.049  -9.378 -11.357
  377    HG2  ARG  51           HG2      ARG  51  -4.210  -6.395 -11.726
  378    HG3  ARG  51           HG1      ARG  51  -4.101  -7.571 -13.032
  379    HD2  ARG  51           HD2      ARG  51  -6.224  -8.571 -12.300
  380    HD3  ARG  51           HD1      ARG  51  -6.326  -7.400 -10.989
  381    HE   ARG  51           HE       ARG  51  -6.046  -5.969 -13.324
  382   HH11  ARG  51          HH11      ARG  51  -8.455  -8.156 -11.874
  383   HH12  ARG  51          HH12      ARG  51  -9.777  -7.481 -12.683
  384   HH21  ARG  51          HH21      ARG  51  -7.864  -5.048 -14.443
  385   HH22  ARG  51          HH22      ARG  51  -9.440  -5.660 -14.212
  386    H    PHE  52           HN       PHE  52  -1.864  -8.579  -8.572
  387    HA   PHE  52           HA       PHE  52  -2.299 -11.284  -7.791
  388    HB2  PHE  52           HB2      PHE  52  -0.061 -10.332  -8.420
  389    HB3  PHE  52           HB1      PHE  52  -0.103  -9.372  -6.948
  390    HD1  PHE  52           HD2      PHE  52   0.087 -12.804  -8.285
  391    HD2  PHE  52           HD1      PHE  52   0.486 -10.317  -4.860
  392    HE1  PHE  52           HE2      PHE  52   1.150 -14.660  -7.065
  393    HE2  PHE  52           HE1      PHE  52   1.551 -12.150  -3.641
  394    HZ   PHE  52           HZ       PHE  52   1.887 -14.337  -4.740
  395    H    LEU  53           HN       LEU  53  -2.659  -8.120  -6.309
  396    HA   LEU  53           HA       LEU  53  -2.982  -9.078  -3.667
  397    HB2  LEU  53           HB2      LEU  53  -3.805  -6.456  -4.955
  398    HB3  LEU  53           HB1      LEU  53  -4.485  -6.927  -3.458
  399    HG   LEU  53           HG       LEU  53  -2.656  -5.415  -3.061
  400   HD11  LEU  53          HD11      LEU  53  -1.429  -6.667  -1.428
  401   HD12  LEU  53          HD12      LEU  53  -1.961  -8.182  -2.154
  402   HD13  LEU  53          HD13      LEU  53  -3.143  -7.105  -1.402
  403   HD21  LEU  53          HD21      LEU  53  -1.235  -5.887  -4.977
  404   HD22  LEU  53          HD22      LEU  53  -0.885  -7.492  -4.334
  405   HD23  LEU  53          HD23      LEU  53  -0.340  -6.052  -3.468
  406    H    LEU  54           HN       LEU  54  -5.265  -8.289  -6.197
  407    HA   LEU  54           HA       LEU  54  -7.561  -8.872  -4.770
  408    HB2  LEU  54           HB2      LEU  54  -7.107  -9.221  -7.718
  409    HB3  LEU  54           HB1      LEU  54  -8.686  -9.122  -6.973
  410    HG   LEU  54           HG       LEU  54  -6.611  -6.988  -7.268
  411   HD11  LEU  54          HD11      LEU  54  -8.386  -5.788  -8.459
  412   HD12  LEU  54          HD12      LEU  54  -9.451  -7.178  -8.243
  413   HD13  LEU  54          HD13      LEU  54  -7.985  -7.332  -9.210
  414   HD21  LEU  54          HD21      LEU  54  -9.132  -6.855  -5.597
  415   HD22  LEU  54          HD22      LEU  54  -8.135  -5.467  -6.049
  416   HD23  LEU  54          HD23      LEU  54  -7.456  -6.743  -5.044
  417    H    ASP  55           HN       ASP  55  -5.443 -11.077  -6.428
  418    HA   ASP  55           HA       ASP  55  -7.107 -13.347  -5.975
  419    HB2  ASP  55           HB2      ASP  55  -4.229 -13.051  -6.747
  420    HB3  ASP  55           HB1      ASP  55  -4.843 -14.622  -6.265
  421    H    SER  56           HN       SER  56  -4.401 -11.925  -4.202
  422    HA   SER  56           HA       SER  56  -4.328 -14.115  -2.365
  423    HB2  SER  56           HB2      SER  56  -2.623 -12.663  -1.165
  424    HB3  SER  56           HB1      SER  56  -2.230 -13.103  -2.828
  425    HG   SER  56           HG       SER  56  -2.578 -11.106  -3.471
  426    H    ILE  57           HN       ILE  57  -5.782 -11.029  -2.487
  427    HA   ILE  57           HA       ILE  57  -6.588 -10.620   0.145
  428    HB   ILE  57           HB       ILE  57  -8.015  -9.975  -2.453
  429   HG12  ILE  57          HG12      ILE  57  -5.891  -8.772  -2.185
  430   HG13  ILE  57          HG11      ILE  57  -7.263  -7.682  -2.145
  431   HG21  ILE  57          HG21      ILE  57  -9.326  -8.360  -1.200
  432   HG22  ILE  57          HG22      ILE  57  -8.695  -9.057   0.300
  433   HG23  ILE  57          HG23      ILE  57  -9.665 -10.044  -0.804
  434   HD11  ILE  57          HD11      ILE  57  -5.572  -7.074  -0.543
  435   HD12  ILE  57          HD12      ILE  57  -5.712  -8.649   0.238
  436   HD13  ILE  57          HD13      ILE  57  -7.069  -7.522   0.269
  437    H    LYS  58           HN       LYS  58  -8.176 -12.400  -2.490
  438    HA   LYS  58           HA       LYS  58  -9.665 -14.068  -2.590
  439    HB2  LYS  58           HB2      LYS  58  -8.294 -15.389  -1.146
  440    HB3  LYS  58           HB1      LYS  58  -8.782 -14.470   0.263
  441    HG2  LYS  58           HG2      LYS  58  -9.752 -16.699   0.256
  442    HG3  LYS  58           HG1      LYS  58 -10.991 -15.449   0.193
  443    HD2  LYS  58           HD2      LYS  58 -11.577 -17.261  -1.322
  444    HD3  LYS  58           HD1      LYS  58 -11.161 -15.838  -2.269
  445    HE2  LYS  58           HE2      LYS  58  -8.938 -16.750  -2.707
  446    HE3  LYS  58           HE1      LYS  58  -9.302 -18.152  -1.702
  447    HZ1  LYS  58           HZ1      LYS  58 -10.992 -18.826  -3.275
  448    HZ2  LYS  58           HZ2      LYS  58  -9.551 -18.560  -4.103
  449    HZ3  LYS  58           HZ3      LYS  58 -10.768 -17.419  -4.170
  450    H    GLU  59           HN       GLU  59 -10.249 -12.713   0.592
  451    HA   GLU  59           HA       GLU  59 -13.060 -13.034   0.562
  452    HB2  GLU  59           HB2      GLU  59 -11.295 -11.200   2.175
  453    HB3  GLU  59           HB1      GLU  59 -12.986 -11.531   2.522
  454    HG2  GLU  59           HG2      GLU  59 -10.829 -13.618   2.428
  455    HG3  GLU  59           HG1      GLU  59 -11.394 -12.867   3.911
  456    H    LYS  60           HN       LYS  60 -11.112 -10.091   0.124
  457    HA   LYS  60           HA       LYS  60 -11.308  -8.327  -1.158
  458    HB2  LYS  60           HB2      LYS  60 -11.813  -9.949  -2.949
  459    HB3  LYS  60           HB1      LYS  60 -13.528  -9.762  -2.612
  460    HG2  LYS  60           HG2      LYS  60 -13.423  -7.440  -3.217
  461    HG3  LYS  60           HG1      LYS  60 -11.688  -7.562  -3.463
  462    HD2  LYS  60           HD2      LYS  60 -13.806  -9.006  -5.088
  463    HD3  LYS  60           HD1      LYS  60 -12.956  -7.552  -5.596
  464    HE2  LYS  60           HE2      LYS  60 -11.716  -9.155  -6.695
  465    HE3  LYS  60           HE1      LYS  60 -10.824  -9.061  -5.183
  466    HZ1  LYS  60           HZ1      LYS  60 -11.229 -11.391  -5.778
  467    HZ2  LYS  60           HZ2      LYS  60 -12.835 -11.077  -5.956
  468    HZ3  LYS  60           HZ3      LYS  60 -12.189 -11.047  -4.425
  469    H    TYR  61           HN       TYR  61 -14.405  -9.336   0.099
  470    HA   TYR  61           HA       TYR  61 -15.585  -6.725  -0.198
  471    HB2  TYR  61           HB2      TYR  61 -16.657  -9.121   1.289
  472    HB3  TYR  61           HB1      TYR  61 -17.580  -7.721   0.726
  473    HD1  TYR  61           HD2      TYR  61 -17.213  -7.188  -1.831
  474    HD2  TYR  61           HD1      TYR  61 -16.694 -10.977  -0.036
  475    HE1  TYR  61           HE2      TYR  61 -17.451  -8.248  -4.042
  476    HE2  TYR  61           HE1      TYR  61 -16.897 -12.068  -2.202
  477    HH   TYR  61           HH       TYR  61 -17.899 -11.564  -4.368
  478    H    ASN  62           HN       ASN  62 -13.357  -6.633   1.295
  479    HA   ASN  62           HA       ASN  62 -14.385  -5.608   3.860
  480    HB2  ASN  62           HB2      ASN  62 -11.635  -6.853   3.434
  481    HB3  ASN  62           HB1      ASN  62 -12.168  -6.064   4.904
  482   HD21  ASN  62          HD21      ASN  62 -12.101  -8.952   3.093
  483   HD22  ASN  62          HD22      ASN  62 -12.946  -9.919   4.246
  484    H    SER  63           HN       SER  63 -11.844  -4.362   4.474
  485    HA   SER  63           HA       SER  63 -11.295  -2.660   2.182
  486    HB2  SER  63           HB2      SER  63 -12.019  -1.540   4.914
  487    HB3  SER  63           HB1      SER  63 -11.661  -0.616   3.455
  488    HG   SER  63           HG       SER  63 -13.572  -1.608   2.522
  489    H    PHE  64           HN       PHE  64  -9.132  -2.708   2.049
  490    HA   PHE  64           HA       PHE  64  -7.564  -3.043   4.541
  491    HB2  PHE  64           HB2      PHE  64  -6.522  -3.966   1.885
  492    HB3  PHE  64           HB1      PHE  64  -6.136  -4.537   3.503
  493    HD1  PHE  64           HD1      PHE  64  -7.661  -6.129   4.643
  494    HD2  PHE  64           HD2      PHE  64  -8.285  -4.865   0.649
  495    HE1  PHE  64           HE1      PHE  64  -9.234  -7.978   4.287
  496    HE2  PHE  64           HE2      PHE  64  -9.798  -6.636   0.252
  497    HZ   PHE  64           HZ       PHE  64 -10.325  -8.260   2.090
  498    H    TRP  65           HN       TRP  65  -6.425  -1.273   4.908
  499    HA   TRP  65           HA       TRP  65  -6.047   0.877   3.141
  500    HB2  TRP  65           HB2      TRP  65  -4.417   0.164   5.575
  501    HB3  TRP  65           HB1      TRP  65  -4.421   1.716   4.770
  502    HD1  TRP  65           HD1      TRP  65  -5.792   0.049   7.677
  503    HE1  TRP  65           HE1      TRP  65  -7.775   1.334   8.664
  504    HE3  TRP  65           HE3      TRP  65  -6.795   3.155   3.727
  505    HZ2  TRP  65           HZ2      TRP  65  -9.533   3.370   7.881
  506    HZ3  TRP  65           HZ3      TRP  65  -8.666   4.743   3.946
  507    HH2  TRP  65           HH2      TRP  65 -10.008   4.831   6.005
  508    H    ILE  66           HN       ILE  66  -4.435   1.378   1.748
  509    HA   ILE  66           HA       ILE  66  -1.981  -0.175   1.980
  510    HB   ILE  66           HB       ILE  66  -1.422   0.244  -0.400
  511   HG12  ILE  66          HG12      ILE  66  -2.980   2.283  -0.666
  512   HG13  ILE  66          HG11      ILE  66  -2.855   1.188  -2.029
  513   HG21  ILE  66          HG21      ILE  66  -2.375  -1.880   0.128
  514   HG22  ILE  66          HG22      ILE  66  -2.953  -1.368  -1.454
  515   HG23  ILE  66          HG23      ILE  66  -4.009  -1.242  -0.050
  516   HD11  ILE  66          HD11      ILE  66  -5.113   1.281  -0.038
  517   HD12  ILE  66          HD12      ILE  66  -5.003   0.181  -1.414
  518   HD13  ILE  66          HD13      ILE  66  -5.145   1.917  -1.681
  519    H    GLY  67           HN       GLY  67  -0.063   1.351   0.897
  520    HA2  GLY  67           HA2      GLY  67  -0.009   3.456   2.842
  521    HA3  GLY  67           HA1      GLY  67   1.264   3.034   1.717
  522    H    LEU  68           HN       LEU  68  -2.034   4.110   1.147
  523    HA   LEU  68           HA       LEU  68  -1.008   6.318  -0.497
  524    HB2  LEU  68           HB2      LEU  68  -3.389   4.567  -0.757
  525    HB3  LEU  68           HB1      LEU  68  -3.397   6.169  -1.449
  526    HG   LEU  68           HG       LEU  68  -1.368   4.058  -2.123
  527   HD11  LEU  68          HD11      LEU  68  -2.645   3.774  -4.163
  528   HD12  LEU  68          HD12      LEU  68  -3.820   4.975  -3.627
  529   HD13  LEU  68          HD13      LEU  68  -3.678   3.436  -2.775
  530   HD21  LEU  68          HD21      LEU  68  -0.645   6.398  -2.429
  531   HD22  LEU  68          HD22      LEU  68  -2.086   6.688  -3.408
  532   HD23  LEU  68          HD23      LEU  68  -0.857   5.549  -3.955
  533    H    ARG  69           HN       ARG  69  -1.367   8.255   0.356
  534    HA   ARG  69           HA       ARG  69  -4.045   8.701   1.287
  535    HB2  ARG  69           HB2      ARG  69  -3.372  10.024   3.218
  536    HB3  ARG  69           HB1      ARG  69  -2.849   8.352   3.390
  537    HG2  ARG  69           HG2      ARG  69  -0.577   9.123   2.723
  538    HG3  ARG  69           HG1      ARG  69  -1.201  10.778   2.749
  539    HD2  ARG  69           HD2      ARG  69  -1.023   8.842   5.049
  540    HD3  ARG  69           HD1      ARG  69  -0.176  10.374   4.856
  541    HE   ARG  69           HE       ARG  69  -2.802  11.088   4.809
  542   HH11  ARG  69          HH11      ARG  69  -0.709   9.499   7.156
  543   HH12  ARG  69          HH12      ARG  69  -1.751   9.739   8.489
  544   HH21  ARG  69          HH21      ARG  69  -4.204  11.486   6.613
  545   HH22  ARG  69          HH22      ARG  69  -3.843  10.840   8.146
  546    H    TYR  70           HN       TYR  70  -4.868  10.640   0.861
  547    HA   TYR  70           HA       TYR  70  -3.425  12.176  -1.111
  548    HB2  TYR  70           HB2      TYR  70  -5.838  11.660  -1.424
  549    HB3  TYR  70           HB1      TYR  70  -6.197  12.451   0.093
  550    HD1  TYR  70           HD1      TYR  70  -4.691  13.213  -3.257
  551    HD2  TYR  70           HD2      TYR  70  -6.904  14.609   0.072
  552    HE1  TYR  70           HE1      TYR  70  -5.117  15.343  -4.424
  553    HE2  TYR  70           HE2      TYR  70  -7.339  16.702  -1.041
  554    HH   TYR  70           HH       TYR  70  -6.625  17.191  -4.375
  555    H    THR  71           HN       THR  71  -2.097  13.659  -0.418
  556    HA   THR  71           HA       THR  71  -2.494  14.600   2.306
  557    HB   THR  71           HB       THR  71  -0.079  15.283   2.182
  558    HG1  THR  71           HG1      THR  71  -0.395  14.632  -0.402
  559   HG21  THR  71          HG21      THR  71  -0.728  12.380   1.730
  560   HG22  THR  71          HG22      THR  71  -0.827  13.211   3.280
  561   HG23  THR  71          HG23      THR  71   0.741  12.988   2.493
  562    H    LEU  72           HN       LEU  72  -2.888  16.606   2.779
  563    HA   LEU  72           HA       LEU  72  -2.407  18.574   0.700
  564    HB2  LEU  72           HB2      LEU  72  -4.628  18.570   2.740
  565    HB3  LEU  72           HB1      LEU  72  -4.264  19.920   1.689
  566    HG   LEU  72           HG       LEU  72  -5.227  17.198   0.804
  567   HD11  LEU  72          HD11      LEU  72  -6.974  18.599   1.806
  568   HD12  LEU  72          HD12      LEU  72  -7.179  18.412   0.057
  569   HD13  LEU  72          HD13      LEU  72  -6.501  19.905   0.706
  570   HD21  LEU  72          HD21      LEU  72  -3.672  18.112  -0.806
  571   HD22  LEU  72          HD22      LEU  72  -4.537  19.649  -0.791
  572   HD23  LEU  72          HD23      LEU  72  -5.322  18.197  -1.413
  573    HA   PRO  73           HA       PRO  73  -2.252  20.472   0.407
  574    HB2  PRO  73           HB2      PRO  73  -0.257  22.437   0.234
  575    HB3  PRO  73           HB1      PRO  73  -1.949  22.685   0.721
  576    HG2  PRO  73           HG2      PRO  73   0.308  22.993   2.365
  577    HG3  PRO  73           HG1      PRO  73  -1.395  23.018   2.846
  578    HD2  PRO  73           HD2      PRO  73   0.568  20.814   3.054
  579    HD3  PRO  73           HD1      PRO  73  -0.847  21.174   4.065
  580    H    ASP  74           HN       ASP  74  -1.454  19.663  -1.449
  581    HA   ASP  74           HA       ASP  74   1.169  19.217  -2.256
  582    HB2  ASP  74           HB2      ASP  74   1.160  17.674  -0.224
  583    HB3  ASP  74           HB1      ASP  74  -0.110  16.751  -1.010
  584    H    MET  75           HN       MET  75  -2.027  17.823  -1.883
  585    HA   MET  75           HA       MET  75  -3.654  17.234  -3.153
  586    HB2  MET  75           HB2      MET  75  -2.349  19.084  -5.118
  587    HB3  MET  75           HB1      MET  75  -3.909  18.332  -5.408
  588    HG2  MET  75           HG2      MET  75  -4.345  20.484  -4.568
  589    HG3  MET  75           HG1      MET  75  -4.704  19.385  -3.247
  590    HE1  MET  75           HE1      MET  75  -2.358  22.171  -4.670
  591    HE2  MET  75           HE2      MET  75  -1.215  20.831  -4.556
  592    HE3  MET  75           HE3      MET  75  -1.055  22.222  -3.486
  593    H    ASN  76           HN       ASN  76  -1.051  15.741  -3.329
  594    HA   ASN  76           HA       ASN  76  -2.021  14.018  -5.475
  595    HB2  ASN  76           HB2      ASN  76   0.821  14.539  -4.629
  596    HB3  ASN  76           HB1      ASN  76   0.365  13.074  -5.486
  597   HD21  ASN  76          HD21      ASN  76  -0.295  13.220  -7.616
  598   HD22  ASN  76          HD22      ASN  76   0.009  14.607  -8.591
  599    H    TRP  77           HN       TRP  77  -1.747  11.800  -5.171
  600    HA   TRP  77           HA       TRP  77  -2.032  10.953  -2.416
  601    HB2  TRP  77           HB2      TRP  77  -2.262   9.494  -5.056
  602    HB3  TRP  77           HB1      TRP  77  -2.399   8.706  -3.492
  603    HD1  TRP  77           HD1      TRP  77  -4.274  11.164  -5.776
  604    HE1  TRP  77           HE1      TRP  77  -6.751  11.177  -5.028
  605    HE3  TRP  77           HE3      TRP  77  -3.891   8.270  -1.616
  606    HZ2  TRP  77           HZ2      TRP  77  -8.311  10.126  -2.952
  607    HZ3  TRP  77           HZ3      TRP  77  -5.918   7.818  -0.292
  608    HH2  TRP  77           HH2      TRP  77  -8.079   8.732  -0.953
  609    H    LYS  78           HN       LYS  78  -0.231  10.541  -1.385
  610    HA   LYS  78           HA       LYS  78   2.008   9.569  -2.983
  611    HB2  LYS  78           HB2      LYS  78   2.110  11.390  -0.582
  612    HB3  LYS  78           HB1      LYS  78   3.515  10.681  -1.373
  613    HG2  LYS  78           HG2      LYS  78   2.955  11.820  -3.437
  614    HG3  LYS  78           HG1      LYS  78   1.525  12.523  -2.685
  615    HD2  LYS  78           HD2      LYS  78   3.274  14.172  -2.724
  616    HD3  LYS  78           HD1      LYS  78   3.010  13.665  -1.060
  617    HE2  LYS  78           HE2      LYS  78   4.959  12.224  -1.171
  618    HE3  LYS  78           HE1      LYS  78   5.194  12.643  -2.868
  619    HZ1  LYS  78           HZ1      LYS  78   5.361  14.509  -0.568
  620    HZ2  LYS  78           HZ2      LYS  78   5.551  14.943  -2.183
  621    HZ3  LYS  78           HZ3      LYS  78   6.657  13.893  -1.448
  622    H    TRP  79           HN       TRP  79   3.470   8.228  -1.995
  623    HA   TRP  79           HA       TRP  79   2.182   6.443  -0.084
  624    HB2  TRP  79           HB2      TRP  79   4.730   5.830  -1.644
  625    HB3  TRP  79           HB1      TRP  79   3.677   4.785  -0.745
  626    HD1  TRP  79           HD1      TRP  79   3.782   6.687  -4.058
  627    HE1  TRP  79           HE1      TRP  79   2.213   5.474  -5.688
  628    HE3  TRP  79           HE3      TRP  79   1.699   3.353  -0.842
  629    HZ2  TRP  79           HZ2      TRP  79   0.323   3.428  -5.614
  630    HZ3  TRP  79           HZ3      TRP  79   0.008   1.810  -1.701
  631    HH2  TRP  79           HH2      TRP  79  -0.658   1.855  -4.030
  632    H    ILE  80           HN       ILE  80   3.645   5.454   1.471
  633    HA   ILE  80           HA       ILE  80   4.947   7.434   3.058
  634    HB   ILE  80           HB       ILE  80   5.426   5.618   4.626
  635   HG12  ILE  80          HG12      ILE  80   4.233   3.770   2.545
  636   HG13  ILE  80          HG11      ILE  80   5.963   3.951   2.808
  637   HG21  ILE  80          HG21      ILE  80   3.214   6.630   4.634
  638   HG22  ILE  80          HG22      ILE  80   3.082   4.908   5.001
  639   HG23  ILE  80          HG23      ILE  80   2.671   5.503   3.394
  640   HD11  ILE  80          HD11      ILE  80   5.060   1.960   3.910
  641   HD12  ILE  80          HD12      ILE  80   3.942   2.970   4.822
  642   HD13  ILE  80          HD13      ILE  80   5.678   3.111   5.093
  643    H    ASN  81           HN       ASN  81   6.076   5.478   0.522
  644    HA   ASN  81           HA       ASN  81   8.800   5.360   1.549
  645    HB2  ASN  81           HB2      ASN  81   9.332   3.912  -0.302
  646    HB3  ASN  81           HB1      ASN  81   7.794   3.380   0.363
  647   HD21  ASN  81          HD21      ASN  81   8.915   2.930  -2.242
  648   HD22  ASN  81          HD22      ASN  81   7.787   3.546  -3.387
  649    H    GLY  82           HN       GLY  82   6.928   7.520   0.092
  650    HA2  GLY  82           HA2      GLY  82   7.725   9.673  -0.462
  651    HA3  GLY  82           HA1      GLY  82   9.247   8.958  -0.966
  652    H    SER  83           HN       SER  83   6.917   7.068  -2.338
  653    HA   SER  83           HA       SER  83   7.356   8.373  -4.884
  654    HB2  SER  83           HB2      SER  83   7.361   5.776  -4.452
  655    HB3  SER  83           HB1      SER  83   5.597   6.007  -4.449
  656    HG   SER  83           HG       SER  83   6.725   5.445  -6.514
  657    H    THR  84           HN       THR  84   5.431   8.458  -6.365
  658    HA   THR  84           HA       THR  84   3.096   9.514  -4.971
  659    HB   THR  84           HB       THR  84   4.099  10.191  -7.766
  660    HG1  THR  84           HG1      THR  84   5.093  10.849  -5.492
  661   HG21  THR  84          HG21      THR  84   2.522  12.081  -7.598
  662   HG22  THR  84          HG22      THR  84   2.021  11.531  -6.000
  663   HG23  THR  84          HG23      THR  84   1.662  10.551  -7.423
  664    H    LEU  85           HN       LEU  85   1.149   8.809  -5.675
  665    HA   LEU  85           HA       LEU  85   0.693   6.198  -6.365
  666    HB2  LEU  85           HB2      LEU  85  -0.984   7.462  -5.314
  667    HB3  LEU  85           HB1      LEU  85  -1.051   8.604  -6.639
  668    HG   LEU  85           HG       LEU  85  -1.940   6.766  -8.087
  669   HD11  LEU  85          HD11      LEU  85  -2.251   5.287  -5.507
  670   HD12  LEU  85          HD12      LEU  85  -1.111   4.884  -6.792
  671   HD13  LEU  85          HD13      LEU  85  -2.847   4.774  -7.090
  672   HD21  LEU  85          HD21      LEU  85  -4.199   6.878  -7.195
  673   HD22  LEU  85          HD22      LEU  85  -3.394   8.443  -7.093
  674   HD23  LEU  85          HD23      LEU  85  -3.568   7.442  -5.649
  675    H    ASN  86           HN       ASN  86   0.713   5.050  -8.112
  676    HA   ASN  86           HA       ASN  86   0.599   6.197 -10.754
  677    HB2  ASN  86           HB2      ASN  86   2.064   4.251 -10.400
  678    HB3  ASN  86           HB1      ASN  86   0.714   3.315  -9.785
  679   HD21  ASN  86          HD21      ASN  86   1.354   1.784 -11.366
  680   HD22  ASN  86          HD22      ASN  86   0.879   1.963 -13.018
  681    H    SER  87           HN       SER  87  -1.396   7.168 -10.699
  682    HA   SER  87           HA       SER  87  -3.777   6.063  -9.794
  683    HB2  SER  87           HB2      SER  87  -3.356   8.169 -11.907
  684    HB3  SER  87           HB1      SER  87  -4.789   7.935 -10.903
  685    HG   SER  87           HG       SER  87  -3.679   9.480  -9.912
  686    H    ASP  88           HN       ASP  88  -1.979   5.253 -12.506
  687    HA   ASP  88           HA       ASP  88  -4.131   4.693 -14.276
  688    HB2  ASP  88           HB2      ASP  88  -1.197   4.068 -14.418
  689    HB3  ASP  88           HB1      ASP  88  -2.344   3.556 -15.649
  690    H    VAL  89           HN       VAL  89  -3.069   3.013 -11.533
  691    HA   VAL  89           HA       VAL  89  -3.330   0.458 -12.718
  692    HB   VAL  89           HB       VAL  89  -3.261  -0.525 -10.501
  693   HG11  VAL  89          HG11      VAL  89  -1.078   0.328  -9.748
  694   HG12  VAL  89          HG12      VAL  89  -1.283   1.721 -10.809
  695   HG13  VAL  89          HG13      VAL  89  -1.153   0.101 -11.495
  696   HG21  VAL  89          HG21      VAL  89  -4.592   1.008  -9.230
  697   HG22  VAL  89          HG22      VAL  89  -3.370   2.284  -9.407
  698   HG23  VAL  89          HG23      VAL  89  -3.010   0.821  -8.470
  699    H    LEU  90           HN       LEU  90  -5.549   2.431 -10.774
  700    HA   LEU  90           HA       LEU  90  -7.839   1.071 -11.820
  701    HB2  LEU  90           HB2      LEU  90  -7.168   0.957  -8.870
  702    HB3  LEU  90           HB1      LEU  90  -8.729   0.544  -9.543
  703    HG   LEU  90           HG       LEU  90  -6.170  -0.891 -10.159
  704   HD11  LEU  90          HD11      LEU  90  -6.829  -1.144  -7.801
  705   HD12  LEU  90          HD12      LEU  90  -7.030  -2.660  -8.677
  706   HD13  LEU  90          HD13      LEU  90  -8.443  -1.666  -8.295
  707   HD21  LEU  90          HD21      LEU  90  -9.051  -1.609 -10.731
  708   HD22  LEU  90          HD22      LEU  90  -7.657  -2.649 -11.030
  709   HD23  LEU  90          HD23      LEU  90  -7.820  -1.128 -11.903
  710    H    LYS  91           HN       LYS  91  -9.756   2.127 -10.384
  711    HA   LYS  91           HA       LYS  91  -9.373   4.907 -10.761
  712    HB2  LYS  91           HB2      LYS  91 -11.546   5.207  -9.783
  713    HB3  LYS  91           HB1      LYS  91 -11.566   4.141 -11.199
  714    HG2  LYS  91           HG2      LYS  91 -11.871   2.225  -9.770
  715    HG3  LYS  91           HG1      LYS  91 -11.597   3.201  -8.325
  716    HD2  LYS  91           HD2      LYS  91 -13.843   3.610 -10.271
  717    HD3  LYS  91           HD1      LYS  91 -13.986   2.681  -8.762
  718    HE2  LYS  91           HE2      LYS  91 -13.397   4.714  -7.490
  719    HE3  LYS  91           HE1      LYS  91 -13.270   5.626  -8.986
  720    HZ1  LYS  91           HZ1      LYS  91 -15.363   6.007  -7.917
  721    HZ2  LYS  91           HZ2      LYS  91 -15.730   4.364  -7.924
  722    HZ3  LYS  91           HZ3      LYS  91 -15.609   5.225  -9.384
  723    H    ILE  92           HN       ILE  92  -8.536   6.306  -9.474
  724    HA   ILE  92           HA       ILE  92  -9.250   6.287  -6.653
  725    HB   ILE  92           HB       ILE  92  -6.417   6.913  -7.580
  726   HG12  ILE  92          HG12      ILE  92  -7.652   4.383  -6.566
  727   HG13  ILE  92          HG11      ILE  92  -6.524   4.622  -7.857
  728   HG21  ILE  92          HG21      ILE  92  -7.627   6.586  -4.818
  729   HG22  ILE  92          HG22      ILE  92  -7.177   8.116  -5.572
  730   HG23  ILE  92          HG23      ILE  92  -5.932   6.939  -5.156
  731   HD11  ILE  92          HD11      ILE  92  -4.701   5.065  -6.306
  732   HD12  ILE  92          HD12      ILE  92  -5.427   3.480  -6.012
  733   HD13  ILE  92          HD13      ILE  92  -5.816   4.843  -4.958
  734    H    THR  93           HN       THR  93  -9.783   8.359  -6.058
  735    HA   THR  93           HA       THR  93  -9.606  10.317  -8.232
  736    HB   THR  93           HB       THR  93 -11.675  10.140  -6.054
  737    HG1  THR  93           HG1      THR  93 -12.727   8.712  -7.323
  738   HG21  THR  93          HG21      THR  93 -11.488  12.339  -7.149
  739   HG22  THR  93          HG22      THR  93 -13.010  11.558  -7.568
  740   HG23  THR  93          HG23      THR  93 -11.683  11.573  -8.727
  741    H    GLY  94           HN       GLY  94  -8.649  12.263  -7.769
  742    HA2  GLY  94           HA2      GLY  94  -7.675  12.612  -5.080
  743    HA3  GLY  94           HA1      GLY  94  -7.121  13.507  -6.511
  744    H    ASP  95           HN       ASP  95 -10.143  13.595  -7.109
  745    HA   ASP  95           HA       ASP  95 -10.558  16.058  -5.794
  746    HB2  ASP  95           HB2      ASP  95 -12.536  14.452  -7.380
  747    HB3  ASP  95           HB1      ASP  95 -12.789  16.093  -6.833
  748    H    THR  96           HN       THR  96 -11.148  16.165  -3.910
  749    HA   THR  96           HA       THR  96 -13.241  14.816  -2.627
  750    HB   THR  96           HB       THR  96 -11.838  12.819  -2.597
  751    HG1  THR  96           HG1      THR  96 -12.745  12.677  -0.725
  752   HG21  THR  96          HG21      THR  96  -9.676  14.503  -1.283
  753   HG22  THR  96          HG22      THR  96  -9.612  13.807  -2.897
  754   HG23  THR  96          HG23      THR  96  -9.612  12.752  -1.484
  755    H    GLU  97           HN       GLU  97 -10.112  16.367  -2.291
  756    HA   GLU  97           HA       GLU  97  -9.323  18.095  -1.171
  757    HB2  GLU  97           HB2      GLU  97 -12.164  18.835  -0.437
  758    HB3  GLU  97           HB1      GLU  97 -10.772  19.905  -0.508
  759    HG2  GLU  97           HG2      GLU  97 -12.198  18.597  -2.808
  760    HG3  GLU  97           HG1      GLU  97 -12.122  20.314  -2.432
  761    H    ASN  98           HN       ASN  98 -10.044  15.486   0.166
  762    HA   ASN  98           HA       ASN  98  -9.787  16.468   2.914
  763    HB2  ASN  98           HB2      ASN  98 -10.929  13.770   2.155
  764    HB3  ASN  98           HB1      ASN  98 -10.847  14.461   3.756
  765   HD21  ASN  98          HD21      ASN  98 -12.611  14.255   0.858
  766   HD22  ASN  98          HD22      ASN  98 -13.941  15.234   1.337
  767    H    ASP  99           HN       ASP  99  -8.418  15.245   4.210
  768    HA   ASP  99           HA       ASP  99  -5.983  14.334   3.003
  769    HB2  ASP  99           HB2      ASP  99  -6.298  15.635   5.191
  770    HB3  ASP  99           HB1      ASP  99  -6.811  14.121   5.909
  771    H    SER 100           HN       SER 100  -8.180  12.742   2.299
  772    HA   SER 100           HA       SER 100  -8.753  10.453   3.828
  773    HB2  SER 100           HB2      SER 100 -10.253  11.430   2.170
  774    HB3  SER 100           HB1      SER 100  -9.110  11.055   0.891
  775    HG   SER 100           HG       SER 100 -10.214   9.070   2.569
  776    H    CYS 101           HN       CYS 101  -8.169   8.313   3.529
  777    HA   CYS 101           HA       CYS 101  -5.671   7.794   2.088
  778    HB2  CYS 101           HB2      CYS 101  -6.816   6.505   4.576
  779    HB3  CYS 101           HB1      CYS 101  -5.388   5.926   3.730
  780    H    ALA 102           HN       ALA 102  -5.586   5.853   0.873
  781    HA   ALA 102           HA       ALA 102  -8.264   4.980   0.116
  782    HB1  ALA 102           HB1      ALA 102  -7.360   4.310  -2.035
  783    HB2  ALA 102           HB2      ALA 102  -5.720   4.655  -1.495
  784    HB3  ALA 102           HB3      ALA 102  -6.891   5.960  -1.688
  785    H    ALA 103           HN       ALA 103  -8.842   2.836  -0.167
  786    HA   ALA 103           HA       ALA 103  -7.058   0.809   0.943
  787    HB1  ALA 103           HB1      ALA 103  -8.477   1.572   2.797
  788    HB2  ALA 103           HB2      ALA 103  -8.922  -0.067   2.309
  789    HB3  ALA 103           HB3      ALA 103  -9.914   1.294   1.815
  790    H    ILE 104           HN       ILE 104  -7.526  -1.243   0.228
  791    HA   ILE 104           HA       ILE 104  -9.023  -1.587  -2.247
  792    HB   ILE 104           HB       ILE 104  -7.640  -3.473  -0.325
  793   HG12  ILE 104          HG12      ILE 104  -6.163  -2.015  -1.717
  794   HG13  ILE 104          HG11      ILE 104  -5.872  -3.738  -1.909
  795   HG21  ILE 104          HG21      ILE 104  -9.444  -4.747  -1.353
  796   HG22  ILE 104          HG22      ILE 104  -7.911  -5.308  -2.003
  797   HG23  ILE 104          HG23      ILE 104  -8.932  -4.236  -2.962
  798   HD11  ILE 104          HD11      ILE 104  -7.430  -1.994  -3.796
  799   HD12  ILE 104          HD12      ILE 104  -7.114  -3.738  -3.945
  800   HD13  ILE 104          HD13      ILE 104  -5.771  -2.594  -4.020
  801    H    SER 105           HN       SER 105 -11.174  -1.626  -2.078
  802    HA   SER 105           HA       SER 105 -12.299  -3.085   0.200
  803    HB2  SER 105           HB2      SER 105 -12.329  -0.531   0.440
  804    HB3  SER 105           HB1      SER 105 -13.438  -0.531  -0.915
  805    HG   SER 105           HG       SER 105 -14.980  -1.129   0.324
  806    H    GLY 106           HN       GLY 106 -11.721  -3.904  -2.433
  807    HA2  GLY 106           HA2      GLY 106 -13.770  -5.404  -3.188
  808    HA3  GLY 106           HA1      GLY 106 -14.116  -3.860  -3.972
  809    H    ASP 107           HN       ASP 107 -13.666  -4.395  -6.036
  810    HA   ASP 107           HA       ASP 107 -10.949  -5.318  -6.643
  811    HB2  ASP 107           HB2      ASP 107 -11.820  -5.685  -8.917
  812    HB3  ASP 107           HB1      ASP 107 -12.803  -6.540  -7.738
  813    H    LYS 108           HN       LYS 108 -12.188  -2.638  -5.801
  814    HA   LYS 108           HA       LYS 108 -10.653  -1.013  -7.695
  815    HB2  LYS 108           HB2      LYS 108 -13.267  -0.185  -6.401
  816    HB3  LYS 108           HB1      LYS 108 -12.310   0.760  -7.528
  817    HG2  LYS 108           HG2      LYS 108 -13.799  -1.785  -8.138
  818    HG3  LYS 108           HG1      LYS 108 -14.239  -0.133  -8.599
  819    HD2  LYS 108           HD2      LYS 108 -12.281   0.038 -10.015
  820    HD3  LYS 108           HD1      LYS 108 -11.705  -1.524  -9.405
  821    HE2  LYS 108           HE2      LYS 108 -12.673  -1.707 -11.655
  822    HE3  LYS 108           HE1      LYS 108 -13.517  -2.680 -10.461
  823    HZ1  LYS 108           HZ1      LYS 108 -15.238  -0.948 -10.362
  824    HZ2  LYS 108           HZ2      LYS 108 -15.049  -1.588 -11.906
  825    HZ3  LYS 108           HZ3      LYS 108 -14.422  -0.066 -11.556
  826    H    VAL 109           HN       VAL 109 -10.040   1.070  -6.640
  827    HA   VAL 109           HA       VAL 109  -9.362   0.545  -3.846
  828    HB   VAL 109           HB       VAL 109  -8.339   2.863  -5.430
  829   HG11  VAL 109          HG11      VAL 109  -6.389   2.650  -4.002
  830   HG12  VAL 109          HG12      VAL 109  -7.067   1.185  -3.298
  831   HG13  VAL 109          HG13      VAL 109  -7.884   2.726  -3.057
  832   HG21  VAL 109          HG21      VAL 109  -7.957   1.029  -6.929
  833   HG22  VAL 109          HG22      VAL 109  -7.205   0.069  -5.649
  834   HG23  VAL 109          HG23      VAL 109  -6.418   1.540  -6.244
  835    H    THR 110           HN       THR 110 -10.573   1.614  -2.379
  836    HA   THR 110           HA       THR 110 -11.956   4.007  -3.333
  837    HB   THR 110           HB       THR 110 -13.934   3.340  -2.013
  838    HG1  THR 110           HG1      THR 110 -12.443   2.078  -0.513
  839   HG21  THR 110          HG21      THR 110 -14.628   1.366  -3.277
  840   HG22  THR 110          HG22      THR 110 -12.945   0.990  -3.611
  841   HG23  THR 110          HG23      THR 110 -13.678   2.411  -4.353
  842    H    PHE 111           HN       PHE 111 -12.151   5.662  -1.744
  843    HA   PHE 111           HA       PHE 111 -10.155   5.292   0.342
  844    HB2  PHE 111           HB2      PHE 111  -9.789   7.803   0.142
  845    HB3  PHE 111           HB1      PHE 111  -9.175   6.781  -1.151
  846    HD1  PHE 111           HD2      PHE 111 -11.725   9.256  -0.222
  847    HD2  PHE 111           HD1      PHE 111 -10.069   6.908  -3.361
  848    HE1  PHE 111           HE2      PHE 111 -12.951  10.600  -1.872
  849    HE2  PHE 111           HE1      PHE 111 -11.281   8.236  -5.006
  850    HZ   PHE 111           HZ       PHE 111 -12.739  10.099  -4.266
  851    H    GLU 112           HN       GLU 112 -10.325   6.211   2.281
  852    HA   GLU 112           HA       GLU 112 -12.960   7.192   3.089
  853    HB2  GLU 112           HB2      GLU 112 -11.395   4.949   4.347
  854    HB3  GLU 112           HB1      GLU 112 -12.633   5.832   5.193
  855    HG2  GLU 112           HG2      GLU 112 -14.239   5.108   3.444
  856    HG3  GLU 112           HG1      GLU 112 -12.964   4.074   2.787
  857    H    SER 113           HN       SER 113 -12.778   7.942   5.400
  858    HA   SER 113           HA       SER 113 -10.640   9.708   5.875
  859    HB2  SER 113           HB2      SER 113 -12.628   8.473   7.773
  860    HB3  SER 113           HB1      SER 113 -11.826  10.045   7.914
  861    HG   SER 113           HG       SER 113 -13.796  10.489   7.080
  862    H    CYS 114           HN       CYS 114  -8.687   9.203   6.770
  863    HA   CYS 114           HA       CYS 114  -7.728   6.584   6.879
  864    HB2  CYS 114           HB2      CYS 114  -6.559   8.937   8.349
  865    HB3  CYS 114           HB1      CYS 114  -5.709   7.532   7.718
  866    H    ASN 115           HN       ASN 115  -9.362   8.378   9.249
  867    HA   ASN 115           HA       ASN 115  -8.464   6.944  11.546
  868    HB2  ASN 115           HB2      ASN 115 -10.173   8.168  12.777
  869    HB3  ASN 115           HB1      ASN 115  -9.227   9.248  11.763
  870   HD21  ASN 115          HD21      ASN 115 -10.252  10.265   9.985
  871   HD22  ASN 115          HD22      ASN 115 -11.952  10.281   9.794
  872    H    SER 116           HN       SER 116 -10.564   5.857   9.071
  873    HA   SER 116           HA       SER 116 -12.366   4.623  10.872
  874    HB2  SER 116           HB2      SER 116 -13.145   3.356   8.795
  875    HB3  SER 116           HB1      SER 116 -13.309   5.111   8.747
  876    HG   SER 116           HG       SER 116 -12.513   4.169   6.876
  877    H    ASP 117           HN       ASP 117 -12.506   2.508  11.510
  878    HA   ASP 117           HA       ASP 117  -9.923   1.243  11.718
  879    HB2  ASP 117           HB2      ASP 117 -11.464   1.514  13.694
  880    HB3  ASP 117           HB1      ASP 117 -12.566   0.377  12.940
  881    H    ASN 118           HN       ASN 118  -9.513   0.487   9.776
  882    HA   ASN 118           HA       ASN 118 -11.210  -1.650   8.641
  883    HB2  ASN 118           HB2      ASN 118  -9.682   0.547   7.253
  884    HB3  ASN 118           HB1      ASN 118 -10.057  -0.954   6.426
  885   HD21  ASN 118          HD21      ASN 118 -10.904   1.815   5.929
  886   HD22  ASN 118          HD22      ASN 118 -12.606   1.779   5.871
  887    H    ARG 119           HN       ARG 119  -9.684  -2.911   6.975
  888    HA   ARG 119           HA       ARG 119  -7.586  -3.954   8.732
  889    HB2  ARG 119           HB2      ARG 119  -8.464  -5.062   6.030
  890    HB3  ARG 119           HB1      ARG 119  -7.495  -5.851   7.229
  891    HG2  ARG 119           HG2      ARG 119  -9.632  -6.896   7.191
  892    HG3  ARG 119           HG1      ARG 119  -9.512  -5.989   8.695
  893    HD2  ARG 119           HD2      ARG 119 -10.905  -4.289   7.872
  894    HD3  ARG 119           HD1      ARG 119 -10.817  -4.892   6.227
  895    HE   ARG 119           HE       ARG 119 -12.007  -6.926   7.222
  896   HH11  ARG 119          HH11      ARG 119 -12.493  -3.769   8.720
  897   HH12  ARG 119          HH12      ARG 119 -14.181  -3.904   8.797
  898   HH21  ARG 119          HH21      ARG 119 -14.347  -7.132   7.349
  899   HH22  ARG 119          HH22      ARG 119 -15.278  -5.882   8.024
  900    H    TRP 120           HN       TRP 120  -5.584  -4.811   7.069
  901    HA   TRP 120           HA       TRP 120  -5.002  -2.637   5.256
  902    HB2  TRP 120           HB2      TRP 120  -3.067  -1.747   6.380
  903    HB3  TRP 120           HB1      TRP 120  -4.420  -1.678   7.497
  904    HD1  TRP 120           HD1      TRP 120  -0.990  -3.090   7.055
  905    HE1  TRP 120           HE1      TRP 120  -0.260  -4.351   9.122
  906    HE3  TRP 120           HE3      TRP 120  -5.456  -3.185   9.518
  907    HZ2  TRP 120           HZ2      TRP 120  -1.431  -5.311  11.533
  908    HZ3  TRP 120           HZ3      TRP 120  -5.556  -4.296  11.705
  909    HH2  TRP 120           HH2      TRP 120  -3.585  -5.335  12.687
  910    H    ILE 121           HN       ILE 121  -2.890  -2.866   4.179
  911    HA   ILE 121           HA       ILE 121  -2.018  -5.670   4.114
  912    HB   ILE 121           HB       ILE 121  -2.134  -3.705   1.801
  913   HG12  ILE 121          HG12      ILE 121  -3.628  -6.289   2.110
  914   HG13  ILE 121          HG11      ILE 121  -4.316  -4.763   2.627
  915   HG21  ILE 121          HG21      ILE 121  -1.401  -5.585   0.409
  916   HG22  ILE 121          HG22      ILE 121  -1.303  -6.619   1.833
  917   HG23  ILE 121          HG23      ILE 121  -0.201  -5.254   1.664
  918   HD11  ILE 121          HD11      ILE 121  -4.090  -3.933   0.317
  919   HD12  ILE 121          HD12      ILE 121  -5.118  -5.357   0.431
  920   HD13  ILE 121          HD13      ILE 121  -3.454  -5.509  -0.158
  921    H    CYS 122           HN       CYS 122  -0.008  -5.937   4.592
  922    HA   CYS 122           HA       CYS 122   1.866  -3.653   4.560
  923    HB2  CYS 122           HB2      CYS 122   2.076  -6.341   5.921
  924    HB3  CYS 122           HB1      CYS 122   3.299  -5.089   5.983
  925    H    GLN 123           HN       GLN 123   3.760  -3.857   3.319
  926    HA   GLN 123           HA       GLN 123   4.087  -6.465   2.091
  927    HB2  GLN 123           HB2      GLN 123   4.928  -5.534   0.064
  928    HB3  GLN 123           HB1      GLN 123   3.443  -4.667   0.394
  929    HG2  GLN 123           HG2      GLN 123   4.653  -2.731   1.096
  930    HG3  GLN 123           HG1      GLN 123   6.177  -3.614   1.065
  931   HE21  GLN 123          HE21      GLN 123   7.169  -2.325  -0.423
  932   HE22  GLN 123          HE22      GLN 123   6.672  -2.161  -2.051
  933    H    LYS 124           HN       LYS 124   5.988  -7.316   2.414
  934    HA   LYS 124           HA       LYS 124   7.947  -5.508   3.542
  935    HB2  LYS 124           HB2      LYS 124   7.309  -7.257   5.171
  936    HB3  LYS 124           HB1      LYS 124   7.763  -8.498   4.016
  937    HG2  LYS 124           HG2      LYS 124  10.038  -8.082   4.260
  938    HG3  LYS 124           HG1      LYS 124   9.761  -6.457   4.823
  939    HD2  LYS 124           HD2      LYS 124  10.566  -8.159   6.563
  940    HD3  LYS 124           HD1      LYS 124   9.188  -7.148   7.002
  941    HE2  LYS 124           HE2      LYS 124   7.733  -9.033   6.601
  942    HE3  LYS 124           HE1      LYS 124   9.086  -9.996   6.004
  943    HZ1  LYS 124           HZ1      LYS 124  10.109  -9.909   8.140
  944    HZ2  LYS 124           HZ2      LYS 124   8.539 -10.418   8.430
  945    HZ3  LYS 124           HZ3      LYS 124   8.996  -8.827   8.727
  946    H    GLU 125           HN       GLU 125   9.209  -4.898   2.166
  947    HA   GLU 125           HA       GLU 125   9.562  -6.110  -0.348
  948    HB2  GLU 125           HB2      GLU 125   9.633  -3.688   0.044
  949    HB3  GLU 125           HB1      GLU 125  11.057  -3.879   1.049
  950    HG2  GLU 125           HG2      GLU 125  12.356  -4.557  -0.859
  951    HG3  GLU 125           HG1      GLU 125  10.929  -4.511  -1.900
  952    H    LEU 126           HN       LEU 126  11.155  -7.463  -0.996
  953    HA   LEU 126           HA       LEU 126  12.694  -8.761   1.019
  954    HB2  LEU 126           HB2      LEU 126  12.822  -8.941  -1.985
  955    HB3  LEU 126           HB1      LEU 126  13.933  -9.783  -0.934
  956    HG   LEU 126           HG       LEU 126  12.459 -11.450  -1.382
  957   HD11  LEU 126          HD11      LEU 126  11.079 -10.216   0.919
  958   HD12  LEU 126          HD12      LEU 126  12.554 -11.203   0.978
  959   HD13  LEU 126          HD13      LEU 126  11.031 -11.901   0.393
  960   HD21  LEU 126          HD21      LEU 126  10.943 -10.246  -2.786
  961   HD22  LEU 126          HD22      LEU 126  10.174  -9.514  -1.374
  962   HD23  LEU 126          HD23      LEU 126  10.056 -11.255  -1.644
  963    H    TYR 127           HN       TYR 127  13.156  -6.170  -1.087
  964    HA   TYR 127           HA       TYR 127  15.969  -5.950  -0.515
  965    HB2  TYR 127           HB2      TYR 127  14.088  -4.548  -2.361
  966    HB3  TYR 127           HB1      TYR 127  15.611  -3.780  -1.920
  967    HD1  TYR 127           HD1      TYR 127  14.450  -7.222  -3.010
  968    HD2  TYR 127           HD2      TYR 127  17.344  -4.099  -3.347
  969    HE1  TYR 127           HE1      TYR 127  15.664  -8.516  -4.660
  970    HE2  TYR 127           HE2      TYR 127  18.556  -5.421  -5.017
  971    HH   TYR 127           HH       TYR 127  18.798  -7.750  -5.660
  972    H    HIS 128           HN       HIS 128  13.745  -5.604   1.532
  973    HA   HIS 128           HA       HIS 128  13.963  -2.901   2.435
  974    HB2  HIS 128           HB2      HIS 128  12.852  -3.563   4.475
  975    HB3  HIS 128           HB1      HIS 128  12.114  -4.497   3.189
  976    HD1  HIS 128           HD1      HIS 128  12.582  -5.034   6.468
  977    HD2  HIS 128           HD2      HIS 128  14.124  -7.120   3.223
  978    HE1  HIS 128           HE1      HIS 128  13.150  -7.311   7.334
  979    HE2  HIS 128           HE2      HIS 128  14.478  -8.303   5.466
  980    H    GLU 129           HN       GLU 129  16.121  -5.327   2.236
  981    HA   GLU 129           HA       GLU 129  17.802  -5.235   4.434
  982    HB2  GLU 129           HB2      GLU 129  18.593  -5.364   1.517
  983    HB3  GLU 129           HB1      GLU 129  19.559  -5.904   2.879
  984    HG2  GLU 129           HG2      GLU 129  16.958  -7.113   1.956
  985    HG3  GLU 129           HG1      GLU 129  18.566  -7.773   1.685
  986    H    THR 130           HN       THR 130  18.441  -3.385   5.308
  987    HA   THR 130           HA       THR 130  18.852  -1.025   3.689
  988    HB   THR 130           HB       THR 130  19.195  -1.384   6.675
  989    HG1  THR 130           HG1      THR 130  16.965  -1.758   5.214
  990   HG21  THR 130          HG21      THR 130  18.354   0.974   4.973
  991   HG22  THR 130          HG22      THR 130  19.937   0.752   5.722
  992   HG23  THR 130          HG23      THR 130  18.507   0.975   6.731
  993    H    LEU 131           HN       LEU 131  20.985   0.085   3.752
  994    HA   LEU 131           HA       LEU 131  23.170  -1.691   3.671
  995    HB2  LEU 131           HB2      LEU 131  23.120   1.334   3.789
  996    HB3  LEU 131           HB1      LEU 131  24.599   0.419   3.668
  997    HG   LEU 131           HG       LEU 131  24.060   1.259   1.498
  998   HD11  LEU 131          HD11      LEU 131  23.459  -1.679   1.593
  999   HD12  LEU 131          HD12      LEU 131  25.051  -0.930   1.555
 1000   HD13  LEU 131          HD13      LEU 131  23.968  -0.763   0.175
 1001   HD21  LEU 131          HD21      LEU 131  21.656   1.620   1.747
 1002   HD22  LEU 131          HD22      LEU 131  21.381  -0.116   1.750
 1003   HD23  LEU 131          HD23      LEU 131  21.993   0.677   0.296
 1004    H    SER 132           HN       SER 132  21.930   0.424   6.125
 1005    HA   SER 132           HA       SER 132  23.598  -1.032   8.016
 1006    HB2  SER 132           HB2      SER 132  22.549   1.794   8.310
 1007    HB3  SER 132           HB1      SER 132  23.624   0.949   9.421
 1008    HG   SER 132           HG       SER 132  25.087   0.761   7.631
 1009    H    ASN 133           HN       ASN 133  22.128  -2.611   8.566
 1010    HA   ASN 133           HA       ASN 133  19.343  -1.883   9.112
 1011    HB2  ASN 133           HB2      ASN 133  20.639  -4.632   9.393
 1012    HB3  ASN 133           HB1      ASN 133  18.929  -4.301   9.560
 1013   HD21  ASN 133          HD21      ASN 133  21.498  -4.974   7.449
 1014   HD22  ASN 133          HD22      ASN 133  20.604  -4.982   5.981
 1015    H    TYR 134           HN       TYR 134  20.110  -0.447  10.806
 1016    HA   TYR 134           HA       TYR 134  19.923  -1.510  13.418
 1017    HB2  TYR 134           HB2      TYR 134  22.314  -2.151  12.498
 1018    HB3  TYR 134           HB1      TYR 134  22.656  -0.443  12.675
 1019    HD1  TYR 134           HD1      TYR 134  21.248  -3.274  14.652
 1020    HD2  TYR 134           HD2      TYR 134  23.688   0.200  14.630
 1021    HE1  TYR 134           HE1      TYR 134  21.904  -3.731  16.975
 1022    HE2  TYR 134           HE2      TYR 134  24.340  -0.232  16.946
 1023    HH   TYR 134           HH       TYR 134  23.551  -1.431  18.902
 1024    H    VAL 135           HN       VAL 135  20.099   0.451  14.921
 1025    HA   VAL 135           HA       VAL 135  19.243   2.796  13.541
 1026    HB   VAL 135           HB       VAL 135  19.990   2.496  16.486
 1027   HG11  VAL 135          HG11      VAL 135  18.422   4.672  15.114
 1028   HG12  VAL 135          HG12      VAL 135  20.051   4.820  15.771
 1029   HG13  VAL 135          HG13      VAL 135  18.688   4.527  16.854
 1030   HG21  VAL 135          HG21      VAL 135  17.592   2.318  16.892
 1031   HG22  VAL 135          HG22      VAL 135  18.145   1.024  15.829
 1032   HG23  VAL 135          HG23      VAL 135  17.286   2.411  15.159
 1033    H    GLY 136           HN       GLY 136  22.213   1.845  15.194
 1034    HA2  GLY 136           HA2      GLY 136  24.302   2.145  14.102
 1035    HA3  GLY 136           HA1      GLY 136  23.617   3.500  13.237
 1036    H    TYR 137           HN       TYR 137  22.609   4.189  16.174
 1037    HA   TYR 137           HA       TYR 137  23.193   5.705  17.781
 1038    HB2  TYR 137           HB2      TYR 137  26.040   4.705  17.422
 1039    HB3  TYR 137           HB1      TYR 137  25.399   5.551  18.819
 1040    HD1  TYR 137           HD2      TYR 137  23.515   4.323  20.149
 1041    HD2  TYR 137           HD1      TYR 137  26.102   2.414  17.365
 1042    HE1  TYR 137           HE2      TYR 137  23.004   2.138  21.170
 1043    HE2  TYR 137           HE1      TYR 137  25.608   0.247  18.373
 1044    HH   TYR 137           HH       TYR 137  23.050  -0.181  20.582
 1045    H    GLY 138           HN       GLY 138  23.532   6.273  14.842
 1046    HA2  GLY 138           HA2      GLY 138  23.862   8.770  14.416
 1047    HA3  GLY 138           HA1      GLY 138  25.514   8.435  14.925
 1048    H    HIS 139           HN       HIS 139  25.516   5.774  13.624
 1049    HA   HIS 139           HA       HIS 139  25.270   6.476  10.815
 1050    HB2  HIS 139           HB2      HIS 139  27.557   7.128  11.344
 1051    HB3  HIS 139           HB1      HIS 139  27.847   5.577  12.118
 1052    HD1  HIS 139           HD1      HIS 139  28.844   3.827  10.700
 1053    HD2  HIS 139           HD2      HIS 139  27.204   6.879   8.436
 1054    HE1  HIS 139           HE1      HIS 139  29.479   3.311   8.323
 1055    HE2  HIS 139           HE2      HIS 139  28.798   5.376   7.087
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  19.093 -14.965  -6.440
    2    H2   SER   1           HT2      SER   1  17.803 -14.171  -5.719
    3    H3   SER   1           HT3      SER   1  18.375 -13.663  -7.237
    4    HA   SER   1           HA       SER   1  17.740 -15.751  -8.210
    5    HB2  SER   1           HB2      SER   1  16.700 -16.412  -5.461
    6    HB3  SER   1           HB1      SER   1  16.681 -17.457  -6.886
    7    HG   SER   1           HG       SER   1  18.622 -18.003  -6.475
    8    H    ALA   2           HN       ALA   2  16.543 -12.963  -7.284
    9    HA   ALA   2           HA       ALA   2  14.711 -11.795  -7.447
   10    HB1  ALA   2           HB1      ALA   2  14.431 -12.858  -9.691
   11    HB2  ALA   2           HB2      ALA   2  12.885 -12.479  -8.935
   12    HB3  ALA   2           HB3      ALA   2  13.480 -14.137  -8.935
   13    H    LYS   3           HN       LYS   3  13.681 -11.312  -5.774
   14    HA   LYS   3           HA       LYS   3  12.620 -11.381  -3.823
   15    HB2  LYS   3           HB2      LYS   3  10.721 -12.171  -4.821
   16    HB3  LYS   3           HB1      LYS   3  11.323 -13.821  -5.055
   17    HG2  LYS   3           HG2      LYS   3  11.191 -13.105  -2.262
   18    HG3  LYS   3           HG1      LYS   3   9.648 -12.776  -3.033
   19    HD2  LYS   3           HD2      LYS   3   9.625 -15.025  -2.119
   20    HD3  LYS   3           HD1      LYS   3   9.609 -15.116  -3.876
   21    HE2  LYS   3           HE2      LYS   3  11.956 -15.683  -3.915
   22    HE3  LYS   3           HE1      LYS   3  12.092 -15.406  -2.182
   23    HZ1  LYS   3           HZ1      LYS   3  10.440 -17.558  -3.427
   24    HZ2  LYS   3           HZ2      LYS   3  10.695 -17.322  -1.784
   25    HZ3  LYS   3           HZ3      LYS   3  11.975 -17.753  -2.767
   26    H    LEU   4           HN       LEU   4  13.186 -11.719  -1.928
   27    HA   LEU   4           HA       LEU   4  14.930 -13.948  -1.274
   28    HB2  LEU   4           HB2      LEU   4  14.398 -11.324   0.178
   29    HB3  LEU   4           HB1      LEU   4  15.473 -12.569   0.762
   30    HG   LEU   4           HG       LEU   4  16.926 -12.166  -1.286
   31   HD11  LEU   4          HD11      LEU   4  15.178 -11.058  -2.683
   32   HD12  LEU   4          HD12      LEU   4  16.707 -10.199  -2.581
   33   HD13  LEU   4          HD13      LEU   4  15.333  -9.639  -1.642
   34   HD21  LEU   4          HD21      LEU   4  17.924 -10.125  -0.419
   35   HD22  LEU   4          HD22      LEU   4  17.496 -11.233   0.890
   36   HD23  LEU   4          HD23      LEU   4  16.480  -9.826   0.540
   37    H    GLU   5           HN       GLU   5  14.464 -14.407   1.312
   38    HA   GLU   5           HA       GLU   5  11.814 -15.515   1.178
   39    HB2  GLU   5           HB2      GLU   5  13.971 -15.752   3.247
   40    HB3  GLU   5           HB1      GLU   5  12.444 -16.618   3.311
   41    HG2  GLU   5           HG2      GLU   5  12.927 -17.922   1.464
   42    HG3  GLU   5           HG1      GLU   5  14.167 -16.816   0.882
   43    H    CYS   6           HN       CYS   6  10.134 -15.142   2.414
   44    HA   CYS   6           HA       CYS   6  10.212 -12.892   4.275
   45    HB2  CYS   6           HB2      CYS   6   7.947 -12.216   3.377
   46    HB3  CYS   6           HB1      CYS   6   9.259 -11.989   2.242
   47    HA   PRO   7           HA       PRO   7   8.049 -15.265   7.311
   48    HB2  PRO   7           HB2      PRO   7   5.697 -13.453   7.163
   49    HB3  PRO   7           HB1      PRO   7   6.654 -13.918   8.581
   50    HG2  PRO   7           HG2      PRO   7   6.945 -11.544   7.568
   51    HG3  PRO   7           HG1      PRO   7   8.362 -12.474   8.092
   52    HD2  PRO   7           HD2      PRO   7   7.372 -11.957   5.341
   53    HD3  PRO   7           HD1      PRO   7   9.041 -12.005   5.956
   54    H    GLN   8           HN       GLN   8   6.247 -16.568   7.863
   55    HA   GLN   8           HA       GLN   8   5.558 -18.283   5.775
   56    HB2  GLN   8           HB2      GLN   8   4.176 -19.493   7.448
   57    HB3  GLN   8           HB1      GLN   8   5.843 -19.210   7.929
   58    HG2  GLN   8           HG2      GLN   8   5.130 -17.385   9.379
   59    HG3  GLN   8           HG1      GLN   8   3.472 -17.584   8.834
   60   HE21  GLN   8          HE21      GLN   8   3.606 -20.514   8.880
   61   HE22  GLN   8          HE22      GLN   8   3.562 -20.947  10.538
   62    H    ASP   9           HN       ASP   9   3.589 -15.761   7.225
   63    HA   ASP   9           HA       ASP   9   1.158 -16.768   5.946
   64    HB2  ASP   9           HB2      ASP   9   1.634 -14.394   7.735
   65    HB3  ASP   9           HB1      ASP   9   0.089 -14.743   6.983
   66    H    TRP  10           HN       TRP  10   3.631 -15.188   4.725
   67    HA   TRP  10           HA       TRP  10   2.056 -13.050   3.530
   68    HB2  TRP  10           HB2      TRP  10   5.040 -13.401   3.820
   69    HB3  TRP  10           HB1      TRP  10   4.290 -12.060   2.975
   70    HD1  TRP  10           HD1      TRP  10   3.692 -13.592   6.515
   71    HE1  TRP  10           HE1      TRP  10   3.689 -11.680   8.224
   72    HE3  TRP  10           HE3      TRP  10   4.554  -9.680   3.358
   73    HZ2  TRP  10           HZ2      TRP  10   4.010  -8.909   8.247
   74    HZ3  TRP  10           HZ3      TRP  10   4.688  -7.430   4.321
   75    HH2  TRP  10           HH2      TRP  10   4.423  -7.057   6.713
   76    H    LEU  11           HN       LEU  11   2.243 -12.601   1.296
   77    HA   LEU  11           HA       LEU  11   2.763 -14.993  -0.405
   78    HB2  LEU  11           HB2      LEU  11   1.101 -12.571  -1.108
   79    HB3  LEU  11           HB1      LEU  11   1.239 -14.056  -2.021
   80    HG   LEU  11           HG       LEU  11  -0.876 -14.122  -1.155
   81   HD11  LEU  11          HD11      LEU  11   0.745 -15.690   0.790
   82   HD12  LEU  11          HD12      LEU  11   0.171 -16.208  -0.796
   83   HD13  LEU  11          HD13      LEU  11  -0.983 -15.886   0.496
   84   HD21  LEU  11          HD21      LEU  11  -1.547 -13.553   1.107
   85   HD22  LEU  11          HD22      LEU  11  -0.691 -12.211   0.331
   86   HD23  LEU  11          HD23      LEU  11   0.134 -13.205   1.534
   87    H    SER  12           HN       SER  12   4.407 -14.877  -1.767
   88    HA   SER  12           HA       SER  12   5.791 -12.351  -1.911
   89    HB2  SER  12           HB2      SER  12   7.635 -13.760  -2.818
   90    HB3  SER  12           HB1      SER  12   7.014 -14.267  -1.245
   91    HG   SER  12           HG       SER  12   5.685 -15.456  -3.300
   92    H    HIS  13           HN       HIS  13   5.781 -11.035  -3.631
   93    HA   HIS  13           HA       HIS  13   5.269 -12.070  -6.300
   94    HB2  HIS  13           HB2      HIS  13   3.034 -11.402  -5.499
   95    HB3  HIS  13           HB1      HIS  13   3.670  -9.819  -5.069
   96    HD1  HIS  13           HD1      HIS  13   3.847  -8.022  -7.012
   97    HD2  HIS  13           HD2      HIS  13   2.730 -11.844  -8.285
   98    HE1  HIS  13           HE1      HIS  13   3.315  -7.814  -9.404
   99    HE2  HIS  13           HE2      HIS  13   2.440 -10.058 -10.107
  100    H    ARG  14           HN       ARG  14   7.004 -11.378  -7.326
  101    HA   ARG  14           HA       ARG  14   8.607 -10.117  -8.141
  102    HB2  ARG  14           HB2      ARG  14   6.272  -8.337  -8.253
  103    HB3  ARG  14           HB1      ARG  14   7.830  -7.552  -8.483
  104    HG2  ARG  14           HG2      ARG  14   6.782  -8.226 -10.595
  105    HG3  ARG  14           HG1      ARG  14   8.335  -9.002 -10.341
  106    HD2  ARG  14           HD2      ARG  14   7.005 -10.981  -9.440
  107    HD3  ARG  14           HD1      ARG  14   5.584 -10.188 -10.121
  108    HE   ARG  14           HE       ARG  14   7.789 -10.480 -11.934
  109   HH11  ARG  14          HH11      ARG  14   4.744 -11.926 -10.818
  110   HH12  ARG  14          HH12      ARG  14   4.630 -13.009 -12.108
  111   HH21  ARG  14          HH21      ARG  14   7.622 -12.021 -13.696
  112   HH22  ARG  14          HH22      ARG  14   6.264 -13.047 -13.798
  113    H    ASP  15           HN       ASP  15   9.509 -10.601  -5.981
  114    HA   ASP  15           HA       ASP  15  11.150 -10.028  -4.466
  115    HB2  ASP  15           HB2      ASP  15  11.339  -7.363  -5.923
  116    HB3  ASP  15           HB1      ASP  15  12.528  -8.164  -4.947
  117    H    LYS  16           HN       LYS  16   8.329  -9.319  -3.979
  118    HA   LYS  16           HA       LYS  16   8.666  -7.637  -1.656
  119    HB2  LYS  16           HB2      LYS  16   6.520  -7.127  -3.786
  120    HB3  LYS  16           HB1      LYS  16   6.658  -6.298  -2.232
  121    HG2  LYS  16           HG2      LYS  16   8.314  -4.954  -2.901
  122    HG3  LYS  16           HG1      LYS  16   9.034  -6.153  -3.978
  123    HD2  LYS  16           HD2      LYS  16   8.157  -4.320  -5.279
  124    HD3  LYS  16           HD1      LYS  16   7.148  -5.734  -5.561
  125    HE2  LYS  16           HE2      LYS  16   5.624  -3.931  -5.269
  126    HE3  LYS  16           HE1      LYS  16   5.645  -4.761  -3.711
  127    HZ1  LYS  16           HZ1      LYS  16   5.832  -2.564  -3.149
  128    HZ2  LYS  16           HZ2      LYS  16   6.823  -2.171  -4.431
  129    HZ3  LYS  16           HZ3      LYS  16   7.478  -3.007  -3.128
  130    H    CYS  17           HN       CYS  17   7.020  -8.274  -0.076
  131    HA   CYS  17           HA       CYS  17   5.473 -10.629  -0.907
  132    HB2  CYS  17           HB2      CYS  17   7.671 -11.070   0.290
  133    HB3  CYS  17           HB1      CYS  17   6.929 -10.388   1.733
  134    H    PHE  18           HN       PHE  18   3.450 -10.682  -0.040
  135    HA   PHE  18           HA       PHE  18   2.657  -8.176   1.343
  136    HB2  PHE  18           HB2      PHE  18   0.931  -9.929  -0.363
  137    HB3  PHE  18           HB1      PHE  18   0.537  -8.330   0.222
  138    HD1  PHE  18           HD1      PHE  18   3.017  -6.840  -0.442
  139    HD2  PHE  18           HD2      PHE  18   0.895  -9.813  -2.589
  140    HE1  PHE  18           HE1      PHE  18   3.920  -5.940  -2.547
  141    HE2  PHE  18           HE2      PHE  18   1.792  -8.915  -4.714
  142    HZ   PHE  18           HZ       PHE  18   3.309  -6.985  -4.685
  143    H    HIS  19           HN       HIS  19   1.189  -8.214   2.960
  144    HA   HIS  19           HA       HIS  19   0.098 -10.813   3.807
  145    HB2  HIS  19           HB2      HIS  19   1.897  -9.902   5.489
  146    HB3  HIS  19           HB1      HIS  19   0.772  -8.588   5.728
  147    HD1  HIS  19           HD1      HIS  19  -0.955  -8.890   7.545
  148    HD2  HIS  19           HD2      HIS  19   0.587 -12.512   6.158
  149    HE1  HIS  19           HE1      HIS  19  -1.931 -10.632   8.992
  150    HE2  HIS  19           HE2      HIS  19  -1.029 -12.814   8.158
  151    H    VAL  20           HN       VAL  20  -2.003 -10.710   3.490
  152    HA   VAL  20           HA       VAL  20  -3.417  -8.182   3.576
  153    HB   VAL  20           HB       VAL  20  -4.464 -11.009   3.185
  154   HG11  VAL  20          HG11      VAL  20  -6.489  -9.930   2.321
  155   HG12  VAL  20          HG12      VAL  20  -5.802  -8.348   2.698
  156   HG13  VAL  20          HG13      VAL  20  -6.177  -9.479   3.997
  157   HG21  VAL  20          HG21      VAL  20  -4.594 -10.458   0.804
  158   HG22  VAL  20          HG22      VAL  20  -2.928 -10.353   1.387
  159   HG23  VAL  20          HG23      VAL  20  -3.878  -8.883   1.137
  160    H    SER  21           HN       SER  21  -3.317  -7.554   5.662
  161    HA   SER  21           HA       SER  21  -3.777  -9.353   7.813
  162    HB2  SER  21           HB2      SER  21  -3.677  -6.331   7.811
  163    HB3  SER  21           HB1      SER  21  -3.417  -7.404   9.187
  164    HG   SER  21           HG       SER  21  -1.574  -6.438   7.925
  165    H    GLN  22           HN       GLN  22  -5.818 -10.086   8.043
  166    HA   GLN  22           HA       GLN  22  -8.138  -8.519   7.266
  167    HB2  GLN  22           HB2      GLN  22  -7.856 -11.306   8.368
  168    HB3  GLN  22           HB1      GLN  22  -9.420 -10.552   8.141
  169    HG2  GLN  22           HG2      GLN  22  -7.402 -11.079   5.966
  170    HG3  GLN  22           HG1      GLN  22  -8.800 -12.082   6.333
  171   HE21  GLN  22          HE21      GLN  22 -10.497  -9.659   6.838
  172   HE22  GLN  22          HE22      GLN  22 -10.884  -9.020   5.296
  173    H    VAL  23           HN       VAL  23  -6.385  -7.975   9.572
  174    HA   VAL  23           HA       VAL  23  -8.343  -7.963  11.751
  175    HB   VAL  23           HB       VAL  23  -6.331  -7.302  13.214
  176   HG11  VAL  23          HG11      VAL  23  -5.564  -9.631  13.445
  177   HG12  VAL  23          HG12      VAL  23  -6.317 -10.021  11.895
  178   HG13  VAL  23          HG13      VAL  23  -7.317  -9.535  13.264
  179   HG21  VAL  23          HG21      VAL  23  -4.821  -8.318  10.805
  180   HG22  VAL  23          HG22      VAL  23  -4.115  -7.959  12.380
  181   HG23  VAL  23          HG23      VAL  23  -4.816  -6.664  11.409
  182    H    SER  24           HN       SER  24  -8.344  -5.852  13.037
  183    HA   SER  24           HA       SER  24  -8.272  -3.841  10.915
  184    HB2  SER  24           HB2      SER  24 -10.193  -3.900  13.228
  185    HB3  SER  24           HB1      SER  24 -10.235  -2.854  11.824
  186    HG   SER  24           HG       SER  24 -10.182  -5.632  11.493
  187    H    ASN  25           HN       ASN  25  -7.865  -1.721  11.341
  188    HA   ASN  25           HA       ASN  25  -6.989  -0.612  13.808
  189    HB2  ASN  25           HB2      ASN  25  -5.091  -1.562  11.757
  190    HB3  ASN  25           HB1      ASN  25  -4.750   0.012  12.480
  191   HD21  ASN  25          HD21      ASN  25  -3.076  -2.188  12.652
  192   HD22  ASN  25          HD22      ASN  25  -2.970  -2.664  14.284
  193    H    THR  26           HN       THR  26  -6.140   1.708  13.228
  194    HA   THR  26           HA       THR  26  -7.602   2.705  10.966
  195    HB   THR  26           HB       THR  26  -6.617   4.918  11.736
  196    HG1  THR  26           HG1      THR  26  -5.114   4.849  13.002
  197   HG21  THR  26          HG21      THR  26  -8.267   3.367  13.753
  198   HG22  THR  26          HG22      THR  26  -8.874   4.387  12.432
  199   HG23  THR  26          HG23      THR  26  -8.032   5.113  13.775
  200    H    TRP  27           HN       TRP  27  -6.193   4.383   9.629
  201    HA   TRP  27           HA       TRP  27  -4.511   2.824   8.037
  202    HB2  TRP  27           HB2      TRP  27  -5.688   4.803   7.186
  203    HB3  TRP  27           HB1      TRP  27  -4.652   5.834   8.167
  204    HD1  TRP  27           HD1      TRP  27  -4.551   3.634   5.032
  205    HE1  TRP  27           HE1      TRP  27  -2.522   4.275   3.633
  206    HE3  TRP  27           HE3      TRP  27  -2.396   6.924   8.267
  207    HZ2  TRP  27           HZ2      TRP  27  -0.269   6.003   3.859
  208    HZ3  TRP  27           HZ3      TRP  27  -0.327   8.028   7.632
  209    HH2  TRP  27           HH2      TRP  27   0.737   7.586   5.460
  210    H    GLU  28           HN       GLU  28  -3.548   5.366  10.359
  211    HA   GLU  28           HA       GLU  28  -0.809   5.063   9.737
  212    HB2  GLU  28           HB2      GLU  28  -1.117   6.298  12.290
  213    HB3  GLU  28           HB1      GLU  28  -0.584   7.021  10.785
  214    HG2  GLU  28           HG2      GLU  28  -2.373   8.317  11.568
  215    HG3  GLU  28           HG1      GLU  28  -3.038   7.362  10.252
  216    H    GLU  29           HN       GLU  29  -2.925   3.629  12.052
  217    HA   GLU  29           HA       GLU  29  -0.958   2.601  13.771
  218    HB2  GLU  29           HB2      GLU  29  -3.375   3.006  14.234
  219    HB3  GLU  29           HB1      GLU  29  -3.748   1.637  13.205
  220    HG2  GLU  29           HG2      GLU  29  -3.834   1.140  15.516
  221    HG3  GLU  29           HG1      GLU  29  -2.601   0.153  14.710
  222    H    GLY  30           HN       GLY  30  -2.773   1.266  10.988
  223    HA2  GLY  30           HA2      GLY  30  -1.565  -1.317  10.991
  224    HA3  GLY  30           HA1      GLY  30  -2.333  -0.590   9.611
  225    H    LEU  31           HN       LEU  31  -0.645   1.719   9.623
  226    HA   LEU  31           HA       LEU  31   1.471   0.998   7.971
  227    HB2  LEU  31           HB2      LEU  31   0.413   3.292   8.366
  228    HB3  LEU  31           HB1      LEU  31   1.348   3.389   9.824
  229    HG   LEU  31           HG       LEU  31   2.535   3.300   7.030
  230   HD11  LEU  31          HD11      LEU  31   1.227   5.320   7.428
  231   HD12  LEU  31          HD12      LEU  31   2.964   5.670   7.397
  232   HD13  LEU  31          HD13      LEU  31   2.109   5.576   8.938
  233   HD21  LEU  31          HD21      LEU  31   4.059   2.501   8.794
  234   HD22  LEU  31          HD22      LEU  31   3.807   4.008   9.679
  235   HD23  LEU  31          HD23      LEU  31   4.591   4.028   8.096
  236    H    VAL  32           HN       VAL  32   1.447   1.773  11.425
  237    HA   VAL  32           HA       VAL  32   4.188   1.246  11.814
  238    HB   VAL  32           HB       VAL  32   1.987   1.349  13.904
  239   HG11  VAL  32          HG11      VAL  32   4.979   1.637  14.199
  240   HG12  VAL  32          HG12      VAL  32   4.007   0.280  14.772
  241   HG13  VAL  32          HG13      VAL  32   3.795   1.884  15.478
  242   HG21  VAL  32          HG21      VAL  32   2.721   3.679  14.231
  243   HG22  VAL  32          HG22      VAL  32   2.090   3.397  12.611
  244   HG23  VAL  32          HG23      VAL  32   3.831   3.497  12.873
  245    H    ASP  33           HN       ASP  33   1.288  -0.731  12.112
  246    HA   ASP  33           HA       ASP  33   2.504  -2.979  13.258
  247    HB2  ASP  33           HB2      ASP  33   0.004  -2.568  11.794
  248    HB3  ASP  33           HB1      ASP  33   0.589  -4.207  11.727
  249    H    CYS  34           HN       CYS  34   2.385  -2.002   9.911
  250    HA   CYS  34           HA       CYS  34   3.598  -4.360   8.946
  251    HB2  CYS  34           HB2      CYS  34   3.773  -1.562   7.822
  252    HB3  CYS  34           HB1      CYS  34   4.222  -3.004   6.958
  253    H    ASP  35           HN       ASP  35   4.896  -1.301  10.139
  254    HA   ASP  35           HA       ASP  35   7.632  -1.863   9.767
  255    HB2  ASP  35           HB2      ASP  35   6.260  -0.124  11.825
  256    HB3  ASP  35           HB1      ASP  35   8.003  -0.226  11.699
  257    H    GLY  36           HN       GLY  36   5.361  -2.867  12.146
  258    HA2  GLY  36           HA2      GLY  36   6.998  -3.822  14.190
  259    HA3  GLY  36           HA1      GLY  36   5.423  -4.481  13.766
  260    H    LYS  37           HN       LYS  37   6.165  -5.329  11.109
  261    HA   LYS  37           HA       LYS  37   7.742  -7.684  11.873
  262    HB2  LYS  37           HB2      LYS  37   6.230  -7.228   9.279
  263    HB3  LYS  37           HB1      LYS  37   7.073  -8.685   9.716
  264    HG2  LYS  37           HG2      LYS  37   4.873  -9.250  10.093
  265    HG3  LYS  37           HG1      LYS  37   5.408  -8.775  11.696
  266    HD2  LYS  37           HD2      LYS  37   4.386  -6.616  11.472
  267    HD3  LYS  37           HD1      LYS  37   4.007  -6.925   9.780
  268    HE2  LYS  37           HE2      LYS  37   2.023  -7.211  11.117
  269    HE3  LYS  37           HE1      LYS  37   2.536  -8.761  10.463
  270    HZ1  LYS  37           HZ1      LYS  37   1.875  -8.890  12.805
  271    HZ2  LYS  37           HZ2      LYS  37   3.093  -7.813  13.228
  272    HZ3  LYS  37           HZ3      LYS  37   3.496  -9.325  12.622
  273    H    GLY  38           HN       GLY  38   8.584  -4.768  11.004
  274    HA2  GLY  38           HA2      GLY  38  10.318  -3.826   9.866
  275    HA3  GLY  38           HA1      GLY  38  10.992  -5.446   9.687
  276    H    ALA  39           HN       ALA  39   7.966  -4.091   8.618
  277    HA   ALA  39           HA       ALA  39   8.676  -4.620   5.845
  278    HB1  ALA  39           HB1      ALA  39   6.085  -5.227   7.270
  279    HB2  ALA  39           HB2      ALA  39   7.288  -6.422   6.745
  280    HB3  ALA  39           HB3      ALA  39   6.385  -5.482   5.546
  281    H    THR  40           HN       THR  40   6.763  -3.369   4.514
  282    HA   THR  40           HA       THR  40   6.359  -0.821   5.872
  283    HB   THR  40           HB       THR  40   6.381   0.012   3.350
  284    HG1  THR  40           HG1      THR  40   8.025  -2.293   3.334
  285   HG21  THR  40          HG21      THR  40   8.900  -0.566   4.930
  286   HG22  THR  40          HG22      THR  40   7.866   0.860   5.095
  287   HG23  THR  40          HG23      THR  40   8.762   0.594   3.607
  288    H    LEU  41           HN       LEU  41   4.376   0.279   5.404
  289    HA   LEU  41           HA       LEU  41   2.131  -1.356   4.827
  290    HB2  LEU  41           HB2      LEU  41   2.174   0.863   6.139
  291    HB3  LEU  41           HB1      LEU  41   2.270   1.659   4.594
  292    HG   LEU  41           HG       LEU  41   0.066   0.694   3.963
  293   HD11  LEU  41          HD11      LEU  41  -1.370  -0.255   5.688
  294   HD12  LEU  41          HD12      LEU  41  -0.057  -0.218   6.849
  295   HD13  LEU  41          HD13      LEU  41   0.048  -1.264   5.433
  296   HD21  LEU  41          HD21      LEU  41   0.260   2.958   4.880
  297   HD22  LEU  41          HD22      LEU  41   0.074   2.307   6.507
  298   HD23  LEU  41          HD23      LEU  41  -1.255   2.191   5.354
  299    H    MET  42           HN       MET  42   1.287  -1.893   2.942
  300    HA   MET  42           HA       MET  42   2.666  -2.354   0.759
  301    HB2  MET  42           HB2      MET  42   0.504  -3.278   1.111
  302    HB3  MET  42           HB1      MET  42  -0.250  -1.725   0.789
  303    HG2  MET  42           HG2      MET  42  -0.457  -3.259  -1.104
  304    HG3  MET  42           HG1      MET  42   0.461  -1.829  -1.541
  305    HE1  MET  42           HE1      MET  42   1.499  -2.925  -3.695
  306    HE2  MET  42           HE2      MET  42   0.419  -4.271  -3.347
  307    HE3  MET  42           HE3      MET  42   2.118  -4.580  -3.721
  308    H    LEU  43           HN       LEU  43   3.706  -1.455  -0.729
  309    HA   LEU  43           HA       LEU  43   3.039   1.219  -1.790
  310    HB2  LEU  43           HB2      LEU  43   5.690  -0.270  -1.760
  311    HB3  LEU  43           HB1      LEU  43   5.412   1.191  -2.665
  312    HG   LEU  43           HG       LEU  43   6.601   1.901  -0.837
  313   HD11  LEU  43          HD11      LEU  43   3.764   2.342  -0.049
  314   HD12  LEU  43          HD12      LEU  43   4.726   3.280  -1.192
  315   HD13  LEU  43          HD13      LEU  43   5.166   3.258   0.516
  316   HD21  LEU  43          HD21      LEU  43   4.898   0.220   0.992
  317   HD22  LEU  43          HD22      LEU  43   6.200   1.312   1.481
  318   HD23  LEU  43          HD23      LEU  43   6.563  -0.112   0.506
  319    H    ILE  44           HN       ILE  44   1.976   0.975  -3.644
  320    HA   ILE  44           HA       ILE  44   2.265  -1.485  -5.216
  321    HB   ILE  44           HB       ILE  44   0.258   0.751  -5.564
  322   HG12  ILE  44          HG12      ILE  44  -0.175  -1.830  -4.061
  323   HG13  ILE  44          HG11      ILE  44   0.224  -0.314  -3.257
  324   HG21  ILE  44          HG21      ILE  44  -1.043  -0.911  -6.749
  325   HG22  ILE  44          HG22      ILE  44   0.170  -2.137  -6.415
  326   HG23  ILE  44          HG23      ILE  44   0.561  -0.779  -7.477
  327   HD11  ILE  44          HD11      ILE  44  -2.159  -0.858  -4.970
  328   HD12  ILE  44          HD12      ILE  44  -1.841   0.659  -4.118
  329   HD13  ILE  44          HD13      ILE  44  -2.156  -0.826  -3.212
  330    H    GLN  45           HN       GLN  45   3.670  -1.370  -6.871
  331    HA   GLN  45           HA       GLN  45   4.201   1.232  -8.096
  332    HB2  GLN  45           HB2      GLN  45   5.716  -1.346  -8.048
  333    HB3  GLN  45           HB1      GLN  45   6.049  -0.162  -9.293
  334    HG2  GLN  45           HG2      GLN  45   7.636  -0.061  -7.424
  335    HG3  GLN  45           HG1      GLN  45   6.751   1.442  -7.629
  336   HE21  GLN  45          HE21      GLN  45   5.432   2.138  -6.011
  337   HE22  GLN  45          HE22      GLN  45   5.362   1.391  -4.460
  338    H    ASP  46           HN       ASP  46   2.632  -1.776  -8.784
  339    HA   ASP  46           HA       ASP  46   2.203  -0.889 -11.550
  340    HB2  ASP  46           HB2      ASP  46   3.036  -3.691 -10.749
  341    HB3  ASP  46           HB1      ASP  46   2.448  -3.238 -12.335
  342    H    GLN  47           HN       GLN  47   0.366  -1.909 -12.557
  343    HA   GLN  47           HA       GLN  47  -1.894  -2.170 -10.845
  344    HB2  GLN  47           HB2      GLN  47  -1.572  -1.611 -13.473
  345    HB3  GLN  47           HB1      GLN  47  -1.913  -3.327 -13.593
  346    HG2  GLN  47           HG2      GLN  47  -3.697  -1.160 -12.496
  347    HG3  GLN  47           HG1      GLN  47  -3.940  -2.116 -13.952
  348   HE21  GLN  47          HE21      GLN  47  -4.239  -1.941 -10.553
  349   HE22  GLN  47          HE22      GLN  47  -5.149  -3.393 -10.333
  350    H    GLU  48           HN       GLU  48   0.342  -4.319 -12.459
  351    HA   GLU  48           HA       GLU  48  -0.844  -6.790 -12.120
  352    HB2  GLU  48           HB2      GLU  48   2.074  -6.017 -12.194
  353    HB3  GLU  48           HB1      GLU  48   1.513  -7.678 -12.204
  354    HG2  GLU  48           HG2      GLU  48   2.101  -6.974 -14.441
  355    HG3  GLU  48           HG1      GLU  48   0.373  -7.273 -14.337
  356    H    GLU  49           HN       GLU  49   0.896  -4.780  -9.828
  357    HA   GLU  49           HA       GLU  49   1.356  -6.735  -7.857
  358    HB2  GLU  49           HB2      GLU  49   0.782  -3.793  -7.519
  359    HB3  GLU  49           HB1      GLU  49   1.353  -4.810  -6.216
  360    HG2  GLU  49           HG2      GLU  49   2.799  -3.910  -8.691
  361    HG3  GLU  49           HG1      GLU  49   3.218  -3.600  -7.011
  362    H    LEU  50           HN       LEU  50  -1.290  -4.414  -8.286
  363    HA   LEU  50           HA       LEU  50  -2.762  -5.469  -6.146
  364    HB2  LEU  50           HB2      LEU  50  -3.668  -3.646  -8.350
  365    HB3  LEU  50           HB1      LEU  50  -4.728  -4.254  -7.092
  366    HG   LEU  50           HG       LEU  50  -2.272  -2.592  -6.616
  367   HD11  LEU  50          HD11      LEU  50  -4.083  -1.323  -7.660
  368   HD12  LEU  50          HD12      LEU  50  -3.884  -0.847  -5.974
  369   HD13  LEU  50          HD13      LEU  50  -5.205  -1.916  -6.437
  370   HD21  LEU  50          HD21      LEU  50  -3.239  -2.490  -4.287
  371   HD22  LEU  50          HD22      LEU  50  -2.589  -4.044  -4.756
  372   HD23  LEU  50          HD23      LEU  50  -4.331  -3.795  -4.765
  373    H    ARG  51           HN       ARG  51  -2.608  -6.394  -9.435
  374    HA   ARG  51           HA       ARG  51  -4.968  -7.960  -9.467
  375    HB2  ARG  51           HB2      ARG  51  -2.348  -8.226 -10.954
  376    HB3  ARG  51           HB1      ARG  51  -3.698  -9.321 -11.249
  377    HG2  ARG  51           HG2      ARG  51  -3.725  -6.332 -11.623
  378    HG3  ARG  51           HG1      ARG  51  -3.496  -7.519 -12.907
  379    HD2  ARG  51           HD2      ARG  51  -5.721  -8.451 -12.426
  380    HD3  ARG  51           HD1      ARG  51  -5.948  -7.248 -11.157
  381    HE   ARG  51           HE       ARG  51  -5.523  -5.626 -13.093
  382   HH11  ARG  51          HH11      ARG  51  -7.447  -8.630 -13.279
  383   HH12  ARG  51          HH12      ARG  51  -8.380  -8.080 -14.589
  384   HH21  ARG  51          HH21      ARG  51  -6.858  -4.914 -14.905
  385   HH22  ARG  51          HH22      ARG  51  -8.053  -5.964 -15.508
  386    H    PHE  52           HN       PHE  52  -1.688  -8.662  -8.403
  387    HA   PHE  52           HA       PHE  52  -2.320 -11.329  -7.644
  388    HB2  PHE  52           HB2      PHE  52  -0.002 -10.591  -8.150
  389    HB3  PHE  52           HB1      PHE  52  -0.034  -9.576  -6.714
  390    HD1  PHE  52           HD1      PHE  52  -0.067 -13.070  -7.913
  391    HD2  PHE  52           HD2      PHE  52   0.371 -10.486  -4.570
  392    HE1  PHE  52           HE1      PHE  52   0.777 -14.949  -6.583
  393    HE2  PHE  52           HE2      PHE  52   1.213 -12.350  -3.232
  394    HZ   PHE  52           HZ       PHE  52   1.426 -14.595  -4.236
  395    H    LEU  53           HN       LEU  53  -2.578  -8.169  -6.139
  396    HA   LEU  53           HA       LEU  53  -2.980  -9.126  -3.516
  397    HB2  LEU  53           HB2      LEU  53  -3.763  -6.501  -4.819
  398    HB3  LEU  53           HB1      LEU  53  -4.452  -6.959  -3.319
  399    HG   LEU  53           HG       LEU  53  -2.620  -5.468  -2.898
  400   HD11  LEU  53          HD11      LEU  53  -3.061  -7.170  -1.250
  401   HD12  LEU  53          HD12      LEU  53  -1.348  -6.729  -1.330
  402   HD13  LEU  53          HD13      LEU  53  -1.891  -8.244  -2.036
  403   HD21  LEU  53          HD21      LEU  53  -0.875  -7.497  -4.264
  404   HD22  LEU  53          HD22      LEU  53  -0.300  -6.137  -3.310
  405   HD23  LEU  53          HD23      LEU  53  -1.189  -5.844  -4.803
  406    H    LEU  54           HN       LEU  54  -5.180  -8.326  -6.101
  407    HA   LEU  54           HA       LEU  54  -7.531  -8.919  -4.773
  408    HB2  LEU  54           HB2      LEU  54  -6.901  -9.260  -7.693
  409    HB3  LEU  54           HB1      LEU  54  -8.520  -9.197  -7.053
  410    HG   LEU  54           HG       LEU  54  -6.481  -7.006  -7.182
  411   HD11  LEU  54          HD11      LEU  54  -8.204  -5.820  -8.434
  412   HD12  LEU  54          HD12      LEU  54  -9.254  -7.229  -8.300
  413   HD13  LEU  54          HD13      LEU  54  -7.742  -7.342  -9.201
  414   HD21  LEU  54          HD21      LEU  54  -7.443  -6.832  -5.008
  415   HD22  LEU  54          HD22      LEU  54  -9.086  -6.980  -5.645
  416   HD23  LEU  54          HD23      LEU  54  -8.116  -5.547  -6.013
  417    H    ASP  55           HN       ASP  55  -5.330 -11.111  -6.383
  418    HA   ASP  55           HA       ASP  55  -6.955 -13.415  -6.034
  419    HB2  ASP  55           HB2      ASP  55  -4.034 -13.069  -6.586
  420    HB3  ASP  55           HB1      ASP  55  -4.681 -14.647  -6.204
  421    H    SER  56           HN       SER  56  -4.450 -11.954  -4.032
  422    HA   SER  56           HA       SER  56  -4.532 -14.142  -2.201
  423    HB2  SER  56           HB2      SER  56  -2.872 -12.673  -0.903
  424    HB3  SER  56           HB1      SER  56  -2.383 -13.259  -2.493
  425    HG   SER  56           HG       SER  56  -2.641 -11.278  -3.330
  426    H    ILE  57           HN       ILE  57  -5.901 -11.008  -2.445
  427    HA   ILE  57           HA       ILE  57  -6.906 -10.599   0.148
  428    HB   ILE  57           HB       ILE  57  -8.019  -9.793  -2.555
  429   HG12  ILE  57          HG12      ILE  57  -5.873  -8.728  -2.079
  430   HG13  ILE  57          HG11      ILE  57  -7.172  -7.550  -2.088
  431   HG21  ILE  57          HG21      ILE  57  -9.831  -9.804  -1.058
  432   HG22  ILE  57          HG22      ILE  57  -9.369  -8.133  -1.408
  433   HG23  ILE  57          HG23      ILE  57  -8.925  -8.870   0.134
  434   HD11  ILE  57          HD11      ILE  57  -7.149  -7.497   0.331
  435   HD12  ILE  57          HD12      ILE  57  -5.551  -7.143  -0.337
  436   HD13  ILE  57          HD13      ILE  57  -5.887  -8.729   0.351
  437    H    LYS  58           HN       LYS  58  -8.242 -12.143  -2.708
  438    HA   LYS  58           HA       LYS  58  -9.782 -13.685  -3.119
  439    HB2  LYS  58           HB2      LYS  58  -8.616 -15.131  -1.571
  440    HB3  LYS  58           HB1      LYS  58  -9.408 -14.385  -0.199
  441    HG2  LYS  58           HG2      LYS  58 -10.298 -16.619  -0.714
  442    HG3  LYS  58           HG1      LYS  58 -11.526 -15.364  -0.841
  443    HD2  LYS  58           HD2      LYS  58 -11.295 -15.357  -3.257
  444    HD3  LYS  58           HD1      LYS  58 -10.014 -16.573  -3.169
  445    HE2  LYS  58           HE2      LYS  58 -11.580 -18.177  -2.229
  446    HE3  LYS  58           HE1      LYS  58 -12.852 -16.965  -2.201
  447    HZ1  LYS  58           HZ1      LYS  58 -11.538 -18.016  -4.648
  448    HZ2  LYS  58           HZ2      LYS  58 -12.792 -16.881  -4.606
  449    HZ3  LYS  58           HZ3      LYS  58 -13.061 -18.456  -4.090
  450    H    GLU  59           HN       GLU  59 -10.779 -12.555   0.085
  451    HA   GLU  59           HA       GLU  59 -13.527 -12.728  -0.565
  452    HB2  GLU  59           HB2      GLU  59 -12.194 -11.296   1.706
  453    HB3  GLU  59           HB1      GLU  59 -13.931 -11.462   1.529
  454    HG2  GLU  59           HG2      GLU  59 -13.555 -13.958   1.490
  455    HG3  GLU  59           HG1      GLU  59 -11.900 -13.611   2.002
  456    H    LYS  60           HN       LYS  60 -11.413  -9.944  -0.283
  457    HA   LYS  60           HA       LYS  60 -11.388  -7.937  -1.323
  458    HB2  LYS  60           HB2      LYS  60 -13.760  -8.902  -2.921
  459    HB3  LYS  60           HB1      LYS  60 -12.853  -7.435  -3.228
  460    HG2  LYS  60           HG2      LYS  60 -10.855  -8.776  -3.703
  461    HG3  LYS  60           HG1      LYS  60 -11.810 -10.233  -3.367
  462    HD2  LYS  60           HD2      LYS  60 -13.300  -9.737  -5.181
  463    HD3  LYS  60           HD1      LYS  60 -12.462  -8.219  -5.500
  464    HE2  LYS  60           HE2      LYS  60 -10.461  -9.413  -6.117
  465    HE3  LYS  60           HE1      LYS  60 -11.212 -10.955  -5.700
  466    HZ1  LYS  60           HZ1      LYS  60 -11.299 -10.511  -8.110
  467    HZ2  LYS  60           HZ2      LYS  60 -12.187  -9.096  -7.795
  468    HZ3  LYS  60           HZ3      LYS  60 -12.830 -10.593  -7.414
  469    H    TYR  61           HN       TYR  61 -14.513  -8.946  -0.193
  470    HA   TYR  61           HA       TYR  61 -15.652  -6.339  -0.090
  471    HB2  TYR  61           HB2      TYR  61 -16.613  -8.920   1.116
  472    HB3  TYR  61           HB1      TYR  61 -17.564  -7.436   0.992
  473    HD1  TYR  61           HD1      TYR  61 -17.675  -6.403  -1.360
  474    HD2  TYR  61           HD2      TYR  61 -16.733 -10.440  -0.598
  475    HE1  TYR  61           HE1      TYR  61 -18.322  -6.973  -3.672
  476    HE2  TYR  61           HE2      TYR  61 -17.344 -11.044  -2.897
  477    HH   TYR  61           HH       TYR  61 -17.803  -8.713  -5.289
  478    H    ASN  62           HN       ASN  62 -13.372  -6.334   1.292
  479    HA   ASN  62           HA       ASN  62 -14.303  -5.370   3.914
  480    HB2  ASN  62           HB2      ASN  62 -11.633  -6.725   3.359
  481    HB3  ASN  62           HB1      ASN  62 -11.970  -5.813   4.811
  482   HD21  ASN  62          HD21      ASN  62 -12.150  -8.825   3.253
  483   HD22  ASN  62          HD22      ASN  62 -12.914  -9.657   4.562
  484    H    SER  63           HN       SER  63 -11.885  -4.112   4.556
  485    HA   SER  63           HA       SER  63 -11.180  -2.539   2.230
  486    HB2  SER  63           HB2      SER  63 -12.037  -1.338   4.886
  487    HB3  SER  63           HB1      SER  63 -11.388  -0.436   3.518
  488    HG   SER  63           HG       SER  63 -13.246  -1.602   2.382
  489    H    PHE  64           HN       PHE  64  -9.062  -2.577   2.081
  490    HA   PHE  64           HA       PHE  64  -7.484  -3.027   4.547
  491    HB2  PHE  64           HB2      PHE  64  -6.525  -3.892   1.830
  492    HB3  PHE  64           HB1      PHE  64  -6.053  -4.466   3.425
  493    HD1  PHE  64           HD2      PHE  64  -7.672  -5.909   4.707
  494    HD2  PHE  64           HD1      PHE  64  -8.168  -4.953   0.615
  495    HE1  PHE  64           HE2      PHE  64  -9.273  -7.760   4.458
  496    HE2  PHE  64           HE1      PHE  64  -9.702  -6.715   0.310
  497    HZ   PHE  64           HZ       PHE  64 -10.310  -8.192   2.248
  498    H    TRP  65           HN       TRP  65  -6.356  -1.284   4.991
  499    HA   TRP  65           HA       TRP  65  -5.884   0.931   3.344
  500    HB2  TRP  65           HB2      TRP  65  -4.287   0.036   5.742
  501    HB3  TRP  65           HB1      TRP  65  -4.264   1.635   5.041
  502    HD1  TRP  65           HD1      TRP  65  -5.661  -0.171   7.854
  503    HE1  TRP  65           HE1      TRP  65  -7.650   1.052   8.894
  504    HE3  TRP  65           HE3      TRP  65  -6.637   3.127   4.064
  505    HZ2  TRP  65           HZ2      TRP  65  -9.401   3.136   8.205
  506    HZ3  TRP  65           HZ3      TRP  65  -8.499   4.703   4.350
  507    HH2  TRP  65           HH2      TRP  65  -9.851   4.697   6.399
  508    H    ILE  66           HN       ILE  66  -4.266   1.437   1.970
  509    HA   ILE  66           HA       ILE  66  -1.811  -0.121   2.157
  510    HB   ILE  66           HB       ILE  66  -1.272   0.300  -0.225
  511   HG12  ILE  66          HG12      ILE  66  -2.856   2.313  -0.499
  512   HG13  ILE  66          HG11      ILE  66  -2.735   1.208  -1.854
  513   HG21  ILE  66          HG21      ILE  66  -2.166  -1.834   0.301
  514   HG22  ILE  66          HG22      ILE  66  -2.778  -1.339  -1.268
  515   HG23  ILE  66          HG23      ILE  66  -3.817  -1.237   0.153
  516   HD11  ILE  66          HD11      ILE  66  -4.970   1.283   0.162
  517   HD12  ILE  66          HD12      ILE  66  -4.861   0.189  -1.221
  518   HD13  ILE  66          HD13      ILE  66  -5.027   1.924  -1.480
  519    H    GLY  67           HN       GLY  67   0.049   1.411   0.967
  520    HA2  GLY  67           HA2      GLY  67   0.149   3.541   2.885
  521    HA3  GLY  67           HA1      GLY  67   1.391   3.112   1.730
  522    H    LEU  68           HN       LEU  68  -1.940   4.203   1.348
  523    HA   LEU  68           HA       LEU  68  -0.960   6.380  -0.343
  524    HB2  LEU  68           HB2      LEU  68  -3.370   4.659  -0.554
  525    HB3  LEU  68           HB1      LEU  68  -3.384   6.260  -1.262
  526    HG   LEU  68           HG       LEU  68  -1.371   4.122  -1.958
  527   HD11  LEU  68          HD11      LEU  68  -3.829   5.066  -3.432
  528   HD12  LEU  68          HD12      LEU  68  -3.655   3.502  -2.630
  529   HD13  LEU  68          HD13      LEU  68  -2.649   3.896  -4.024
  530   HD21  LEU  68          HD21      LEU  68  -0.844   5.603  -3.799
  531   HD22  LEU  68          HD22      LEU  68  -0.614   6.454  -2.279
  532   HD23  LEU  68          HD23      LEU  68  -2.059   6.749  -3.253
  533    H    ARG  69           HN       ARG  69  -1.234   8.292   0.372
  534    HA   ARG  69           HA       ARG  69  -3.491   8.935   2.128
  535    HB2  ARG  69           HB2      ARG  69  -1.893  10.534   3.281
  536    HB3  ARG  69           HB1      ARG  69  -1.589   8.827   3.585
  537    HG2  ARG  69           HG2      ARG  69   0.162   8.860   1.854
  538    HG3  ARG  69           HG1      ARG  69  -0.117  10.582   1.637
  539    HD2  ARG  69           HD2      ARG  69   0.657  11.052   3.830
  540    HD3  ARG  69           HD1      ARG  69   0.699   9.338   4.250
  541    HE   ARG  69           HE       ARG  69   2.310   9.572   2.064
  542   HH11  ARG  69          HH11      ARG  69   2.290  11.088   5.261
  543   HH12  ARG  69          HH12      ARG  69   3.987  11.222   5.349
  544   HH21  ARG  69          HH21      ARG  69   4.654   9.739   2.207
  545   HH22  ARG  69          HH22      ARG  69   5.354  10.440   3.584
  546    H    TYR  70           HN       TYR  70  -4.583  10.777   1.536
  547    HA   TYR  70           HA       TYR  70  -3.727  12.081  -0.909
  548    HB2  TYR  70           HB2      TYR  70  -6.077  11.330  -0.615
  549    HB3  TYR  70           HB1      TYR  70  -6.247  12.328   0.799
  550    HD1  TYR  70           HD2      TYR  70  -5.044  12.983  -2.706
  551    HD2  TYR  70           HD1      TYR  70  -7.718  13.970   0.433
  552    HE1  TYR  70           HE2      TYR  70  -6.027  14.770  -4.106
  553    HE2  TYR  70           HE1      TYR  70  -8.706  15.752  -0.963
  554    HH   TYR  70           HH       TYR  70  -7.977  17.244  -2.997
  555    H    THR  71           HN       THR  71  -2.415  13.758  -0.738
  556    HA   THR  71           HA       THR  71  -2.198  15.020   1.874
  557    HB   THR  71           HB       THR  71   0.025  15.834   1.063
  558    HG1  THR  71           HG1      THR  71  -0.667  14.261  -1.242
  559   HG21  THR  71          HG21      THR  71  -0.418  12.845   0.963
  560   HG22  THR  71          HG22      THR  71  -0.147  13.806   2.418
  561   HG23  THR  71          HG23      THR  71   1.135  13.641   1.218
  562    H    LEU  72           HN       LEU  72  -2.993  16.943   2.189
  563    HA   LEU  72           HA       LEU  72  -3.087  18.749  -0.092
  564    HB2  LEU  72           HB2      LEU  72  -5.092  18.551   2.151
  565    HB3  LEU  72           HB1      LEU  72  -5.088  19.813   0.936
  566    HG   LEU  72           HG       LEU  72  -5.583  16.872   0.479
  567   HD11  LEU  72          HD11      LEU  72  -7.297  19.291   0.122
  568   HD12  LEU  72          HD12      LEU  72  -7.499  18.033   1.374
  569   HD13  LEU  72          HD13      LEU  72  -7.689  17.652  -0.353
  570   HD21  LEU  72          HD21      LEU  72  -5.989  17.490  -1.846
  571   HD22  LEU  72          HD22      LEU  72  -4.315  17.712  -1.367
  572   HD23  LEU  72          HD23      LEU  72  -5.382  19.110  -1.515
  573    HA   PRO  73           HA       PRO  73  -3.563  20.720  -0.484
  574    HB2  PRO  73           HB2      PRO  73  -1.880  23.038  -0.857
  575    HB3  PRO  73           HB1      PRO  73  -3.615  23.008  -0.488
  576    HG2  PRO  73           HG2      PRO  73  -1.775  23.962   1.252
  577    HG3  PRO  73           HG1      PRO  73  -3.306  23.216   1.754
  578    HD2  PRO  73           HD2      PRO  73  -0.584  21.973   1.614
  579    HD3  PRO  73           HD1      PRO  73  -1.794  21.880   2.918
  580    H    ASP  74           HN       ASP  74  -2.903  19.713  -2.270
  581    HA   ASP  74           HA       ASP  74  -0.518  20.029  -3.667
  582    HB2  ASP  74           HB2      ASP  74   0.455  18.845  -1.627
  583    HB3  ASP  74           HB1      ASP  74  -0.531  17.460  -2.057
  584    H    MET  75           HN       MET  75  -2.737  17.600  -2.507
  585    HA   MET  75           HA       MET  75  -4.390  16.410  -3.423
  586    HB2  MET  75           HB2      MET  75  -3.920  18.208  -5.750
  587    HB3  MET  75           HB1      MET  75  -4.999  16.832  -5.902
  588    HG2  MET  75           HG2      MET  75  -6.427  17.665  -4.242
  589    HG3  MET  75           HG1      MET  75  -5.398  19.001  -3.798
  590    HE1  MET  75           HE1      MET  75  -5.561  21.016  -7.261
  591    HE2  MET  75           HE2      MET  75  -4.455  19.688  -6.974
  592    HE3  MET  75           HE3      MET  75  -4.726  20.895  -5.715
  593    H    ASN  76           HN       ASN  76  -1.301  15.962  -4.077
  594    HA   ASN  76           HA       ASN  76  -1.891  13.762  -5.881
  595    HB2  ASN  76           HB2      ASN  76   0.754  14.756  -4.809
  596    HB3  ASN  76           HB1      ASN  76   0.582  13.289  -5.753
  597   HD21  ASN  76          HD21      ASN  76  -1.469  14.551  -7.576
  598   HD22  ASN  76          HD22      ASN  76  -0.517  15.590  -8.555
  599    H    TRP  77           HN       TRP  77  -1.613  11.684  -5.337
  600    HA   TRP  77           HA       TRP  77  -1.799  11.106  -2.523
  601    HB2  TRP  77           HB2      TRP  77  -2.033   9.428  -5.007
  602    HB3  TRP  77           HB1      TRP  77  -2.046   8.747  -3.383
  603    HD1  TRP  77           HD1      TRP  77  -4.167  11.001  -5.689
  604    HE1  TRP  77           HE1      TRP  77  -6.598  10.938  -4.788
  605    HE3  TRP  77           HE3      TRP  77  -3.400   8.345  -1.439
  606    HZ2  TRP  77           HZ2      TRP  77  -7.966   9.929  -2.586
  607    HZ3  TRP  77           HZ3      TRP  77  -5.312   7.860   0.019
  608    HH2  TRP  77           HH2      TRP  77  -7.544   8.638  -0.543
  609    H    LYS  78           HN       LYS  78  -0.116  10.655  -1.390
  610    HA   LYS  78           HA       LYS  78   2.334   9.867  -2.796
  611    HB2  LYS  78           HB2      LYS  78   2.093  11.362  -0.180
  612    HB3  LYS  78           HB1      LYS  78   3.588  10.945  -1.011
  613    HG2  LYS  78           HG2      LYS  78   2.967  12.292  -2.862
  614    HG3  LYS  78           HG1      LYS  78   1.455  12.779  -2.079
  615    HD2  LYS  78           HD2      LYS  78   2.998  13.576  -0.135
  616    HD3  LYS  78           HD1      LYS  78   4.288  13.498  -1.333
  617    HE2  LYS  78           HE2      LYS  78   1.772  15.155  -1.512
  618    HE3  LYS  78           HE1      LYS  78   3.388  15.754  -1.168
  619    HZ1  LYS  78           HZ1      LYS  78   4.058  15.355  -3.363
  620    HZ2  LYS  78           HZ2      LYS  78   2.455  15.951  -3.524
  621    HZ3  LYS  78           HZ3      LYS  78   2.766  14.324  -3.661
  622    H    TRP  79           HN       TRP  79   3.623   8.386  -1.755
  623    HA   TRP  79           HA       TRP  79   2.064   6.584  -0.068
  624    HB2  TRP  79           HB2      TRP  79   4.719   5.919  -1.413
  625    HB3  TRP  79           HB1      TRP  79   3.562   4.867  -0.651
  626    HD1  TRP  79           HD1      TRP  79   3.794   7.109  -3.757
  627    HE1  TRP  79           HE1      TRP  79   2.362   6.059  -5.581
  628    HE3  TRP  79           HE3      TRP  79   1.727   3.324  -1.047
  629    HZ2  TRP  79           HZ2      TRP  79   0.543   3.921  -5.845
  630    HZ3  TRP  79           HZ3      TRP  79   0.125   1.834  -2.156
  631    HH2  TRP  79           HH2      TRP  79  -0.459   2.140  -4.499
  632    H    ILE  80           HN       ILE  80   3.601   5.302   1.490
  633    HA   ILE  80           HA       ILE  80   4.539   7.232   3.361
  634    HB   ILE  80           HB       ILE  80   5.172   5.363   4.805
  635   HG12  ILE  80          HG12      ILE  80   4.331   3.518   2.564
  636   HG13  ILE  80          HG11      ILE  80   6.014   3.914   2.907
  637   HG21  ILE  80          HG21      ILE  80   2.842   6.057   4.773
  638   HG22  ILE  80          HG22      ILE  80   2.954   4.315   5.019
  639   HG23  ILE  80          HG23      ILE  80   2.514   4.955   3.437
  640   HD11  ILE  80          HD11      ILE  80   4.096   2.582   4.821
  641   HD12  ILE  80          HD12      ILE  80   5.805   2.895   5.110
  642   HD13  ILE  80          HD13      ILE  80   5.315   1.753   3.865
  643    H    ASN  81           HN       ASN  81   6.071   5.424   0.864
  644    HA   ASN  81           HA       ASN  81   8.695   5.864   1.964
  645    HB2  ASN  81           HB2      ASN  81   9.581   4.678   0.023
  646    HB3  ASN  81           HB1      ASN  81   8.231   3.774   0.697
  647   HD21  ASN  81          HD21      ASN  81   9.349   3.617  -1.922
  648   HD22  ASN  81          HD22      ASN  81   8.095   4.047  -3.028
  649    H    GLY  82           HN       GLY  82   6.473   7.555   0.158
  650    HA2  GLY  82           HA2      GLY  82   6.799   9.943   0.054
  651    HA3  GLY  82           HA1      GLY  82   8.497   9.652  -0.292
  652    H    SER  83           HN       SER  83   6.898   7.421  -1.955
  653    HA   SER  83           HA       SER  83   7.361   8.569  -4.447
  654    HB2  SER  83           HB2      SER  83   5.932   6.162  -3.484
  655    HB3  SER  83           HB1      SER  83   6.100   6.532  -5.193
  656    HG   SER  83           HG       SER  83   7.987   5.560  -4.953
  657    H    THR  84           HN       THR  84   5.665   8.583  -6.188
  658    HA   THR  84           HA       THR  84   3.209   9.865  -5.255
  659    HB   THR  84           HB       THR  84   4.569  10.055  -7.959
  660    HG1  THR  84           HG1      THR  84   5.775  10.963  -6.223
  661   HG21  THR  84          HG21      THR  84   3.080  12.003  -8.277
  662   HG22  THR  84          HG22      THR  84   2.346  11.699  -6.703
  663   HG23  THR  84          HG23      THR  84   2.143  10.534  -8.008
  664    H    LEU  85           HN       LEU  85   1.359   8.973  -5.765
  665    HA   LEU  85           HA       LEU  85   0.905   6.354  -6.515
  666    HB2  LEU  85           HB2      LEU  85  -0.752   7.600  -5.366
  667    HB3  LEU  85           HB1      LEU  85  -0.887   8.746  -6.687
  668    HG   LEU  85           HG       LEU  85  -1.767   6.858  -8.100
  669   HD11  LEU  85          HD11      LEU  85  -2.667   4.905  -7.044
  670   HD12  LEU  85          HD12      LEU  85  -2.063   5.442  -5.481
  671   HD13  LEU  85          HD13      LEU  85  -0.928   5.010  -6.767
  672   HD21  LEU  85          HD21      LEU  85  -4.013   6.962  -7.174
  673   HD22  LEU  85          HD22      LEU  85  -3.231   8.547  -7.166
  674   HD23  LEU  85          HD23      LEU  85  -3.366   7.620  -5.673
  675    H    ASN  86           HN       ASN  86   0.503   5.259  -8.300
  676    HA   ASN  86           HA       ASN  86   0.513   6.572 -10.895
  677    HB2  ASN  86           HB2      ASN  86   1.873   4.495 -10.600
  678    HB3  ASN  86           HB1      ASN  86   0.411   3.627 -10.154
  679   HD21  ASN  86          HD21      ASN  86   2.248   4.949 -12.744
  680   HD22  ASN  86          HD22      ASN  86   1.307   4.329 -14.040
  681    H    SER  87           HN       SER  87  -1.536   7.523 -10.983
  682    HA   SER  87           HA       SER  87  -3.859   6.307  -9.958
  683    HB2  SER  87           HB2      SER  87  -3.659   8.514 -12.014
  684    HB3  SER  87           HB1      SER  87  -4.997   8.191 -10.911
  685    HG   SER  87           HG       SER  87  -3.346   9.885 -10.362
  686    H    ASP  88           HN       ASP  88  -2.072   5.511 -12.620
  687    HA   ASP  88           HA       ASP  88  -4.186   4.965 -14.478
  688    HB2  ASP  88           HB2      ASP  88  -1.283   4.122 -14.563
  689    HB3  ASP  88           HB1      ASP  88  -2.442   3.874 -15.858
  690    H    VAL  89           HN       VAL  89  -3.214   3.357 -11.672
  691    HA   VAL  89           HA       VAL  89  -3.515   0.796 -12.819
  692    HB   VAL  89           HB       VAL  89  -3.331  -0.154 -10.545
  693   HG11  VAL  89          HG11      VAL  89  -1.313   0.250 -11.781
  694   HG12  VAL  89          HG12      VAL  89  -1.035   0.551 -10.065
  695   HG13  VAL  89          HG13      VAL  89  -1.238   1.905 -11.176
  696   HG21  VAL  89          HG21      VAL  89  -2.800   1.277  -8.617
  697   HG22  VAL  89          HG22      VAL  89  -4.431   1.550  -9.227
  698   HG23  VAL  89          HG23      VAL  89  -3.145   2.710  -9.594
  699    H    LEU  90           HN       LEU  90  -5.576   2.756 -10.641
  700    HA   LEU  90           HA       LEU  90  -7.945   1.453 -11.574
  701    HB2  LEU  90           HB2      LEU  90  -7.014   1.091  -8.717
  702    HB3  LEU  90           HB1      LEU  90  -8.640   0.756  -9.266
  703    HG   LEU  90           HG       LEU  90  -6.192  -0.638 -10.290
  704   HD11  LEU  90          HD11      LEU  90  -6.532  -1.112  -7.896
  705   HD12  LEU  90          HD12      LEU  90  -6.918  -2.540  -8.856
  706   HD13  LEU  90          HD13      LEU  90  -8.216  -1.537  -8.202
  707   HD21  LEU  90          HD21      LEU  90  -9.134  -1.298 -10.543
  708   HD22  LEU  90          HD22      LEU  90  -7.812  -2.311 -11.119
  709   HD23  LEU  90          HD23      LEU  90  -8.072  -0.717 -11.825
  710    H    LYS  91           HN       LYS  91  -9.745   2.265  -9.913
  711    HA   LYS  91           HA       LYS  91  -9.821   5.032 -10.245
  712    HB2  LYS  91           HB2      LYS  91 -11.836   4.951  -8.788
  713    HB3  LYS  91           HB1      LYS  91 -11.931   4.071 -10.322
  714    HG2  LYS  91           HG2      LYS  91 -11.668   1.971  -9.116
  715    HG3  LYS  91           HG1      LYS  91 -11.340   2.843  -7.623
  716    HD2  LYS  91           HD2      LYS  91 -13.904   3.351  -9.038
  717    HD3  LYS  91           HD1      LYS  91 -13.742   1.848  -8.142
  718    HE2  LYS  91           HE2      LYS  91 -14.782   3.559  -6.756
  719    HE3  LYS  91           HE1      LYS  91 -13.215   3.121  -6.103
  720    HZ1  LYS  91           HZ1      LYS  91 -13.658   5.496  -6.051
  721    HZ2  LYS  91           HZ2      LYS  91 -13.786   5.560  -7.710
  722    HZ3  LYS  91           HZ3      LYS  91 -12.304   5.183  -6.984
  723    H    ILE  92           HN       ILE  92  -8.345   6.191  -9.203
  724    HA   ILE  92           HA       ILE  92  -8.950   6.585  -6.369
  725    HB   ILE  92           HB       ILE  92  -6.110   6.729  -7.424
  726   HG12  ILE  92          HG12      ILE  92  -7.567   4.449  -6.075
  727   HG13  ILE  92          HG11      ILE  92  -6.724   4.440  -7.591
  728   HG21  ILE  92          HG21      ILE  92  -6.636   8.099  -5.451
  729   HG22  ILE  92          HG22      ILE  92  -5.562   6.769  -5.013
  730   HG23  ILE  92          HG23      ILE  92  -7.278   6.677  -4.626
  731   HD11  ILE  92          HD11      ILE  92  -4.581   4.734  -6.484
  732   HD12  ILE  92          HD12      ILE  92  -5.414   3.279  -5.921
  733   HD13  ILE  92          HD13      ILE  92  -5.409   4.742  -4.926
  734    H    THR  93           HN       THR  93  -9.924   8.491  -6.595
  735    HA   THR  93           HA       THR  93  -9.200  10.426  -8.566
  736    HB   THR  93           HB       THR  93 -10.973  10.838  -6.152
  737    HG1  THR  93           HG1      THR  93 -11.476   9.570  -8.654
  738   HG21  THR  93          HG21      THR  93 -12.160  12.385  -7.658
  739   HG22  THR  93          HG22      THR  93 -11.013  12.009  -8.942
  740   HG23  THR  93          HG23      THR  93 -10.465  12.840  -7.486
  741    H    GLY  94           HN       GLY  94  -7.854  12.209  -8.329
  742    HA2  GLY  94           HA2      GLY  94  -6.510  12.461  -5.746
  743    HA3  GLY  94           HA1      GLY  94  -5.803  12.875  -7.306
  744    H    ASP  95           HN       ASP  95  -8.988  13.694  -7.086
  745    HA   ASP  95           HA       ASP  95  -8.440  16.173  -5.864
  746    HB2  ASP  95           HB2      ASP  95  -9.652  17.483  -7.691
  747    HB3  ASP  95           HB1      ASP  95  -8.061  16.882  -8.107
  748    H    THR  96           HN       THR  96  -9.672  15.943  -4.242
  749    HA   THR  96           HA       THR  96 -12.548  15.652  -4.616
  750    HB   THR  96           HB       THR  96 -11.858  13.326  -4.467
  751    HG1  THR  96           HG1      THR  96 -13.778  14.089  -3.274
  752   HG21  THR  96          HG21      THR  96  -9.724  13.585  -3.285
  753   HG22  THR  96          HG22      THR  96 -10.737  12.413  -2.449
  754   HG23  THR  96          HG23      THR  96 -10.573  14.048  -1.817
  755    H    GLU  97           HN       GLU  97  -9.879  16.705  -2.725
  756    HA   GLU  97           HA       GLU  97  -9.569  17.794  -0.844
  757    HB2  GLU  97           HB2      GLU  97 -12.285  18.988  -1.407
  758    HB3  GLU  97           HB1      GLU  97 -11.098  19.642  -0.287
  759    HG2  GLU  97           HG2      GLU  97 -10.880  19.415  -3.269
  760    HG3  GLU  97           HG1      GLU  97 -10.925  20.884  -2.297
  761    H    ASN  98           HN       ASN  98  -9.415  16.103   0.484
  762    HA   ASN  98           HA       ASN  98 -11.265  15.960   2.631
  763    HB2  ASN  98           HB2      ASN  98 -10.932  13.617   0.735
  764    HB3  ASN  98           HB1      ASN  98 -11.314  13.361   2.426
  765   HD21  ASN  98          HD21      ASN  98 -12.574  14.226  -0.709
  766   HD22  ASN  98          HD22      ASN  98 -14.188  14.425  -0.197
  767    H    ASP  99           HN       ASP  99 -10.318  14.076   4.114
  768    HA   ASP  99           HA       ASP  99  -7.374  14.392   4.149
  769    HB2  ASP  99           HB2      ASP  99  -8.724  15.325   6.088
  770    HB3  ASP  99           HB1      ASP  99  -9.298  13.701   6.417
  771    H    SER 100           HN       SER 100  -8.971  12.573   2.616
  772    HA   SER 100           HA       SER 100  -9.281  10.039   3.710
  773    HB2  SER 100           HB2      SER 100  -9.062  10.869   0.846
  774    HB3  SER 100           HB1      SER 100  -9.784   9.396   1.470
  775    HG   SER 100           HG       SER 100 -11.152  10.892   2.744
  776    H    CYS 101           HN       CYS 101  -8.278   8.151   3.325
  777    HA   CYS 101           HA       CYS 101  -5.694   8.070   2.015
  778    HB2  CYS 101           HB2      CYS 101  -5.411   6.177   3.972
  779    HB3  CYS 101           HB1      CYS 101  -4.912   7.871   4.218
  780    H    ALA 102           HN       ALA 102  -5.352   5.977   0.992
  781    HA   ALA 102           HA       ALA 102  -7.975   5.008   0.199
  782    HB1  ALA 102           HB1      ALA 102  -5.379   4.597  -1.294
  783    HB2  ALA 102           HB2      ALA 102  -6.545   5.889  -1.599
  784    HB3  ALA 102           HB3      ALA 102  -7.005   4.230  -1.871
  785    H    ALA 103           HN       ALA 103  -8.525   2.927  -0.108
  786    HA   ALA 103           HA       ALA 103  -6.928   0.832   1.111
  787    HB1  ALA 103           HB1      ALA 103  -9.762   1.512   1.937
  788    HB2  ALA 103           HB2      ALA 103  -8.324   1.695   2.942
  789    HB3  ALA 103           HB3      ALA 103  -8.863   0.089   2.457
  790    H    ILE 104           HN       ILE 104  -7.568  -1.188   0.413
  791    HA   ILE 104           HA       ILE 104  -8.957  -1.441  -2.158
  792    HB   ILE 104           HB       ILE 104  -7.806  -3.370  -0.164
  793   HG12  ILE 104          HG12      ILE 104  -6.169  -1.989  -1.477
  794   HG13  ILE 104          HG11      ILE 104  -5.937  -3.728  -1.608
  795   HG21  ILE 104          HG21      ILE 104  -9.612  -4.529  -1.324
  796   HG22  ILE 104          HG22      ILE 104  -8.075  -5.187  -1.873
  797   HG23  ILE 104          HG23      ILE 104  -8.957  -4.047  -2.890
  798   HD11  ILE 104          HD11      ILE 104  -5.635  -2.585  -3.735
  799   HD12  ILE 104          HD12      ILE 104  -7.315  -2.006  -3.660
  800   HD13  ILE 104          HD13      ILE 104  -6.959  -3.742  -3.751
  801    H    SER 105           HN       SER 105 -11.021  -1.508  -2.320
  802    HA   SER 105           HA       SER 105 -12.527  -2.899  -0.275
  803    HB2  SER 105           HB2      SER 105 -12.731  -0.465   0.194
  804    HB3  SER 105           HB1      SER 105 -13.300  -0.207  -1.451
  805    HG   SER 105           HG       SER 105 -15.181  -0.625  -0.752
  806    H    GLY 106           HN       GLY 106 -12.740  -4.587  -1.552
  807    HA2  GLY 106           HA2      GLY 106 -14.165  -5.820  -2.956
  808    HA3  GLY 106           HA1      GLY 106 -14.649  -4.317  -3.735
  809    H    ASP 107           HN       ASP 107 -14.103  -4.381  -5.755
  810    HA   ASP 107           HA       ASP 107 -11.487  -5.505  -6.564
  811    HB2  ASP 107           HB2      ASP 107 -13.895  -4.724  -8.248
  812    HB3  ASP 107           HB1      ASP 107 -12.362  -5.315  -8.864
  813    H    LYS 108           HN       LYS 108 -12.438  -2.807  -5.363
  814    HA   LYS 108           HA       LYS 108 -11.140  -1.091  -7.360
  815    HB2  LYS 108           HB2      LYS 108 -13.466  -0.344  -5.591
  816    HB3  LYS 108           HB1      LYS 108 -12.691   0.665  -6.801
  817    HG2  LYS 108           HG2      LYS 108 -14.314  -1.822  -7.296
  818    HG3  LYS 108           HG1      LYS 108 -14.832  -0.164  -7.577
  819    HD2  LYS 108           HD2      LYS 108 -13.052   0.102  -9.279
  820    HD3  LYS 108           HD1      LYS 108 -12.560  -1.567  -8.965
  821    HE2  LYS 108           HE2      LYS 108 -13.953  -1.316 -10.991
  822    HE3  LYS 108           HE1      LYS 108 -14.626  -2.421  -9.804
  823    HZ1  LYS 108           HZ1      LYS 108 -16.319  -0.943 -10.744
  824    HZ2  LYS 108           HZ2      LYS 108 -15.485   0.411 -10.214
  825    HZ3  LYS 108           HZ3      LYS 108 -16.152  -0.660  -9.102
  826    H    VAL 109           HN       VAL 109 -10.348   0.912  -6.366
  827    HA   VAL 109           HA       VAL 109  -9.453   0.516  -3.611
  828    HB   VAL 109           HB       VAL 109  -8.549   2.724  -5.419
  829   HG11  VAL 109          HG11      VAL 109  -7.945   2.859  -3.113
  830   HG12  VAL 109          HG12      VAL 109  -6.496   2.621  -4.097
  831   HG13  VAL 109          HG13      VAL 109  -7.174   1.274  -3.179
  832   HG21  VAL 109          HG21      VAL 109  -7.367  -0.059  -5.486
  833   HG22  VAL 109          HG22      VAL 109  -6.626   1.386  -6.195
  834   HG23  VAL 109          HG23      VAL 109  -8.168   0.809  -6.805
  835    H    THR 110           HN       THR 110 -10.307   1.954  -2.136
  836    HA   THR 110           HA       THR 110 -11.817   4.197  -3.236
  837    HB   THR 110           HB       THR 110 -13.584   3.838  -1.571
  838    HG1  THR 110           HG1      THR 110 -12.851   2.921   0.197
  839   HG21  THR 110          HG21      THR 110 -13.856   2.556  -3.652
  840   HG22  THR 110          HG22      THR 110 -14.493   1.636  -2.284
  841   HG23  THR 110          HG23      THR 110 -12.913   1.242  -2.961
  842    H    PHE 111           HN       PHE 111 -12.148   5.823  -1.284
  843    HA   PHE 111           HA       PHE 111  -9.905   5.524   0.466
  844    HB2  PHE 111           HB2      PHE 111  -9.369   8.010   0.220
  845    HB3  PHE 111           HB1      PHE 111  -8.857   6.918  -1.039
  846    HD1  PHE 111           HD1      PHE 111 -11.559   9.329  -0.187
  847    HD2  PHE 111           HD2      PHE 111  -9.348   7.350  -3.237
  848    HE1  PHE 111           HE1      PHE 111 -12.595  10.778  -1.873
  849    HE2  PHE 111           HE2      PHE 111 -10.372   8.779  -4.917
  850    HZ   PHE 111           HZ       PHE 111 -12.009  10.508  -4.245
  851    H    GLU 112           HN       GLU 112 -10.099   5.970   2.418
  852    HA   GLU 112           HA       GLU 112 -12.757   6.902   3.294
  853    HB2  GLU 112           HB2      GLU 112 -10.988   4.931   4.736
  854    HB3  GLU 112           HB1      GLU 112 -12.667   5.288   5.039
  855    HG2  GLU 112           HG2      GLU 112 -11.554   3.802   2.663
  856    HG3  GLU 112           HG1      GLU 112 -12.437   3.108   4.018
  857    H    SER 113           HN       SER 113 -12.633   7.737   5.571
  858    HA   SER 113           HA       SER 113 -10.379   9.382   6.151
  859    HB2  SER 113           HB2      SER 113 -12.564   8.387   7.988
  860    HB3  SER 113           HB1      SER 113 -11.566   9.826   8.194
  861    HG   SER 113           HG       SER 113 -13.873   9.686   7.043
  862    H    CYS 114           HN       CYS 114  -8.542   8.767   7.059
  863    HA   CYS 114           HA       CYS 114  -7.609   6.281   7.448
  864    HB2  CYS 114           HB2      CYS 114  -6.809   8.812   8.849
  865    HB3  CYS 114           HB1      CYS 114  -5.809   7.363   8.753
  866    H    ASN 115           HN       ASN 115  -9.601   8.026   9.573
  867    HA   ASN 115           HA       ASN 115  -8.850   6.833  12.085
  868    HB2  ASN 115           HB2      ASN 115 -11.444   8.190  11.671
  869    HB3  ASN 115           HB1      ASN 115 -10.375   8.272  13.049
  870   HD21  ASN 115          HD21      ASN 115 -11.194   9.693  10.016
  871   HD22  ASN 115          HD22      ASN 115 -10.052  10.969  10.010
  872    H    SER 116           HN       SER 116 -10.365   5.367   9.569
  873    HA   SER 116           HA       SER 116 -12.520   4.263  11.152
  874    HB2  SER 116           HB2      SER 116 -13.107   3.105   8.953
  875    HB3  SER 116           HB1      SER 116 -13.257   4.866   8.981
  876    HG   SER 116           HG       SER 116 -11.403   5.027   7.816
  877    H    ASP 117           HN       ASP 117 -12.716   2.174  11.774
  878    HA   ASP 117           HA       ASP 117 -10.253   0.725  12.075
  879    HB2  ASP 117           HB2      ASP 117 -11.952   0.844  13.913
  880    HB3  ASP 117           HB1      ASP 117 -13.067  -0.049  12.882
  881    H    ASN 118           HN       ASN 118  -9.668   0.116  10.113
  882    HA   ASN 118           HA       ASN 118 -11.300  -1.914   8.773
  883    HB2  ASN 118           HB2      ASN 118  -9.805   0.398   7.529
  884    HB3  ASN 118           HB1      ASN 118 -10.177  -1.050   6.606
  885   HD21  ASN 118          HD21      ASN 118 -11.099   1.756   6.342
  886   HD22  ASN 118          HD22      ASN 118 -12.811   1.686   6.349
  887    H    ARG 119           HN       ARG 119  -9.537  -2.868   6.970
  888    HA   ARG 119           HA       ARG 119  -7.502  -3.921   8.814
  889    HB2  ARG 119           HB2      ARG 119  -8.489  -5.157   6.210
  890    HB3  ARG 119           HB1      ARG 119  -7.416  -5.871   7.367
  891    HG2  ARG 119           HG2      ARG 119  -9.508  -6.959   7.542
  892    HG3  ARG 119           HG1      ARG 119  -9.316  -5.965   8.978
  893    HD2  ARG 119           HD2      ARG 119 -10.833  -4.336   8.121
  894    HD3  ARG 119           HD1      ARG 119 -10.867  -5.115   6.548
  895    HE   ARG 119           HE       ARG 119 -11.934  -7.020   7.630
  896   HH11  ARG 119          HH11      ARG 119 -12.109  -3.946   9.432
  897   HH12  ARG 119          HH12      ARG 119 -13.642  -4.299  10.085
  898   HH21  ARG 119          HH21      ARG 119 -13.980  -7.429   8.528
  899   HH22  ARG 119          HH22      ARG 119 -14.718  -6.329   9.603
  900    H    TRP 120           HN       TRP 120  -5.572  -4.850   7.015
  901    HA   TRP 120           HA       TRP 120  -5.073  -2.707   5.160
  902    HB2  TRP 120           HB2      TRP 120  -3.066  -1.817   6.171
  903    HB3  TRP 120           HB1      TRP 120  -4.386  -1.689   7.325
  904    HD1  TRP 120           HD1      TRP 120  -0.983  -3.150   6.842
  905    HE1  TRP 120           HE1      TRP 120  -0.210  -4.328   8.947
  906    HE3  TRP 120           HE3      TRP 120  -5.386  -3.103   9.409
  907    HZ2  TRP 120           HZ2      TRP 120  -1.325  -5.173  11.416
  908    HZ3  TRP 120           HZ3      TRP 120  -5.439  -4.120  11.643
  909    HH2  TRP 120           HH2      TRP 120  -3.452  -5.128  12.621
  910    H    ILE 121           HN       ILE 121  -2.856  -2.913   4.156
  911    HA   ILE 121           HA       ILE 121  -2.076  -5.737   3.999
  912    HB   ILE 121           HB       ILE 121  -2.145  -3.699   1.750
  913   HG12  ILE 121          HG12      ILE 121  -3.606  -6.309   1.902
  914   HG13  ILE 121          HG11      ILE 121  -4.325  -4.841   2.529
  915   HG21  ILE 121          HG21      ILE 121  -0.199  -5.230   1.599
  916   HG22  ILE 121          HG22      ILE 121  -1.363  -5.494   0.306
  917   HG23  ILE 121          HG23      ILE 121  -1.300  -6.609   1.674
  918   HD11  ILE 121          HD11      ILE 121  -3.451  -5.372  -0.307
  919   HD12  ILE 121          HD12      ILE 121  -4.088  -3.839   0.277
  920   HD13  ILE 121          HD13      ILE 121  -5.115  -5.272   0.282
  921    H    CYS 122           HN       CYS 122  -0.090  -6.072   4.493
  922    HA   CYS 122           HA       CYS 122   1.850  -3.853   4.568
  923    HB2  CYS 122           HB2      CYS 122   1.866  -6.573   5.869
  924    HB3  CYS 122           HB1      CYS 122   3.221  -5.465   5.917
  925    H    GLN 123           HN       GLN 123   3.704  -3.999   3.346
  926    HA   GLN 123           HA       GLN 123   4.032  -6.483   1.860
  927    HB2  GLN 123           HB2      GLN 123   5.029  -5.296   0.034
  928    HB3  GLN 123           HB1      GLN 123   3.547  -4.429   0.401
  929    HG2  GLN 123           HG2      GLN 123   4.713  -2.643   1.392
  930    HG3  GLN 123           HG1      GLN 123   6.190  -3.584   1.534
  931   HE21  GLN 123          HE21      GLN 123   7.431  -2.273   0.487
  932   HE22  GLN 123          HE22      GLN 123   7.392  -1.879  -1.187
  933    H    LYS 124           HN       LYS 124   5.888  -7.432   2.256
  934    HA   LYS 124           HA       LYS 124   7.898  -5.866   3.689
  935    HB2  LYS 124           HB2      LYS 124   6.871  -7.951   4.763
  936    HB3  LYS 124           HB1      LYS 124   7.679  -8.868   3.510
  937    HG2  LYS 124           HG2      LYS 124   9.789  -8.417   4.391
  938    HG3  LYS 124           HG1      LYS 124   9.192  -7.043   5.317
  939    HD2  LYS 124           HD2      LYS 124   7.964  -8.414   6.798
  940    HD3  LYS 124           HD1      LYS 124   8.217  -9.833   5.793
  941    HE2  LYS 124           HE2      LYS 124   9.443  -9.663   7.865
  942    HE3  LYS 124           HE1      LYS 124  10.480 -10.001   6.452
  943    HZ1  LYS 124           HZ1      LYS 124  10.966  -7.471   6.630
  944    HZ2  LYS 124           HZ2      LYS 124  11.568  -8.446   7.850
  945    HZ3  LYS 124           HZ3      LYS 124  10.186  -7.558   8.137
  946    H    GLU 125           HN       GLU 125   9.195  -5.138   2.313
  947    HA   GLU 125           HA       GLU 125   9.266  -6.260  -0.311
  948    HB2  GLU 125           HB2      GLU 125   8.930  -3.882   0.124
  949    HB3  GLU 125           HB1      GLU 125  10.539  -3.779   0.815
  950    HG2  GLU 125           HG2      GLU 125  11.545  -3.968  -1.252
  951    HG3  GLU 125           HG1      GLU 125  10.120  -4.697  -1.999
  952    H    LEU 126           HN       LEU 126  10.786  -7.450  -1.105
  953    HA   LEU 126           HA       LEU 126  12.749  -8.386   0.720
  954    HB2  LEU 126           HB2      LEU 126  12.044  -9.131  -2.093
  955    HB3  LEU 126           HB1      LEU 126  13.407  -9.915  -1.393
  956    HG   LEU 126           HG       LEU 126  11.904 -11.488  -0.886
  957   HD11  LEU 126          HD11      LEU 126  10.870 -11.385   1.203
  958   HD12  LEU 126          HD12      LEU 126  11.088  -9.637   1.257
  959   HD13  LEU 126          HD13      LEU 126  12.513 -10.710   1.289
  960   HD21  LEU 126          HD21      LEU 126   9.709  -9.464  -0.811
  961   HD22  LEU 126          HD22      LEU 126   9.542 -11.231  -0.743
  962   HD23  LEU 126          HD23      LEU 126  10.181 -10.448  -2.194
  963    H    TYR 127           HN       TYR 127  12.683  -6.198  -1.921
  964    HA   TYR 127           HA       TYR 127  15.535  -5.936  -1.633
  965    HB2  TYR 127           HB2      TYR 127  13.709  -4.967  -3.794
  966    HB3  TYR 127           HB1      TYR 127  15.293  -4.220  -3.573
  967    HD1  TYR 127           HD1      TYR 127  13.764  -7.570  -3.772
  968    HD2  TYR 127           HD2      TYR 127  17.097  -5.148  -4.686
  969    HE1  TYR 127           HE1      TYR 127  14.764  -9.453  -4.931
  970    HE2  TYR 127           HE2      TYR 127  18.158  -7.020  -5.863
  971    HH   TYR 127           HH       TYR 127  18.003  -9.529  -5.663
  972    H    HIS 128           HN       HIS 128  15.705  -5.212   0.228
  973    HA   HIS 128           HA       HIS 128  15.490  -2.329   0.528
  974    HB2  HIS 128           HB2      HIS 128  14.683  -2.498   2.836
  975    HB3  HIS 128           HB1      HIS 128  13.571  -3.449   1.862
  976    HD1  HIS 128           HD1      HIS 128  13.789  -6.110   2.140
  977    HD2  HIS 128           HD2      HIS 128  15.997  -3.852   4.836
  978    HE1  HIS 128           HE1      HIS 128  14.591  -7.723   3.885
  979    HE2  HIS 128           HE2      HIS 128  15.626  -6.261   5.644
  980    H    GLU 129           HN       GLU 129  17.443  -1.583   1.492
  981    HA   GLU 129           HA       GLU 129  19.665  -1.679   1.954
  982    HB2  GLU 129           HB2      GLU 129  18.762  -4.189   3.397
  983    HB3  GLU 129           HB1      GLU 129  20.399  -3.574   3.510
  984    HG2  GLU 129           HG2      GLU 129  17.902  -2.158   4.389
  985    HG3  GLU 129           HG1      GLU 129  19.105  -2.920   5.433
  986    H    THR 130           HN       THR 130  21.363  -3.984   2.118
  987    HA   THR 130           HA       THR 130  20.847  -5.547  -0.260
  988    HB   THR 130           HB       THR 130  23.550  -4.248   0.273
  989    HG1  THR 130           HG1      THR 130  21.309  -3.278  -1.095
  990   HG21  THR 130          HG21      THR 130  23.510  -6.348  -1.024
  991   HG22  THR 130          HG22      THR 130  24.049  -4.980  -1.994
  992   HG23  THR 130          HG23      THR 130  22.406  -5.599  -2.178
  993    H    LEU 131           HN       LEU 131  21.533  -7.686   0.201
  994    HA   LEU 131           HA       LEU 131  22.269  -8.269   2.839
  995    HB2  LEU 131           HB2      LEU 131  22.710 -10.599   2.141
  996    HB3  LEU 131           HB1      LEU 131  21.168 -10.025   1.572
  997    HG   LEU 131           HG       LEU 131  23.614 -10.212  -0.213
  998   HD11  LEU 131          HD11      LEU 131  21.398 -12.217   0.207
  999   HD12  LEU 131          HD12      LEU 131  23.086 -12.422   0.677
 1000   HD13  LEU 131          HD13      LEU 131  22.652 -12.310  -1.029
 1001   HD21  LEU 131          HD21      LEU 131  20.652 -10.013  -0.799
 1002   HD22  LEU 131          HD22      LEU 131  21.914 -10.265  -1.996
 1003   HD23  LEU 131          HD23      LEU 131  21.862  -8.758  -1.089
 1004    H    SER 132           HN       SER 132  23.935  -7.557   3.713
 1005    HA   SER 132           HA       SER 132  26.384  -7.163   2.191
 1006    HB2  SER 132           HB2      SER 132  25.522  -6.091   4.870
 1007    HB3  SER 132           HB1      SER 132  26.924  -5.591   3.920
 1008    HG   SER 132           HG       SER 132  24.245  -5.430   2.996
 1009    H    ASN 133           HN       ASN 133  28.397  -7.643   3.249
 1010    HA   ASN 133           HA       ASN 133  28.194  -9.743   5.291
 1011    HB2  ASN 133           HB2      ASN 133  30.190  -9.534   3.028
 1012    HB3  ASN 133           HB1      ASN 133  30.372 -10.620   4.398
 1013   HD21  ASN 133          HD21      ASN 133  28.671 -10.011   1.439
 1014   HD22  ASN 133          HD22      ASN 133  27.892 -11.552   1.352
 1015    H    TYR 134           HN       TYR 134  30.906  -7.833   4.080
 1016    HA   TYR 134           HA       TYR 134  31.127  -6.615   6.707
 1017    HB2  TYR 134           HB2      TYR 134  33.168  -8.363   5.389
 1018    HB3  TYR 134           HB1      TYR 134  33.606  -7.230   6.678
 1019    HD1  TYR 134           HD2      TYR 134  32.505  -7.670   8.971
 1020    HD2  TYR 134           HD1      TYR 134  32.450 -10.501   5.799
 1021    HE1  TYR 134           HE2      TYR 134  32.018  -9.460  10.581
 1022    HE2  TYR 134           HE1      TYR 134  31.963 -12.299   7.397
 1023    HH   TYR 134           HH       TYR 134  32.280 -12.750   9.782
 1024    H    VAL 135           HN       VAL 135  32.147  -4.619   6.556
 1025    HA   VAL 135           HA       VAL 135  32.724  -3.731   3.842
 1026    HB   VAL 135           HB       VAL 135  32.732  -2.063   6.381
 1027   HG11  VAL 135          HG11      VAL 135  32.680  -0.152   4.864
 1028   HG12  VAL 135          HG12      VAL 135  32.731  -1.241   3.477
 1029   HG13  VAL 135          HG13      VAL 135  34.107  -1.148   4.579
 1030   HG21  VAL 135          HG21      VAL 135  30.500  -2.922   5.923
 1031   HG22  VAL 135          HG22      VAL 135  30.599  -2.330   4.266
 1032   HG23  VAL 135          HG23      VAL 135  30.571  -1.188   5.611
 1033    H    GLY 136           HN       GLY 136  34.269  -3.388   7.037
 1034    HA2  GLY 136           HA2      GLY 136  36.409  -3.987   7.633
 1035    HA3  GLY 136           HA1      GLY 136  36.757  -4.357   5.952
 1036    H    TYR 137           HN       TYR 137  36.258  -2.033   4.705
 1037    HA   TYR 137           HA       TYR 137  37.246  -0.115   4.044
 1038    HB2  TYR 137           HB2      TYR 137  37.673   0.372   7.023
 1039    HB3  TYR 137           HB1      TYR 137  38.050   1.556   5.780
 1040    HD1  TYR 137           HD1      TYR 137  36.248   2.630   4.516
 1041    HD2  TYR 137           HD2      TYR 137  35.413  -0.041   7.711
 1042    HE1  TYR 137           HE1      TYR 137  33.945   3.463   4.595
 1043    HE2  TYR 137           HE2      TYR 137  33.096   0.785   7.801
 1044    HH   TYR 137           HH       TYR 137  31.797   2.628   7.148
 1045    H    GLY 138           HN       GLY 138  39.420  -0.567   6.775
 1046    HA2  GLY 138           HA2      GLY 138  41.375  -1.831   5.051
 1047    HA3  GLY 138           HA1      GLY 138  41.811  -0.267   5.729
 1048    H    HIS 139           HN       HIS 139  39.697  -2.189   7.605
 1049    HA   HIS 139           HA       HIS 139  41.913  -2.992   9.274
 1050    HB2  HIS 139           HB2      HIS 139  40.506  -2.564  11.312
 1051    HB3  HIS 139           HB1      HIS 139  40.933  -1.105  10.441
 1052    HD1  HIS 139           HD1      HIS 139  39.028   0.407   9.782
 1053    HD2  HIS 139           HD2      HIS 139  37.702  -3.311  11.067
 1054    HE1  HIS 139           HE1      HIS 139  36.542   0.611  10.005
 1055    HE2  HIS 139           HE2      HIS 139  35.754  -1.661  10.683
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1  17.976 -12.525 -10.545
    2    H2   SER   1           HT2      SER   1  17.123 -12.677 -11.988
    3    H3   SER   1           HT3      SER   1  18.430 -13.712 -11.664
    4    HA   SER   1           HA       SER   1  16.406 -14.863 -11.427
    5    HB2  SER   1           HB2      SER   1  17.693 -14.287  -8.745
    6    HB3  SER   1           HB1      SER   1  16.832 -15.753  -9.208
    7    HG   SER   1           HG       SER   1  18.709 -16.440  -9.808
    8    H    ALA   2           HN       ALA   2  16.661 -12.161  -9.071
    9    HA   ALA   2           HA       ALA   2  15.229 -10.724  -8.251
   10    HB1  ALA   2           HB1      ALA   2  14.273 -10.506 -10.517
   11    HB2  ALA   2           HB2      ALA   2  13.064 -10.283  -9.248
   12    HB3  ALA   2           HB3      ALA   2  13.137 -11.803 -10.138
   13    H    LYS   3           HN       LYS   3  14.075 -10.570  -6.494
   14    HA   LYS   3           HA       LYS   3  12.811 -11.047  -4.711
   15    HB2  LYS   3           HB2      LYS   3  11.029 -11.571  -5.932
   16    HB3  LYS   3           HB1      LYS   3  11.673 -13.081  -6.606
   17    HG2  LYS   3           HG2      LYS   3  11.369 -13.950  -4.200
   18    HG3  LYS   3           HG1      LYS   3  10.452 -12.466  -3.915
   19    HD2  LYS   3           HD2      LYS   3   8.845 -14.117  -4.486
   20    HD3  LYS   3           HD1      LYS   3   9.039 -13.103  -5.917
   21    HE2  LYS   3           HE2      LYS   3  10.677 -14.813  -6.785
   22    HE3  LYS   3           HE1      LYS   3  10.223 -15.829  -5.427
   23    HZ1  LYS   3           HZ1      LYS   3   7.945 -15.838  -6.228
   24    HZ2  LYS   3           HZ2      LYS   3   8.978 -16.394  -7.436
   25    HZ3  LYS   3           HZ3      LYS   3   8.374 -14.826  -7.494
   26    H    LEU   4           HN       LEU   4  13.023 -11.966  -2.825
   27    HA   LEU   4           HA       LEU   4  14.996 -14.120  -2.529
   28    HB2  LEU   4           HB2      LEU   4  14.429 -11.795  -0.651
   29    HB3  LEU   4           HB1      LEU   4  15.640 -13.020  -0.424
   30    HG   LEU   4           HG       LEU   4  16.761 -12.082  -2.546
   31   HD11  LEU   4          HD11      LEU   4  16.333  -9.775  -3.101
   32   HD12  LEU   4          HD12      LEU   4  15.035  -9.696  -1.919
   33   HD13  LEU   4          HD13      LEU   4  14.857 -10.712  -3.337
   34   HD21  LEU   4          HD21      LEU   4  17.674 -11.809  -0.319
   35   HD22  LEU   4          HD22      LEU   4  16.611 -10.428  -0.036
   36   HD23  LEU   4          HD23      LEU   4  17.875 -10.331  -1.263
   37    H    GLU   5           HN       GLU   5  14.477 -14.331   0.366
   38    HA   GLU   5           HA       GLU   5  11.893 -15.681   0.184
   39    HB2  GLU   5           HB2      GLU   5  13.927 -15.806   2.400
   40    HB3  GLU   5           HB1      GLU   5  12.476 -16.786   2.261
   41    HG2  GLU   5           HG2      GLU   5  13.449 -17.646   0.097
   42    HG3  GLU   5           HG1      GLU   5  14.958 -16.883   0.596
   43    H    CYS   6           HN       CYS   6  10.225 -15.316   1.584
   44    HA   CYS   6           HA       CYS   6  10.330 -12.794   3.085
   45    HB2  CYS   6           HB2      CYS   6   8.018 -14.227   1.753
   46    HB3  CYS   6           HB1      CYS   6   7.892 -12.747   2.696
   47    HA   PRO   7           HA       PRO   7   9.220 -15.124   6.788
   48    HB2  PRO   7           HB2      PRO   7   6.886 -13.340   7.223
   49    HB3  PRO   7           HB1      PRO   7   8.261 -13.649   8.296
   50    HG2  PRO   7           HG2      PRO   7   8.023 -11.339   7.037
   51    HG3  PRO   7           HG1      PRO   7   9.605 -12.098   7.296
   52    HD2  PRO   7           HD2      PRO   7   7.980 -11.931   4.823
   53    HD3  PRO   7           HD1      PRO   7   9.741 -11.834   5.056
   54    H    GLN   8           HN       GLN   8   7.594 -16.508   7.595
   55    HA   GLN   8           HA       GLN   8   6.476 -18.214   5.832
   56    HB2  GLN   8           HB2      GLN   8   5.082 -19.080   7.706
   57    HB3  GLN   8           HB1      GLN   8   6.802 -18.914   8.045
   58    HG2  GLN   8           HG2      GLN   8   6.423 -16.950   9.360
   59    HG3  GLN   8           HG1      GLN   8   4.739 -16.875   8.849
   60   HE21  GLN   8          HE21      GLN   8   3.258 -18.186   9.780
   61   HE22  GLN   8          HE22      GLN   8   3.579 -19.129  11.187
   62    H    ASP   9           HN       ASP   9   4.618 -15.548   7.308
   63    HA   ASP   9           HA       ASP   9   2.188 -16.566   6.028
   64    HB2  ASP   9           HB2      ASP   9   2.387 -14.065   7.708
   65    HB3  ASP   9           HB1      ASP   9   0.955 -15.003   7.341
   66    H    TRP  10           HN       TRP  10   4.667 -14.831   4.958
   67    HA   TRP  10           HA       TRP  10   3.072 -12.690   3.769
   68    HB2  TRP  10           HB2      TRP  10   6.061 -12.925   4.122
   69    HB3  TRP  10           HB1      TRP  10   5.233 -11.617   3.275
   70    HD1  TRP  10           HD1      TRP  10   4.816 -13.210   6.802
   71    HE1  TRP  10           HE1      TRP  10   4.596 -11.338   8.496
   72    HE3  TRP  10           HE3      TRP  10   5.220  -9.250   3.621
   73    HZ2  TRP  10           HZ2      TRP  10   4.594  -8.487   8.494
   74    HZ3  TRP  10           HZ3      TRP  10   5.107  -6.985   4.552
   75    HH2  TRP  10           HH2      TRP  10   4.803  -6.620   6.942
   76    H    LEU  11           HN       LEU  11   2.647 -12.561   1.843
   77    HA   LEU  11           HA       LEU  11   3.144 -14.766   0.093
   78    HB2  LEU  11           HB2      LEU  11   1.047 -13.367   0.723
   79    HB3  LEU  11           HB1      LEU  11   1.744 -12.236  -0.419
   80    HG   LEU  11           HG       LEU  11   1.505 -13.846  -2.207
   81   HD11  LEU  11          HD11      LEU  11   1.838 -15.901  -0.928
   82   HD12  LEU  11          HD12      LEU  11   0.257 -15.968  -1.717
   83   HD13  LEU  11          HD13      LEU  11   0.389 -15.570   0.004
   84   HD21  LEU  11          HD21      LEU  11  -0.903 -13.785  -2.294
   85   HD22  LEU  11          HD22      LEU  11  -0.301 -12.291  -1.541
   86   HD23  LEU  11          HD23      LEU  11  -0.983 -13.563  -0.547
   87    H    SER  12           HN       SER  12   4.775 -14.616  -1.326
   88    HA   SER  12           HA       SER  12   6.217 -12.097  -1.547
   89    HB2  SER  12           HB2      SER  12   7.388 -14.174  -0.859
   90    HB3  SER  12           HB1      SER  12   7.060 -14.858  -2.452
   91    HG   SER  12           HG       SER  12   8.650 -12.674  -1.706
   92    H    HIS  13           HN       HIS  13   6.300 -10.910  -3.348
   93    HA   HIS  13           HA       HIS  13   5.693 -11.993  -5.964
   94    HB2  HIS  13           HB2      HIS  13   3.442 -11.482  -5.118
   95    HB3  HIS  13           HB1      HIS  13   3.970  -9.867  -4.682
   96    HD1  HIS  13           HD1      HIS  13   3.593  -8.035  -6.452
   97    HD2  HIS  13           HD2      HIS  13   3.330 -11.890  -8.047
   98    HE1  HIS  13           HE1      HIS  13   2.783  -7.707  -8.656
   99    HE2  HIS  13           HE2      HIS  13   2.620 -10.046  -9.726
  100    H    ARG  14           HN       ARG  14   6.928 -11.027  -7.396
  101    HA   ARG  14           HA       ARG  14   8.290  -9.671  -8.492
  102    HB2  ARG  14           HB2      ARG  14   7.074  -7.453  -6.838
  103    HB3  ARG  14           HB1      ARG  14   8.190  -7.195  -8.157
  104    HG2  ARG  14           HG2      ARG  14   5.445  -8.395  -8.344
  105    HG3  ARG  14           HG1      ARG  14   5.919  -6.764  -8.806
  106    HD2  ARG  14           HD2      ARG  14   7.488  -7.780 -10.463
  107    HD3  ARG  14           HD1      ARG  14   6.789  -9.352 -10.060
  108    HE   ARG  14           HE       ARG  14   5.111  -7.157 -10.999
  109   HH11  ARG  14          HH11      ARG  14   6.305 -10.478 -11.431
  110   HH12  ARG  14          HH12      ARG  14   5.269 -10.802 -12.749
  111   HH21  ARG  14          HH21      ARG  14   3.764  -7.629 -12.851
  112   HH22  ARG  14          HH22      ARG  14   3.831  -9.172 -13.560
  113    H    ASP  15           HN       ASP  15   8.347  -7.895  -5.517
  114    HA   ASP  15           HA       ASP  15  11.033  -8.651  -4.776
  115    HB2  ASP  15           HB2      ASP  15  11.887  -6.353  -4.950
  116    HB3  ASP  15           HB1      ASP  15  11.500  -6.970  -6.567
  117    H    LYS  16           HN       LYS  16   8.218  -8.607  -3.787
  118    HA   LYS  16           HA       LYS  16   8.703  -7.210  -1.318
  119    HB2  LYS  16           HB2      LYS  16   6.185  -6.778  -2.950
  120    HB3  LYS  16           HB1      LYS  16   6.299  -6.444  -1.239
  121    HG2  LYS  16           HG2      LYS  16   6.616  -4.331  -2.133
  122    HG3  LYS  16           HG1      LYS  16   8.272  -4.905  -1.956
  123    HD2  LYS  16           HD2      LYS  16   8.018  -3.818  -4.072
  124    HD3  LYS  16           HD1      LYS  16   8.309  -5.537  -4.299
  125    HE2  LYS  16           HE2      LYS  16   5.951  -5.899  -4.764
  126    HE3  LYS  16           HE1      LYS  16   5.614  -4.192  -4.456
  127    HZ1  LYS  16           HZ1      LYS  16   5.831  -4.777  -6.843
  128    HZ2  LYS  16           HZ2      LYS  16   7.500  -5.107  -6.561
  129    HZ3  LYS  16           HZ3      LYS  16   6.903  -3.580  -6.339
  130    H    CYS  17           HN       CYS  17   7.212  -7.853   0.297
  131    HA   CYS  17           HA       CYS  17   6.036 -10.541  -0.071
  132    HB2  CYS  17           HB2      CYS  17   7.114  -9.399   2.505
  133    HB3  CYS  17           HB1      CYS  17   6.733 -11.074   2.127
  134    H    PHE  18           HN       PHE  18   3.874 -10.567   0.493
  135    HA   PHE  18           HA       PHE  18   2.765  -8.079   1.605
  136    HB2  PHE  18           HB2      PHE  18   1.514 -10.181  -0.139
  137    HB3  PHE  18           HB1      PHE  18   0.651  -8.768   0.399
  138    HD1  PHE  18           HD1      PHE  18   2.898  -6.753  -0.017
  139    HD2  PHE  18           HD2      PHE  18   1.458  -9.937  -2.437
  140    HE1  PHE  18           HE1      PHE  18   3.720  -5.598  -2.015
  141    HE2  PHE  18           HE2      PHE  18   2.278  -8.774  -4.444
  142    HZ   PHE  18           HZ       PHE  18   3.424  -6.607  -4.226
  143    H    HIS  19           HN       HIS  19   1.634  -8.128   3.388
  144    HA   HIS  19           HA       HIS  19   0.648 -10.702   4.422
  145    HB2  HIS  19           HB2      HIS  19   2.460  -9.559   5.956
  146    HB3  HIS  19           HB1      HIS  19   1.266  -8.290   6.146
  147    HD1  HIS  19           HD1      HIS  19  -0.582  -8.665   7.918
  148    HD2  HIS  19           HD2      HIS  19   1.728 -12.053   7.127
  149    HE1  HIS  19           HE1      HIS  19  -1.171 -10.313   9.678
  150    HE2  HIS  19           HE2      HIS  19   0.071 -12.410   9.069
  151    H    VAL  20           HN       VAL  20  -1.420 -10.595   3.698
  152    HA   VAL  20           HA       VAL  20  -2.927  -8.131   3.876
  153    HB   VAL  20           HB       VAL  20  -3.875 -10.945   3.195
  154   HG11  VAL  20          HG11      VAL  20  -5.893  -9.850   2.327
  155   HG12  VAL  20          HG12      VAL  20  -5.283  -8.289   2.868
  156   HG13  VAL  20          HG13      VAL  20  -5.690  -9.532   4.050
  157   HG21  VAL  20          HG21      VAL  20  -3.908 -10.164   0.875
  158   HG22  VAL  20          HG22      VAL  20  -2.278 -10.056   1.551
  159   HG23  VAL  20          HG23      VAL  20  -3.273  -8.604   1.393
  160    H    SER  21           HN       SER  21  -3.076  -7.568   5.948
  161    HA   SER  21           HA       SER  21  -3.620  -9.450   8.004
  162    HB2  SER  21           HB2      SER  21  -3.695  -6.434   8.087
  163    HB3  SER  21           HB1      SER  21  -3.446  -7.539   9.437
  164    HG   SER  21           HG       SER  21  -1.589  -6.418   8.270
  165    H    GLN  22           HN       GLN  22  -5.625 -10.290   8.028
  166    HA   GLN  22           HA       GLN  22  -7.944  -8.808   7.148
  167    HB2  GLN  22           HB2      GLN  22  -7.499 -11.665   7.962
  168    HB3  GLN  22           HB1      GLN  22  -9.128 -11.025   7.798
  169    HG2  GLN  22           HG2      GLN  22  -7.151 -10.694   5.578
  170    HG3  GLN  22           HG1      GLN  22  -8.017 -12.213   5.781
  171   HE21  GLN  22          HE21      GLN  22  -9.675  -9.302   6.681
  172   HE22  GLN  22          HE22      GLN  22 -10.748  -9.262   5.331
  173    H    VAL  23           HN       VAL  23  -6.474  -8.225   9.600
  174    HA   VAL  23           HA       VAL  23  -8.703  -8.267  11.509
  175    HB   VAL  23           HB       VAL  23  -6.926  -7.663  13.269
  176   HG11  VAL  23          HG11      VAL  23  -6.155  -9.973  13.527
  177   HG12  VAL  23          HG12      VAL  23  -6.680 -10.322  11.871
  178   HG13  VAL  23          HG13      VAL  23  -7.865  -9.879  13.102
  179   HG21  VAL  23          HG21      VAL  23  -5.165  -6.939  11.719
  180   HG22  VAL  23          HG22      VAL  23  -5.053  -8.578  11.082
  181   HG23  VAL  23          HG23      VAL  23  -4.602  -8.250  12.755
  182    H    SER  24           HN       SER  24  -8.864  -6.151  12.795
  183    HA   SER  24           HA       SER  24  -8.409  -4.109  10.744
  184    HB2  SER  24           HB2      SER  24 -10.706  -4.221  12.676
  185    HB3  SER  24           HB1      SER  24 -10.502  -3.058  11.391
  186    HG   SER  24           HG       SER  24 -10.549  -5.846  10.948
  187    H    ASN  25           HN       ASN  25  -8.009  -2.027  11.235
  188    HA   ASN  25           HA       ASN  25  -7.361  -1.022  13.855
  189    HB2  ASN  25           HB2      ASN  25  -5.353  -1.816  11.824
  190    HB3  ASN  25           HB1      ASN  25  -5.062  -0.301  12.683
  191   HD21  ASN  25          HD21      ASN  25  -3.275  -2.321  12.777
  192   HD22  ASN  25          HD22      ASN  25  -3.229  -3.022  14.334
  193    H    THR  26           HN       THR  26  -6.238   1.284  13.280
  194    HA   THR  26           HA       THR  26  -7.836   2.563  11.243
  195    HB   THR  26           HB       THR  26  -6.635   4.604  11.953
  196    HG1  THR  26           HG1      THR  26  -5.222   3.869  14.065
  197   HG21  THR  26          HG21      THR  26  -7.374   4.727  14.299
  198   HG22  THR  26          HG22      THR  26  -7.556   2.971  14.342
  199   HG23  THR  26          HG23      THR  26  -8.589   3.947  13.296
  200    H    TRP  27           HN       TRP  27  -6.375   4.127   9.812
  201    HA   TRP  27           HA       TRP  27  -4.728   2.527   8.189
  202    HB2  TRP  27           HB2      TRP  27  -5.873   4.519   7.308
  203    HB3  TRP  27           HB1      TRP  27  -4.918   5.547   8.369
  204    HD1  TRP  27           HD1      TRP  27  -4.665   3.555   5.123
  205    HE1  TRP  27           HE1      TRP  27  -2.530   4.225   3.896
  206    HE3  TRP  27           HE3      TRP  27  -2.617   6.470   8.719
  207    HZ2  TRP  27           HZ2      TRP  27  -0.221   5.846   4.407
  208    HZ3  TRP  27           HZ3      TRP  27  -0.496   7.537   8.353
  209    HH2  TRP  27           HH2      TRP  27   0.726   7.249   6.201
  210    H    GLU  28           HN       GLU  28  -3.985   4.965  10.639
  211    HA   GLU  28           HA       GLU  28  -1.192   4.852  10.280
  212    HB2  GLU  28           HB2      GLU  28  -2.827   5.884  12.573
  213    HB3  GLU  28           HB1      GLU  28  -1.086   6.122  12.408
  214    HG2  GLU  28           HG2      GLU  28  -1.519   7.343  10.322
  215    HG3  GLU  28           HG1      GLU  28  -3.253   7.115  10.584
  216    H    GLU  29           HN       GLU  29  -3.371   3.199  12.510
  217    HA   GLU  29           HA       GLU  29  -1.303   1.985  13.972
  218    HB2  GLU  29           HB2      GLU  29  -4.198   1.499  13.699
  219    HB3  GLU  29           HB1      GLU  29  -3.227   0.152  14.277
  220    HG2  GLU  29           HG2      GLU  29  -4.186   1.455  16.083
  221    HG3  GLU  29           HG1      GLU  29  -2.433   1.457  16.127
  222    H    GLY  30           HN       GLY  30  -3.096   0.836  11.118
  223    HA2  GLY  30           HA2      GLY  30  -1.727  -1.630  10.938
  224    HA3  GLY  30           HA1      GLY  30  -2.519  -0.842   9.608
  225    H    LEU  31           HN       LEU  31  -0.986   1.559   9.733
  226    HA   LEU  31           HA       LEU  31   1.217   1.089   8.141
  227    HB2  LEU  31           HB2      LEU  31   0.059   3.260   8.428
  228    HB3  LEU  31           HB1      LEU  31   0.633   3.363  10.063
  229    HG   LEU  31           HG       LEU  31   1.713   4.926   8.450
  230   HD11  LEU  31          HD11      LEU  31   4.005   4.622   9.179
  231   HD12  LEU  31          HD12      LEU  31   3.607   3.008   9.768
  232   HD13  LEU  31          HD13      LEU  31   2.860   4.425  10.503
  233   HD21  LEU  31          HD21      LEU  31   1.809   3.543   6.505
  234   HD22  LEU  31          HD22      LEU  31   2.881   2.412   7.324
  235   HD23  LEU  31          HD23      LEU  31   3.444   4.041   6.957
  236    H    VAL  32           HN       VAL  32   1.092   1.729  11.623
  237    HA   VAL  32           HA       VAL  32   3.859   1.356  12.118
  238    HB   VAL  32           HB       VAL  32   1.514   1.295  14.042
  239   HG11  VAL  32          HG11      VAL  32   3.484   0.233  15.030
  240   HG12  VAL  32          HG12      VAL  32   3.151   1.788  15.791
  241   HG13  VAL  32          HG13      VAL  32   4.458   1.643  14.614
  242   HG21  VAL  32          HG21      VAL  32   3.394   3.517  13.279
  243   HG22  VAL  32          HG22      VAL  32   2.134   3.609  14.512
  244   HG23  VAL  32          HG23      VAL  32   1.698   3.380  12.820
  245    H    ASP  33           HN       ASP  33   1.101  -0.789  12.167
  246    HA   ASP  33           HA       ASP  33   2.325  -2.970  13.420
  247    HB2  ASP  33           HB2      ASP  33  -0.067  -2.605  11.737
  248    HB3  ASP  33           HB1      ASP  33   0.547  -4.241  11.816
  249    H    CYS  34           HN       CYS  34   2.342  -1.960  10.074
  250    HA   CYS  34           HA       CYS  34   3.739  -4.230   9.102
  251    HB2  CYS  34           HB2      CYS  34   3.791  -1.430   7.983
  252    HB3  CYS  34           HB1      CYS  34   4.202  -2.852   7.107
  253    H    ASP  35           HN       ASP  35   4.744  -1.084  10.370
  254    HA   ASP  35           HA       ASP  35   7.509  -1.278   9.910
  255    HB2  ASP  35           HB2      ASP  35   6.068   0.094  12.197
  256    HB3  ASP  35           HB1      ASP  35   7.778   0.280  11.877
  257    H    GLY  36           HN       GLY  36   5.425  -2.613  12.291
  258    HA2  GLY  36           HA2      GLY  36   7.196  -3.423  14.282
  259    HA3  GLY  36           HA1      GLY  36   5.654  -4.182  13.929
  260    H    LYS  37           HN       LYS  37   6.492  -4.908  11.183
  261    HA   LYS  37           HA       LYS  37   8.109  -7.227  11.959
  262    HB2  LYS  37           HB2      LYS  37   6.453  -6.734   9.488
  263    HB3  LYS  37           HB1      LYS  37   7.579  -8.060   9.603
  264    HG2  LYS  37           HG2      LYS  37   5.547  -9.044  10.102
  265    HG3  LYS  37           HG1      LYS  37   6.226  -8.734  11.681
  266    HD2  LYS  37           HD2      LYS  37   4.893  -6.710  11.883
  267    HD3  LYS  37           HD1      LYS  37   4.215  -6.986  10.279
  268    HE2  LYS  37           HE2      LYS  37   2.653  -7.783  11.916
  269    HE3  LYS  37           HE1      LYS  37   3.353  -9.146  11.042
  270    HZ1  LYS  37           HZ1      LYS  37   4.856  -9.530  12.939
  271    HZ2  LYS  37           HZ2      LYS  37   3.267  -9.555  13.478
  272    HZ3  LYS  37           HZ3      LYS  37   4.216  -8.207  13.739
  273    H    GLY  38           HN       GLY  38   8.790  -4.268  10.966
  274    HA2  GLY  38           HA2      GLY  38  10.572  -3.364   9.813
  275    HA3  GLY  38           HA1      GLY  38  11.230  -5.001   9.653
  276    H    ALA  39           HN       ALA  39   8.288  -3.390   8.622
  277    HA   ALA  39           HA       ALA  39   8.892  -3.831   5.849
  278    HB1  ALA  39           HB1      ALA  39   6.666  -4.861   5.493
  279    HB2  ALA  39           HB2      ALA  39   6.452  -4.955   7.233
  280    HB3  ALA  39           HB3      ALA  39   7.774  -5.874   6.422
  281    H    THR  40           HN       THR  40   6.774  -2.907   4.686
  282    HA   THR  40           HA       THR  40   6.220  -0.357   6.002
  283    HB   THR  40           HB       THR  40   6.165   0.459   3.553
  284    HG1  THR  40           HG1      THR  40   6.495  -2.040   3.061
  285   HG21  THR  40          HG21      THR  40   8.613   0.804   3.544
  286   HG22  THR  40          HG22      THR  40   8.771  -0.433   4.803
  287   HG23  THR  40          HG23      THR  40   7.925   1.066   5.150
  288    H    LEU  41           HN       LEU  41   4.115   0.582   5.336
  289    HA   LEU  41           HA       LEU  41   2.054  -1.357   4.883
  290    HB2  LEU  41           HB2      LEU  41   1.825   0.786   6.211
  291    HB3  LEU  41           HB1      LEU  41   1.891   1.668   4.704
  292    HG   LEU  41           HG       LEU  41  -0.236   0.577   4.014
  293   HD11  LEU  41          HD11      LEU  41  -0.250  -0.508   6.835
  294   HD12  LEU  41          HD12      LEU  41  -0.086  -1.463   5.362
  295   HD13  LEU  41          HD13      LEU  41  -1.577  -0.581   5.683
  296   HD21  LEU  41          HD21      LEU  41  -0.233   2.776   5.081
  297   HD22  LEU  41          HD22      LEU  41  -0.350   2.001   6.659
  298   HD23  LEU  41          HD23      LEU  41  -1.668   1.849   5.504
  299    H    MET  42           HN       MET  42   1.080  -1.888   2.976
  300    HA   MET  42           HA       MET  42   2.403  -2.358   0.752
  301    HB2  MET  42           HB2      MET  42   0.213  -3.255   1.136
  302    HB3  MET  42           HB1      MET  42  -0.516  -1.685   0.850
  303    HG2  MET  42           HG2      MET  42  -0.812  -3.204  -1.030
  304    HG3  MET  42           HG1      MET  42   0.133  -1.815  -1.529
  305    HE1  MET  42           HE1      MET  42   1.764  -4.427  -3.749
  306    HE2  MET  42           HE2      MET  42   1.184  -2.763  -3.599
  307    HE3  MET  42           HE3      MET  42   0.058  -4.103  -3.409
  308    H    LEU  43           HN       LEU  43   3.383  -1.469  -0.866
  309    HA   LEU  43           HA       LEU  43   2.691   1.235  -1.819
  310    HB2  LEU  43           HB2      LEU  43   5.362  -0.223  -1.933
  311    HB3  LEU  43           HB1      LEU  43   5.028   1.292  -2.723
  312    HG   LEU  43           HG       LEU  43   6.320   1.841  -0.874
  313   HD11  LEU  43          HD11      LEU  43   4.937   3.169   0.567
  314   HD12  LEU  43          HD12      LEU  43   3.507   2.333  -0.051
  315   HD13  LEU  43          HD13      LEU  43   4.515   3.293  -1.140
  316   HD21  LEU  43          HD21      LEU  43   5.899   1.162   1.425
  317   HD22  LEU  43          HD22      LEU  43   6.219  -0.222   0.378
  318   HD23  LEU  43          HD23      LEU  43   4.568   0.141   0.884
  319    H    ILE  44           HN       ILE  44   1.542   0.951  -3.616
  320    HA   ILE  44           HA       ILE  44   1.703  -1.499  -5.153
  321    HB   ILE  44           HB       ILE  44  -0.013   0.947  -5.619
  322   HG12  ILE  44          HG12      ILE  44  -0.785  -1.626  -4.237
  323   HG13  ILE  44          HG11      ILE  44  -0.259  -0.203  -3.357
  324   HG21  ILE  44          HG21      ILE  44  -0.300  -1.885  -6.624
  325   HG22  ILE  44          HG22      ILE  44   0.224  -0.500  -7.578
  326   HG23  ILE  44          HG23      ILE  44  -1.415  -0.547  -6.934
  327   HD11  ILE  44          HD11      ILE  44  -2.700  -0.460  -3.436
  328   HD12  ILE  44          HD12      ILE  44  -2.609  -0.344  -5.202
  329   HD13  ILE  44          HD13      ILE  44  -2.177   1.037  -4.208
  330    H    GLN  45           HN       GLN  45   3.082  -1.729  -6.724
  331    HA   GLN  45           HA       GLN  45   4.524   0.465  -7.881
  332    HB2  GLN  45           HB2      GLN  45   5.534  -1.752  -7.394
  333    HB3  GLN  45           HB1      GLN  45   4.508  -2.458  -8.634
  334    HG2  GLN  45           HG2      GLN  45   5.592  -0.955 -10.288
  335    HG3  GLN  45           HG1      GLN  45   6.709  -0.447  -9.025
  336   HE21  GLN  45          HE21      GLN  45   7.264  -1.765 -11.499
  337   HE22  GLN  45          HE22      GLN  45   8.071  -3.240 -11.139
  338    H    ASP  46           HN       ASP  46   2.076  -1.860  -9.039
  339    HA   ASP  46           HA       ASP  46   1.404  -0.124 -11.253
  340    HB2  ASP  46           HB2      ASP  46   3.409  -1.474 -12.010
  341    HB3  ASP  46           HB1      ASP  46   2.434  -2.919 -11.800
  342    H    GLN  47           HN       GLN  47  -0.268  -1.543 -12.688
  343    HA   GLN  47           HA       GLN  47  -2.459  -2.147 -10.974
  344    HB2  GLN  47           HB2      GLN  47  -2.245  -1.391 -13.564
  345    HB3  GLN  47           HB1      GLN  47  -2.372  -3.122 -13.783
  346    HG2  GLN  47           HG2      GLN  47  -4.417  -1.240 -12.619
  347    HG3  GLN  47           HG1      GLN  47  -4.547  -2.243 -14.050
  348   HE21  GLN  47          HE21      GLN  47  -4.809  -2.082 -10.652
  349   HE22  GLN  47          HE22      GLN  47  -5.505  -3.638 -10.399
  350    H    GLU  48           HN       GLU  48  -0.054  -3.944 -12.801
  351    HA   GLU  48           HA       GLU  48  -1.035  -6.543 -12.496
  352    HB2  GLU  48           HB2      GLU  48   1.794  -5.541 -12.767
  353    HB3  GLU  48           HB1      GLU  48   1.333  -7.233 -12.889
  354    HG2  GLU  48           HG2      GLU  48   0.280  -5.045 -14.650
  355    HG3  GLU  48           HG1      GLU  48   1.599  -6.138 -15.078
  356    H    GLU  49           HN       GLU  49   0.641  -4.497 -10.297
  357    HA   GLU  49           HA       GLU  49   1.443  -6.481  -8.419
  358    HB2  GLU  49           HB2      GLU  49   2.207  -4.023  -8.633
  359    HB3  GLU  49           HB1      GLU  49   0.747  -3.631  -7.719
  360    HG2  GLU  49           HG2      GLU  49   2.515  -3.700  -6.224
  361    HG3  GLU  49           HG1      GLU  49   1.639  -5.233  -6.058
  362    H    LEU  50           HN       LEU  50  -1.319  -4.240  -8.576
  363    HA   LEU  50           HA       LEU  50  -2.648  -5.369  -6.342
  364    HB2  LEU  50           HB2      LEU  50  -3.679  -3.547  -8.479
  365    HB3  LEU  50           HB1      LEU  50  -4.706  -4.244  -7.247
  366    HG   LEU  50           HG       LEU  50  -2.390  -2.398  -6.790
  367   HD11  LEU  50          HD11      LEU  50  -5.372  -2.091  -6.539
  368   HD12  LEU  50          HD12      LEU  50  -4.328  -1.283  -7.710
  369   HD13  LEU  50          HD13      LEU  50  -4.220  -0.883  -6.000
  370   HD21  LEU  50          HD21      LEU  50  -4.251  -3.785  -4.844
  371   HD22  LEU  50          HD22      LEU  50  -3.211  -2.438  -4.423
  372   HD23  LEU  50          HD23      LEU  50  -2.497  -3.959  -4.932
  373    H    ARG  51           HN       ARG  51  -2.583  -6.399  -9.659
  374    HA   ARG  51           HA       ARG  51  -4.980  -7.713  -9.693
  375    HB2  ARG  51           HB2      ARG  51  -3.848  -7.078 -11.628
  376    HB3  ARG  51           HB1      ARG  51  -2.347  -7.786 -11.074
  377    HG2  ARG  51           HG2      ARG  51  -3.073  -9.763 -11.263
  378    HG3  ARG  51           HG1      ARG  51  -4.770  -9.418 -11.703
  379    HD2  ARG  51           HD2      ARG  51  -3.774  -8.077 -13.640
  380    HD3  ARG  51           HD1      ARG  51  -2.241  -8.827 -13.197
  381    HE   ARG  51           HE       ARG  51  -4.196 -10.802 -13.664
  382   HH11  ARG  51          HH11      ARG  51  -2.121  -8.503 -15.481
  383   HH12  ARG  51          HH12      ARG  51  -2.226  -9.369 -16.927
  384   HH21  ARG  51          HH21      ARG  51  -4.305 -11.983 -15.673
  385   HH22  ARG  51          HH22      ARG  51  -3.466 -11.429 -17.044
  386    H    PHE  52           HN       PHE  52  -1.735  -8.482  -8.547
  387    HA   PHE  52           HA       PHE  52  -2.327 -11.203  -7.922
  388    HB2  PHE  52           HB2      PHE  52  -0.009 -10.405  -8.275
  389    HB3  PHE  52           HB1      PHE  52  -0.159  -9.372  -6.859
  390    HD1  PHE  52           HD1      PHE  52  -0.335 -12.918  -7.913
  391    HD2  PHE  52           HD2      PHE  52   0.483 -10.167  -4.778
  392    HE1  PHE  52           HE1      PHE  52   0.476 -14.766  -6.515
  393    HE2  PHE  52           HE2      PHE  52   1.300 -12.020  -3.360
  394    HZ   PHE  52           HZ       PHE  52   1.291 -14.318  -4.241
  395    H    LEU  53           HN       LEU  53  -2.665  -8.106  -6.297
  396    HA   LEU  53           HA       LEU  53  -3.168  -9.152  -3.717
  397    HB2  LEU  53           HB2      LEU  53  -3.847  -6.467  -4.973
  398    HB3  LEU  53           HB1      LEU  53  -4.544  -6.934  -3.473
  399    HG   LEU  53           HG       LEU  53  -2.683  -5.489  -3.050
  400   HD11  LEU  53          HD11      LEU  53  -1.969  -8.274  -2.226
  401   HD12  LEU  53          HD12      LEU  53  -3.166  -7.233  -1.463
  402   HD13  LEU  53          HD13      LEU  53  -1.459  -6.761  -1.462
  403   HD21  LEU  53          HD21      LEU  53  -1.293  -5.913  -5.014
  404   HD22  LEU  53          HD22      LEU  53  -0.918  -7.527  -4.409
  405   HD23  LEU  53          HD23      LEU  53  -0.387  -6.093  -3.519
  406    H    LEU  54           HN       LEU  54  -5.275  -8.133  -6.312
  407    HA   LEU  54           HA       LEU  54  -7.699  -8.655  -5.083
  408    HB2  LEU  54           HB2      LEU  54  -7.009  -8.877  -7.998
  409    HB3  LEU  54           HB1      LEU  54  -8.639  -8.753  -7.394
  410    HG   LEU  54           HG       LEU  54  -6.474  -6.685  -7.379
  411   HD11  LEU  54          HD11      LEU  54  -8.116  -5.337  -8.588
  412   HD12  LEU  54          HD12      LEU  54  -9.246  -6.692  -8.542
  413   HD13  LEU  54          HD13      LEU  54  -7.727  -6.841  -9.425
  414   HD21  LEU  54          HD21      LEU  54  -9.093  -6.568  -5.857
  415   HD22  LEU  54          HD22      LEU  54  -8.029  -5.189  -6.155
  416   HD23  LEU  54          HD23      LEU  54  -7.452  -6.550  -5.200
  417    H    ASP  55           HN       ASP  55  -5.657 -10.867  -6.900
  418    HA   ASP  55           HA       ASP  55  -7.484 -13.039  -6.753
  419    HB2  ASP  55           HB2      ASP  55  -4.567 -12.900  -7.391
  420    HB3  ASP  55           HB1      ASP  55  -5.374 -14.445  -7.268
  421    H    SER  56           HN       SER  56  -4.886 -11.981  -4.648
  422    HA   SER  56           HA       SER  56  -5.079 -14.397  -3.147
  423    HB2  SER  56           HB2      SER  56  -3.413 -13.219  -1.625
  424    HB3  SER  56           HB1      SER  56  -2.897 -13.523  -3.282
  425    HG   SER  56           HG       SER  56  -3.121 -11.415  -3.769
  426    H    ILE  57           HN       ILE  57  -6.178 -11.112  -2.887
  427    HA   ILE  57           HA       ILE  57  -7.212 -11.008  -0.310
  428    HB   ILE  57           HB       ILE  57  -8.257  -9.778  -2.871
  429   HG12  ILE  57          HG12      ILE  57  -6.107  -8.872  -2.272
  430   HG13  ILE  57          HG11      ILE  57  -7.336  -7.655  -1.959
  431   HG21  ILE  57          HG21      ILE  57  -9.216  -9.145  -0.105
  432   HG22  ILE  57          HG22      ILE  57 -10.113  -9.950  -1.393
  433   HG23  ILE  57          HG23      ILE  57  -9.638  -8.262  -1.578
  434   HD11  ILE  57          HD11      ILE  57  -7.221  -8.185   0.424
  435   HD12  ILE  57          HD12      ILE  57  -5.657  -7.690  -0.226
  436   HD13  ILE  57          HD13      ILE  57  -5.979  -9.390   0.087
  437    H    LYS  58           HN       LYS  58  -8.672 -12.185  -3.279
  438    HA   LYS  58           HA       LYS  58 -10.287 -13.650  -3.764
  439    HB2  LYS  58           HB2      LYS  58  -9.121 -15.233  -2.357
  440    HB3  LYS  58           HB1      LYS  58  -9.836 -14.551  -0.915
  441    HG2  LYS  58           HG2      LYS  58 -10.841 -16.690  -1.503
  442    HG3  LYS  58           HG1      LYS  58 -12.017 -15.378  -1.539
  443    HD2  LYS  58           HD2      LYS  58 -12.381 -16.804  -3.476
  444    HD3  LYS  58           HD1      LYS  58 -11.710 -15.280  -4.027
  445    HE2  LYS  58           HE2      LYS  58 -10.622 -17.067  -5.219
  446    HE3  LYS  58           HE1      LYS  58  -9.458 -16.359  -4.111
  447    HZ1  LYS  58           HZ1      LYS  58 -10.993 -18.852  -3.607
  448    HZ2  LYS  58           HZ2      LYS  58  -9.764 -18.255  -2.615
  449    HZ3  LYS  58           HZ3      LYS  58  -9.424 -18.790  -4.179
  450    H    GLU  59           HN       GLU  59 -11.095 -12.770  -0.472
  451    HA   GLU  59           HA       GLU  59 -13.851 -12.937  -0.793
  452    HB2  GLU  59           HB2      GLU  59 -12.158 -11.666   1.308
  453    HB3  GLU  59           HB1      GLU  59 -13.909 -11.765   1.437
  454    HG2  GLU  59           HG2      GLU  59 -12.044 -14.105   1.084
  455    HG3  GLU  59           HG1      GLU  59 -12.759 -13.639   2.614
  456    H    LYS  60           HN       LYS  60 -11.767 -10.053  -0.992
  457    HA   LYS  60           HA       LYS  60 -12.065  -8.130  -2.027
  458    HB2  LYS  60           HB2      LYS  60 -14.695  -9.224  -3.027
  459    HB3  LYS  60           HB1      LYS  60 -13.972  -7.734  -3.576
  460    HG2  LYS  60           HG2      LYS  60 -12.955 -10.530  -4.007
  461    HG3  LYS  60           HG1      LYS  60 -13.605  -9.422  -5.211
  462    HD2  LYS  60           HD2      LYS  60 -11.654  -7.886  -4.555
  463    HD3  LYS  60           HD1      LYS  60 -10.972  -9.319  -3.781
  464    HE2  LYS  60           HE2      LYS  60 -11.711  -9.002  -6.685
  465    HE3  LYS  60           HE1      LYS  60 -10.094  -9.110  -6.012
  466    HZ1  LYS  60           HZ1      LYS  60 -10.456 -11.417  -5.473
  467    HZ2  LYS  60           HZ2      LYS  60 -10.947 -11.177  -7.058
  468    HZ3  LYS  60           HZ3      LYS  60 -12.093 -11.308  -5.863
  469    H    TYR  61           HN       TYR  61 -15.107  -9.119  -0.530
  470    HA   TYR  61           HA       TYR  61 -16.230  -6.536  -0.169
  471    HB2  TYR  61           HB2      TYR  61 -16.920  -9.107   1.235
  472    HB3  TYR  61           HB1      TYR  61 -17.944  -7.680   1.111
  473    HD1  TYR  61           HD1      TYR  61 -18.258  -6.864  -1.378
  474    HD2  TYR  61           HD2      TYR  61 -17.315 -10.802  -0.200
  475    HE1  TYR  61           HE1      TYR  61 -19.201  -7.714  -3.514
  476    HE2  TYR  61           HE2      TYR  61 -18.225 -11.690  -2.303
  477    HH   TYR  61           HH       TYR  61 -18.943  -9.694  -4.936
  478    H    ASN  62           HN       ASN  62 -13.743  -6.622   0.949
  479    HA   ASN  62           HA       ASN  62 -14.249  -5.828   3.745
  480    HB2  ASN  62           HB2      ASN  62 -11.792  -7.227   2.640
  481    HB3  ASN  62           HB1      ASN  62 -11.865  -6.489   4.227
  482   HD21  ASN  62          HD21      ASN  62 -11.331  -9.286   3.408
  483   HD22  ASN  62          HD22      ASN  62 -12.486 -10.201   4.290
  484    H    SER  63           HN       SER  63 -11.950  -4.516   4.289
  485    HA   SER  63           HA       SER  63 -11.198  -2.920   2.018
  486    HB2  SER  63           HB2      SER  63 -12.273  -1.721   4.600
  487    HB3  SER  63           HB1      SER  63 -11.561  -0.806   3.272
  488    HG   SER  63           HG       SER  63 -14.081  -1.745   3.577
  489    H    PHE  64           HN       PHE  64  -9.054  -2.795   2.027
  490    HA   PHE  64           HA       PHE  64  -7.599  -3.240   4.575
  491    HB2  PHE  64           HB2      PHE  64  -6.444  -4.044   1.916
  492    HB3  PHE  64           HB1      PHE  64  -6.069  -4.642   3.521
  493    HD1  PHE  64           HD1      PHE  64  -7.547  -6.335   4.584
  494    HD2  PHE  64           HD2      PHE  64  -8.152  -4.972   0.618
  495    HE1  PHE  64           HE1      PHE  64  -9.043  -8.241   4.152
  496    HE2  PHE  64           HE2      PHE  64  -9.578  -6.799   0.133
  497    HZ   PHE  64           HZ       PHE  64 -10.075  -8.510   1.914
  498    H    TRP  65           HN       TRP  65  -6.486  -1.460   5.062
  499    HA   TRP  65           HA       TRP  65  -6.060   0.783   3.440
  500    HB2  TRP  65           HB2      TRP  65  -4.457  -0.086   5.844
  501    HB3  TRP  65           HB1      TRP  65  -4.475   1.519   5.153
  502    HD1  TRP  65           HD1      TRP  65  -5.902  -0.434   7.881
  503    HE1  TRP  65           HE1      TRP  65  -7.887   0.759   8.959
  504    HE3  TRP  65           HE3      TRP  65  -6.791   3.086   4.265
  505    HZ2  TRP  65           HZ2      TRP  65  -9.598   2.891   8.373
  506    HZ3  TRP  65           HZ3      TRP  65  -8.636   4.666   4.624
  507    HH2  TRP  65           HH2      TRP  65 -10.017   4.548   6.668
  508    H    ILE  66           HN       ILE  66  -4.419   1.368   2.110
  509    HA   ILE  66           HA       ILE  66  -1.993  -0.230   2.247
  510    HB   ILE  66           HB       ILE  66  -1.456   0.227  -0.125
  511   HG12  ILE  66          HG12      ILE  66  -2.987   2.303  -0.324
  512   HG13  ILE  66          HG11      ILE  66  -2.888   1.239  -1.716
  513   HG21  ILE  66          HG21      ILE  66  -2.469  -1.893   0.388
  514   HG22  ILE  66          HG22      ILE  66  -3.003  -1.338  -1.191
  515   HG23  ILE  66          HG23      ILE  66  -4.079  -1.202   0.198
  516   HD11  ILE  66          HD11      ILE  66  -5.040   0.254  -1.114
  517   HD12  ILE  66          HD12      ILE  66  -5.167   2.000  -1.319
  518   HD13  ILE  66          HD13      ILE  66  -5.123   1.303   0.301
  519    H    GLY  67           HN       GLY  67  -0.109   1.321   1.063
  520    HA2  GLY  67           HA2      GLY  67   0.077   3.349   3.091
  521    HA3  GLY  67           HA1      GLY  67   1.299   2.930   1.907
  522    H    LEU  68           HN       LEU  68  -1.996   4.130   1.620
  523    HA   LEU  68           HA       LEU  68  -0.994   6.318  -0.039
  524    HB2  LEU  68           HB2      LEU  68  -3.523   4.748  -0.170
  525    HB3  LEU  68           HB1      LEU  68  -3.414   6.342  -0.886
  526    HG   LEU  68           HG       LEU  68  -1.636   4.022  -1.617
  527   HD11  LEU  68          HD11      LEU  68  -2.985   3.901  -3.649
  528   HD12  LEU  68          HD12      LEU  68  -4.024   5.192  -3.052
  529   HD13  LEU  68          HD13      LEU  68  -3.994   3.634  -2.232
  530   HD21  LEU  68          HD21      LEU  68  -1.009   5.447  -3.483
  531   HD22  LEU  68          HD22      LEU  68  -0.635   6.246  -1.967
  532   HD23  LEU  68          HD23      LEU  68  -2.067   6.722  -2.889
  533    H    ARG  69           HN       ARG  69  -1.010   8.145   0.937
  534    HA   ARG  69           HA       ARG  69  -3.386   8.891   2.426
  535    HB2  ARG  69           HB2      ARG  69  -1.955  10.393   3.815
  536    HB3  ARG  69           HB1      ARG  69  -1.675   8.679   4.147
  537    HG2  ARG  69           HG2      ARG  69   0.361   8.873   2.715
  538    HG3  ARG  69           HG1      ARG  69   0.040  10.604   2.586
  539    HD2  ARG  69           HD2      ARG  69   0.532   9.065   5.138
  540    HD3  ARG  69           HD1      ARG  69   1.670  10.153   4.346
  541    HE   ARG  69           HE       ARG  69  -0.435  11.748   4.758
  542   HH11  ARG  69          HH11      ARG  69   1.318   9.599   6.977
  543   HH12  ARG  69          HH12      ARG  69   0.956  10.495   8.372
  544   HH21  ARG  69          HH21      ARG  69  -0.907  13.016   6.691
  545   HH22  ARG  69          HH22      ARG  69  -0.293  12.527   8.197
  546    H    TYR  70           HN       TYR  70  -3.987  11.027   2.139
  547    HA   TYR  70           HA       TYR  70  -3.057  11.993  -0.431
  548    HB2  TYR  70           HB2      TYR  70  -5.458  11.471  -0.040
  549    HB3  TYR  70           HB1      TYR  70  -5.494  12.723   1.188
  550    HD1  TYR  70           HD1      TYR  70  -4.204  12.506  -2.317
  551    HD2  TYR  70           HD2      TYR  70  -6.633  14.532   0.495
  552    HE1  TYR  70           HE1      TYR  70  -4.856  14.119  -4.046
  553    HE2  TYR  70           HE2      TYR  70  -7.284  16.142  -1.196
  554    HH   TYR  70           HH       TYR  70  -6.560  15.628  -4.509
  555    H    THR  71           HN       THR  71  -1.569  13.487  -0.347
  556    HA   THR  71           HA       THR  71  -1.282  15.104   2.043
  557    HB   THR  71           HB       THR  71   1.045  15.429   1.016
  558    HG1  THR  71           HG1      THR  71   0.290  14.624  -1.057
  559   HG21  THR  71          HG21      THR  71   1.815  13.211   1.828
  560   HG22  THR  71          HG22      THR  71   0.135  12.658   1.855
  561   HG23  THR  71          HG23      THR  71   0.656  13.948   2.934
  562    H    LEU  72           HN       LEU  72  -1.619  17.297   1.826
  563    HA   LEU  72           HA       LEU  72  -1.649  18.398  -0.884
  564    HB2  LEU  72           HB2      LEU  72  -3.464  19.094   1.433
  565    HB3  LEU  72           HB1      LEU  72  -3.397  20.002  -0.066
  566    HG   LEU  72           HG       LEU  72  -4.270  17.120   0.220
  567   HD11  LEU  72          HD11      LEU  72  -5.914  18.746   1.063
  568   HD12  LEU  72          HD12      LEU  72  -6.444  17.907  -0.399
  569   HD13  LEU  72          HD13      LEU  72  -5.859  19.566  -0.512
  570   HD21  LEU  72          HD21      LEU  72  -4.118  18.896  -2.209
  571   HD22  LEU  72          HD22      LEU  72  -4.902  17.322  -2.137
  572   HD23  LEU  72          HD23      LEU  72  -3.163  17.444  -1.896
  573    HA   PRO  73           HA       PRO  73  -1.967  20.359  -1.697
  574    HB2  PRO  73           HB2      PRO  73  -0.189  22.289  -2.823
  575    HB3  PRO  73           HB1      PRO  73  -1.793  22.589  -2.123
  576    HG2  PRO  73           HG2      PRO  73   0.578  23.515  -1.061
  577    HG3  PRO  73           HG1      PRO  73  -0.954  23.359  -0.183
  578    HD2  PRO  73           HD2      PRO  73   1.401  21.532  -0.181
  579    HD3  PRO  73           HD1      PRO  73   0.316  21.979   1.154
  580    H    ASP  74           HN       ASP  74  -1.657  19.361  -3.621
  581    HA   ASP  74           HA       ASP  74   0.599  18.866  -5.109
  582    HB2  ASP  74           HB2      ASP  74   1.396  17.591  -3.046
  583    HB3  ASP  74           HB1      ASP  74   0.029  16.509  -3.264
  584    H    MET  75           HN       MET  75  -2.264  17.625  -3.612
  585    HA   MET  75           HA       MET  75  -4.147  16.801  -4.236
  586    HB2  MET  75           HB2      MET  75  -3.465  18.245  -6.764
  587    HB3  MET  75           HB1      MET  75  -5.005  17.418  -6.550
  588    HG2  MET  75           HG2      MET  75  -5.238  19.764  -6.043
  589    HG3  MET  75           HG1      MET  75  -5.473  18.820  -4.571
  590    HE1  MET  75           HE1      MET  75  -5.138  21.916  -4.511
  591    HE2  MET  75           HE2      MET  75  -3.955  22.140  -3.223
  592    HE3  MET  75           HE3      MET  75  -5.230  20.931  -3.050
  593    H    ASN  76           HN       ASN  76  -1.629  15.329  -4.816
  594    HA   ASN  76           HA       ASN  76  -3.006  13.143  -6.125
  595    HB2  ASN  76           HB2      ASN  76  -0.100  13.951  -6.355
  596    HB3  ASN  76           HB1      ASN  76  -0.645  12.321  -6.717
  597   HD21  ASN  76          HD21      ASN  76  -3.150  13.175  -7.939
  598   HD22  ASN  76          HD22      ASN  76  -2.720  13.862  -9.456
  599    H    TRP  77           HN       TRP  77  -2.030  11.081  -5.381
  600    HA   TRP  77           HA       TRP  77  -1.960  11.215  -2.487
  601    HB2  TRP  77           HB2      TRP  77  -2.329   8.934  -4.424
  602    HB3  TRP  77           HB1      TRP  77  -2.318   8.764  -2.669
  603    HD1  TRP  77           HD1      TRP  77  -4.390  10.659  -5.385
  604    HE1  TRP  77           HE1      TRP  77  -6.823  10.792  -4.535
  605    HE3  TRP  77           HE3      TRP  77  -3.742   8.440  -0.892
  606    HZ2  TRP  77           HZ2      TRP  77  -8.260  10.057  -2.227
  607    HZ3  TRP  77           HZ3      TRP  77  -5.687   8.181   0.610
  608    HH2  TRP  77           HH2      TRP  77  -7.896   8.970  -0.051
  609    H    LYS  78           HN       LYS  78  -0.231  10.526  -1.317
  610    HA   LYS  78           HA       LYS  78   2.074   9.660  -2.882
  611    HB2  LYS  78           HB2      LYS  78   2.076  11.454  -0.452
  612    HB3  LYS  78           HB1      LYS  78   3.517  10.736  -1.151
  613    HG2  LYS  78           HG2      LYS  78   3.070  11.924  -3.242
  614    HG3  LYS  78           HG1      LYS  78   1.672  12.705  -2.492
  615    HD2  LYS  78           HD2      LYS  78   3.213  13.611  -0.744
  616    HD3  LYS  78           HD1      LYS  78   4.573  12.964  -1.657
  617    HE2  LYS  78           HE2      LYS  78   2.586  15.034  -2.600
  618    HE3  LYS  78           HE1      LYS  78   4.255  15.332  -2.127
  619    HZ1  LYS  78           HZ1      LYS  78   3.439  13.636  -4.429
  620    HZ2  LYS  78           HZ2      LYS  78   5.021  14.141  -4.050
  621    HZ3  LYS  78           HZ3      LYS  78   3.846  15.256  -4.527
  622    H    TRP  79           HN       TRP  79   3.474   8.276  -1.864
  623    HA   TRP  79           HA       TRP  79   2.054   6.541   0.013
  624    HB2  TRP  79           HB2      TRP  79   4.659   5.807  -1.347
  625    HB3  TRP  79           HB1      TRP  79   3.449   4.823  -0.582
  626    HD1  TRP  79           HD1      TRP  79   4.018   6.791  -3.792
  627    HE1  TRP  79           HE1      TRP  79   2.589   5.755  -5.621
  628    HE3  TRP  79           HE3      TRP  79   1.443   3.476  -0.932
  629    HZ2  TRP  79           HZ2      TRP  79   0.573   3.782  -5.819
  630    HZ3  TRP  79           HZ3      TRP  79  -0.236   2.058  -2.014
  631    HH2  TRP  79           HH2      TRP  79  -0.661   2.221  -4.400
  632    H    ILE  80           HN       ILE  80   3.541   5.445   1.565
  633    HA   ILE  80           HA       ILE  80   4.785   7.407   3.212
  634    HB   ILE  80           HB       ILE  80   5.289   5.551   4.738
  635   HG12  ILE  80          HG12      ILE  80   4.098   3.760   2.615
  636   HG13  ILE  80          HG11      ILE  80   5.829   3.952   2.871
  637   HG21  ILE  80          HG21      ILE  80   3.065   6.551   4.775
  638   HG22  ILE  80          HG22      ILE  80   2.952   4.817   5.098
  639   HG23  ILE  80          HG23      ILE  80   2.532   5.446   3.508
  640   HD11  ILE  80          HD11      ILE  80   5.601   2.992   5.106
  641   HD12  ILE  80          HD12      ILE  80   4.856   1.897   3.938
  642   HD13  ILE  80          HD13      ILE  80   3.858   2.938   4.930
  643    H    ASN  81           HN       ASN  81   5.962   5.576   0.628
  644    HA   ASN  81           HA       ASN  81   8.699   5.435   1.592
  645    HB2  ASN  81           HB2      ASN  81   9.227   4.327  -0.502
  646    HB3  ASN  81           HB1      ASN  81   7.744   3.626   0.126
  647   HD21  ASN  81          HD21      ASN  81   8.689   3.553  -2.586
  648   HD22  ASN  81          HD22      ASN  81   7.498   4.323  -3.541
  649    H    GLY  82           HN       GLY  82   6.730   7.681   0.307
  650    HA2  GLY  82           HA2      GLY  82   7.369   9.962  -0.002
  651    HA3  GLY  82           HA1      GLY  82   8.986   9.417  -0.408
  652    H    SER  83           HN       SER  83   6.727   7.559  -2.071
  653    HA   SER  83           HA       SER  83   7.340   9.026  -4.531
  654    HB2  SER  83           HB2      SER  83   7.580   6.409  -4.105
  655    HB3  SER  83           HB1      SER  83   5.830   6.486  -4.404
  656    HG   SER  83           HG       SER  83   6.715   6.108  -6.318
  657    H    THR  84           HN       THR  84   5.443   8.884  -6.193
  658    HA   THR  84           HA       THR  84   2.987   9.719  -4.849
  659    HB   THR  84           HB       THR  84   3.939  10.352  -7.668
  660    HG1  THR  84           HG1      THR  84   5.055  11.308  -5.851
  661   HG21  THR  84          HG21      THR  84   1.460  10.374  -7.465
  662   HG22  THR  84          HG22      THR  84   2.093  11.999  -7.702
  663   HG23  THR  84          HG23      THR  84   1.590  11.479  -6.099
  664    H    LEU  85           HN       LEU  85   1.114   8.877  -5.451
  665    HA   LEU  85           HA       LEU  85   0.702   6.225  -6.057
  666    HB2  LEU  85           HB2      LEU  85  -0.955   7.514  -4.995
  667    HB3  LEU  85           HB1      LEU  85  -1.085   8.610  -6.355
  668    HG   LEU  85           HG       LEU  85  -1.950   6.614  -7.683
  669   HD11  LEU  85          HD11      LEU  85  -1.177   4.911  -6.080
  670   HD12  LEU  85          HD12      LEU  85  -2.866   4.776  -6.536
  671   HD13  LEU  85          HD13      LEU  85  -2.432   5.479  -4.967
  672   HD21  LEU  85          HD21      LEU  85  -3.603   7.612  -5.374
  673   HD22  LEU  85          HD22      LEU  85  -4.210   6.885  -6.862
  674   HD23  LEU  85          HD23      LEU  85  -3.372   8.434  -6.919
  675    H    ASN  86           HN       ASN  86   0.274   5.055  -7.824
  676    HA   ASN  86           HA       ASN  86   0.398   6.260 -10.462
  677    HB2  ASN  86           HB2      ASN  86   1.599   4.081  -9.954
  678    HB3  ASN  86           HB1      ASN  86   0.037   3.353  -9.633
  679   HD21  ASN  86          HD21      ASN  86   2.107   2.710 -11.578
  680   HD22  ASN  86          HD22      ASN  86   1.353   2.712 -13.123
  681    H    SER  87           HN       SER  87  -1.533   7.408 -10.450
  682    HA   SER  87           HA       SER  87  -3.987   6.441  -9.436
  683    HB2  SER  87           HB2      SER  87  -3.485   8.689 -11.387
  684    HB3  SER  87           HB1      SER  87  -4.891   8.485 -10.345
  685    HG   SER  87           HG       SER  87  -3.721   9.780  -9.179
  686    H    ASP  88           HN       ASP  88  -2.325   5.752 -12.243
  687    HA   ASP  88           HA       ASP  88  -4.519   5.592 -14.082
  688    HB2  ASP  88           HB2      ASP  88  -1.676   4.600 -14.306
  689    HB3  ASP  88           HB1      ASP  88  -2.858   4.501 -15.599
  690    H    VAL  89           HN       VAL  89  -3.481   3.524 -11.573
  691    HA   VAL  89           HA       VAL  89  -3.937   1.127 -13.007
  692    HB   VAL  89           HB       VAL  89  -3.621  -0.099 -10.937
  693   HG11  VAL  89          HG11      VAL  89  -1.649   0.593 -12.119
  694   HG12  VAL  89          HG12      VAL  89  -1.348   0.641 -10.383
  695   HG13  VAL  89          HG13      VAL  89  -1.643   2.137 -11.270
  696   HG21  VAL  89          HG21      VAL  89  -3.540   2.585  -9.528
  697   HG22  VAL  89          HG22      VAL  89  -3.118   1.025  -8.806
  698   HG23  VAL  89          HG23      VAL  89  -4.766   1.324  -9.343
  699    H    LEU  90           HN       LEU  90  -5.937   2.870 -10.595
  700    HA   LEU  90           HA       LEU  90  -8.323   1.540 -11.505
  701    HB2  LEU  90           HB2      LEU  90  -7.299   1.139  -8.681
  702    HB3  LEU  90           HB1      LEU  90  -8.907   0.721  -9.219
  703    HG   LEU  90           HG       LEU  90  -6.376  -0.520 -10.254
  704   HD11  LEU  90          HD11      LEU  90  -7.040  -2.483  -8.893
  705   HD12  LEU  90          HD12      LEU  90  -8.420  -1.575  -8.272
  706   HD13  LEU  90          HD13      LEU  90  -6.779  -1.064  -7.880
  707   HD21  LEU  90          HD21      LEU  90  -7.883  -2.237 -11.178
  708   HD22  LEU  90          HD22      LEU  90  -8.206  -0.643 -11.852
  709   HD23  LEU  90          HD23      LEU  90  -9.273  -1.311 -10.610
  710    H    LYS  91           HN       LYS  91 -10.105   2.274  -9.726
  711    HA   LYS  91           HA       LYS  91 -10.197   5.056  -9.946
  712    HB2  LYS  91           HB2      LYS  91 -12.121   4.976  -8.420
  713    HB3  LYS  91           HB1      LYS  91 -12.313   4.019  -9.900
  714    HG2  LYS  91           HG2      LYS  91 -12.288   2.032  -8.677
  715    HG3  LYS  91           HG1      LYS  91 -11.383   2.753  -7.351
  716    HD2  LYS  91           HD2      LYS  91 -13.632   2.352  -6.562
  717    HD3  LYS  91           HD1      LYS  91 -13.403   4.074  -6.770
  718    HE2  LYS  91           HE2      LYS  91 -14.746   2.363  -8.855
  719    HE3  LYS  91           HE1      LYS  91 -15.612   3.096  -7.510
  720    HZ1  LYS  91           HZ1      LYS  91 -15.797   4.461  -9.463
  721    HZ2  LYS  91           HZ2      LYS  91 -14.140   4.561  -9.648
  722    HZ3  LYS  91           HZ3      LYS  91 -14.879   5.293  -8.339
  723    H    ILE  92           HN       ILE  92  -8.716   6.241  -8.960
  724    HA   ILE  92           HA       ILE  92  -9.180   6.582  -6.097
  725    HB   ILE  92           HB       ILE  92  -6.370   6.755  -7.228
  726   HG12  ILE  92          HG12      ILE  92  -7.775   4.477  -5.838
  727   HG13  ILE  92          HG11      ILE  92  -6.915   4.454  -7.348
  728   HG21  ILE  92          HG21      ILE  92  -6.872   8.140  -5.260
  729   HG22  ILE  92          HG22      ILE  92  -5.763   6.837  -4.829
  730   HG23  ILE  92          HG23      ILE  92  -7.470   6.720  -4.399
  731   HD11  ILE  92          HD11      ILE  92  -4.797   4.829  -6.209
  732   HD12  ILE  92          HD12      ILE  92  -5.592   3.345  -5.666
  733   HD13  ILE  92          HD13      ILE  92  -5.653   4.807  -4.665
  734    H    THR  93           HN       THR  93 -10.262   8.425  -6.387
  735    HA   THR  93           HA       THR  93  -9.889  10.349  -8.343
  736    HB   THR  93           HB       THR  93 -10.956  10.854  -5.577
  737    HG1  THR  93           HG1      THR  93 -12.143   9.512  -7.797
  738   HG21  THR  93          HG21      THR  93 -11.752  11.851  -8.325
  739   HG22  THR  93          HG22      THR  93 -10.863  12.770  -7.113
  740   HG23  THR  93          HG23      THR  93 -12.537  12.298  -6.810
  741    H    GLY  94           HN       GLY  94  -8.397  11.990  -8.525
  742    HA2  GLY  94           HA2      GLY  94  -6.462  12.247  -6.416
  743    HA3  GLY  94           HA1      GLY  94  -6.364  12.969  -8.034
  744    H    ASP  95           HN       ASP  95  -8.844  14.117  -8.195
  745    HA   ASP  95           HA       ASP  95  -8.364  16.190  -6.355
  746    HB2  ASP  95           HB2      ASP  95 -10.063  17.569  -7.596
  747    HB3  ASP  95           HB1      ASP  95  -8.722  16.992  -8.575
  748    H    THR  96           HN       THR  96  -8.938  15.345  -4.548
  749    HA   THR  96           HA       THR  96 -11.815  15.094  -4.119
  750    HB   THR  96           HB       THR  96 -10.828  12.861  -3.888
  751    HG1  THR  96           HG1      THR  96 -12.433  12.990  -2.496
  752   HG21  THR  96          HG21      THR  96  -9.056  14.101  -1.772
  753   HG22  THR  96          HG22      THR  96  -8.536  13.456  -3.322
  754   HG23  THR  96          HG23      THR  96  -9.183  12.370  -2.091
  755    H    GLU  97           HN       GLU  97  -8.785  16.301  -2.912
  756    HA   GLU  97           HA       GLU  97  -8.217  17.856  -1.448
  757    HB2  GLU  97           HB2      GLU  97 -10.994  18.958  -1.875
  758    HB3  GLU  97           HB1      GLU  97  -9.536  19.861  -1.459
  759    HG2  GLU  97           HG2      GLU  97  -8.636  18.864  -3.722
  760    HG3  GLU  97           HG1      GLU  97 -10.322  18.606  -4.030
  761    H    ASN  98           HN       ASN  98  -9.254  15.497  -0.363
  762    HA   ASN  98           HA       ASN  98 -10.429  16.382   2.184
  763    HB2  ASN  98           HB2      ASN  98 -10.506  13.716   0.773
  764    HB3  ASN  98           HB1      ASN  98 -10.736  13.800   2.507
  765   HD21  ASN  98          HD21      ASN  98 -12.149  14.347  -0.595
  766   HD22  ASN  98          HD22      ASN  98 -13.695  14.798  -0.016
  767    H    ASP  99           HN       ASP  99  -9.673  14.455   3.879
  768    HA   ASP  99           HA       ASP  99  -6.727  14.394   3.768
  769    HB2  ASP  99           HB2      ASP  99  -7.650  15.911   5.529
  770    HB3  ASP  99           HB1      ASP  99  -8.579  14.577   6.182
  771    H    SER 100           HN       SER 100  -8.678  12.643   2.710
  772    HA   SER 100           HA       SER 100  -9.181  10.389   4.374
  773    HB2  SER 100           HB2      SER 100 -10.688  11.205   2.578
  774    HB3  SER 100           HB1      SER 100  -9.479  10.754   1.385
  775    HG   SER 100           HG       SER 100 -10.383   8.804   3.185
  776    H    CYS 101           HN       CYS 101  -8.429   8.200   3.932
  777    HA   CYS 101           HA       CYS 101  -5.809   7.997   2.605
  778    HB2  CYS 101           HB2      CYS 101  -6.811   6.568   5.095
  779    HB3  CYS 101           HB1      CYS 101  -5.291   6.212   4.281
  780    H    ALA 102           HN       ALA 102  -5.543   6.005   1.390
  781    HA   ALA 102           HA       ALA 102  -8.166   5.006   0.602
  782    HB1  ALA 102           HB1      ALA 102  -6.790   6.033  -1.194
  783    HB2  ALA 102           HB2      ALA 102  -7.241   4.390  -1.546
  784    HB3  ALA 102           HB3      ALA 102  -5.604   4.745  -0.988
  785    H    ALA 103           HN       ALA 103  -8.618   2.883   0.135
  786    HA   ALA 103           HA       ALA 103  -6.932   0.786   1.272
  787    HB1  ALA 103           HB1      ALA 103  -8.414   1.473   3.121
  788    HB2  ALA 103           HB2      ALA 103  -8.877  -0.123   2.526
  789    HB3  ALA 103           HB3      ALA 103  -9.818   1.286   2.070
  790    H    ILE 104           HN       ILE 104  -7.480  -1.251   0.453
  791    HA   ILE 104           HA       ILE 104  -8.864  -1.422  -2.126
  792    HB   ILE 104           HB       ILE 104  -7.632  -3.428  -0.238
  793   HG12  ILE 104          HG12      ILE 104  -6.054  -1.992  -1.555
  794   HG13  ILE 104          HG11      ILE 104  -5.818  -3.723  -1.773
  795   HG21  ILE 104          HG21      ILE 104  -9.450  -4.630  -1.343
  796   HG22  ILE 104          HG22      ILE 104  -7.934  -5.227  -1.966
  797   HG23  ILE 104          HG23      ILE 104  -8.889  -4.099  -2.924
  798   HD11  ILE 104          HD11      ILE 104  -5.604  -2.516  -3.857
  799   HD12  ILE 104          HD12      ILE 104  -7.253  -1.886  -3.675
  800   HD13  ILE 104          HD13      ILE 104  -6.968  -3.630  -3.866
  801    H    SER 105           HN       SER 105 -10.919  -1.460  -2.215
  802    HA   SER 105           HA       SER 105 -12.324  -2.920  -0.136
  803    HB2  SER 105           HB2      SER 105 -12.445  -0.334   0.077
  804    HB3  SER 105           HB1      SER 105 -13.407  -0.397  -1.394
  805    HG   SER 105           HG       SER 105 -13.936  -1.307   1.167
  806    H    GLY 106           HN       GLY 106 -12.516  -4.642  -1.405
  807    HA2  GLY 106           HA2      GLY 106 -13.808  -5.928  -2.821
  808    HA3  GLY 106           HA1      GLY 106 -14.386  -4.465  -3.613
  809    H    ASP 107           HN       ASP 107 -13.907  -4.772  -5.635
  810    HA   ASP 107           HA       ASP 107 -11.169  -5.470  -6.485
  811    HB2  ASP 107           HB2      ASP 107 -13.755  -5.088  -8.043
  812    HB3  ASP 107           HB1      ASP 107 -12.200  -5.334  -8.811
  813    H    LYS 108           HN       LYS 108 -12.256  -2.979  -5.175
  814    HA   LYS 108           HA       LYS 108 -11.461  -0.996  -7.202
  815    HB2  LYS 108           HB2      LYS 108 -13.437  -0.508  -4.986
  816    HB3  LYS 108           HB1      LYS 108 -13.114   0.471  -6.406
  817    HG2  LYS 108           HG2      LYS 108 -14.511  -2.208  -6.392
  818    HG3  LYS 108           HG1      LYS 108 -15.262  -0.618  -6.516
  819    HD2  LYS 108           HD2      LYS 108 -14.205  -0.223  -8.648
  820    HD3  LYS 108           HD1      LYS 108 -13.270  -1.717  -8.454
  821    HE2  LYS 108           HE2      LYS 108 -15.209  -1.952  -9.990
  822    HE3  LYS 108           HE1      LYS 108 -15.222  -3.068  -8.630
  823    HZ1  LYS 108           HZ1      LYS 108 -16.866  -1.645  -7.545
  824    HZ2  LYS 108           HZ2      LYS 108 -17.404  -2.148  -9.028
  825    HZ3  LYS 108           HZ3      LYS 108 -16.847  -0.571  -8.849
  826    H    VAL 109           HN       VAL 109 -10.770   1.026  -6.069
  827    HA   VAL 109           HA       VAL 109  -9.591   0.500  -3.439
  828    HB   VAL 109           HB       VAL 109  -8.740   2.725  -5.264
  829   HG11  VAL 109          HG11      VAL 109  -6.642   2.617  -3.982
  830   HG12  VAL 109          HG12      VAL 109  -7.318   1.292  -3.038
  831   HG13  VAL 109          HG13      VAL 109  -8.064   2.889  -2.974
  832   HG21  VAL 109          HG21      VAL 109  -6.803   1.385  -6.040
  833   HG22  VAL 109          HG22      VAL 109  -8.349   0.840  -6.662
  834   HG23  VAL 109          HG23      VAL 109  -7.561  -0.060  -5.350
  835    H    THR 110           HN       THR 110 -10.348   1.939  -1.900
  836    HA   THR 110           HA       THR 110 -11.953   4.150  -2.924
  837    HB   THR 110           HB       THR 110 -13.636   3.744  -1.179
  838    HG1  THR 110           HG1      THR 110 -12.963   2.721   0.513
  839   HG21  THR 110          HG21      THR 110 -12.982   1.203  -2.653
  840   HG22  THR 110          HG22      THR 110 -13.955   2.526  -3.302
  841   HG23  THR 110          HG23      THR 110 -14.552   1.570  -1.935
  842    H    PHE 111           HN       PHE 111 -12.246   5.775  -1.098
  843    HA   PHE 111           HA       PHE 111 -10.010   5.575   0.691
  844    HB2  PHE 111           HB2      PHE 111  -9.929   8.186   0.523
  845    HB3  PHE 111           HB1      PHE 111  -9.097   7.193  -0.664
  846    HD1  PHE 111           HD2      PHE 111 -12.016   9.334  -0.046
  847    HD2  PHE 111           HD1      PHE 111  -9.745   7.184  -2.943
  848    HE1  PHE 111           HE2      PHE 111 -13.218  10.491  -1.850
  849    HE2  PHE 111           HE1      PHE 111 -10.935   8.327  -4.736
  850    HZ   PHE 111           HZ       PHE 111 -12.685   9.991  -4.201
  851    H    GLU 112           HN       GLU 112 -10.236   5.979   2.656
  852    HA   GLU 112           HA       GLU 112 -12.991   6.478   3.592
  853    HB2  GLU 112           HB2      GLU 112 -10.918   4.714   4.875
  854    HB3  GLU 112           HB1      GLU 112 -12.623   4.817   5.271
  855    HG2  GLU 112           HG2      GLU 112 -11.483   3.683   2.716
  856    HG3  GLU 112           HG1      GLU 112 -11.985   2.735   4.111
  857    H    SER 113           HN       SER 113 -12.944   7.241   5.914
  858    HA   SER 113           HA       SER 113 -11.011   9.193   6.611
  859    HB2  SER 113           HB2      SER 113 -12.880   7.581   8.349
  860    HB3  SER 113           HB1      SER 113 -12.176   9.153   8.736
  861    HG   SER 113           HG       SER 113 -13.561  10.119   7.464
  862    H    CYS 114           HN       CYS 114  -9.034   8.887   7.557
  863    HA   CYS 114           HA       CYS 114  -7.806   6.368   7.452
  864    HB2  CYS 114           HB2      CYS 114  -6.814   8.754   9.002
  865    HB3  CYS 114           HB1      CYS 114  -5.858   7.495   8.229
  866    H    ASN 115           HN       ASN 115  -9.641   7.803   9.902
  867    HA   ASN 115           HA       ASN 115  -8.510   6.307  12.113
  868    HB2  ASN 115           HB2      ASN 115 -10.138   7.487  13.482
  869    HB3  ASN 115           HB1      ASN 115  -9.270   8.619  12.447
  870   HD21  ASN 115          HD21      ASN 115 -10.420   9.629  10.706
  871   HD22  ASN 115          HD22      ASN 115 -12.134   9.602  10.624
  872    H    SER 116           HN       SER 116 -10.551   5.423   9.665
  873    HA   SER 116           HA       SER 116 -12.544   4.200  11.328
  874    HB2  SER 116           HB2      SER 116 -13.475   3.274   9.180
  875    HB3  SER 116           HB1      SER 116 -13.348   5.032   9.217
  876    HG   SER 116           HG       SER 116 -11.472   4.829   7.967
  877    H    ASP 117           HN       ASP 117 -12.998   2.014  11.502
  878    HA   ASP 117           HA       ASP 117 -10.668   0.388  11.866
  879    HB2  ASP 117           HB2      ASP 117 -12.438   0.263  13.502
  880    HB3  ASP 117           HB1      ASP 117 -13.617  -0.167  12.248
  881    H    ASN 118           HN       ASN 118  -9.761  -0.398  10.130
  882    HA   ASN 118           HA       ASN 118 -11.289  -2.163   8.390
  883    HB2  ASN 118           HB2      ASN 118  -9.650   0.174   7.410
  884    HB3  ASN 118           HB1      ASN 118  -9.870  -1.255   6.418
  885   HD21  ASN 118          HD21      ASN 118 -10.690   1.489   6.013
  886   HD22  ASN 118          HD22      ASN 118 -12.404   1.454   5.786
  887    H    ARG 119           HN       ARG 119  -9.565  -3.247   6.883
  888    HA   ARG 119           HA       ARG 119  -7.559  -4.257   8.776
  889    HB2  ARG 119           HB2      ARG 119  -8.324  -5.436   6.069
  890    HB3  ARG 119           HB1      ARG 119  -7.390  -6.174   7.322
  891    HG2  ARG 119           HG2      ARG 119  -9.504  -7.258   7.226
  892    HG3  ARG 119           HG1      ARG 119  -9.435  -6.329   8.718
  893    HD2  ARG 119           HD2      ARG 119 -10.842  -4.660   7.833
  894    HD3  ARG 119           HD1      ARG 119 -10.727  -5.306   6.203
  895    HE   ARG 119           HE       ARG 119 -11.905  -7.291   7.096
  896   HH11  ARG 119          HH11      ARG 119 -12.333  -4.251   8.902
  897   HH12  ARG 119          HH12      ARG 119 -13.954  -4.532   9.277
  898   HH21  ARG 119          HH21      ARG 119 -14.101  -7.691   7.636
  899   HH22  ARG 119          HH22      ARG 119 -15.002  -6.587   8.568
  900    H    TRP 120           HN       TRP 120  -5.519  -5.071   7.038
  901    HA   TRP 120           HA       TRP 120  -5.031  -2.879   5.244
  902    HB2  TRP 120           HB2      TRP 120  -3.107  -1.932   6.354
  903    HB3  TRP 120           HB1      TRP 120  -4.472  -1.882   7.460
  904    HD1  TRP 120           HD1      TRP 120  -0.992  -3.164   7.087
  905    HE1  TRP 120           HE1      TRP 120  -0.250  -4.370   9.184
  906    HE3  TRP 120           HE3      TRP 120  -5.501  -3.450   9.460
  907    HZ2  TRP 120           HZ2      TRP 120  -1.419  -5.360  11.569
  908    HZ3  TRP 120           HZ3      TRP 120  -5.593  -4.550  11.654
  909    HH2  TRP 120           HH2      TRP 120  -3.590  -5.484  12.683
  910    H    ILE 121           HN       ILE 121  -2.806  -3.021   4.274
  911    HA   ILE 121           HA       ILE 121  -1.896  -5.811   4.198
  912    HB   ILE 121           HB       ILE 121  -2.052  -3.885   1.855
  913   HG12  ILE 121          HG12      ILE 121  -3.470  -6.507   2.217
  914   HG13  ILE 121          HG11      ILE 121  -4.213  -4.986   2.673
  915   HG21  ILE 121          HG21      ILE 121  -1.104  -6.761   1.947
  916   HG22  ILE 121          HG22      ILE 121  -0.070  -5.354   1.744
  917   HG23  ILE 121          HG23      ILE 121  -1.246  -5.771   0.493
  918   HD11  ILE 121          HD11      ILE 121  -3.267  -5.780  -0.065
  919   HD12  ILE 121          HD12      ILE 121  -4.023  -4.240   0.341
  920   HD13  ILE 121          HD13      ILE 121  -4.948  -5.740   0.477
  921    H    CYS 122           HN       CYS 122   0.090  -6.010   4.755
  922    HA   CYS 122           HA       CYS 122   1.939  -3.704   4.742
  923    HB2  CYS 122           HB2      CYS 122   2.166  -6.411   6.067
  924    HB3  CYS 122           HB1      CYS 122   3.362  -5.129   6.139
  925    H    GLN 123           HN       GLN 123   3.700  -3.712   3.456
  926    HA   GLN 123           HA       GLN 123   4.277  -6.240   2.139
  927    HB2  GLN 123           HB2      GLN 123   4.883  -5.206   0.110
  928    HB3  GLN 123           HB1      GLN 123   3.362  -4.444   0.544
  929    HG2  GLN 123           HG2      GLN 123   4.426  -2.439   1.153
  930    HG3  GLN 123           HG1      GLN 123   6.004  -3.216   1.226
  931   HE21  GLN 123          HE21      GLN 123   6.964  -1.852  -0.188
  932   HE22  GLN 123          HE22      GLN 123   6.579  -1.805  -1.864
  933    H    LYS 124           HN       LYS 124   6.314  -6.766   2.155
  934    HA   LYS 124           HA       LYS 124   8.156  -4.941   3.546
  935    HB2  LYS 124           HB2      LYS 124   7.781  -7.173   4.608
  936    HB3  LYS 124           HB1      LYS 124   8.372  -7.928   3.136
  937    HG2  LYS 124           HG2      LYS 124  10.525  -6.714   3.463
  938    HG3  LYS 124           HG1      LYS 124   9.926  -6.211   5.045
  939    HD2  LYS 124           HD2      LYS 124  10.145  -9.092   4.168
  940    HD3  LYS 124           HD1      LYS 124  11.372  -8.155   5.054
  941    HE2  LYS 124           HE2      LYS 124   8.611  -8.400   6.132
  942    HE3  LYS 124           HE1      LYS 124   9.781  -9.702   6.350
  943    HZ1  LYS 124           HZ1      LYS 124  10.232  -6.850   7.180
  944    HZ2  LYS 124           HZ2      LYS 124  11.288  -8.122   7.388
  945    HZ3  LYS 124           HZ3      LYS 124   9.850  -8.120   8.226
  946    H    GLU 125           HN       GLU 125   9.656  -4.032   2.223
  947    HA   GLU 125           HA       GLU 125   9.811  -4.927  -0.463
  948    HB2  GLU 125           HB2      GLU 125  10.083  -2.558   0.078
  949    HB3  GLU 125           HB1      GLU 125  11.513  -2.910   1.037
  950    HG2  GLU 125           HG2      GLU 125  12.709  -3.581  -0.945
  951    HG3  GLU 125           HG1      GLU 125  11.253  -3.403  -1.923
  952    H    LEU 126           HN       LEU 126  10.856  -6.520  -1.115
  953    HA   LEU 126           HA       LEU 126  12.298  -8.158   0.693
  954    HB2  LEU 126           HB2      LEU 126  10.625  -8.824  -1.043
  955    HB3  LEU 126           HB1      LEU 126  11.799  -8.556  -2.287
  956    HG   LEU 126           HG       LEU 126  13.103 -10.405  -1.549
  957   HD11  LEU 126          HD11      LEU 126  12.762 -10.127   0.908
  958   HD12  LEU 126          HD12      LEU 126  12.315 -11.756   0.359
  959   HD13  LEU 126          HD13      LEU 126  11.065 -10.552   0.657
  960   HD21  LEU 126          HD21      LEU 126  10.169 -10.961  -1.495
  961   HD22  LEU 126          HD22      LEU 126  11.449 -12.107  -1.912
  962   HD23  LEU 126          HD23      LEU 126  11.144 -10.682  -2.934
  963    H    TYR 127           HN       TYR 127  13.052  -5.948  -1.733
  964    HA   TYR 127           HA       TYR 127  15.894  -6.596  -1.610
  965    HB2  TYR 127           HB2      TYR 127  14.291  -4.782  -3.386
  966    HB3  TYR 127           HB1      TYR 127  16.040  -4.615  -3.288
  967    HD1  TYR 127           HD2      TYR 127  13.379  -7.098  -3.976
  968    HD2  TYR 127           HD1      TYR 127  17.414  -5.955  -4.594
  969    HE1  TYR 127           HE2      TYR 127  13.641  -8.920  -5.592
  970    HE2  TYR 127           HE1      TYR 127  17.691  -7.789  -6.207
  971    HH   TYR 127           HH       TYR 127  16.600  -9.996  -6.650
  972    H    HIS 128           HN       HIS 128  17.097  -5.693  -0.185
  973    HA   HIS 128           HA       HIS 128  15.999  -3.458   1.364
  974    HB2  HIS 128           HB2      HIS 128  18.258  -5.360   2.068
  975    HB3  HIS 128           HB1      HIS 128  17.515  -4.182   3.134
  976    HD1  HIS 128           HD1      HIS 128  15.094  -4.776   4.040
  977    HD2  HIS 128           HD2      HIS 128  16.910  -7.771   1.811
  978    HE1  HIS 128           HE1      HIS 128  13.696  -6.834   4.388
  979    HE2  HIS 128           HE2      HIS 128  15.022  -8.660   3.285
  980    H    GLU 129           HN       GLU 129  16.988  -2.766  -1.071
  981    HA   GLU 129           HA       GLU 129  19.792  -2.244  -1.002
  982    HB2  GLU 129           HB2      GLU 129  17.766  -1.167  -2.957
  983    HB3  GLU 129           HB1      GLU 129  19.505  -1.226  -3.181
  984    HG2  GLU 129           HG2      GLU 129  17.631  -3.568  -3.008
  985    HG3  GLU 129           HG1      GLU 129  18.424  -2.978  -4.465
  986    H    THR 130           HN       THR 130  19.547  -1.170   1.002
  987    HA   THR 130           HA       THR 130  20.010   1.661   0.734
  988    HB   THR 130           HB       THR 130  17.867   0.699   2.692
  989    HG1  THR 130           HG1      THR 130  17.575   1.221   0.170
  990   HG21  THR 130          HG21      THR 130  18.861   3.492   2.065
  991   HG22  THR 130          HG22      THR 130  19.194   2.588   3.539
  992   HG23  THR 130          HG23      THR 130  17.545   3.098   3.171
  993    H    LEU 131           HN       LEU 131  19.305  -0.989   2.977
  994    HA   LEU 131           HA       LEU 131  21.649  -0.386   4.624
  995    HB2  LEU 131           HB2      LEU 131  19.374  -2.343   4.982
  996    HB3  LEU 131           HB1      LEU 131  20.616  -2.001   6.169
  997    HG   LEU 131           HG       LEU 131  18.497  -0.059   5.229
  998   HD11  LEU 131          HD11      LEU 131  17.579  -0.319   7.470
  999   HD12  LEU 131          HD12      LEU 131  18.804  -1.535   7.829
 1000   HD13  LEU 131          HD13      LEU 131  17.585  -1.850   6.597
 1001   HD21  LEU 131          HD21      LEU 131  20.565   1.082   5.851
 1002   HD22  LEU 131          HD22      LEU 131  20.596   0.214   7.386
 1003   HD23  LEU 131          HD23      LEU 131  19.308   1.372   7.053
 1004    H    SER 132           HN       SER 132  21.534  -1.494   1.900
 1005    HA   SER 132           HA       SER 132  22.137  -4.251   1.913
 1006    HB2  SER 132           HB2      SER 132  22.800  -3.585  -0.474
 1007    HB3  SER 132           HB1      SER 132  21.125  -3.298   0.006
 1008    HG   SER 132           HG       SER 132  23.195  -1.409   0.204
 1009    H    ASN 133           HN       ASN 133  23.963  -4.936   2.791
 1010    HA   ASN 133           HA       ASN 133  26.090  -5.158   3.502
 1011    HB2  ASN 133           HB2      ASN 133  26.697  -3.390   1.130
 1012    HB3  ASN 133           HB1      ASN 133  27.949  -3.977   2.209
 1013   HD21  ASN 133          HD21      ASN 133  26.698  -6.623   2.564
 1014   HD22  ASN 133          HD22      ASN 133  26.914  -7.432   1.071
 1015    H    TYR 134           HN       TYR 134  26.370  -1.834   2.542
 1016    HA   TYR 134           HA       TYR 134  26.608  -1.089   5.326
 1017    HB2  TYR 134           HB2      TYR 134  28.720  -0.673   3.222
 1018    HB3  TYR 134           HB1      TYR 134  28.777   0.061   4.839
 1019    HD1  TYR 134           HD2      TYR 134  28.826  -1.648   6.807
 1020    HD2  TYR 134           HD1      TYR 134  29.685  -2.685   2.774
 1021    HE1  TYR 134           HE2      TYR 134  29.937  -3.704   7.570
 1022    HE2  TYR 134           HE1      TYR 134  30.782  -4.739   3.522
 1023    HH   TYR 134           HH       TYR 134  31.815  -5.629   5.462
 1024    H    VAL 135           HN       VAL 135  25.999   1.015   5.585
 1025    HA   VAL 135           HA       VAL 135  24.741   2.286   3.291
 1026    HB   VAL 135           HB       VAL 135  24.815   3.197   6.192
 1027   HG11  VAL 135          HG11      VAL 135  24.241   4.998   4.650
 1028   HG12  VAL 135          HG12      VAL 135  22.840   4.536   5.620
 1029   HG13  VAL 135          HG13      VAL 135  22.964   4.006   3.945
 1030   HG21  VAL 135          HG21      VAL 135  23.795   0.999   6.014
 1031   HG22  VAL 135          HG22      VAL 135  22.714   1.588   4.750
 1032   HG23  VAL 135          HG23      VAL 135  22.579   2.219   6.393
 1033    H    GLY 136           HN       GLY 136  27.548   2.495   5.205
 1034    HA2  GLY 136           HA2      GLY 136  29.505   3.609   4.615
 1035    HA3  GLY 136           HA1      GLY 136  28.572   4.669   3.564
 1036    H    TYR 137           HN       TYR 137  28.121   3.829   6.978
 1037    HA   TYR 137           HA       TYR 137  27.547   6.513   7.647
 1038    HB2  TYR 137           HB2      TYR 137  28.224   4.200   9.430
 1039    HB3  TYR 137           HB1      TYR 137  27.632   5.750   9.994
 1040    HD1  TYR 137           HD1      TYR 137  25.351   6.492   8.692
 1041    HD2  TYR 137           HD2      TYR 137  26.649   2.508   9.363
 1042    HE1  TYR 137           HE1      TYR 137  23.019   5.711   8.529
 1043    HE2  TYR 137           HE2      TYR 137  24.329   1.719   9.195
 1044    HH   TYR 137           HH       TYR 137  21.794   3.616   8.010
 1045    H    GLY 138           HN       GLY 138  28.718   7.936   8.847
 1046    HA2  GLY 138           HA2      GLY 138  30.780   8.372  10.149
 1047    HA3  GLY 138           HA1      GLY 138  31.629   7.466   8.894
 1048    H    HIS 139           HN       HIS 139  29.855   8.492   6.885
 1049    HA   HIS 139           HA       HIS 139  29.762  10.084   5.280
 1050    HB2  HIS 139           HB2      HIS 139  28.611  11.438   7.007
 1051    HB3  HIS 139           HB1      HIS 139  30.161  12.013   7.600
 1052    HD1  HIS 139           HD1      HIS 139  31.369  13.793   6.168
 1053    HD2  HIS 139           HD2      HIS 139  27.624  12.750   4.755
 1054    HE1  HIS 139           HE1      HIS 139  30.767  15.574   4.503
 1055    HE2  HIS 139           HE2      HIS 139  28.623  14.753   3.473
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1  14.385  -9.425 -10.720
    2    H2   SER   1           HT2      SER   1  14.528  -8.866  -9.141
    3    H3   SER   1           HT3      SER   1  13.975  -7.838 -10.363
    4    HA   SER   1           HA       SER   1  12.137  -8.562  -9.023
    5    HB2  SER   1           HB2      SER   1  12.022  -8.174 -11.551
    6    HB3  SER   1           HB1      SER   1  12.100  -9.922 -11.733
    7    HG   SER   1           HG       SER   1  10.134  -8.366 -10.467
    8    H    ALA   2           HN       ALA   2  14.445 -10.514  -8.463
    9    HA   ALA   2           HA       ALA   2  12.960 -13.008  -8.450
   10    HB1  ALA   2           HB1      ALA   2  15.922 -12.492  -8.155
   11    HB2  ALA   2           HB2      ALA   2  15.116 -13.127  -9.594
   12    HB3  ALA   2           HB3      ALA   2  15.143 -14.073  -8.108
   13    H    LYS   3           HN       LYS   3  11.769 -12.623  -6.724
   14    HA   LYS   3           HA       LYS   3  11.931 -11.772  -4.288
   15    HB2  LYS   3           HB2      LYS   3  11.057 -14.579  -4.893
   16    HB3  LYS   3           HB1      LYS   3  10.597 -13.545  -3.539
   17    HG2  LYS   3           HG2      LYS   3   9.014 -12.544  -4.677
   18    HG3  LYS   3           HG1      LYS   3  10.070 -12.243  -6.043
   19    HD2  LYS   3           HD2      LYS   3   8.163 -13.645  -6.709
   20    HD3  LYS   3           HD1      LYS   3   9.683 -14.518  -6.876
   21    HE2  LYS   3           HE2      LYS   3   9.235 -15.612  -4.694
   22    HE3  LYS   3           HE1      LYS   3   7.689 -14.772  -4.633
   23    HZ1  LYS   3           HZ1      LYS   3   7.023 -15.947  -6.659
   24    HZ2  LYS   3           HZ2      LYS   3   7.430 -17.010  -5.441
   25    HZ3  LYS   3           HZ3      LYS   3   8.509 -16.746  -6.692
   26    H    LEU   4           HN       LEU   4  12.698 -12.222  -2.386
   27    HA   LEU   4           HA       LEU   4  14.728 -14.284  -1.933
   28    HB2  LEU   4           HB2      LEU   4  14.158 -11.715  -0.383
   29    HB3  LEU   4           HB1      LEU   4  15.381 -12.881   0.042
   30    HG   LEU   4           HG       LEU   4  16.505 -12.305  -2.192
   31   HD11  LEU   4          HD11      LEU   4  14.655 -11.215  -3.293
   32   HD12  LEU   4          HD12      LEU   4  16.041 -10.134  -3.155
   33   HD13  LEU   4          HD13      LEU   4  14.661  -9.936  -2.076
   34   HD21  LEU   4          HD21      LEU   4  17.370 -11.568  -0.044
   35   HD22  LEU   4          HD22      LEU   4  16.291 -10.170  -0.078
   36   HD23  LEU   4          HD23      LEU   4  17.579 -10.319  -1.270
   37    H    GLU   5           HN       GLU   5  14.275 -13.993   1.040
   38    HA   GLU   5           HA       GLU   5  11.993 -15.817   1.170
   39    HB2  GLU   5           HB2      GLU   5  13.851 -14.902   3.359
   40    HB3  GLU   5           HB1      GLU   5  12.656 -16.172   3.489
   41    HG2  GLU   5           HG2      GLU   5  13.905 -17.479   1.821
   42    HG3  GLU   5           HG1      GLU   5  15.134 -16.208   1.786
   43    H    CYS   6           HN       CYS   6  10.143 -15.512   2.204
   44    HA   CYS   6           HA       CYS   6   9.585 -12.887   3.392
   45    HB2  CYS   6           HB2      CYS   6   7.739 -14.743   1.863
   46    HB3  CYS   6           HB1      CYS   6   7.260 -13.241   2.639
   47    HA   PRO   7           HA       PRO   7   8.315 -15.288   6.982
   48    HB2  PRO   7           HB2      PRO   7   6.031 -13.485   7.425
   49    HB3  PRO   7           HB1      PRO   7   7.468 -13.729   8.433
   50    HG2  PRO   7           HG2      PRO   7   7.064 -11.473   7.079
   51    HG3  PRO   7           HG1      PRO   7   8.675 -12.133   7.408
   52    HD2  PRO   7           HD2      PRO   7   7.093 -12.191   4.893
   53    HD3  PRO   7           HD1      PRO   7   8.834 -11.954   5.153
   54    H    GLN   8           HN       GLN   8   6.411 -16.466   7.847
   55    HA   GLN   8           HA       GLN   8   5.386 -18.191   5.965
   56    HB2  GLN   8           HB2      GLN   8   3.944 -19.103   7.723
   57    HB3  GLN   8           HB1      GLN   8   5.568 -18.781   8.317
   58    HG2  GLN   8           HG2      GLN   8   4.819 -16.794   9.438
   59    HG3  GLN   8           HG1      GLN   8   3.228 -16.934   8.709
   60   HE21  GLN   8          HE21      GLN   8   2.138 -17.025  10.542
   61   HE22  GLN   8          HE22      GLN   8   2.192 -18.325  11.673
   62    H    ASP   9           HN       ASP   9   3.626 -15.445   7.379
   63    HA   ASP   9           HA       ASP   9   1.191 -16.146   5.910
   64    HB2  ASP   9           HB2      ASP   9   1.730 -13.948   7.909
   65    HB3  ASP   9           HB1      ASP   9   0.186 -14.238   7.140
   66    H    TRP  10           HN       TRP  10   3.655 -15.039   4.587
   67    HA   TRP  10           HA       TRP  10   2.385 -12.641   3.480
   68    HB2  TRP  10           HB2      TRP  10   5.330 -13.163   3.911
   69    HB3  TRP  10           HB1      TRP  10   4.666 -11.786   3.034
   70    HD1  TRP  10           HD1      TRP  10   4.126 -13.271   6.609
   71    HE1  TRP  10           HE1      TRP  10   4.124 -11.311   8.279
   72    HE3  TRP  10           HE3      TRP  10   4.773  -9.409   3.348
   73    HZ2  TRP  10           HZ2      TRP  10   4.356  -8.540   8.224
   74    HZ3  TRP  10           HZ3      TRP  10   4.873  -7.137   4.253
   75    HH2  TRP  10           HH2      TRP  10   4.669  -6.714   6.635
   76    H    LEU  11           HN       LEU  11   2.103 -12.624   1.372
   77    HA   LEU  11           HA       LEU  11   2.948 -14.926  -0.215
   78    HB2  LEU  11           HB2      LEU  11   1.360 -12.496  -1.102
   79    HB3  LEU  11           HB1      LEU  11   1.598 -13.956  -2.023
   80    HG   LEU  11           HG       LEU  11  -0.585 -14.079  -1.328
   81   HD11  LEU  11          HD11      LEU  11  -0.781 -15.892   0.268
   82   HD12  LEU  11          HD12      LEU  11   0.918 -15.685   0.695
   83   HD13  LEU  11          HD13      LEU  11   0.472 -16.162  -0.944
   84   HD21  LEU  11          HD21      LEU  11  -1.438 -13.611   0.900
   85   HD22  LEU  11          HD22      LEU  11  -0.569 -12.217   0.242
   86   HD23  LEU  11          HD23      LEU  11   0.196 -13.234   1.463
   87    H    SER  12           HN       SER  12   4.547 -14.782  -1.799
   88    HA   SER  12           HA       SER  12   6.036 -12.287  -1.716
   89    HB2  SER  12           HB2      SER  12   7.240 -14.384  -1.091
   90    HB3  SER  12           HB1      SER  12   6.910 -15.040  -2.693
   91    HG   SER  12           HG       SER  12   8.769 -13.369  -1.803
   92    H    HIS  13           HN       HIS  13   5.948 -10.929  -3.409
   93    HA   HIS  13           HA       HIS  13   5.307 -12.020  -6.062
   94    HB2  HIS  13           HB2      HIS  13   3.244 -10.990  -5.317
   95    HB3  HIS  13           HB1      HIS  13   4.100  -9.528  -4.844
   96    HD1  HIS  13           HD1      HIS  13   4.203  -7.648  -6.626
   97    HD2  HIS  13           HD2      HIS  13   3.191 -11.363  -8.250
   98    HE1  HIS  13           HE1      HIS  13   3.682  -7.229  -8.998
   99    HE2  HIS  13           HE2      HIS  13   3.450  -9.439 -10.020
  100    H    ARG  14           HN       ARG  14   7.064 -11.815  -7.117
  101    HA   ARG  14           HA       ARG  14   8.829 -11.058  -8.244
  102    HB2  ARG  14           HB2      ARG  14   7.699  -8.293  -7.884
  103    HB3  ARG  14           HB1      ARG  14   8.913  -8.795  -9.046
  104    HG2  ARG  14           HG2      ARG  14   7.184 -10.288 -10.062
  105    HG3  ARG  14           HG1      ARG  14   5.999  -9.504  -9.007
  106    HD2  ARG  14           HD2      ARG  14   7.652  -8.268 -11.201
  107    HD3  ARG  14           HD1      ARG  14   5.897  -8.341 -11.068
  108    HE   ARG  14           HE       ARG  14   7.103  -6.921  -8.906
  109   HH11  ARG  14          HH11      ARG  14   5.771  -6.532 -12.187
  110   HH12  ARG  14          HH12      ARG  14   5.886  -4.843 -12.151
  111   HH21  ARG  14          HH21      ARG  14   7.154  -4.580  -8.877
  112   HH22  ARG  14          HH22      ARG  14   6.661  -3.731 -10.271
  113    H    ASP  15           HN       ASP  15   8.389  -8.442  -5.897
  114    HA   ASP  15           HA       ASP  15  11.046  -9.000  -4.952
  115    HB2  ASP  15           HB2      ASP  15  11.851  -6.711  -5.342
  116    HB3  ASP  15           HB1      ASP  15  11.390  -7.496  -6.841
  117    H    LYS  16           HN       LYS  16   8.089  -8.790  -3.922
  118    HA   LYS  16           HA       LYS  16   8.727  -7.572  -1.405
  119    HB2  LYS  16           HB2      LYS  16   6.334  -6.527  -2.967
  120    HB3  LYS  16           HB1      LYS  16   6.536  -6.315  -1.246
  121    HG2  LYS  16           HG2      LYS  16   7.347  -4.307  -1.839
  122    HG3  LYS  16           HG1      LYS  16   8.840  -5.181  -2.125
  123    HD2  LYS  16           HD2      LYS  16   8.397  -3.757  -3.984
  124    HD3  LYS  16           HD1      LYS  16   8.196  -5.434  -4.490
  125    HE2  LYS  16           HE2      LYS  16   5.807  -5.233  -4.423
  126    HE3  LYS  16           HE1      LYS  16   5.917  -3.644  -3.664
  127    HZ1  LYS  16           HZ1      LYS  16   5.451  -3.601  -6.083
  128    HZ2  LYS  16           HZ2      LYS  16   6.998  -4.250  -6.347
  129    HZ3  LYS  16           HZ3      LYS  16   6.825  -2.746  -5.612
  130    H    CYS  17           HN       CYS  17   7.369  -8.255   0.271
  131    HA   CYS  17           HA       CYS  17   5.761 -10.657  -0.358
  132    HB2  CYS  17           HB2      CYS  17   6.751  -9.786   2.353
  133    HB3  CYS  17           HB1      CYS  17   6.258 -11.393   1.833
  134    H    PHE  18           HN       PHE  18   3.571 -10.593   0.257
  135    HA   PHE  18           HA       PHE  18   2.665  -8.026   1.415
  136    HB2  PHE  18           HB2      PHE  18   1.063  -9.912  -0.305
  137    HB3  PHE  18           HB1      PHE  18   0.572  -8.317   0.233
  138    HD1  PHE  18           HD2      PHE  18   3.148  -6.838  -0.360
  139    HD2  PHE  18           HD1      PHE  18   0.944  -9.711  -2.574
  140    HE1  PHE  18           HE2      PHE  18   4.074  -5.926  -2.442
  141    HE2  PHE  18           HE1      PHE  18   1.869  -8.805  -4.670
  142    HZ   PHE  18           HZ       PHE  18   3.437  -6.906  -4.604
  143    H    HIS  19           HN       HIS  19   1.292  -8.010   3.074
  144    HA   HIS  19           HA       HIS  19   0.244 -10.562   4.098
  145    HB2  HIS  19           HB2      HIS  19   2.137  -9.619   5.625
  146    HB3  HIS  19           HB1      HIS  19   1.096  -8.231   5.825
  147    HD1  HIS  19           HD1      HIS  19   1.437 -11.801   6.842
  148    HD2  HIS  19           HD2      HIS  19  -1.070  -8.575   7.550
  149    HE1  HIS  19           HE1      HIS  19   0.098 -12.412   8.868
  150    HE2  HIS  19           HE2      HIS  19  -1.561 -10.560   9.118
  151    H    VAL  20           HN       VAL  20  -1.892 -10.429   3.804
  152    HA   VAL  20           HA       VAL  20  -3.203  -7.823   3.897
  153    HB   VAL  20           HB       VAL  20  -4.349 -10.538   3.171
  154   HG11  VAL  20          HG11      VAL  20  -5.494  -7.769   2.788
  155   HG12  VAL  20          HG12      VAL  20  -6.017  -8.951   3.983
  156   HG13  VAL  20          HG13      VAL  20  -6.238  -9.284   2.268
  157   HG21  VAL  20          HG21      VAL  20  -4.241  -9.797   0.837
  158   HG22  VAL  20          HG22      VAL  20  -2.632  -9.843   1.561
  159   HG23  VAL  20          HG23      VAL  20  -3.462  -8.301   1.347
  160    H    SER  21           HN       SER  21  -3.418  -7.324   5.996
  161    HA   SER  21           HA       SER  21  -4.021  -9.246   8.020
  162    HB2  SER  21           HB2      SER  21  -4.164  -6.240   8.173
  163    HB3  SER  21           HB1      SER  21  -3.839  -7.379   9.479
  164    HG   SER  21           HG       SER  21  -2.105  -6.110   8.130
  165    H    GLN  22           HN       GLN  22  -6.085  -9.995   8.288
  166    HA   GLN  22           HA       GLN  22  -8.374  -8.529   7.249
  167    HB2  GLN  22           HB2      GLN  22  -8.120 -11.271   8.481
  168    HB3  GLN  22           HB1      GLN  22  -9.663 -10.573   8.029
  169    HG2  GLN  22           HG2      GLN  22  -7.369 -11.095   6.153
  170    HG3  GLN  22           HG1      GLN  22  -8.789 -12.117   6.340
  171   HE21  GLN  22          HE21      GLN  22 -10.605  -9.781   6.607
  172   HE22  GLN  22          HE22      GLN  22 -10.813  -9.158   5.031
  173    H    VAL  23           HN       VAL  23  -6.825  -7.808   9.631
  174    HA   VAL  23           HA       VAL  23  -9.034  -7.582  11.539
  175    HB   VAL  23           HB       VAL  23  -7.225  -7.130  13.308
  176   HG11  VAL  23          HG11      VAL  23  -7.311  -9.869  12.048
  177   HG12  VAL  23          HG12      VAL  23  -8.452  -9.217  13.228
  178   HG13  VAL  23          HG13      VAL  23  -6.776  -9.510  13.693
  179   HG21  VAL  23          HG21      VAL  23  -5.354  -6.720  11.770
  180   HG22  VAL  23          HG22      VAL  23  -5.449  -8.392  11.213
  181   HG23  VAL  23          HG23      VAL  23  -4.993  -8.043  12.881
  182    H    SER  24           HN       SER  24  -9.027  -5.452  12.684
  183    HA   SER  24           HA       SER  24  -8.280  -3.567  10.611
  184    HB2  SER  24           HB2      SER  24 -10.545  -3.390  12.584
  185    HB3  SER  24           HB1      SER  24 -10.128  -2.153  11.412
  186    HG   SER  24           HG       SER  24 -10.841  -4.829  10.850
  187    H    ASN  25           HN       ASN  25  -7.819  -1.445  11.100
  188    HA   ASN  25           HA       ASN  25  -6.911  -0.502  13.647
  189    HB2  ASN  25           HB2      ASN  25  -5.108  -1.391  11.476
  190    HB3  ASN  25           HB1      ASN  25  -4.679   0.107  12.307
  191   HD21  ASN  25          HD21      ASN  25  -3.091  -2.075  12.226
  192   HD22  ASN  25          HD22      ASN  25  -2.910  -2.742  13.795
  193    H    THR  26           HN       THR  26  -6.107   1.769  13.242
  194    HA   THR  26           HA       THR  26  -7.527   2.989  11.035
  195    HB   THR  26           HB       THR  26  -6.433   5.143  11.926
  196    HG1  THR  26           HG1      THR  26  -5.675   3.397  14.049
  197   HG21  THR  26          HG21      THR  26  -7.853   5.265  13.938
  198   HG22  THR  26          HG22      THR  26  -8.111   3.520  13.854
  199   HG23  THR  26          HG23      THR  26  -8.703   4.572  12.566
  200    H    TRP  27           HN       TRP  27  -6.131   4.576   9.565
  201    HA   TRP  27           HA       TRP  27  -4.450   2.884   8.105
  202    HB2  TRP  27           HB2      TRP  27  -5.640   4.761   7.070
  203    HB3  TRP  27           HB1      TRP  27  -4.644   5.904   7.964
  204    HD1  TRP  27           HD1      TRP  27  -4.568   3.599   4.939
  205    HE1  TRP  27           HE1      TRP  27  -2.478   4.087   3.555
  206    HE3  TRP  27           HE3      TRP  27  -2.266   6.765   8.149
  207    HZ2  TRP  27           HZ2      TRP  27  -0.108   5.668   3.805
  208    HZ3  TRP  27           HZ3      TRP  27  -0.131   7.719   7.578
  209    HH2  TRP  27           HH2      TRP  27   0.966   7.192   5.418
  210    H    GLU  28           HN       GLU  28  -3.559   5.616  10.194
  211    HA   GLU  28           HA       GLU  28  -0.779   5.401   9.737
  212    HB2  GLU  28           HB2      GLU  28  -2.254   6.631  12.062
  213    HB3  GLU  28           HB1      GLU  28  -0.561   6.920  11.667
  214    HG2  GLU  28           HG2      GLU  28  -1.259   7.965   9.574
  215    HG3  GLU  28           HG1      GLU  28  -2.947   7.643   9.983
  216    H    GLU  29           HN       GLU  29  -2.931   3.918  12.001
  217    HA   GLU  29           HA       GLU  29  -1.034   2.862  13.798
  218    HB2  GLU  29           HB2      GLU  29  -3.408   3.298  14.258
  219    HB3  GLU  29           HB1      GLU  29  -3.842   2.090  13.075
  220    HG2  GLU  29           HG2      GLU  29  -2.975   0.372  14.440
  221    HG3  GLU  29           HG1      GLU  29  -2.393   1.544  15.638
  222    H    GLY  30           HN       GLY  30  -2.800   1.568  10.978
  223    HA2  GLY  30           HA2      GLY  30  -1.648  -1.032  10.914
  224    HA3  GLY  30           HA1      GLY  30  -2.354  -0.213   9.548
  225    H    LEU  31           HN       LEU  31  -0.652   2.025   9.566
  226    HA   LEU  31           HA       LEU  31   1.498   1.261   8.012
  227    HB2  LEU  31           HB2      LEU  31   0.591   3.534   8.073
  228    HB3  LEU  31           HB1      LEU  31   1.058   3.713   9.732
  229    HG   LEU  31           HG       LEU  31   2.394   5.012   8.004
  230   HD11  LEU  31          HD11      LEU  31   4.527   4.714   9.118
  231   HD12  LEU  31          HD12      LEU  31   3.957   3.208   9.835
  232   HD13  LEU  31          HD13      LEU  31   3.204   4.736  10.282
  233   HD21  LEU  31          HD21      LEU  31   3.590   2.302   7.479
  234   HD22  LEU  31          HD22      LEU  31   4.187   3.840   6.851
  235   HD23  LEU  31          HD23      LEU  31   2.604   3.234   6.360
  236    H    VAL  32           HN       VAL  32   1.436   2.164  11.442
  237    HA   VAL  32           HA       VAL  32   4.144   1.578  11.967
  238    HB   VAL  32           HB       VAL  32   1.818   1.734  13.915
  239   HG11  VAL  32          HG11      VAL  32   4.791   1.871  14.419
  240   HG12  VAL  32          HG12      VAL  32   3.708   0.563  14.904
  241   HG13  VAL  32          HG13      VAL  32   3.530   2.165  15.615
  242   HG21  VAL  32          HG21      VAL  32   2.130   3.793  12.648
  243   HG22  VAL  32          HG22      VAL  32   3.840   3.800  13.073
  244   HG23  VAL  32          HG23      VAL  32   2.620   4.019  14.329
  245    H    ASP  33           HN       ASP  33   1.222  -0.333  12.158
  246    HA   ASP  33           HA       ASP  33   2.340  -2.576  13.403
  247    HB2  ASP  33           HB2      ASP  33  -0.108  -2.093  11.822
  248    HB3  ASP  33           HB1      ASP  33   0.393  -3.765  11.932
  249    H    CYS  34           HN       CYS  34   2.293  -1.641  10.023
  250    HA   CYS  34           HA       CYS  34   3.430  -4.052   9.065
  251    HB2  CYS  34           HB2      CYS  34   3.555  -1.281   7.894
  252    HB3  CYS  34           HB1      CYS  34   4.059  -2.695   7.034
  253    H    ASP  35           HN       ASP  35   4.823  -0.992  10.135
  254    HA   ASP  35           HA       ASP  35   7.492  -1.722   9.642
  255    HB2  ASP  35           HB2      ASP  35   6.222   0.421  11.271
  256    HB3  ASP  35           HB1      ASP  35   7.881  -0.002  11.679
  257    H    GLY  36           HN       GLY  36   5.327  -2.599  12.097
  258    HA2  GLY  36           HA2      GLY  36   7.070  -3.483  14.103
  259    HA3  GLY  36           HA1      GLY  36   5.454  -4.119  13.798
  260    H    LYS  37           HN       LYS  37   6.054  -5.021  11.105
  261    HA   LYS  37           HA       LYS  37   7.581  -7.419  11.815
  262    HB2  LYS  37           HB2      LYS  37   5.962  -6.858   9.316
  263    HB3  LYS  37           HB1      LYS  37   6.823  -8.345   9.625
  264    HG2  LYS  37           HG2      LYS  37   4.664  -8.948  10.171
  265    HG3  LYS  37           HG1      LYS  37   5.287  -8.450  11.734
  266    HD2  LYS  37           HD2      LYS  37   4.221  -6.318  11.576
  267    HD3  LYS  37           HD1      LYS  37   3.753  -6.620   9.904
  268    HE2  LYS  37           HE2      LYS  37   1.842  -6.958  11.331
  269    HE3  LYS  37           HE1      LYS  37   2.363  -8.494  10.650
  270    HZ1  LYS  37           HZ1      LYS  37   3.448  -9.026  12.771
  271    HZ2  LYS  37           HZ2      LYS  37   1.818  -8.657  13.031
  272    HZ3  LYS  37           HZ3      LYS  37   2.994  -7.527  13.390
  273    H    GLY  38           HN       GLY  38   8.515  -4.564  10.963
  274    HA2  GLY  38           HA2      GLY  38  10.352  -3.717   9.879
  275    HA3  GLY  38           HA1      GLY  38  10.875  -5.380   9.598
  276    H    ALA  39           HN       ALA  39   7.930  -3.772   8.642
  277    HA   ALA  39           HA       ALA  39   8.631  -4.169   5.852
  278    HB1  ALA  39           HB1      ALA  39   6.052  -4.856   7.236
  279    HB2  ALA  39           HB2      ALA  39   7.234  -6.011   6.554
  280    HB3  ALA  39           HB3      ALA  39   6.333  -4.931   5.496
  281    H    THR  40           HN       THR  40   6.776  -2.975   4.563
  282    HA   THR  40           HA       THR  40   6.287  -0.429   5.865
  283    HB   THR  40           HB       THR  40   6.290   0.271   3.297
  284    HG1  THR  40           HG1      THR  40   8.413  -1.320   2.806
  285   HG21  THR  40          HG21      THR  40   7.777   1.207   5.000
  286   HG22  THR  40          HG22      THR  40   8.672   0.886   3.514
  287   HG23  THR  40          HG23      THR  40   8.814  -0.215   4.891
  288    H    LEU  41           HN       LEU  41   4.299   0.661   4.963
  289    HA   LEU  41           HA       LEU  41   2.151  -1.255   4.706
  290    HB2  LEU  41           HB2      LEU  41   2.029   0.887   6.059
  291    HB3  LEU  41           HB1      LEU  41   2.076   1.771   4.552
  292    HG   LEU  41           HG       LEU  41  -0.094   0.751   3.918
  293   HD11  LEU  41          HD11      LEU  41  -1.440  -0.376   5.614
  294   HD12  LEU  41          HD12      LEU  41  -0.097  -0.320   6.742
  295   HD13  LEU  41          HD13      LEU  41   0.025  -1.292   5.275
  296   HD21  LEU  41          HD21      LEU  41   0.006   2.945   4.968
  297   HD22  LEU  41          HD22      LEU  41  -0.090   2.181   6.558
  298   HD23  LEU  41          HD23      LEU  41  -1.447   2.065   5.441
  299    H    MET  42           HN       MET  42   1.345  -1.914   2.842
  300    HA   MET  42           HA       MET  42   2.614  -2.355   0.647
  301    HB2  MET  42           HB2      MET  42   0.427  -3.231   1.027
  302    HB3  MET  42           HB1      MET  42  -0.294  -1.674   0.643
  303    HG2  MET  42           HG2      MET  42  -0.504  -3.253  -1.206
  304    HG3  MET  42           HG1      MET  42   0.474  -1.867  -1.666
  305    HE1  MET  42           HE1      MET  42   0.423  -4.312  -3.440
  306    HE2  MET  42           HE2      MET  42   2.112  -4.728  -3.705
  307    HE3  MET  42           HE3      MET  42   1.606  -3.038  -3.759
  308    H    LEU  43           HN       LEU  43   3.681  -1.492  -0.859
  309    HA   LEU  43           HA       LEU  43   3.029   1.170  -1.956
  310    HB2  LEU  43           HB2      LEU  43   5.706  -0.250  -1.761
  311    HB3  LEU  43           HB1      LEU  43   5.443   1.176  -2.726
  312    HG   LEU  43           HG       LEU  43   6.547   1.907  -0.823
  313   HD11  LEU  43          HD11      LEU  43   3.659   2.454  -0.333
  314   HD12  LEU  43          HD12      LEU  43   4.752   3.300  -1.432
  315   HD13  LEU  43          HD13      LEU  43   5.028   3.371   0.307
  316   HD21  LEU  43          HD21      LEU  43   6.305  -0.040   0.601
  317   HD22  LEU  43          HD22      LEU  43   4.611   0.365   0.889
  318   HD23  LEU  43          HD23      LEU  43   5.886   1.433   1.476
  319    H    ILE  44           HN       ILE  44   1.970   0.815  -3.762
  320    HA   ILE  44           HA       ILE  44   2.411  -1.612  -5.340
  321    HB   ILE  44           HB       ILE  44   0.374   0.578  -5.761
  322   HG12  ILE  44          HG12      ILE  44  -0.046  -1.967  -4.189
  323   HG13  ILE  44          HG11      ILE  44   0.315  -0.419  -3.432
  324   HG21  ILE  44          HG21      ILE  44  -0.882  -1.148  -6.930
  325   HG22  ILE  44          HG22      ILE  44   0.352  -2.339  -6.537
  326   HG23  ILE  44          HG23      ILE  44   0.733  -1.007  -7.632
  327   HD11  ILE  44          HD11      ILE  44  -2.047  -0.952  -3.394
  328   HD12  ILE  44          HD12      ILE  44  -2.025  -1.069  -5.156
  329   HD13  ILE  44          HD13      ILE  44  -1.744   0.491  -4.371
  330    H    GLN  45           HN       GLN  45   3.594  -1.510  -7.213
  331    HA   GLN  45           HA       GLN  45   4.024   1.177  -8.324
  332    HB2  GLN  45           HB2      GLN  45   6.109   0.120  -7.656
  333    HB3  GLN  45           HB1      GLN  45   5.738  -1.300  -8.621
  334    HG2  GLN  45           HG2      GLN  45   5.953  -0.030 -10.664
  335    HG3  GLN  45           HG1      GLN  45   6.150   1.463  -9.756
  336   HE21  GLN  45          HE21      GLN  45   7.684  -1.530  -8.793
  337   HE22  GLN  45          HE22      GLN  45   9.285  -1.038  -9.146
  338    H    ASP  46           HN       ASP  46   2.626  -1.901  -9.058
  339    HA   ASP  46           HA       ASP  46   2.113  -0.975 -11.804
  340    HB2  ASP  46           HB2      ASP  46   4.102  -2.521 -11.763
  341    HB3  ASP  46           HB1      ASP  46   3.039  -3.783 -11.159
  342    H    GLN  47           HN       GLN  47   0.460  -2.408 -12.887
  343    HA   GLN  47           HA       GLN  47  -1.923  -2.529 -11.325
  344    HB2  GLN  47           HB2      GLN  47  -1.428  -2.118 -13.928
  345    HB3  GLN  47           HB1      GLN  47  -1.658  -3.853 -13.996
  346    HG2  GLN  47           HG2      GLN  47  -3.669  -1.753 -13.186
  347    HG3  GLN  47           HG1      GLN  47  -3.711  -2.796 -14.598
  348   HE21  GLN  47          HE21      GLN  47  -4.374  -2.473 -11.260
  349   HE22  GLN  47          HE22      GLN  47  -5.186  -3.979 -11.043
  350    H    GLU  48           HN       GLU  48   0.431  -4.863 -12.635
  351    HA   GLU  48           HA       GLU  48  -0.971  -7.234 -12.167
  352    HB2  GLU  48           HB2      GLU  48   1.111  -8.416 -12.373
  353    HB3  GLU  48           HB1      GLU  48   1.126  -7.092 -13.527
  354    HG2  GLU  48           HG2      GLU  48   2.693  -5.886 -12.306
  355    HG3  GLU  48           HG1      GLU  48   2.378  -6.795 -10.832
  356    H    GLU  49           HN       GLU  49   0.753  -5.159 -10.071
  357    HA   GLU  49           HA       GLU  49   1.241  -6.938  -7.958
  358    HB2  GLU  49           HB2      GLU  49   0.731  -3.977  -7.860
  359    HB3  GLU  49           HB1      GLU  49   1.517  -4.894  -6.585
  360    HG2  GLU  49           HG2      GLU  49   2.914  -5.433  -8.981
  361    HG3  GLU  49           HG1      GLU  49   2.615  -3.710  -8.949
  362    H    LEU  50           HN       LEU  50  -1.359  -4.581  -8.500
  363    HA   LEU  50           HA       LEU  50  -2.771  -5.553  -6.274
  364    HB2  LEU  50           HB2      LEU  50  -3.685  -3.720  -8.456
  365    HB3  LEU  50           HB1      LEU  50  -4.739  -4.324  -7.181
  366    HG   LEU  50           HG       LEU  50  -2.249  -2.708  -6.722
  367   HD11  LEU  50          HD11      LEU  50  -5.161  -1.967  -6.487
  368   HD12  LEU  50          HD12      LEU  50  -4.069  -1.410  -7.754
  369   HD13  LEU  50          HD13      LEU  50  -3.806  -0.920  -6.083
  370   HD21  LEU  50          HD21      LEU  50  -3.202  -2.596  -4.387
  371   HD22  LEU  50          HD22      LEU  50  -2.594  -4.161  -4.866
  372   HD23  LEU  50          HD23      LEU  50  -4.331  -3.868  -4.867
  373    H    ARG  51           HN       ARG  51  -2.794  -6.523  -9.589
  374    HA   ARG  51           HA       ARG  51  -5.224  -7.950  -9.409
  375    HB2  ARG  51           HB2      ARG  51  -4.748  -8.833 -11.486
  376    HB3  ARG  51           HB1      ARG  51  -3.719  -7.401 -11.440
  377    HG2  ARG  51           HG2      ARG  51  -1.812  -8.732 -10.907
  378    HG3  ARG  51           HG1      ARG  51  -2.809 -10.187 -10.897
  379    HD2  ARG  51           HD2      ARG  51  -3.393  -9.878 -13.156
  380    HD3  ARG  51           HD1      ARG  51  -2.575  -8.309 -13.143
  381    HE   ARG  51           HE       ARG  51  -0.945 -10.606 -12.483
  382   HH11  ARG  51          HH11      ARG  51  -1.908  -8.378 -15.065
  383   HH12  ARG  51          HH12      ARG  51  -0.579  -8.696 -16.053
  384   HH21  ARG  51          HH21      ARG  51   0.952 -11.008 -13.813
  385   HH22  ARG  51          HH22      ARG  51   1.105 -10.238 -15.313
  386    H    PHE  52           HN       PHE  52  -1.919  -8.661  -8.490
  387    HA   PHE  52           HA       PHE  52  -2.335 -11.390  -7.781
  388    HB2  PHE  52           HB2      PHE  52  -0.097 -10.420  -8.344
  389    HB3  PHE  52           HB1      PHE  52  -0.187  -9.426  -6.901
  390    HD1  PHE  52           HD1      PHE  52   0.116 -10.433  -4.682
  391    HD2  PHE  52           HD2      PHE  52   0.428 -12.760  -8.232
  392    HE1  PHE  52           HE1      PHE  52   1.232 -12.209  -3.412
  393    HE2  PHE  52           HE2      PHE  52   1.543 -14.548  -6.965
  394    HZ   PHE  52           HZ       PHE  52   1.947 -14.275  -4.548
  395    H    LEU  53           HN       LEU  53  -2.581  -8.250  -6.228
  396    HA   LEU  53           HA       LEU  53  -2.930  -9.201  -3.595
  397    HB2  LEU  53           HB2      LEU  53  -3.739  -6.563  -4.872
  398    HB3  LEU  53           HB1      LEU  53  -4.437  -7.020  -3.382
  399    HG   LEU  53           HG       LEU  53  -2.609  -5.527  -2.972
  400   HD11  LEU  53          HD11      LEU  53  -1.888  -8.290  -2.073
  401   HD12  LEU  53          HD12      LEU  53  -3.062  -7.213  -1.313
  402   HD13  LEU  53          HD13      LEU  53  -1.347  -6.763  -1.374
  403   HD21  LEU  53          HD21      LEU  53  -1.186  -5.941  -4.875
  404   HD22  LEU  53          HD22      LEU  53  -0.861  -7.575  -4.301
  405   HD23  LEU  53          HD23      LEU  53  -0.286  -6.185  -3.378
  406    H    LEU  54           HN       LEU  54  -5.202  -8.445  -6.120
  407    HA   LEU  54           HA       LEU  54  -7.519  -9.068  -4.736
  408    HB2  LEU  54           HB2      LEU  54  -7.030  -9.469  -7.678
  409    HB3  LEU  54           HB1      LEU  54  -8.597  -9.329  -6.905
  410    HG   LEU  54           HG       LEU  54  -6.505  -7.197  -7.222
  411   HD11  LEU  54          HD11      LEU  54  -9.289  -7.405  -8.304
  412   HD12  LEU  54          HD12      LEU  54  -7.780  -7.556  -9.203
  413   HD13  LEU  54          HD13      LEU  54  -8.221  -6.013  -8.474
  414   HD21  LEU  54          HD21      LEU  54  -7.424  -6.935  -5.038
  415   HD22  LEU  54          HD22      LEU  54  -9.078  -7.061  -5.645
  416   HD23  LEU  54          HD23      LEU  54  -8.076  -5.667  -6.076
  417    H    ASP  55           HN       ASP  55  -5.305 -11.241  -6.377
  418    HA   ASP  55           HA       ASP  55  -6.901 -13.572  -6.134
  419    HB2  ASP  55           HB2      ASP  55  -3.891 -13.311  -6.242
  420    HB3  ASP  55           HB1      ASP  55  -4.720 -14.854  -6.254
  421    H    SER  56           HN       SER  56  -4.464 -12.149  -4.029
  422    HA   SER  56           HA       SER  56  -4.698 -14.214  -2.049
  423    HB2  SER  56           HB2      SER  56  -3.211 -12.698  -0.686
  424    HB3  SER  56           HB1      SER  56  -2.565 -13.165  -2.257
  425    HG   SER  56           HG       SER  56  -3.927 -10.903  -2.607
  426    H    ILE  57           HN       ILE  57  -6.203 -11.150  -2.579
  427    HA   ILE  57           HA       ILE  57  -7.318 -10.718  -0.019
  428    HB   ILE  57           HB       ILE  57  -8.297  -9.853  -2.759
  429   HG12  ILE  57          HG12      ILE  57  -6.131  -8.877  -2.243
  430   HG13  ILE  57          HG11      ILE  57  -7.378  -7.642  -2.219
  431   HG21  ILE  57          HG21      ILE  57  -9.223  -8.914  -0.075
  432   HG22  ILE  57          HG22      ILE  57 -10.142  -9.803  -1.298
  433   HG23  ILE  57          HG23      ILE  57  -9.612  -8.148  -1.616
  434   HD11  ILE  57          HD11      ILE  57  -6.120  -8.950   0.170
  435   HD12  ILE  57          HD12      ILE  57  -7.370  -7.705   0.217
  436   HD13  ILE  57          HD13      ILE  57  -5.775  -7.337  -0.441
  437    H    LYS  58           HN       LYS  58  -8.704 -12.046  -3.005
  438    HA   LYS  58           HA       LYS  58 -10.319 -13.472  -3.504
  439    HB2  LYS  58           HB2      LYS  58  -9.160 -15.121  -2.191
  440    HB3  LYS  58           HB1      LYS  58  -9.850 -14.497  -0.703
  441    HG2  LYS  58           HG2      LYS  58 -10.912 -16.600  -1.388
  442    HG3  LYS  58           HG1      LYS  58 -12.063 -15.263  -1.379
  443    HD2  LYS  58           HD2      LYS  58 -11.889 -15.051  -3.758
  444    HD3  LYS  58           HD1      LYS  58 -10.661 -16.328  -3.839
  445    HE2  LYS  58           HE2      LYS  58 -13.544 -16.604  -2.970
  446    HE3  LYS  58           HE1      LYS  58 -12.854 -17.186  -4.480
  447    HZ1  LYS  58           HZ1      LYS  58 -11.413 -18.666  -3.143
  448    HZ2  LYS  58           HZ2      LYS  58 -13.058 -18.980  -2.970
  449    HZ3  LYS  58           HZ3      LYS  58 -12.240 -18.175  -1.748
  450    H    GLU  59           HN       GLU  59 -11.082 -12.526  -0.188
  451    HA   GLU  59           HA       GLU  59 -13.860 -12.734  -0.567
  452    HB2  GLU  59           HB2      GLU  59 -12.369 -11.213   1.565
  453    HB3  GLU  59           HB1      GLU  59 -14.080 -11.609   1.611
  454    HG2  GLU  59           HG2      GLU  59 -13.494 -14.001   1.563
  455    HG3  GLU  59           HG1      GLU  59 -11.790 -13.554   1.615
  456    H    LYS  60           HN       LYS  60 -11.686  -9.992  -0.612
  457    HA   LYS  60           HA       LYS  60 -11.692  -8.034  -1.734
  458    HB2  LYS  60           HB2      LYS  60 -14.246  -8.972  -3.016
  459    HB3  LYS  60           HB1      LYS  60 -13.282  -7.595  -3.514
  460    HG2  LYS  60           HG2      LYS  60 -11.434  -9.069  -4.076
  461    HG3  LYS  60           HG1      LYS  60 -12.394 -10.458  -3.547
  462    HD2  LYS  60           HD2      LYS  60 -14.082  -9.924  -5.223
  463    HD3  LYS  60           HD1      LYS  60 -13.110  -8.558  -5.769
  464    HE2  LYS  60           HE2      LYS  60 -11.297 -10.120  -6.334
  465    HE3  LYS  60           HE1      LYS  60 -12.336 -11.464  -5.857
  466    HZ1  LYS  60           HZ1      LYS  60 -13.884 -10.853  -7.581
  467    HZ2  LYS  60           HZ2      LYS  60 -12.341 -11.026  -8.271
  468    HZ3  LYS  60           HZ3      LYS  60 -12.966  -9.491  -7.953
  469    H    TYR  61           HN       TYR  61 -14.892  -8.751  -0.476
  470    HA   TYR  61           HA       TYR  61 -15.833  -6.095  -0.558
  471    HB2  TYR  61           HB2      TYR  61 -16.961  -8.401   1.017
  472    HB3  TYR  61           HB1      TYR  61 -17.802  -6.908   0.604
  473    HD1  TYR  61           HD1      TYR  61 -17.757  -6.334  -1.973
  474    HD2  TYR  61           HD2      TYR  61 -17.279 -10.208  -0.355
  475    HE1  TYR  61           HE1      TYR  61 -18.412  -7.305  -4.150
  476    HE2  TYR  61           HE2      TYR  61 -17.934 -11.214  -2.515
  477    HH   TYR  61           HH       TYR  61 -19.113 -10.634  -4.483
  478    H    ASN  62           HN       ASN  62 -13.614  -7.176   1.496
  479    HA   ASN  62           HA       ASN  62 -14.469  -5.615   3.820
  480    HB2  ASN  62           HB2      ASN  62 -11.726  -6.816   3.253
  481    HB3  ASN  62           HB1      ASN  62 -12.169  -6.002   4.733
  482   HD21  ASN  62          HD21      ASN  62 -12.065  -8.961   3.061
  483   HD22  ASN  62          HD22      ASN  62 -12.824  -9.881   4.313
  484    H    SER  63           HN       SER  63 -11.969  -4.306   4.420
  485    HA   SER  63           HA       SER  63 -11.476  -2.533   2.176
  486    HB2  SER  63           HB2      SER  63 -12.221  -1.533   4.956
  487    HB3  SER  63           HB1      SER  63 -11.845  -0.540   3.552
  488    HG   SER  63           HG       SER  63 -14.098  -0.771   4.037
  489    H    PHE  64           HN       PHE  64  -9.280  -2.657   2.006
  490    HA   PHE  64           HA       PHE  64  -7.693  -3.018   4.506
  491    HB2  PHE  64           HB2      PHE  64  -6.666  -3.944   1.848
  492    HB3  PHE  64           HB1      PHE  64  -6.274  -4.508   3.462
  493    HD1  PHE  64           HD1      PHE  64  -7.844  -6.052   4.634
  494    HD2  PHE  64           HD2      PHE  64  -8.378  -4.894   0.596
  495    HE1  PHE  64           HE1      PHE  64  -9.391  -7.925   4.285
  496    HE2  PHE  64           HE2      PHE  64  -9.861  -6.693   0.204
  497    HZ   PHE  64           HZ       PHE  64 -10.415  -8.277   2.061
  498    H    TRP  65           HN       TRP  65  -6.475  -1.283   4.896
  499    HA   TRP  65           HA       TRP  65  -5.990   0.879   3.173
  500    HB2  TRP  65           HB2      TRP  65  -4.374   0.012   5.564
  501    HB3  TRP  65           HB1      TRP  65  -4.279   1.570   4.783
  502    HD1  TRP  65           HD1      TRP  65  -5.708  -0.032   7.693
  503    HE1  TRP  65           HE1      TRP  65  -7.564   1.374   8.732
  504    HE3  TRP  65           HE3      TRP  65  -6.570   3.167   3.790
  505    HZ2  TRP  65           HZ2      TRP  65  -9.182   3.546   8.004
  506    HZ3  TRP  65           HZ3      TRP  65  -8.310   4.888   4.069
  507    HH2  TRP  65           HH2      TRP  65  -9.591   5.047   6.168
  508    H    ILE  66           HN       ILE  66  -4.320   1.384   1.834
  509    HA   ILE  66           HA       ILE  66  -1.929  -0.277   1.992
  510    HB   ILE  66           HB       ILE  66  -1.350   0.238  -0.376
  511   HG12  ILE  66          HG12      ILE  66  -2.927   2.252  -0.612
  512   HG13  ILE  66          HG11      ILE  66  -2.816   1.175  -1.990
  513   HG21  ILE  66          HG21      ILE  66  -3.873  -1.339  -0.039
  514   HG22  ILE  66          HG22      ILE  66  -2.201  -1.907   0.071
  515   HG23  ILE  66          HG23      ILE  66  -2.843  -1.366  -1.472
  516   HD11  ILE  66          HD11      ILE  66  -5.110   1.894  -1.587
  517   HD12  ILE  66          HD12      ILE  66  -5.051   1.203   0.034
  518   HD13  ILE  66          HD13      ILE  66  -4.945   0.153  -1.378
  519    H    GLY  67           HN       GLY  67  -0.004   1.226   0.821
  520    HA2  GLY  67           HA2      GLY  67   0.174   3.289   2.805
  521    HA3  GLY  67           HA1      GLY  67   1.407   2.831   1.648
  522    H    LEU  68           HN       LEU  68  -1.872   4.038   1.234
  523    HA   LEU  68           HA       LEU  68  -0.827   6.234  -0.390
  524    HB2  LEU  68           HB2      LEU  68  -3.319   4.622  -0.588
  525    HB3  LEU  68           HB1      LEU  68  -3.291   6.256  -1.215
  526    HG   LEU  68           HG       LEU  68  -1.373   4.100  -2.081
  527   HD11  LEU  68          HD11      LEU  68  -2.752   3.966  -4.089
  528   HD12  LEU  68          HD12      LEU  68  -3.890   5.122  -3.394
  529   HD13  LEU  68          HD13      LEU  68  -3.693   3.532  -2.664
  530   HD21  LEU  68          HD21      LEU  68  -0.908   5.650  -3.892
  531   HD22  LEU  68          HD22      LEU  68  -0.586   6.427  -2.349
  532   HD23  LEU  68          HD23      LEU  68  -2.064   6.802  -3.237
  533    H    ARG  69           HN       ARG  69  -0.960   8.120   0.513
  534    HA   ARG  69           HA       ARG  69  -3.223   8.700   2.270
  535    HB2  ARG  69           HB2      ARG  69  -1.693  10.120   3.611
  536    HB3  ARG  69           HB1      ARG  69  -1.310   8.400   3.665
  537    HG2  ARG  69           HG2      ARG  69   0.503   8.765   2.029
  538    HG3  ARG  69           HG1      ARG  69   0.103  10.474   1.967
  539    HD2  ARG  69           HD2      ARG  69   0.713  10.685   4.337
  540    HD3  ARG  69           HD1      ARG  69   1.117   8.966   4.377
  541    HE   ARG  69           HE       ARG  69   2.469  10.600   2.396
  542   HH11  ARG  69          HH11      ARG  69   2.701   9.048   5.578
  543   HH12  ARG  69          HH12      ARG  69   4.392   9.034   5.621
  544   HH21  ARG  69          HH21      ARG  69   4.857  10.639   2.487
  545   HH22  ARG  69          HH22      ARG  69   5.639   9.975   3.835
  546    H    TYR  70           HN       TYR  70  -4.224  10.579   1.823
  547    HA   TYR  70           HA       TYR  70  -3.251  12.082  -0.468
  548    HB2  TYR  70           HB2      TYR  70  -5.658  11.320  -0.157
  549    HB3  TYR  70           HB1      TYR  70  -5.748  12.406   1.207
  550    HD1  TYR  70           HD2      TYR  70  -4.502  12.794  -2.326
  551    HD2  TYR  70           HD1      TYR  70  -7.104  14.150   0.740
  552    HE1  TYR  70           HE2      TYR  70  -5.370  14.549  -3.832
  553    HE2  TYR  70           HE1      TYR  70  -7.976  15.867  -0.749
  554    HH   TYR  70           HH       TYR  70  -7.285  17.148  -2.791
  555    H    THR  71           HN       THR  71  -1.836  13.650  -0.014
  556    HA   THR  71           HA       THR  71  -1.682  14.658   2.682
  557    HB   THR  71           HB       THR  71   0.447  15.743   1.566
  558    HG1  THR  71           HG1      THR  71   0.311  15.182  -0.585
  559   HG21  THR  71          HG21      THR  71   0.493  14.020   3.317
  560   HG22  THR  71          HG22      THR  71   1.704  13.681   2.081
  561   HG23  THR  71          HG23      THR  71   0.189  12.774   2.106
  562    H    LEU  72           HN       LEU  72  -2.766  16.468   3.188
  563    HA   LEU  72           HA       LEU  72  -2.784  18.564   1.162
  564    HB2  LEU  72           HB2      LEU  72  -4.890  18.079   3.265
  565    HB3  LEU  72           HB1      LEU  72  -4.864  19.424   2.152
  566    HG   LEU  72           HG       LEU  72  -5.342  16.520   1.481
  567   HD11  LEU  72          HD11      LEU  72  -6.926  18.960   0.959
  568   HD12  LEU  72          HD12      LEU  72  -7.190  17.961   2.406
  569   HD13  LEU  72          HD13      LEU  72  -7.475  17.291   0.781
  570   HD21  LEU  72          HD21      LEU  72  -5.024  18.878  -0.349
  571   HD22  LEU  72          HD22      LEU  72  -5.596  17.279  -0.818
  572   HD23  LEU  72          HD23      LEU  72  -3.943  17.487  -0.241
  573    HA   PRO  73           HA       PRO  73  -3.073  20.514   0.949
  574    HB2  PRO  73           HB2      PRO  73  -1.380  22.820   0.934
  575    HB3  PRO  73           HB1      PRO  73  -3.137  22.752   1.201
  576    HG2  PRO  73           HG2      PRO  73  -1.303  23.494   3.113
  577    HG3  PRO  73           HG1      PRO  73  -2.960  22.944   3.422
  578    HD2  PRO  73           HD2      PRO  73  -0.408  21.420   3.624
  579    HD3  PRO  73           HD1      PRO  73  -1.861  21.331   4.637
  580    H    ASP  74           HN       ASP  74  -2.217  19.892  -0.869
  581    HA   ASP  74           HA       ASP  74   0.321  19.987  -1.897
  582    HB2  ASP  74           HB2      ASP  74   1.136  18.554  -0.080
  583    HB3  ASP  74           HB1      ASP  74  -0.209  17.450  -0.300
  584    H    MET  75           HN       MET  75  -2.343  17.794  -1.284
  585    HA   MET  75           HA       MET  75  -4.067  17.096  -2.492
  586    HB2  MET  75           HB2      MET  75  -3.154  19.225  -4.371
  587    HB3  MET  75           HB1      MET  75  -4.415  18.100  -4.855
  588    HG2  MET  75           HG2      MET  75  -5.805  18.745  -3.096
  589    HG3  MET  75           HG1      MET  75  -4.620  19.734  -2.302
  590    HE1  MET  75           HE1      MET  75  -6.826  20.669  -6.255
  591    HE2  MET  75           HE2      MET  75  -7.160  19.295  -5.203
  592    HE3  MET  75           HE3      MET  75  -5.656  19.359  -6.126
  593    H    ASN  76           HN       ASN  76  -1.358  15.900  -2.728
  594    HA   ASN  76           HA       ASN  76  -2.108  14.275  -5.028
  595    HB2  ASN  76           HB2      ASN  76   0.622  14.797  -3.891
  596    HB3  ASN  76           HB1      ASN  76   0.290  13.439  -4.958
  597   HD21  ASN  76          HD21      ASN  76  -0.388  13.907  -7.093
  598   HD22  ASN  76          HD22      ASN  76   0.080  15.381  -7.853
  599    H    TRP  77           HN       TRP  77  -1.818  12.059  -4.842
  600    HA   TRP  77           HA       TRP  77  -2.003  11.066  -2.121
  601    HB2  TRP  77           HB2      TRP  77  -2.309   9.673  -4.786
  602    HB3  TRP  77           HB1      TRP  77  -2.453   8.885  -3.221
  603    HD1  TRP  77           HD1      TRP  77  -4.243  11.365  -5.494
  604    HE1  TRP  77           HE1      TRP  77  -6.749  11.423  -4.796
  605    HE3  TRP  77           HE3      TRP  77  -3.997   8.483  -1.297
  606    HZ2  TRP  77           HZ2      TRP  77  -8.362  10.405  -2.743
  607    HZ3  TRP  77           HZ3      TRP  77  -6.056   8.069  -0.021
  608    HH2  TRP  77           HH2      TRP  77  -8.192   9.011  -0.728
  609    H    LYS  78           HN       LYS  78  -0.133  10.834  -1.257
  610    HA   LYS  78           HA       LYS  78   2.074   9.914  -2.922
  611    HB2  LYS  78           HB2      LYS  78   2.026  11.510  -0.380
  612    HB3  LYS  78           HB1      LYS  78   3.480  10.704  -0.945
  613    HG2  LYS  78           HG2      LYS  78   3.466  11.991  -2.977
  614    HG3  LYS  78           HG1      LYS  78   1.927  12.731  -2.533
  615    HD2  LYS  78           HD2      LYS  78   2.925  13.871  -0.683
  616    HD3  LYS  78           HD1      LYS  78   4.435  12.977  -0.882
  617    HE2  LYS  78           HE2      LYS  78   4.532  15.302  -1.761
  618    HE3  LYS  78           HE1      LYS  78   4.878  14.075  -2.970
  619    HZ1  LYS  78           HZ1      LYS  78   2.651  14.313  -3.824
  620    HZ2  LYS  78           HZ2      LYS  78   3.426  15.802  -3.803
  621    HZ3  LYS  78           HZ3      LYS  78   2.258  15.466  -2.644
  622    H    TRP  79           HN       TRP  79   3.270   8.230  -2.302
  623    HA   TRP  79           HA       TRP  79   1.950   6.426  -0.464
  624    HB2  TRP  79           HB2      TRP  79   4.566   5.899  -1.919
  625    HB3  TRP  79           HB1      TRP  79   3.472   4.780  -1.153
  626    HD1  TRP  79           HD1      TRP  79   3.747   6.938  -4.276
  627    HE1  TRP  79           HE1      TRP  79   2.329   5.917  -6.101
  628    HE3  TRP  79           HE3      TRP  79   1.503   3.300  -1.511
  629    HZ2  TRP  79           HZ2      TRP  79   0.424   3.815  -6.353
  630    HZ3  TRP  79           HZ3      TRP  79  -0.120   1.829  -2.619
  631    HH2  TRP  79           HH2      TRP  79  -0.646   2.091  -4.988
  632    H    ILE  80           HN       ILE  80   3.356   5.363   1.168
  633    HA   ILE  80           HA       ILE  80   4.558   7.331   2.819
  634    HB   ILE  80           HB       ILE  80   5.210   5.522   4.336
  635   HG12  ILE  80          HG12      ILE  80   4.116   3.629   2.256
  636   HG13  ILE  80          HG11      ILE  80   5.833   3.958   2.467
  637   HG21  ILE  80          HG21      ILE  80   2.438   5.195   3.178
  638   HG22  ILE  80          HG22      ILE  80   2.922   6.357   4.414
  639   HG23  ILE  80          HG23      ILE  80   2.957   4.630   4.765
  640   HD11  ILE  80          HD11      ILE  80   5.107   1.869   3.569
  641   HD12  ILE  80          HD12      ILE  80   3.991   2.787   4.563
  642   HD13  ILE  80          HD13      ILE  80   5.728   3.037   4.725
  643    H    ASN  81           HN       ASN  81   5.867   5.467   0.284
  644    HA   ASN  81           HA       ASN  81   8.607   5.635   1.240
  645    HB2  ASN  81           HB2      ASN  81   9.247   4.421  -0.753
  646    HB3  ASN  81           HB1      ASN  81   7.808   3.650  -0.106
  647   HD21  ASN  81          HD21      ASN  81   8.796   3.430  -2.754
  648   HD22  ASN  81          HD22      ASN  81   7.602   4.058  -3.824
  649    H    GLY  82           HN       GLY  82   6.443   7.612  -0.251
  650    HA2  GLY  82           HA2      GLY  82   6.929   9.900  -0.670
  651    HA3  GLY  82           HA1      GLY  82   8.593   9.440  -0.985
  652    H    SER  83           HN       SER  83   6.523   7.358  -2.642
  653    HA   SER  83           HA       SER  83   7.215   8.691  -5.102
  654    HB2  SER  83           HB2      SER  83   7.231   6.107  -4.717
  655    HB3  SER  83           HB1      SER  83   5.471   6.281  -4.896
  656    HG   SER  83           HG       SER  83   6.224   5.844  -6.906
  657    H    THR  84           HN       THR  84   5.369   8.568  -6.812
  658    HA   THR  84           HA       THR  84   3.087   9.988  -5.701
  659    HB   THR  84           HB       THR  84   4.189   9.918  -8.538
  660    HG1  THR  84           HG1      THR  84   5.392  11.046  -6.833
  661   HG21  THR  84          HG21      THR  84   2.629  11.785  -8.971
  662   HG22  THR  84          HG22      THR  84   1.985  11.633  -7.335
  663   HG23  THR  84          HG23      THR  84   1.750  10.331  -8.501
  664    H    LEU  85           HN       LEU  85   1.102   9.212  -6.035
  665    HA   LEU  85           HA       LEU  85   0.523   6.560  -6.356
  666    HB2  LEU  85           HB2      LEU  85  -1.073   7.958  -5.363
  667    HB3  LEU  85           HB1      LEU  85  -1.187   8.979  -6.782
  668    HG   LEU  85           HG       LEU  85  -2.221   7.083  -8.010
  669   HD11  LEU  85          HD11      LEU  85  -2.440   5.732  -5.339
  670   HD12  LEU  85          HD12      LEU  85  -1.259   5.322  -6.573
  671   HD13  LEU  85          HD13      LEU  85  -2.968   5.120  -6.918
  672   HD21  LEU  85          HD21      LEU  85  -4.401   7.255  -6.932
  673   HD22  LEU  85          HD22      LEU  85  -3.594   8.822  -7.011
  674   HD23  LEU  85          HD23      LEU  85  -3.638   7.924  -5.494
  675    H    ASN  86           HN       ASN  86   0.312   5.190  -7.928
  676    HA   ASN  86           HA       ASN  86   0.192   6.039 -10.706
  677    HB2  ASN  86           HB2      ASN  86   1.638   4.073  -9.955
  678    HB3  ASN  86           HB1      ASN  86   0.159   3.234  -9.529
  679   HD21  ASN  86          HD21      ASN  86   2.181   2.416 -11.367
  680   HD22  ASN  86          HD22      ASN  86   1.448   2.276 -12.914
  681    H    SER  87           HN       SER  87  -1.901   7.021 -10.482
  682    HA   SER  87           HA       SER  87  -4.096   5.573  -9.423
  683    HB2  SER  87           HB2      SER  87  -5.392   7.519 -10.443
  684    HB3  SER  87           HB1      SER  87  -4.183   7.925  -9.227
  685    HG   SER  87           HG       SER  87  -4.215   8.399 -11.952
  686    H    ASP  88           HN       ASP  88  -2.454   5.395 -12.278
  687    HA   ASP  88           HA       ASP  88  -4.656   4.879 -14.016
  688    HB2  ASP  88           HB2      ASP  88  -1.697   4.532 -14.392
  689    HB3  ASP  88           HB1      ASP  88  -2.884   4.139 -15.630
  690    H    VAL  89           HN       VAL  89  -3.351   2.994 -11.597
  691    HA   VAL  89           HA       VAL  89  -3.709   0.575 -13.066
  692    HB   VAL  89           HB       VAL  89  -3.399  -0.666 -10.977
  693   HG11  VAL  89          HG11      VAL  89  -1.436  -0.032 -12.230
  694   HG12  VAL  89          HG12      VAL  89  -1.080   0.009 -10.504
  695   HG13  VAL  89          HG13      VAL  89  -1.358   1.512 -11.384
  696   HG21  VAL  89          HG21      VAL  89  -3.191   2.029  -9.616
  697   HG22  VAL  89          HG22      VAL  89  -2.795   0.470  -8.883
  698   HG23  VAL  89          HG23      VAL  89  -4.452   0.812  -9.378
  699    H    LEU  90           HN       LEU  90  -5.649   2.358 -10.673
  700    HA   LEU  90           HA       LEU  90  -8.060   1.056 -11.552
  701    HB2  LEU  90           HB2      LEU  90  -7.029   0.708  -8.736
  702    HB3  LEU  90           HB1      LEU  90  -8.676   0.340  -9.219
  703    HG   LEU  90           HG       LEU  90  -6.209  -1.040 -10.266
  704   HD11  LEU  90          HD11      LEU  90  -6.915  -2.936  -8.868
  705   HD12  LEU  90          HD12      LEU  90  -8.249  -1.971  -8.231
  706   HD13  LEU  90          HD13      LEU  90  -6.579  -1.507  -7.893
  707   HD21  LEU  90          HD21      LEU  90  -9.143  -1.698 -10.580
  708   HD22  LEU  90          HD22      LEU  90  -7.800  -2.705 -11.130
  709   HD23  LEU  90          HD23      LEU  90  -8.051  -1.113 -11.839
  710    H    LYS  91           HN       LYS  91  -9.885   1.931  -9.897
  711    HA   LYS  91           HA       LYS  91  -9.787   4.704 -10.300
  712    HB2  LYS  91           HB2      LYS  91 -11.873   4.869  -9.096
  713    HB3  LYS  91           HB1      LYS  91 -11.943   3.732 -10.459
  714    HG2  LYS  91           HG2      LYS  91 -11.997   1.891  -8.919
  715    HG3  LYS  91           HG1      LYS  91 -11.595   2.944  -7.560
  716    HD2  LYS  91           HD2      LYS  91 -13.740   4.131  -7.892
  717    HD3  LYS  91           HD1      LYS  91 -14.144   2.999  -9.184
  718    HE2  LYS  91           HE2      LYS  91 -14.096   1.161  -7.613
  719    HE3  LYS  91           HE1      LYS  91 -13.584   2.238  -6.317
  720    HZ1  LYS  91           HZ1      LYS  91 -15.962   1.738  -6.256
  721    HZ2  LYS  91           HZ2      LYS  91 -16.158   2.443  -7.779
  722    HZ3  LYS  91           HZ3      LYS  91 -15.650   3.379  -6.466
  723    H    ILE  92           HN       ILE  92  -8.818   6.167  -9.220
  724    HA   ILE  92           HA       ILE  92  -9.325   6.450  -6.384
  725    HB   ILE  92           HB       ILE  92  -6.502   6.832  -7.448
  726   HG12  ILE  92          HG12      ILE  92  -7.749   4.450  -6.081
  727   HG13  ILE  92          HG11      ILE  92  -6.868   4.511  -7.565
  728   HG21  ILE  92          HG21      ILE  92  -7.641   6.749  -4.641
  729   HG22  ILE  92          HG22      ILE  92  -7.137   8.199  -5.513
  730   HG23  ILE  92          HG23      ILE  92  -5.942   6.989  -5.049
  731   HD11  ILE  92          HD11      ILE  92  -5.479   3.489  -5.858
  732   HD12  ILE  92          HD12      ILE  92  -5.622   4.949  -4.874
  733   HD13  ILE  92          HD13      ILE  92  -4.797   5.013  -6.431
  734    H    THR  93           HN       THR  93 -10.247   8.414  -6.398
  735    HA   THR  93           HA       THR  93  -9.980  10.267  -8.522
  736    HB   THR  93           HB       THR  93 -10.921  10.919  -5.750
  737    HG1  THR  93           HG1      THR  93 -11.981   9.179  -7.693
  738   HG21  THR  93          HG21      THR  93 -12.536  12.303  -6.992
  739   HG22  THR  93          HG22      THR  93 -11.832  11.742  -8.510
  740   HG23  THR  93          HG23      THR  93 -10.872  12.715  -7.399
  741    H    GLY  94           HN       GLY  94  -8.485  11.966  -8.717
  742    HA2  GLY  94           HA2      GLY  94  -6.339  11.840  -6.849
  743    HA3  GLY  94           HA1      GLY  94  -6.360  12.746  -8.374
  744    H    ASP  95           HN       ASP  95  -8.951  13.892  -7.756
  745    HA   ASP  95           HA       ASP  95  -8.022  15.610  -5.678
  746    HB2  ASP  95           HB2      ASP  95  -9.341  17.481  -6.609
  747    HB3  ASP  95           HB1      ASP  95  -8.215  16.820  -7.784
  748    H    THR  96           HN       THR  96  -9.114  15.456  -3.863
  749    HA   THR  96           HA       THR  96 -11.973  14.964  -4.031
  750    HB   THR  96           HB       THR  96 -10.877  12.717  -3.884
  751    HG1  THR  96           HG1      THR  96 -12.303  12.971  -1.466
  752   HG21  THR  96          HG21      THR  96  -8.979  13.246  -2.450
  753   HG22  THR  96          HG22      THR  96  -9.958  11.988  -1.685
  754   HG23  THR  96          HG23      THR  96 -10.064  13.656  -1.126
  755    H    GLU  97           HN       GLU  97  -9.276  16.335  -2.405
  756    HA   GLU  97           HA       GLU  97  -8.967  17.508  -0.570
  757    HB2  GLU  97           HB2      GLU  97 -11.666  18.554  -1.381
  758    HB3  GLU  97           HB1      GLU  97 -10.617  19.328  -0.195
  759    HG2  GLU  97           HG2      GLU  97  -9.993  18.832  -3.093
  760    HG3  GLU  97           HG1      GLU  97 -10.306  20.391  -2.327
  761    H    ASN  98           HN       ASN  98  -9.032  15.475   0.598
  762    HA   ASN  98           HA       ASN  98 -11.024  15.580   2.708
  763    HB2  ASN  98           HB2      ASN  98 -10.427  13.141   1.034
  764    HB3  ASN  98           HB1      ASN  98 -11.196  13.074   2.603
  765   HD21  ASN  98          HD21      ASN  98 -12.879  15.451   2.129
  766   HD22  ASN  98          HD22      ASN  98 -14.062  14.917   1.011
  767    H    ASP  99           HN       ASP  99 -10.451  14.168   4.414
  768    HA   ASP  99           HA       ASP  99  -7.626  14.015   5.101
  769    HB2  ASP  99           HB2      ASP  99  -9.306  14.980   6.662
  770    HB3  ASP  99           HB1      ASP  99 -10.207  13.479   6.622
  771    H    SER 100           HN       SER 100  -8.655  12.396   3.053
  772    HA   SER 100           HA       SER 100  -9.276   9.751   4.054
  773    HB2  SER 100           HB2      SER 100 -10.691  10.866   2.346
  774    HB3  SER 100           HB1      SER 100  -9.323  10.846   1.246
  775    HG   SER 100           HG       SER 100 -10.130   8.452   2.432
  776    H    CYS 101           HN       CYS 101  -8.251   7.926   3.443
  777    HA   CYS 101           HA       CYS 101  -5.690   7.995   2.041
  778    HB2  CYS 101           HB2      CYS 101  -6.420   6.566   4.623
  779    HB3  CYS 101           HB1      CYS 101  -5.057   6.080   3.626
  780    H    ALA 102           HN       ALA 102  -5.412   5.867   0.878
  781    HA   ALA 102           HA       ALA 102  -8.081   4.963   0.158
  782    HB1  ALA 102           HB1      ALA 102  -5.537   4.515  -1.425
  783    HB2  ALA 102           HB2      ALA 102  -6.697   5.828  -1.682
  784    HB3  ALA 102           HB3      ALA 102  -7.186   4.183  -1.959
  785    H    ALA 103           HN       ALA 103  -8.665   2.835  -0.204
  786    HA   ALA 103           HA       ALA 103  -7.104   0.720   1.058
  787    HB1  ALA 103           HB1      ALA 103  -8.506   1.626   2.870
  788    HB2  ALA 103           HB2      ALA 103  -9.053   0.013   2.410
  789    HB3  ALA 103           HB3      ALA 103  -9.938   1.429   1.862
  790    H    ILE 104           HN       ILE 104  -7.660  -1.290   0.322
  791    HA   ILE 104           HA       ILE 104  -8.981  -1.603  -2.269
  792    HB   ILE 104           HB       ILE 104  -7.712  -3.457  -0.270
  793   HG12  ILE 104          HG12      ILE 104  -6.197  -1.989  -1.634
  794   HG13  ILE 104          HG11      ILE 104  -5.865  -3.712  -1.745
  795   HG21  ILE 104          HG21      ILE 104  -7.895  -5.308  -1.941
  796   HG22  ILE 104          HG22      ILE 104  -8.865  -4.250  -2.965
  797   HG23  ILE 104          HG23      ILE 104  -9.469  -4.741  -1.387
  798   HD11  ILE 104          HD11      ILE 104  -7.359  -2.082  -3.787
  799   HD12  ILE 104          HD12      ILE 104  -6.983  -3.817  -3.851
  800   HD13  ILE 104          HD13      ILE 104  -5.675  -2.640  -3.902
  801    H    SER 105           HN       SER 105 -11.024  -1.935  -2.543
  802    HA   SER 105           HA       SER 105 -12.421  -3.640  -0.735
  803    HB2  SER 105           HB2      SER 105 -12.761  -1.258   0.136
  804    HB3  SER 105           HB1      SER 105 -13.610  -0.922  -1.373
  805    HG   SER 105           HG       SER 105 -14.216  -2.821   0.598
  806    H    GLY 106           HN       GLY 106 -12.577  -5.021  -2.284
  807    HA2  GLY 106           HA2      GLY 106 -14.167  -5.915  -3.916
  808    HA3  GLY 106           HA1      GLY 106 -14.211  -4.307  -4.623
  809    H    ASP 107           HN       ASP 107 -13.560  -4.954  -6.644
  810    HA   ASP 107           HA       ASP 107 -10.775  -5.894  -6.896
  811    HB2  ASP 107           HB2      ASP 107 -12.991  -5.517  -8.937
  812    HB3  ASP 107           HB1      ASP 107 -11.328  -5.802  -9.408
  813    H    LYS 108           HN       LYS 108 -11.881  -3.263  -5.978
  814    HA   LYS 108           HA       LYS 108 -10.574  -1.460  -7.915
  815    HB2  LYS 108           HB2      LYS 108 -12.908  -0.674  -6.209
  816    HB3  LYS 108           HB1      LYS 108 -12.255   0.125  -7.619
  817    HG2  LYS 108           HG2      LYS 108 -13.802  -2.451  -7.609
  818    HG3  LYS 108           HG1      LYS 108 -14.436  -0.860  -7.999
  819    HD2  LYS 108           HD2      LYS 108 -12.915  -0.726  -9.912
  820    HD3  LYS 108           HD1      LYS 108 -12.280  -2.327  -9.509
  821    HE2  LYS 108           HE2      LYS 108 -14.532  -3.275  -9.815
  822    HE3  LYS 108           HE1      LYS 108 -15.132  -1.681 -10.261
  823    HZ1  LYS 108           HZ1      LYS 108 -13.123  -3.290 -11.726
  824    HZ2  LYS 108           HZ2      LYS 108 -13.578  -1.736 -12.175
  825    HZ3  LYS 108           HZ3      LYS 108 -14.702  -2.998 -12.204
  826    H    VAL 109           HN       VAL 109 -10.084   0.649  -6.759
  827    HA   VAL 109           HA       VAL 109  -9.334   0.180  -3.981
  828    HB   VAL 109           HB       VAL 109  -8.511   2.524  -5.695
  829   HG11  VAL 109          HG11      VAL 109  -7.255   1.276  -3.260
  830   HG12  VAL 109          HG12      VAL 109  -8.190   2.767  -3.315
  831   HG13  VAL 109          HG13      VAL 109  -6.626   2.676  -4.133
  832   HG21  VAL 109          HG21      VAL 109  -6.996  -0.081  -5.470
  833   HG22  VAL 109          HG22      VAL 109  -6.412   1.402  -6.247
  834   HG23  VAL 109          HG23      VAL 109  -7.813   0.558  -6.898
  835    H    THR 110           HN       THR 110 -10.168   1.615  -2.492
  836    HA   THR 110           HA       THR 110 -11.994   3.667  -3.453
  837    HB   THR 110           HB       THR 110 -13.552   3.078  -1.596
  838    HG1  THR 110           HG1      THR 110 -11.526   1.244  -1.058
  839   HG21  THR 110          HG21      THR 110 -13.015   0.746  -3.468
  840   HG22  THR 110          HG22      THR 110 -13.996   2.148  -3.853
  841   HG23  THR 110          HG23      THR 110 -14.519   1.029  -2.594
  842    H    PHE 111           HN       PHE 111 -12.465   5.115  -1.309
  843    HA   PHE 111           HA       PHE 111 -10.166   4.973   0.393
  844    HB2  PHE 111           HB2      PHE 111  -9.847   7.516   0.202
  845    HB3  PHE 111           HB1      PHE 111  -9.214   6.501  -1.079
  846    HD1  PHE 111           HD1      PHE 111 -11.852   8.903  -0.167
  847    HD2  PHE 111           HD2      PHE 111 -10.031   6.656  -3.284
  848    HE1  PHE 111           HE1      PHE 111 -13.038  10.265  -1.839
  849    HE2  PHE 111           HE2      PHE 111 -11.196   7.989  -4.951
  850    HZ   PHE 111           HZ       PHE 111 -12.717   9.816  -4.239
  851    H    GLU 112           HN       GLU 112 -10.294   5.710   2.363
  852    HA   GLU 112           HA       GLU 112 -12.965   6.492   3.387
  853    HB2  GLU 112           HB2      GLU 112 -10.905   4.675   4.694
  854    HB3  GLU 112           HB1      GLU 112 -12.484   5.082   5.333
  855    HG2  GLU 112           HG2      GLU 112 -12.061   3.508   2.802
  856    HG3  GLU 112           HG1      GLU 112 -12.221   2.776   4.391
  857    H    SER 113           HN       SER 113 -12.599   7.598   5.619
  858    HA   SER 113           HA       SER 113 -10.448   9.509   5.626
  859    HB2  SER 113           HB2      SER 113 -12.252   8.534   7.833
  860    HB3  SER 113           HB1      SER 113 -11.355  10.062   7.819
  861    HG   SER 113           HG       SER 113 -13.737   9.386   6.663
  862    H    CYS 114           HN       CYS 114  -8.435   9.377   6.608
  863    HA   CYS 114           HA       CYS 114  -7.238   6.859   6.844
  864    HB2  CYS 114           HB2      CYS 114  -6.255   9.413   8.119
  865    HB3  CYS 114           HB1      CYS 114  -5.279   8.030   7.642
  866    H    ASN 115           HN       ASN 115  -9.147   8.428   9.114
  867    HA   ASN 115           HA       ASN 115  -7.900   7.299  11.505
  868    HB2  ASN 115           HB2      ASN 115 -10.401   8.810  11.772
  869    HB3  ASN 115           HB1      ASN 115  -8.892   8.986  12.627
  870   HD21  ASN 115          HD21      ASN 115 -10.669   9.960   9.783
  871   HD22  ASN 115          HD22      ASN 115  -9.610  11.259   9.328
  872    H    SER 116           HN       SER 116  -9.870   6.057   9.253
  873    HA   SER 116           HA       SER 116 -11.848   5.102  11.103
  874    HB2  SER 116           HB2      SER 116 -12.817   3.985   9.064
  875    HB3  SER 116           HB1      SER 116 -12.754   5.754   8.987
  876    HG   SER 116           HG       SER 116 -11.043   5.590   7.619
  877    H    ASP 117           HN       ASP 117 -12.040   3.061  11.781
  878    HA   ASP 117           HA       ASP 117  -9.704   1.423  11.803
  879    HB2  ASP 117           HB2      ASP 117 -11.261   1.697  13.752
  880    HB3  ASP 117           HB1      ASP 117 -12.495   0.866  12.814
  881    H    ASN 118           HN       ASN 118  -9.195   0.343  10.019
  882    HA   ASN 118           HA       ASN 118 -11.131  -1.453   8.751
  883    HB2  ASN 118           HB2      ASN 118  -9.437   0.558   7.229
  884    HB3  ASN 118           HB1      ASN 118 -10.174  -0.845   6.477
  885   HD21  ASN 118          HD21      ASN 118 -10.677   2.305   7.741
  886   HD22  ASN 118          HD22      ASN 118 -12.294   2.496   7.229
  887    H    ARG 119           HN       ARG 119  -9.740  -2.819   7.057
  888    HA   ARG 119           HA       ARG 119  -7.611  -3.910   8.746
  889    HB2  ARG 119           HB2      ARG 119  -8.559  -4.990   6.063
  890    HB3  ARG 119           HB1      ARG 119  -7.574  -5.786   7.240
  891    HG2  ARG 119           HG2      ARG 119  -9.692  -6.816   7.274
  892    HG3  ARG 119           HG1      ARG 119  -9.567  -5.865   8.751
  893    HD2  ARG 119           HD2      ARG 119 -11.000  -4.218   7.917
  894    HD3  ARG 119           HD1      ARG 119 -10.899  -4.829   6.269
  895    HE   ARG 119           HE       ARG 119 -11.956  -6.914   7.448
  896   HH11  ARG 119          HH11      ARG 119 -12.832  -3.504   8.073
  897   HH12  ARG 119          HH12      ARG 119 -14.456  -3.838   8.287
  898   HH21  ARG 119          HH21      ARG 119 -14.205  -7.333   7.725
  899   HH22  ARG 119          HH22      ARG 119 -15.278  -6.060   8.084
  900    H    TRP 120           HN       TRP 120  -5.659  -4.818   7.045
  901    HA   TRP 120           HA       TRP 120  -5.057  -2.644   5.252
  902    HB2  TRP 120           HB2      TRP 120  -3.163  -1.685   6.372
  903    HB3  TRP 120           HB1      TRP 120  -4.506  -1.684   7.505
  904    HD1  TRP 120           HD1      TRP 120  -1.015  -2.847   7.049
  905    HE1  TRP 120           HE1      TRP 120  -0.198  -4.110   9.081
  906    HE3  TRP 120           HE3      TRP 120  -5.460  -3.354   9.473
  907    HZ2  TRP 120           HZ2      TRP 120  -1.290  -5.223  11.454
  908    HZ3  TRP 120           HZ3      TRP 120  -5.493  -4.530  11.619
  909    HH2  TRP 120           HH2      TRP 120  -3.441  -5.450  12.595
  910    H    ILE 121           HN       ILE 121  -2.956  -2.849   4.170
  911    HA   ILE 121           HA       ILE 121  -2.068  -5.645   4.104
  912    HB   ILE 121           HB       ILE 121  -2.229  -3.686   1.791
  913   HG12  ILE 121          HG12      ILE 121  -3.732  -6.264   2.215
  914   HG13  ILE 121          HG11      ILE 121  -4.401  -4.691   2.602
  915   HG21  ILE 121          HG21      ILE 121  -1.507  -5.565   0.394
  916   HG22  ILE 121          HG22      ILE 121  -1.359  -6.586   1.823
  917   HG23  ILE 121          HG23      ILE 121  -0.288  -5.200   1.619
  918   HD11  ILE 121          HD11      ILE 121  -5.193  -5.490   0.449
  919   HD12  ILE 121          HD12      ILE 121  -3.519  -5.632  -0.112
  920   HD13  ILE 121          HD13      ILE 121  -4.195  -4.046   0.252
  921    H    CYS 122           HN       CYS 122  -0.096  -5.892   4.647
  922    HA   CYS 122           HA       CYS 122   1.795  -3.635   4.625
  923    HB2  CYS 122           HB2      CYS 122   1.968  -6.350   5.934
  924    HB3  CYS 122           HB1      CYS 122   3.226  -5.129   5.994
  925    H    GLN 123           HN       GLN 123   3.762  -3.838   3.522
  926    HA   GLN 123           HA       GLN 123   4.114  -6.319   2.039
  927    HB2  GLN 123           HB2      GLN 123   5.071  -5.143   0.174
  928    HB3  GLN 123           HB1      GLN 123   3.535  -4.353   0.503
  929    HG2  GLN 123           HG2      GLN 123   4.568  -2.448   1.374
  930    HG3  GLN 123           HG1      GLN 123   6.047  -3.332   1.720
  931   HE21  GLN 123          HE21      GLN 123   7.316  -1.931   0.751
  932   HE22  GLN 123          HE22      GLN 123   7.443  -1.686  -0.942
  933    H    LYS 124           HN       LYS 124   6.122  -7.107   2.284
  934    HA   LYS 124           HA       LYS 124   8.002  -5.345   3.702
  935    HB2  LYS 124           HB2      LYS 124   7.446  -7.660   4.780
  936    HB3  LYS 124           HB1      LYS 124   8.363  -8.350   3.443
  937    HG2  LYS 124           HG2      LYS 124  10.311  -6.994   4.095
  938    HG3  LYS 124           HG1      LYS 124   9.404  -6.368   5.462
  939    HD2  LYS 124           HD2      LYS 124  10.204  -9.207   4.970
  940    HD3  LYS 124           HD1      LYS 124  10.937  -8.142   6.177
  941    HE2  LYS 124           HE2      LYS 124   8.338  -8.117   6.977
  942    HE3  LYS 124           HE1      LYS 124   8.434  -9.689   6.146
  943    HZ1  LYS 124           HZ1      LYS 124  10.100  -8.815   8.428
  944    HZ2  LYS 124           HZ2      LYS 124  10.371 -10.226   7.570
  945    HZ3  LYS 124           HZ3      LYS 124   8.946 -10.032   8.441
  946    H    GLU 125           HN       GLU 125   9.214  -4.388   2.229
  947    HA   GLU 125           HA       GLU 125   9.260  -5.451  -0.337
  948    HB2  GLU 125           HB2      GLU 125  10.801  -3.642  -0.960
  949    HB3  GLU 125           HB1      GLU 125   9.439  -3.039  -0.039
  950    HG2  GLU 125           HG2      GLU 125  11.460  -3.609   1.813
  951    HG3  GLU 125           HG1      GLU 125  12.201  -2.823   0.415
  952    H    LEU 126           HN       LEU 126  10.360  -6.876  -1.192
  953    HA   LEU 126           HA       LEU 126  12.027  -8.402   0.515
  954    HB2  LEU 126           HB2      LEU 126  10.150  -9.178  -1.005
  955    HB3  LEU 126           HB1      LEU 126  11.205  -8.989  -2.363
  956    HG   LEU 126           HG       LEU 126  12.601 -10.740  -1.602
  957   HD11  LEU 126          HD11      LEU 126  10.727 -10.716   0.739
  958   HD12  LEU 126          HD12      LEU 126  12.451 -10.292   0.813
  959   HD13  LEU 126          HD13      LEU 126  11.946 -11.949   0.447
  960   HD21  LEU 126          HD21      LEU 126   9.676 -11.340  -1.320
  961   HD22  LEU 126          HD22      LEU 126  10.950 -12.501  -1.687
  962   HD23  LEU 126          HD23      LEU 126  10.561 -11.218  -2.838
  963    H    TYR 127           HN       TYR 127  12.257  -6.523  -2.401
  964    HA   TYR 127           HA       TYR 127  15.132  -6.725  -2.409
  965    HB2  TYR 127           HB2      TYR 127  13.117  -5.337  -4.130
  966    HB3  TYR 127           HB1      TYR 127  14.764  -4.734  -4.102
  967    HD1  TYR 127           HD2      TYR 127  13.423  -8.231  -4.100
  968    HD2  TYR 127           HD1      TYR 127  15.726  -5.274  -6.076
  969    HE1  TYR 127           HE2      TYR 127  14.072  -9.875  -5.802
  970    HE2  TYR 127           HE1      TYR 127  16.380  -6.903  -7.783
  971    HH   TYR 127           HH       TYR 127  16.579  -9.376  -7.926
  972    H    HIS 128           HN       HIS 128  15.478  -6.008  -0.340
  973    HA   HIS 128           HA       HIS 128  14.679  -3.372   0.446
  974    HB2  HIS 128           HB2      HIS 128  16.575  -5.375   1.665
  975    HB3  HIS 128           HB1      HIS 128  16.541  -3.715   2.240
  976    HD1  HIS 128           HD1      HIS 128  15.022  -6.950   2.869
  977    HD2  HIS 128           HD2      HIS 128  13.784  -2.986   3.140
  978    HE1  HIS 128           HE1      HIS 128  13.107  -6.953   4.458
  979    HE2  HIS 128           HE2      HIS 128  12.168  -4.635   4.257
  980    H    GLU 129           HN       GLU 129  15.449  -1.652  -0.419
  981    HA   GLU 129           HA       GLU 129  17.994  -1.647  -1.743
  982    HB2  GLU 129           HB2      GLU 129  15.979   0.550  -1.237
  983    HB3  GLU 129           HB1      GLU 129  17.444   0.756  -2.186
  984    HG2  GLU 129           HG2      GLU 129  15.246  -1.198  -2.843
  985    HG3  GLU 129           HG1      GLU 129  15.397   0.413  -3.544
  986    H    THR 130           HN       THR 130  19.443  -2.019  -0.181
  987    HA   THR 130           HA       THR 130  19.532  -0.258   2.117
  988    HB   THR 130           HB       THR 130  21.253  -2.664   1.461
  989    HG1  THR 130           HG1      THR 130  18.724  -2.298   2.538
  990   HG21  THR 130          HG21      THR 130  21.691  -2.668   3.881
  991   HG22  THR 130          HG22      THR 130  20.674  -1.239   4.073
  992   HG23  THR 130          HG23      THR 130  22.187  -1.131   3.173
  993    H    LEU 131           HN       LEU 131  21.586  -1.358  -0.562
  994    HA   LEU 131           HA       LEU 131  23.703   0.439  -0.025
  995    HB2  LEU 131           HB2      LEU 131  22.955  -0.958  -2.593
  996    HB3  LEU 131           HB1      LEU 131  24.463  -0.112  -2.308
  997    HG   LEU 131           HG       LEU 131  23.545  -2.610  -0.877
  998   HD11  LEU 131          HD11      LEU 131  24.161  -3.034  -3.185
  999   HD12  LEU 131          HD12      LEU 131  25.374  -3.693  -2.086
 1000   HD13  LEU 131          HD13      LEU 131  25.690  -2.187  -2.946
 1001   HD21  LEU 131          HD21      LEU 131  25.813  -2.634   0.073
 1002   HD22  LEU 131          HD22      LEU 131  24.906  -1.214   0.584
 1003   HD23  LEU 131          HD23      LEU 131  26.138  -1.066  -0.670
 1004    H    SER 132           HN       SER 132  24.074   2.457  -0.755
 1005    HA   SER 132           HA       SER 132  21.833   3.727  -2.093
 1006    HB2  SER 132           HB2      SER 132  22.540   4.641   0.099
 1007    HB3  SER 132           HB1      SER 132  24.135   4.953  -0.566
 1008    HG   SER 132           HG       SER 132  22.390   6.647  -0.513
 1009    H    ASN 133           HN       ASN 133  22.035   4.118  -4.140
 1010    HA   ASN 133           HA       ASN 133  24.693   4.104  -5.397
 1011    HB2  ASN 133           HB2      ASN 133  21.921   3.942  -6.518
 1012    HB3  ASN 133           HB1      ASN 133  23.370   3.932  -7.517
 1013   HD21  ASN 133          HD21      ASN 133  21.420   2.077  -5.312
 1014   HD22  ASN 133          HD22      ASN 133  22.199   0.567  -5.553
 1015    H    TYR 134           HN       TYR 134  23.282   6.203  -3.858
 1016    HA   TYR 134           HA       TYR 134  23.447   8.315  -5.851
 1017    HB2  TYR 134           HB2      TYR 134  21.404   7.718  -3.815
 1018    HB3  TYR 134           HB1      TYR 134  21.503   9.367  -4.510
 1019    HD1  TYR 134           HD2      TYR 134  21.521   9.154  -7.245
 1020    HD2  TYR 134           HD1      TYR 134  19.854   6.326  -4.554
 1021    HE1  TYR 134           HE2      TYR 134  20.102   8.283  -9.051
 1022    HE2  TYR 134           HE1      TYR 134  18.432   5.445  -6.348
 1023    HH   TYR 134           HH       TYR 134  17.487   6.255  -8.513
 1024    H    VAL 135           HN       VAL 135  23.184  10.443  -4.319
 1025    HA   VAL 135           HA       VAL 135  24.867  10.281  -2.019
 1026    HB   VAL 135           HB       VAL 135  25.551  12.189  -4.316
 1027   HG11  VAL 135          HG11      VAL 135  27.006  11.654  -1.734
 1028   HG12  VAL 135          HG12      VAL 135  26.049  13.086  -2.110
 1029   HG13  VAL 135          HG13      VAL 135  27.532  12.760  -3.002
 1030   HG21  VAL 135          HG21      VAL 135  27.113   9.764  -3.426
 1031   HG22  VAL 135          HG22      VAL 135  27.648  10.944  -4.626
 1032   HG23  VAL 135          HG23      VAL 135  26.240   9.931  -4.944
 1033    H    GLY 136           HN       GLY 136  22.628  10.515  -1.638
 1034    HA2  GLY 136           HA2      GLY 136  21.292  12.018  -0.312
 1035    HA3  GLY 136           HA1      GLY 136  22.001  13.352  -1.227
 1036    H    TYR 137           HN       TYR 137  21.255  13.838  -3.206
 1037    HA   TYR 137           HA       TYR 137  18.847  12.429  -4.106
 1038    HB2  TYR 137           HB2      TYR 137  19.442  15.387  -4.448
 1039    HB3  TYR 137           HB1      TYR 137  18.060  14.549  -5.121
 1040    HD1  TYR 137           HD2      TYR 137  16.734  13.147  -3.158
 1041    HD2  TYR 137           HD1      TYR 137  19.013  16.694  -2.624
 1042    HE1  TYR 137           HE2      TYR 137  15.468  13.650  -1.112
 1043    HE2  TYR 137           HE1      TYR 137  17.762  17.204  -0.585
 1044    HH   TYR 137           HH       TYR 137  15.842  14.991   1.016
 1045    H    GLY 138           HN       GLY 138  21.063  14.879  -5.499
 1046    HA2  GLY 138           HA2      GLY 138  22.169  12.943  -7.286
 1047    HA3  GLY 138           HA1      GLY 138  20.994  14.000  -8.056
 1048    H    HIS 139           HN       HIS 139  23.943  14.118  -6.054
 1049    HA   HIS 139           HA       HIS 139  24.864  16.222  -7.808
 1050    HB2  HIS 139           HB2      HIS 139  25.817  17.564  -6.017
 1051    HB3  HIS 139           HB1      HIS 139  24.118  17.346  -5.658
 1052    HD1  HIS 139           HD1      HIS 139  27.493  16.885  -4.258
 1053    HD2  HIS 139           HD2      HIS 139  23.662  15.503  -3.489
 1054    HE1  HIS 139           HE1      HIS 139  27.556  15.985  -1.909
 1055    HE2  HIS 139           HE2      HIS 139  25.207  15.182  -1.463
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1   8.203 -16.031  -8.092
    2    H2   SER   1           HT2      SER   1   6.996 -17.199  -7.853
    3    H3   SER   1           HT3      SER   1   8.307 -17.124  -6.804
    4    HA   SER   1           HA       SER   1   6.252 -15.061  -7.187
    5    HB2  SER   1           HB2      SER   1   6.686 -16.992  -4.900
    6    HB3  SER   1           HB1      SER   1   5.444 -15.747  -4.978
    7    HG   SER   1           HG       SER   1   4.337 -17.321  -5.786
    8    H    ALA   2           HN       ALA   2   8.796 -16.150  -4.876
    9    HA   ALA   2           HA       ALA   2   9.173 -13.362  -4.099
   10    HB1  ALA   2           HB1      ALA   2  10.177 -15.910  -2.848
   11    HB2  ALA   2           HB2      ALA   2   8.743 -15.024  -2.346
   12    HB3  ALA   2           HB3      ALA   2  10.337 -14.289  -2.177
   13    H    LYS   3           HN       LYS   3  11.212 -12.417  -4.129
   14    HA   LYS   3           HA       LYS   3  13.080 -13.441  -6.021
   15    HB2  LYS   3           HB2      LYS   3  12.788 -11.041  -5.812
   16    HB3  LYS   3           HB1      LYS   3  13.333 -11.095  -4.146
   17    HG2  LYS   3           HG2      LYS   3  15.308 -10.505  -5.079
   18    HG3  LYS   3           HG1      LYS   3  15.432 -12.227  -5.275
   19    HD2  LYS   3           HD2      LYS   3  14.426 -10.373  -7.449
   20    HD3  LYS   3           HD1      LYS   3  16.058 -11.024  -7.363
   21    HE2  LYS   3           HE2      LYS   3  15.090 -13.309  -7.556
   22    HE3  LYS   3           HE1      LYS   3  13.498 -12.577  -7.702
   23    HZ1  LYS   3           HZ1      LYS   3  15.742 -12.175  -9.594
   24    HZ2  LYS   3           HZ2      LYS   3  14.228 -11.452  -9.707
   25    HZ3  LYS   3           HZ3      LYS   3  14.373 -13.123  -9.859
   26    H    LEU   4           HN       LEU   4  13.406 -12.493  -2.845
   27    HA   LEU   4           HA       LEU   4  15.360 -14.613  -2.221
   28    HB2  LEU   4           HB2      LEU   4  14.590 -12.282  -0.402
   29    HB3  LEU   4           HB1      LEU   4  15.919 -13.377  -0.177
   30    HG   LEU   4           HG       LEU   4  16.777 -12.283  -2.487
   31   HD11  LEU   4          HD11      LEU   4  14.822 -10.987  -2.877
   32   HD12  LEU   4          HD12      LEU   4  16.283 -10.016  -2.733
   33   HD13  LEU   4          HD13      LEU   4  15.132 -10.066  -1.399
   34   HD21  LEU   4          HD21      LEU   4  18.002 -12.225  -0.369
   35   HD22  LEU   4          HD22      LEU   4  16.964 -10.909   0.181
   36   HD23  LEU   4          HD23      LEU   4  18.043 -10.662  -1.192
   37    H    GLU   5           HN       GLU   5  14.464 -14.457   0.746
   38    HA   GLU   5           HA       GLU   5  11.925 -15.844   0.258
   39    HB2  GLU   5           HB2      GLU   5  14.011 -16.528   2.299
   40    HB3  GLU   5           HB1      GLU   5  12.395 -17.211   2.285
   41    HG2  GLU   5           HG2      GLU   5  12.853 -18.079   0.003
   42    HG3  GLU   5           HG1      GLU   5  14.518 -17.533   0.194
   43    H    CYS   6           HN       CYS   6  10.265 -15.562   1.506
   44    HA   CYS   6           HA       CYS   6  10.271 -13.152   3.159
   45    HB2  CYS   6           HB2      CYS   6   8.023 -14.687   1.823
   46    HB3  CYS   6           HB1      CYS   6   7.849 -13.202   2.750
   47    HA   PRO   7           HA       PRO   7   9.351 -15.604   6.807
   48    HB2  PRO   7           HB2      PRO   7   7.271 -13.690   7.629
   49    HB3  PRO   7           HB1      PRO   7   8.802 -14.084   8.426
   50    HG2  PRO   7           HG2      PRO   7   8.397 -11.729   7.233
   51    HG3  PRO   7           HG1      PRO   7   9.986 -12.519   7.298
   52    HD2  PRO   7           HD2      PRO   7   8.076 -12.329   5.028
   53    HD3  PRO   7           HD1      PRO   7   9.850 -12.237   5.062
   54    H    GLN   8           HN       GLN   8   7.612 -16.717   7.877
   55    HA   GLN   8           HA       GLN   8   6.089 -18.252   6.240
   56    HB2  GLN   8           HB2      GLN   8   4.918 -19.007   8.292
   57    HB3  GLN   8           HB1      GLN   8   6.669 -18.978   8.434
   58    HG2  GLN   8           HG2      GLN   8   6.555 -16.900   9.676
   59    HG3  GLN   8           HG1      GLN   8   4.811 -16.849   9.469
   60   HE21  GLN   8          HE21      GLN   8   4.460 -16.821  11.634
   61   HE22  GLN   8          HE22      GLN   8   4.663 -18.198  12.645
   62    H    ASP   9           HN       ASP   9   4.925 -15.368   7.949
   63    HA   ASP   9           HA       ASP   9   2.133 -15.869   7.369
   64    HB2  ASP   9           HB2      ASP   9   3.444 -13.377   8.466
   65    HB3  ASP   9           HB1      ASP   9   1.731 -13.735   8.476
   66    H    TRP  10           HN       TRP  10   4.214 -15.177   5.111
   67    HA   TRP  10           HA       TRP  10   2.728 -12.846   4.078
   68    HB2  TRP  10           HB2      TRP  10   5.701 -13.333   3.852
   69    HB3  TRP  10           HB1      TRP  10   4.814 -12.022   3.082
   70    HD1  TRP  10           HD1      TRP  10   5.472 -13.294   6.686
   71    HE1  TRP  10           HE1      TRP  10   5.638 -11.281   8.240
   72    HE3  TRP  10           HE3      TRP  10   4.533  -9.619   3.294
   73    HZ2  TRP  10           HZ2      TRP  10   5.416  -8.474   8.045
   74    HZ3  TRP  10           HZ3      TRP  10   4.536  -7.294   4.062
   75    HH2  TRP  10           HH2      TRP  10   4.966  -6.735   6.383
   76    H    LEU  11           HN       LEU  11   2.462 -12.677   1.892
   77    HA   LEU  11           HA       LEU  11   2.973 -15.059   0.237
   78    HB2  LEU  11           HB2      LEU  11   1.597 -12.459  -0.551
   79    HB3  LEU  11           HB1      LEU  11   1.721 -13.894  -1.529
   80    HG   LEU  11           HG       LEU  11  -0.452 -13.878  -0.898
   81   HD11  LEU  11          HD11      LEU  11   0.403 -16.041  -0.515
   82   HD12  LEU  11          HD12      LEU  11  -0.863 -15.681   0.660
   83   HD13  LEU  11          HD13      LEU  11   0.832 -15.624   1.145
   84   HD21  LEU  11          HD21      LEU  11  -1.336 -13.380   1.318
   85   HD22  LEU  11          HD22      LEU  11  -0.397 -12.052   0.637
   86   HD23  LEU  11          HD23      LEU  11   0.310 -13.070   1.904
   87    H    SER  12           HN       SER  12   3.628 -14.053  -2.182
   88    HA   SER  12           HA       SER  12   5.615 -11.995  -1.777
   89    HB2  SER  12           HB2      SER  12   7.370 -13.481  -2.800
   90    HB3  SER  12           HB1      SER  12   6.881 -13.916  -1.164
   91    HG   SER  12           HG       SER  12   5.315 -15.359  -2.351
   92    H    HIS  13           HN       HIS  13   6.064 -10.838  -3.580
   93    HA   HIS  13           HA       HIS  13   5.356 -11.866  -6.185
   94    HB2  HIS  13           HB2      HIS  13   3.240 -10.767  -5.465
   95    HB3  HIS  13           HB1      HIS  13   4.123  -9.281  -5.163
   96    HD1  HIS  13           HD1      HIS  13   4.066  -7.589  -7.112
   97    HD2  HIS  13           HD2      HIS  13   3.362 -11.526  -8.357
   98    HE1  HIS  13           HE1      HIS  13   3.611  -7.463  -9.525
   99    HE2  HIS  13           HE2      HIS  13   3.156  -9.788 -10.299
  100    H    ARG  14           HN       ARG  14   7.239 -11.703  -7.026
  101    HA   ARG  14           HA       ARG  14   8.963 -10.863  -8.154
  102    HB2  ARG  14           HB2      ARG  14   7.989  -8.086  -7.429
  103    HB3  ARG  14           HB1      ARG  14   9.227  -8.462  -8.613
  104    HG2  ARG  14           HG2      ARG  14   6.322  -9.210  -8.772
  105    HG3  ARG  14           HG1      ARG  14   7.111  -7.903  -9.649
  106    HD2  ARG  14           HD2      ARG  14   8.477  -9.497 -10.857
  107    HD3  ARG  14           HD1      ARG  14   7.802 -10.826  -9.909
  108    HE   ARG  14           HE       ARG  14   5.796  -9.289 -11.186
  109   HH11  ARG  14          HH11      ARG  14   8.216 -11.758 -11.946
  110   HH12  ARG  14          HH12      ARG  14   7.246 -12.521 -13.116
  111   HH21  ARG  14          HH21      ARG  14   4.454 -10.370 -12.738
  112   HH22  ARG  14          HH22      ARG  14   5.064 -11.701 -13.599
  113    H    ASP  15           HN       ASP  15   8.871  -8.272  -5.814
  114    HA   ASP  15           HA       ASP  15  11.231  -9.405  -4.564
  115    HB2  ASP  15           HB2      ASP  15  12.342  -7.136  -4.656
  116    HB3  ASP  15           HB1      ASP  15  12.215  -7.970  -6.199
  117    H    LYS  16           HN       LYS  16   8.415  -9.018  -3.745
  118    HA   LYS  16           HA       LYS  16   8.974  -7.761  -1.223
  119    HB2  LYS  16           HB2      LYS  16   6.440  -7.001  -2.697
  120    HB3  LYS  16           HB1      LYS  16   6.860  -6.549  -1.072
  121    HG2  LYS  16           HG2      LYS  16   7.322  -4.586  -2.163
  122    HG3  LYS  16           HG1      LYS  16   8.901  -5.368  -2.239
  123    HD2  LYS  16           HD2      LYS  16   8.426  -4.487  -4.375
  124    HD3  LYS  16           HD1      LYS  16   8.270  -6.239  -4.483
  125    HE2  LYS  16           HE2      LYS  16   6.368  -5.377  -5.658
  126    HE3  LYS  16           HE1      LYS  16   5.813  -5.883  -4.059
  127    HZ1  LYS  16           HZ1      LYS  16   6.494  -3.087  -4.607
  128    HZ2  LYS  16           HZ2      LYS  16   5.509  -3.717  -3.348
  129    HZ3  LYS  16           HZ3      LYS  16   5.010  -3.766  -4.951
  130    H    CYS  17           HN       CYS  17   7.513  -8.355   0.334
  131    HA   CYS  17           HA       CYS  17   6.052 -10.853  -0.211
  132    HB2  CYS  17           HB2      CYS  17   6.978  -9.803   2.453
  133    HB3  CYS  17           HB1      CYS  17   6.569 -11.457   2.012
  134    H    PHE  18           HN       PHE  18   3.851 -10.847   0.502
  135    HA   PHE  18           HA       PHE  18   2.913  -8.204   1.445
  136    HB2  PHE  18           HB2      PHE  18   1.341 -10.143  -0.256
  137    HB3  PHE  18           HB1      PHE  18   0.778  -8.593   0.334
  138    HD1  PHE  18           HD1      PHE  18   3.301  -6.999  -0.258
  139    HD2  PHE  18           HD2      PHE  18   1.102  -9.846  -2.488
  140    HE1  PHE  18           HE1      PHE  18   4.087  -5.943  -2.329
  141    HE2  PHE  18           HE2      PHE  18   1.889  -8.797  -4.596
  142    HZ   PHE  18           HZ       PHE  18   3.384  -6.848  -4.508
  143    H    HIS  19           HN       HIS  19   1.416  -8.105   2.995
  144    HA   HIS  19           HA       HIS  19   0.350 -10.600   4.102
  145    HB2  HIS  19           HB2      HIS  19   2.350  -9.847   5.503
  146    HB3  HIS  19           HB1      HIS  19   1.488  -8.360   5.768
  147    HD1  HIS  19           HD1      HIS  19   1.236 -12.025   6.710
  148    HD2  HIS  19           HD2      HIS  19  -0.461  -8.367   7.712
  149    HE1  HIS  19           HE1      HIS  19  -0.063 -12.422   8.796
  150    HE2  HIS  19           HE2      HIS  19  -0.973 -10.208   9.448
  151    H    VAL  20           HN       VAL  20  -1.725 -10.315   3.666
  152    HA   VAL  20           HA       VAL  20  -2.987  -7.713   3.980
  153    HB   VAL  20           HB       VAL  20  -4.211 -10.373   3.189
  154   HG11  VAL  20          HG11      VAL  20  -6.056  -9.024   2.310
  155   HG12  VAL  20          HG12      VAL  20  -5.275  -7.566   2.909
  156   HG13  VAL  20          HG13      VAL  20  -5.841  -8.793   4.043
  157   HG21  VAL  20          HG21      VAL  20  -2.505  -9.722   1.569
  158   HG22  VAL  20          HG22      VAL  20  -3.255  -8.135   1.394
  159   HG23  VAL  20          HG23      VAL  20  -4.113  -9.583   0.867
  160    H    SER  21           HN       SER  21  -3.231  -7.291   6.097
  161    HA   SER  21           HA       SER  21  -3.820  -9.300   8.041
  162    HB2  SER  21           HB2      SER  21  -3.960  -6.302   8.319
  163    HB3  SER  21           HB1      SER  21  -3.660  -7.494   9.583
  164    HG   SER  21           HG       SER  21  -1.892  -6.191   8.354
  165    H    GLN  22           HN       GLN  22  -5.864 -10.108   8.071
  166    HA   GLN  22           HA       GLN  22  -8.128  -8.647   7.050
  167    HB2  GLN  22           HB2      GLN  22  -7.850 -11.403   8.212
  168    HB3  GLN  22           HB1      GLN  22  -9.410 -10.717   7.790
  169    HG2  GLN  22           HG2      GLN  22  -7.109 -11.144   5.890
  170    HG3  GLN  22           HG1      GLN  22  -8.529 -12.175   6.032
  171   HE21  GLN  22          HE21      GLN  22 -10.352  -9.922   6.405
  172   HE22  GLN  22          HE22      GLN  22 -10.558  -9.153   4.880
  173    H    VAL  23           HN       VAL  23  -6.768  -7.844   9.531
  174    HA   VAL  23           HA       VAL  23  -9.108  -7.797  11.288
  175    HB   VAL  23           HB       VAL  23  -7.517  -7.353  13.219
  176   HG11  VAL  23          HG11      VAL  23  -6.906  -9.699  13.510
  177   HG12  VAL  23          HG12      VAL  23  -7.238  -9.998  11.801
  178   HG13  VAL  23          HG13      VAL  23  -8.544  -9.515  12.887
  179   HG21  VAL  23          HG21      VAL  23  -5.176  -8.056  12.971
  180   HG22  VAL  23          HG22      VAL  23  -5.543  -6.687  11.922
  181   HG23  VAL  23          HG23      VAL  23  -5.433  -8.312  11.246
  182    H    SER  24           HN       SER  24  -9.294  -5.748  12.540
  183    HA   SER  24           HA       SER  24  -8.639  -3.712  10.577
  184    HB2  SER  24           HB2      SER  24 -10.945  -3.797  12.516
  185    HB3  SER  24           HB1      SER  24 -10.637  -2.532  11.320
  186    HG   SER  24           HG       SER  24 -11.243  -5.260  10.862
  187    H    ASN  25           HN       ASN  25  -7.901  -1.768  11.037
  188    HA   ASN  25           HA       ASN  25  -7.117  -0.785  13.667
  189    HB2  ASN  25           HB2      ASN  25  -5.296  -1.769  11.501
  190    HB3  ASN  25           HB1      ASN  25  -4.838  -0.290  12.319
  191   HD21  ASN  25          HD21      ASN  25  -2.942  -1.304  13.039
  192   HD22  ASN  25          HD22      ASN  25  -2.950  -2.441  14.314
  193    H    THR  26           HN       THR  26  -6.326   1.579  13.252
  194    HA   THR  26           HA       THR  26  -7.611   2.681  10.924
  195    HB   THR  26           HB       THR  26  -6.563   4.861  11.674
  196    HG1  THR  26           HG1      THR  26  -5.819   3.391  13.969
  197   HG21  THR  26          HG21      THR  26  -8.803   4.261  12.443
  198   HG22  THR  26          HG22      THR  26  -7.920   5.118  13.701
  199   HG23  THR  26          HG23      THR  26  -8.107   3.363  13.792
  200    H    TRP  27           HN       TRP  27  -6.187   4.252   9.546
  201    HA   TRP  27           HA       TRP  27  -4.473   2.652   8.033
  202    HB2  TRP  27           HB2      TRP  27  -5.665   4.653   7.164
  203    HB3  TRP  27           HB1      TRP  27  -4.607   5.654   8.139
  204    HD1  TRP  27           HD1      TRP  27  -4.538   3.508   4.962
  205    HE1  TRP  27           HE1      TRP  27  -2.493   4.173   3.577
  206    HE3  TRP  27           HE3      TRP  27  -2.419   6.660   8.274
  207    HZ2  TRP  27           HZ2      TRP  27  -0.224   5.907   3.877
  208    HZ3  TRP  27           HZ3      TRP  27  -0.369   7.790   7.749
  209    HH2  TRP  27           HH2      TRP  27   0.756   7.440   5.545
  210    H    GLU  28           HN       GLU  28  -3.633   5.242  10.347
  211    HA   GLU  28           HA       GLU  28  -0.846   4.918   9.995
  212    HB2  GLU  28           HB2      GLU  28  -2.440   6.264  12.159
  213    HB3  GLU  28           HB1      GLU  28  -0.674   6.283  12.142
  214    HG2  GLU  28           HG2      GLU  28  -0.756   7.468  10.011
  215    HG3  GLU  28           HG1      GLU  28  -2.519   7.336  10.034
  216    H    GLU  29           HN       GLU  29  -3.133   3.446  12.224
  217    HA   GLU  29           HA       GLU  29  -1.258   2.167  13.900
  218    HB2  GLU  29           HB2      GLU  29  -4.065   1.438  13.132
  219    HB3  GLU  29           HB1      GLU  29  -3.113   0.421  14.198
  220    HG2  GLU  29           HG2      GLU  29  -2.977   2.224  15.805
  221    HG3  GLU  29           HG1      GLU  29  -3.856   3.290  14.705
  222    H    GLY  30           HN       GLY  30  -2.842   1.065  10.933
  223    HA2  GLY  30           HA2      GLY  30  -1.600  -1.472  10.845
  224    HA3  GLY  30           HA1      GLY  30  -2.288  -0.653   9.471
  225    H    LEU  31           HN       LEU  31  -0.630   1.659   9.634
  226    HA   LEU  31           HA       LEU  31   1.539   0.923   8.052
  227    HB2  LEU  31           HB2      LEU  31   0.378   3.237   8.578
  228    HB3  LEU  31           HB1      LEU  31   1.595   3.357   9.820
  229    HG   LEU  31           HG       LEU  31   2.022   3.280   6.836
  230   HD11  LEU  31          HD11      LEU  31   2.926   5.514   7.172
  231   HD12  LEU  31          HD12      LEU  31   2.513   5.402   8.884
  232   HD13  LEU  31          HD13      LEU  31   1.237   5.381   7.665
  233   HD21  LEU  31          HD21      LEU  31   4.116   3.403   9.007
  234   HD22  LEU  31          HD22      LEU  31   4.411   3.616   7.280
  235   HD23  LEU  31          HD23      LEU  31   3.855   2.060   7.895
  236    H    VAL  32           HN       VAL  32   1.392   1.827  11.500
  237    HA   VAL  32           HA       VAL  32   4.101   1.321  12.137
  238    HB   VAL  32           HB       VAL  32   1.675   1.359  13.978
  239   HG11  VAL  32          HG11      VAL  32   3.256   1.798  15.807
  240   HG12  VAL  32          HG12      VAL  32   4.604   1.594  14.686
  241   HG13  VAL  32          HG13      VAL  32   3.554   0.229  15.057
  242   HG21  VAL  32          HG21      VAL  32   3.658   3.515  13.275
  243   HG22  VAL  32          HG22      VAL  32   2.393   3.659  14.495
  244   HG23  VAL  32          HG23      VAL  32   1.962   3.455  12.794
  245    H    ASP  33           HN       ASP  33   1.257  -0.725  12.115
  246    HA   ASP  33           HA       ASP  33   2.419  -2.942  13.375
  247    HB2  ASP  33           HB2      ASP  33   0.011  -2.510  11.738
  248    HB3  ASP  33           HB1      ASP  33   0.590  -4.163  11.774
  249    H    CYS  34           HN       CYS  34   2.472  -1.929  10.024
  250    HA   CYS  34           HA       CYS  34   3.786  -4.261   9.093
  251    HB2  CYS  34           HB2      CYS  34   3.981  -1.483   7.922
  252    HB3  CYS  34           HB1      CYS  34   4.358  -2.929   7.086
  253    H    ASP  35           HN       ASP  35   4.939  -1.158  10.370
  254    HA   ASP  35           HA       ASP  35   7.710  -1.541  10.032
  255    HB2  ASP  35           HB2      ASP  35   6.175  -0.051  12.157
  256    HB3  ASP  35           HB1      ASP  35   7.920  -0.135  12.207
  257    H    GLY  36           HN       GLY  36   5.477  -2.711  12.372
  258    HA2  GLY  36           HA2      GLY  36   7.172  -3.761  14.316
  259    HA3  GLY  36           HA1      GLY  36   5.559  -4.352  13.948
  260    H    LYS  37           HN       LYS  37   6.361  -5.054  11.160
  261    HA   LYS  37           HA       LYS  37   7.741  -7.556  11.871
  262    HB2  LYS  37           HB2      LYS  37   6.258  -6.870   9.332
  263    HB3  LYS  37           HB1      LYS  37   7.082  -8.374   9.624
  264    HG2  LYS  37           HG2      LYS  37   4.927  -9.011  10.080
  265    HG3  LYS  37           HG1      LYS  37   5.398  -8.459  11.685
  266    HD2  LYS  37           HD2      LYS  37   4.349  -6.331  11.316
  267    HD3  LYS  37           HD1      LYS  37   4.015  -6.746   9.638
  268    HE2  LYS  37           HE2      LYS  37   1.995  -7.005  10.915
  269    HE3  LYS  37           HE1      LYS  37   2.564  -8.590  10.416
  270    HZ1  LYS  37           HZ1      LYS  37   2.968  -7.415  13.118
  271    HZ2  LYS  37           HZ2      LYS  37   3.405  -8.981  12.640
  272    HZ3  LYS  37           HZ3      LYS  37   1.795  -8.520  12.690
  273    H    GLY  38           HN       GLY  38   8.720  -4.642  11.028
  274    HA2  GLY  38           HA2      GLY  38  10.558  -3.831   9.915
  275    HA3  GLY  38           HA1      GLY  38  11.093  -5.503   9.717
  276    H    ALA  39           HN       ALA  39   8.245  -3.765   8.662
  277    HA   ALA  39           HA       ALA  39   8.985  -4.064   5.884
  278    HB1  ALA  39           HB1      ALA  39   7.768  -6.093   6.338
  279    HB2  ALA  39           HB2      ALA  39   6.735  -4.990   5.396
  280    HB3  ALA  39           HB3      ALA  39   6.464  -5.158   7.123
  281    H    THR  40           HN       THR  40   6.978  -2.985   4.620
  282    HA   THR  40           HA       THR  40   6.334  -0.560   6.083
  283    HB   THR  40           HB       THR  40   6.349   0.312   3.574
  284    HG1  THR  40           HG1      THR  40   7.786  -0.787   2.287
  285   HG21  THR  40          HG21      THR  40   7.770   1.174   5.401
  286   HG22  THR  40          HG22      THR  40   8.661   1.055   3.891
  287   HG23  THR  40          HG23      THR  40   8.896  -0.162   5.150
  288    H    LEU  41           HN       LEU  41   4.367   0.539   5.116
  289    HA   LEU  41           HA       LEU  41   2.231  -1.369   4.808
  290    HB2  LEU  41           HB2      LEU  41   2.112   0.851   6.077
  291    HB3  LEU  41           HB1      LEU  41   2.169   1.655   4.531
  292    HG   LEU  41           HG       LEU  41  -0.003   0.618   3.929
  293   HD11  LEU  41          HD11      LEU  41  -1.351  -0.434   5.664
  294   HD12  LEU  41          HD12      LEU  41   0.005  -0.372   6.782
  295   HD13  LEU  41          HD13      LEU  41   0.099  -1.375   5.332
  296   HD21  LEU  41          HD21      LEU  41   0.106   2.857   4.926
  297   HD22  LEU  41          HD22      LEU  41  -0.033   2.137   6.529
  298   HD23  LEU  41          HD23      LEU  41  -1.365   1.999   5.380
  299    H    MET  42           HN       MET  42   1.242  -1.894   2.908
  300    HA   MET  42           HA       MET  42   2.585  -2.460   0.716
  301    HB2  MET  42           HB2      MET  42   0.369  -3.268   1.104
  302    HB3  MET  42           HB1      MET  42  -0.311  -1.690   0.743
  303    HG2  MET  42           HG2      MET  42  -0.613  -3.203  -1.124
  304    HG3  MET  42           HG1      MET  42   0.463  -1.887  -1.579
  305    HE1  MET  42           HE1      MET  42   1.544  -3.031  -3.639
  306    HE2  MET  42           HE2      MET  42   0.288  -4.233  -3.416
  307    HE3  MET  42           HE3      MET  42   1.962  -4.749  -3.681
  308    H    LEU  43           HN       LEU  43   3.624  -1.619  -0.875
  309    HA   LEU  43           HA       LEU  43   2.977   1.066  -1.924
  310    HB2  LEU  43           HB2      LEU  43   5.657  -0.366  -1.952
  311    HB3  LEU  43           HB1      LEU  43   5.333   1.160  -2.730
  312    HG   LEU  43           HG       LEU  43   6.555   1.707  -0.859
  313   HD11  LEU  43          HD11      LEU  43   3.714   2.106  -0.047
  314   HD12  LEU  43          HD12      LEU  43   4.707   3.130  -1.090
  315   HD13  LEU  43          HD13      LEU  43   5.120   2.950   0.617
  316   HD21  LEU  43          HD21      LEU  43   6.174   0.903   1.407
  317   HD22  LEU  43          HD22      LEU  43   6.490  -0.434   0.296
  318   HD23  LEU  43          HD23      LEU  43   4.844  -0.099   0.832
  319    H    ILE  44           HN       ILE  44   1.709   0.536  -3.587
  320    HA   ILE  44           HA       ILE  44   2.090  -1.818  -5.229
  321    HB   ILE  44           HB       ILE  44   0.248   0.543  -5.698
  322   HG12  ILE  44          HG12      ILE  44  -0.424  -2.006  -4.212
  323   HG13  ILE  44          HG11      ILE  44   0.009  -0.505  -3.404
  324   HG21  ILE  44          HG21      ILE  44  -1.102  -1.054  -6.942
  325   HG22  ILE  44          HG22      ILE  44   0.053  -2.331  -6.576
  326   HG23  ILE  44          HG23      ILE  44   0.535  -0.977  -7.606
  327   HD11  ILE  44          HD11      ILE  44  -1.962   0.578  -4.310
  328   HD12  ILE  44          HD12      ILE  44  -2.427  -0.936  -3.528
  329   HD13  ILE  44          HD13      ILE  44  -2.289  -0.846  -5.285
  330    H    GLN  45           HN       GLN  45   3.458  -1.861  -6.944
  331    HA   GLN  45           HA       GLN  45   4.364   0.722  -7.996
  332    HB2  GLN  45           HB2      GLN  45   5.521  -2.020  -8.487
  333    HB3  GLN  45           HB1      GLN  45   6.217  -0.498  -9.012
  334    HG2  GLN  45           HG2      GLN  45   5.884  -1.456  -6.177
  335    HG3  GLN  45           HG1      GLN  45   7.391  -1.294  -7.075
  336   HE21  GLN  45          HE21      GLN  45   6.599  -0.113  -4.555
  337   HE22  GLN  45          HE22      GLN  45   6.740   1.597  -4.750
  338    H    ASP  46           HN       ASP  46   2.317  -1.884  -8.905
  339    HA   ASP  46           HA       ASP  46   1.837  -0.782 -11.517
  340    HB2  ASP  46           HB2      ASP  46   3.919  -2.186 -11.850
  341    HB3  ASP  46           HB1      ASP  46   3.005  -3.582 -11.307
  342    H    GLN  47           HN       GLN  47   0.117  -2.226 -12.625
  343    HA   GLN  47           HA       GLN  47  -1.860  -2.886 -10.692
  344    HB2  GLN  47           HB2      GLN  47  -2.418  -1.865 -12.871
  345    HB3  GLN  47           HB1      GLN  47  -1.900  -3.331 -13.683
  346    HG2  GLN  47           HG2      GLN  47  -3.692  -4.581 -12.731
  347    HG3  GLN  47           HG1      GLN  47  -4.120  -3.250 -11.658
  348   HE21  GLN  47          HE21      GLN  47  -5.115  -1.482 -12.484
  349   HE22  GLN  47          HE22      GLN  47  -5.927  -1.448 -13.984
  350    H    GLU  48           HN       GLU  48   0.613  -4.722 -12.395
  351    HA   GLU  48           HA       GLU  48  -0.251  -7.331 -12.273
  352    HB2  GLU  48           HB2      GLU  48   2.049  -5.806 -12.720
  353    HB3  GLU  48           HB1      GLU  48   2.457  -6.876 -11.395
  354    HG2  GLU  48           HG2      GLU  48   1.318  -7.768 -14.001
  355    HG3  GLU  48           HG1      GLU  48   3.034  -7.620 -13.617
  356    H    GLU  49           HN       GLU  49   0.982  -5.169  -9.854
  357    HA   GLU  49           HA       GLU  49   1.438  -6.899  -7.683
  358    HB2  GLU  49           HB2      GLU  49   0.560  -4.031  -7.782
  359    HB3  GLU  49           HB1      GLU  49   1.236  -4.821  -6.368
  360    HG2  GLU  49           HG2      GLU  49   2.850  -4.955  -8.823
  361    HG3  GLU  49           HG1      GLU  49   2.657  -3.359  -8.104
  362    H    LEU  50           HN       LEU  50  -1.306  -4.790  -8.498
  363    HA   LEU  50           HA       LEU  50  -2.832  -5.654  -6.311
  364    HB2  LEU  50           HB2      LEU  50  -3.689  -4.038  -8.695
  365    HB3  LEU  50           HB1      LEU  50  -4.754  -4.504  -7.383
  366    HG   LEU  50           HG       LEU  50  -2.255  -2.881  -7.039
  367   HD11  LEU  50          HD11      LEU  50  -3.792  -1.006  -6.650
  368   HD12  LEU  50          HD12      LEU  50  -5.158  -2.055  -7.016
  369   HD13  LEU  50          HD13      LEU  50  -3.991  -1.658  -8.277
  370   HD21  LEU  50          HD21      LEU  50  -4.435  -3.766  -5.155
  371   HD22  LEU  50          HD22      LEU  50  -3.291  -2.496  -4.777
  372   HD23  LEU  50          HD23      LEU  50  -2.713  -4.134  -5.037
  373    H    ARG  51           HN       ARG  51  -2.534  -6.977  -9.481
  374    HA   ARG  51           HA       ARG  51  -4.879  -8.452  -9.541
  375    HB2  ARG  51           HB2      ARG  51  -3.709  -8.236 -11.529
  376    HB3  ARG  51           HB1      ARG  51  -2.152  -8.470 -10.749
  377    HG2  ARG  51           HG2      ARG  51  -2.688 -10.589 -10.285
  378    HG3  ARG  51           HG1      ARG  51  -4.226 -10.584 -11.211
  379    HD2  ARG  51           HD2      ARG  51  -2.837  -9.899 -13.196
  380    HD3  ARG  51           HD1      ARG  51  -1.433 -10.090 -12.134
  381    HE   ARG  51           HE       ARG  51  -3.102 -12.414 -12.334
  382   HH11  ARG  51          HH11      ARG  51  -0.152 -10.876 -13.578
  383   HH12  ARG  51          HH12      ARG  51   0.309 -12.237 -14.488
  384   HH21  ARG  51          HH21      ARG  51  -2.334 -14.319 -13.518
  385   HH22  ARG  51          HH22      ARG  51  -0.893 -14.212 -14.416
  386    H    PHE  52           HN       PHE  52  -1.649  -9.016  -8.216
  387    HA   PHE  52           HA       PHE  52  -2.330 -11.620  -7.294
  388    HB2  PHE  52           HB2      PHE  52   0.010 -11.002  -7.842
  389    HB3  PHE  52           HB1      PHE  52   0.014  -9.865  -6.498
  390    HD1  PHE  52           HD1      PHE  52  -0.568 -13.454  -7.256
  391    HD2  PHE  52           HD2      PHE  52   0.771 -10.570  -4.445
  392    HE1  PHE  52           HE1      PHE  52   0.135 -15.262  -5.748
  393    HE2  PHE  52           HE2      PHE  52   1.484 -12.360  -2.933
  394    HZ   PHE  52           HZ       PHE  52   1.162 -14.719  -3.581
  395    H    LEU  53           HN       LEU  53  -2.604  -8.385  -6.062
  396    HA   LEU  53           HA       LEU  53  -3.029  -9.081  -3.363
  397    HB2  LEU  53           HB2      LEU  53  -3.823  -6.644  -4.960
  398    HB3  LEU  53           HB1      LEU  53  -4.572  -6.949  -3.443
  399    HG   LEU  53           HG       LEU  53  -2.750  -5.392  -3.125
  400   HD11  LEU  53          HD11      LEU  53  -3.335  -6.926  -1.342
  401   HD12  LEU  53          HD12      LEU  53  -1.631  -6.460  -1.317
  402   HD13  LEU  53          HD13      LEU  53  -2.093  -8.055  -1.900
  403   HD21  LEU  53          HD21      LEU  53  -0.419  -6.103  -3.352
  404   HD22  LEU  53          HD22      LEU  53  -1.247  -6.054  -4.907
  405   HD23  LEU  53          HD23      LEU  53  -0.958  -7.600  -4.109
  406    H    LEU  54           HN       LEU  54  -5.220  -8.559  -6.022
  407    HA   LEU  54           HA       LEU  54  -7.586  -9.159  -4.759
  408    HB2  LEU  54           HB2      LEU  54  -6.736  -9.791  -7.561
  409    HB3  LEU  54           HB1      LEU  54  -8.407  -9.791  -7.079
  410    HG   LEU  54           HG       LEU  54  -6.503  -7.514  -7.376
  411   HD11  LEU  54          HD11      LEU  54  -8.259  -6.586  -8.799
  412   HD12  LEU  54          HD12      LEU  54  -9.239  -8.022  -8.505
  413   HD13  LEU  54          HD13      LEU  54  -7.702  -8.164  -9.354
  414   HD21  LEU  54          HD21      LEU  54  -7.512  -7.106  -5.257
  415   HD22  LEU  54          HD22      LEU  54  -9.133  -7.423  -5.885
  416   HD23  LEU  54          HD23      LEU  54  -8.230  -5.999  -6.427
  417    H    ASP  55           HN       ASP  55  -5.257 -11.417  -6.148
  418    HA   ASP  55           HA       ASP  55  -6.696 -13.795  -5.657
  419    HB2  ASP  55           HB2      ASP  55  -3.768 -13.255  -5.996
  420    HB3  ASP  55           HB1      ASP  55  -4.345 -14.853  -5.593
  421    H    SER  56           HN       SER  56  -4.449 -11.979  -3.630
  422    HA   SER  56           HA       SER  56  -4.612 -13.976  -1.593
  423    HB2  SER  56           HB2      SER  56  -3.085 -12.311  -0.350
  424    HB3  SER  56           HB1      SER  56  -2.448 -13.087  -1.796
  425    HG   SER  56           HG       SER  56  -2.762 -11.211  -2.932
  426    H    ILE  57           HN       ILE  57  -6.405 -11.349  -2.498
  427    HA   ILE  57           HA       ILE  57  -7.408 -10.598   0.099
  428    HB   ILE  57           HB       ILE  57  -8.360  -9.900  -2.691
  429   HG12  ILE  57          HG12      ILE  57  -6.301  -8.779  -2.260
  430   HG13  ILE  57          HG11      ILE  57  -7.583  -7.591  -2.105
  431   HG21  ILE  57          HG21      ILE  57 -10.273  -9.860  -1.279
  432   HG22  ILE  57          HG22      ILE  57  -9.810  -8.207  -1.699
  433   HG23  ILE  57          HG23      ILE  57  -9.429  -8.853  -0.103
  434   HD11  ILE  57          HD11      ILE  57  -5.909  -7.284  -0.405
  435   HD12  ILE  57          HD12      ILE  57  -6.113  -8.947   0.135
  436   HD13  ILE  57          HD13      ILE  57  -7.427  -7.787   0.340
  437    H    LYS  58           HN       LYS  58  -8.712 -12.264  -2.754
  438    HA   LYS  58           HA       LYS  58 -10.306 -13.771  -3.083
  439    HB2  LYS  58           HB2      LYS  58  -9.301 -15.240  -1.472
  440    HB3  LYS  58           HB1      LYS  58  -9.962 -14.333  -0.127
  441    HG2  LYS  58           HG2      LYS  58 -11.126 -16.467  -0.441
  442    HG3  LYS  58           HG1      LYS  58 -12.213 -15.102  -0.677
  443    HD2  LYS  58           HD2      LYS  58 -12.654 -16.747  -2.379
  444    HD3  LYS  58           HD1      LYS  58 -11.901 -15.345  -3.130
  445    HE2  LYS  58           HE2      LYS  58  -9.721 -16.541  -3.047
  446    HE3  LYS  58           HE1      LYS  58 -10.564 -17.949  -2.414
  447    HZ1  LYS  58           HZ1      LYS  58 -10.280 -18.170  -4.773
  448    HZ2  LYS  58           HZ2      LYS  58 -10.942 -16.673  -5.046
  449    HZ3  LYS  58           HZ3      LYS  58 -11.929 -17.925  -4.480
  450    H    GLU  59           HN       GLU  59 -11.280 -12.446   0.046
  451    HA   GLU  59           HA       GLU  59 -14.037 -12.584  -0.436
  452    HB2  GLU  59           HB2      GLU  59 -12.579 -10.726   1.436
  453    HB3  GLU  59           HB1      GLU  59 -14.299 -11.066   1.476
  454    HG2  GLU  59           HG2      GLU  59 -13.814 -13.411   1.974
  455    HG3  GLU  59           HG1      GLU  59 -12.088 -13.048   1.953
  456    H    LYS  60           HN       LYS  60 -11.978  -9.672  -0.427
  457    HA   LYS  60           HA       LYS  60 -12.033  -7.722  -1.494
  458    HB2  LYS  60           HB2      LYS  60 -14.228  -8.814  -3.254
  459    HB3  LYS  60           HB1      LYS  60 -13.278  -7.367  -3.549
  460    HG2  LYS  60           HG2      LYS  60 -11.245  -8.866  -3.682
  461    HG3  LYS  60           HG1      LYS  60 -12.391 -10.214  -3.610
  462    HD2  LYS  60           HD2      LYS  60 -12.378  -8.059  -5.726
  463    HD3  LYS  60           HD1      LYS  60 -11.755  -9.698  -5.928
  464    HE2  LYS  60           HE2      LYS  60 -14.001 -10.595  -5.499
  465    HE3  LYS  60           HE1      LYS  60 -14.605  -8.955  -5.283
  466    HZ1  LYS  60           HZ1      LYS  60 -13.485 -10.073  -7.793
  467    HZ2  LYS  60           HZ2      LYS  60 -13.996  -8.485  -7.591
  468    HZ3  LYS  60           HZ3      LYS  60 -15.108  -9.725  -7.492
  469    H    TYR  61           HN       TYR  61 -14.702  -8.906   0.119
  470    HA   TYR  61           HA       TYR  61 -16.359  -6.575  -0.084
  471    HB2  TYR  61           HB2      TYR  61 -16.429  -8.946   1.770
  472    HB3  TYR  61           HB1      TYR  61 -17.570  -7.612   1.896
  473    HD1  TYR  61           HD2      TYR  61 -16.223  -9.971  -0.638
  474    HD2  TYR  61           HD1      TYR  61 -19.578  -7.806   0.773
  475    HE1  TYR  61           HE2      TYR  61 -17.586 -11.043  -2.324
  476    HE2  TYR  61           HE1      TYR  61 -20.982  -8.877  -0.930
  477    HH   TYR  61           HH       TYR  61 -20.729  -9.932  -3.031
  478    H    ASN  62           HN       ASN  62 -13.697  -7.443   1.794
  479    HA   ASN  62           HA       ASN  62 -14.234  -5.632   3.990
  480    HB2  ASN  62           HB2      ASN  62 -11.552  -6.805   3.219
  481    HB3  ASN  62           HB1      ASN  62 -11.973  -6.069   4.742
  482   HD21  ASN  62          HD21      ASN  62 -11.862  -8.911   2.891
  483   HD22  ASN  62          HD22      ASN  62 -12.463  -9.980   4.094
  484    H    SER  63           HN       SER  63 -11.945  -4.286   4.362
  485    HA   SER  63           HA       SER  63 -11.328  -2.783   1.956
  486    HB2  SER  63           HB2      SER  63 -12.112  -1.447   4.576
  487    HB3  SER  63           HB1      SER  63 -11.719  -0.655   3.057
  488    HG   SER  63           HG       SER  63 -13.950  -0.795   3.516
  489    H    PHE  64           HN       PHE  64  -9.156  -2.626   1.888
  490    HA   PHE  64           HA       PHE  64  -7.675  -3.028   4.423
  491    HB2  PHE  64           HB2      PHE  64  -6.547  -3.913   1.801
  492    HB3  PHE  64           HB1      PHE  64  -6.226  -4.514   3.421
  493    HD1  PHE  64           HD2      PHE  64  -7.804  -6.121   4.476
  494    HD2  PHE  64           HD1      PHE  64  -8.278  -4.760   0.489
  495    HE1  PHE  64           HE2      PHE  64  -9.341  -7.964   4.009
  496    HE2  PHE  64           HE1      PHE  64  -9.774  -6.529  -0.004
  497    HZ   PHE  64           HZ       PHE  64 -10.356  -8.192   1.775
  498    H    TRP  65           HN       TRP  65  -6.472  -1.337   4.865
  499    HA   TRP  65           HA       TRP  65  -5.998   0.874   3.191
  500    HB2  TRP  65           HB2      TRP  65  -4.422  -0.003   5.604
  501    HB3  TRP  65           HB1      TRP  65  -4.367   1.580   4.875
  502    HD1  TRP  65           HD1      TRP  65  -5.785  -0.172   7.699
  503    HE1  TRP  65           HE1      TRP  65  -7.703   1.104   8.770
  504    HE3  TRP  65           HE3      TRP  65  -6.745   3.146   3.907
  505    HZ2  TRP  65           HZ2      TRP  65  -9.424   3.242   8.111
  506    HZ3  TRP  65           HZ3      TRP  65  -8.565   4.775   4.230
  507    HH2  TRP  65           HH2      TRP  65  -9.880   4.806   6.306
  508    H    ILE  66           HN       ILE  66  -4.371   1.324   1.792
  509    HA   ILE  66           HA       ILE  66  -1.959  -0.308   2.000
  510    HB   ILE  66           HB       ILE  66  -1.351   0.223  -0.354
  511   HG12  ILE  66          HG12      ILE  66  -2.925   2.266  -0.561
  512   HG13  ILE  66          HG11      ILE  66  -2.761   1.230  -1.964
  513   HG21  ILE  66          HG21      ILE  66  -3.906  -1.309  -0.051
  514   HG22  ILE  66          HG22      ILE  66  -2.247  -1.916   0.050
  515   HG23  ILE  66          HG23      ILE  66  -2.882  -1.339  -1.485
  516   HD11  ILE  66          HD11      ILE  66  -4.910   0.185  -1.461
  517   HD12  ILE  66          HD12      ILE  66  -5.071   1.931  -1.615
  518   HD13  ILE  66          HD13      ILE  66  -5.066   1.187  -0.017
  519    H    GLY  67           HN       GLY  67   0.006   1.185   0.911
  520    HA2  GLY  67           HA2      GLY  67   0.140   3.230   2.923
  521    HA3  GLY  67           HA1      GLY  67   1.416   2.767   1.819
  522    H    LEU  68           HN       LEU  68  -1.824   3.977   1.245
  523    HA   LEU  68           HA       LEU  68  -0.727   6.184  -0.352
  524    HB2  LEU  68           HB2      LEU  68  -3.120   4.471  -0.644
  525    HB3  LEU  68           HB1      LEU  68  -3.216   6.128  -1.185
  526    HG   LEU  68           HG       LEU  68  -1.167   4.155  -2.167
  527   HD11  LEU  68          HD11      LEU  68  -3.739   5.109  -3.446
  528   HD12  LEU  68          HD12      LEU  68  -3.508   3.524  -2.718
  529   HD13  LEU  68          HD13      LEU  68  -2.580   3.969  -4.141
  530   HD21  LEU  68          HD21      LEU  68  -2.039   6.868  -3.187
  531   HD22  LEU  68          HD22      LEU  68  -0.786   5.832  -3.872
  532   HD23  LEU  68          HD23      LEU  68  -0.551   6.559  -2.298
  533    H    ARG  69           HN       ARG  69  -1.015   8.124   0.548
  534    HA   ARG  69           HA       ARG  69  -3.615   8.555   1.719
  535    HB2  ARG  69           HB2      ARG  69  -2.732  10.153   3.352
  536    HB3  ARG  69           HB1      ARG  69  -2.218   8.496   3.708
  537    HG2  ARG  69           HG2      ARG  69  -0.011   9.052   3.223
  538    HG3  ARG  69           HG1      ARG  69  -0.481  10.456   2.247
  539    HD2  ARG  69           HD2      ARG  69  -0.833  10.188   5.240
  540    HD3  ARG  69           HD1      ARG  69   0.368  11.201   4.424
  541    HE   ARG  69           HE       ARG  69  -1.863  12.099   3.318
  542   HH11  ARG  69          HH11      ARG  69  -1.151  11.637   6.766
  543   HH12  ARG  69          HH12      ARG  69  -2.305  12.776   7.275
  544   HH21  ARG  69          HH21      ARG  69  -3.421  13.614   4.018
  545   HH22  ARG  69          HH22      ARG  69  -3.674  13.946   5.662
  546    H    TYR  70           HN       TYR  70  -4.506  10.490   1.395
  547    HA   TYR  70           HA       TYR  70  -3.479  11.946  -0.860
  548    HB2  TYR  70           HB2      TYR  70  -5.853  11.289  -0.666
  549    HB3  TYR  70           HB1      TYR  70  -5.979  12.204   0.823
  550    HD1  TYR  70           HD1      TYR  70  -5.145  12.614  -2.775
  551    HD2  TYR  70           HD2      TYR  70  -6.750  14.345   0.739
  552    HE1  TYR  70           HE1      TYR  70  -5.908  14.547  -4.076
  553    HE2  TYR  70           HE2      TYR  70  -7.507  16.280  -0.541
  554    HH   TYR  70           HH       TYR  70  -7.497  16.252  -3.963
  555    H    THR  71           HN       THR  71  -2.446  13.848  -0.613
  556    HA   THR  71           HA       THR  71  -2.184  14.764   2.137
  557    HB   THR  71           HB       THR  71   0.109  15.510   1.391
  558    HG1  THR  71           HG1      THR  71  -0.497  15.302  -0.944
  559   HG21  THR  71          HG21      THR  71   1.059  13.226   1.521
  560   HG22  THR  71          HG22      THR  71  -0.560  12.557   1.258
  561   HG23  THR  71          HG23      THR  71  -0.222  13.463   2.709
  562    H    LEU  72           HN       LEU  72  -2.784  16.796   2.574
  563    HA   LEU  72           HA       LEU  72  -2.692  18.721   0.394
  564    HB2  LEU  72           HB2      LEU  72  -4.626  18.613   2.710
  565    HB3  LEU  72           HB1      LEU  72  -4.490  19.987   1.635
  566    HG   LEU  72           HG       LEU  72  -5.518  17.224   0.970
  567   HD11  LEU  72          HD11      LEU  72  -7.106  18.776   2.072
  568   HD12  LEU  72          HD12      LEU  72  -7.523  18.396   0.386
  569   HD13  LEU  72          HD13      LEU  72  -6.776  19.935   0.767
  570   HD21  LEU  72          HD21      LEU  72  -5.021  19.545  -0.859
  571   HD22  LEU  72          HD22      LEU  72  -5.878  18.063  -1.276
  572   HD23  LEU  72          HD23      LEU  72  -4.164  18.002  -0.874
  573    HA   PRO  73           HA       PRO  73  -3.004  20.820   0.301
  574    HB2  PRO  73           HB2      PRO  73  -1.248  23.040  -0.001
  575    HB3  PRO  73           HB1      PRO  73  -2.875  23.062   0.703
  576    HG2  PRO  73           HG2      PRO  73  -0.556  23.571   2.108
  577    HG3  PRO  73           HG1      PRO  73  -2.109  23.094   2.822
  578    HD2  PRO  73           HD2      PRO  73   0.283  21.412   2.231
  579    HD3  PRO  73           HD1      PRO  73  -0.829  21.352   3.618
  580    H    ASP  74           HN       ASP  74  -2.611  19.969  -1.595
  581    HA   ASP  74           HA       ASP  74  -0.758  20.516  -3.417
  582    HB2  ASP  74           HB2      ASP  74   0.741  18.512  -3.641
  583    HB3  ASP  74           HB1      ASP  74   1.107  19.480  -2.235
  584    H    MET  75           HN       MET  75  -2.750  18.004  -2.081
  585    HA   MET  75           HA       MET  75  -4.549  16.944  -2.960
  586    HB2  MET  75           HB2      MET  75  -4.062  18.811  -5.277
  587    HB3  MET  75           HB1      MET  75  -5.282  17.550  -5.359
  588    HG2  MET  75           HG2      MET  75  -6.495  18.503  -3.578
  589    HG3  MET  75           HG1      MET  75  -5.283  19.702  -3.203
  590    HE1  MET  75           HE1      MET  75  -6.574  18.464  -6.752
  591    HE2  MET  75           HE2      MET  75  -7.901  19.587  -7.028
  592    HE3  MET  75           HE3      MET  75  -7.991  18.424  -5.707
  593    H    ASN  76           HN       ASN  76  -1.736  16.121  -3.282
  594    HA   ASN  76           HA       ASN  76  -2.069  14.317  -5.539
  595    HB2  ASN  76           HB2      ASN  76   0.370  15.376  -4.120
  596    HB3  ASN  76           HB1      ASN  76   0.457  13.983  -5.205
  597   HD21  ASN  76          HD21      ASN  76  -1.463  15.021  -7.081
  598   HD22  ASN  76          HD22      ASN  76  -0.728  16.327  -7.914
  599    H    TRP  77           HN       TRP  77  -1.472  12.149  -5.257
  600    HA   TRP  77           HA       TRP  77  -1.847  11.153  -2.534
  601    HB2  TRP  77           HB2      TRP  77  -2.171   9.887  -5.240
  602    HB3  TRP  77           HB1      TRP  77  -2.111   8.943  -3.763
  603    HD1  TRP  77           HD1      TRP  77  -4.314  11.368  -5.673
  604    HE1  TRP  77           HE1      TRP  77  -6.754  11.145  -4.752
  605    HE3  TRP  77           HE3      TRP  77  -3.398   8.290  -1.770
  606    HZ2  TRP  77           HZ2      TRP  77  -8.053   9.846  -2.631
  607    HZ3  TRP  77           HZ3      TRP  77  -5.267   7.586  -0.324
  608    HH2  TRP  77           HH2      TRP  77  -7.545   8.348  -0.752
  609    H    LYS  78           HN       LYS  78  -0.056  10.589  -1.533
  610    HA   LYS  78           HA       LYS  78   2.010   9.410  -3.184
  611    HB2  LYS  78           HB2      LYS  78   2.482  11.408  -0.996
  612    HB3  LYS  78           HB1      LYS  78   3.744  10.351  -1.608
  613    HG2  LYS  78           HG2      LYS  78   4.183  11.958  -3.075
  614    HG3  LYS  78           HG1      LYS  78   2.744  11.414  -3.899
  615    HD2  LYS  78           HD2      LYS  78   2.570  13.808  -3.651
  616    HD3  LYS  78           HD1      LYS  78   1.373  13.033  -2.610
  617    HE2  LYS  78           HE2      LYS  78   2.811  13.361  -0.672
  618    HE3  LYS  78           HE1      LYS  78   4.069  14.037  -1.705
  619    HZ1  LYS  78           HZ1      LYS  78   1.385  15.210  -1.226
  620    HZ2  LYS  78           HZ2      LYS  78   2.565  15.854  -2.237
  621    HZ3  LYS  78           HZ3      LYS  78   2.838  15.759  -0.581
  622    H    TRP  79           HN       TRP  79   3.465   8.094  -2.125
  623    HA   TRP  79           HA       TRP  79   2.027   6.367  -0.263
  624    HB2  TRP  79           HB2      TRP  79   4.639   5.747  -1.666
  625    HB3  TRP  79           HB1      TRP  79   3.520   4.675  -0.862
  626    HD1  TRP  79           HD1      TRP  79   3.789   6.770  -4.059
  627    HE1  TRP  79           HE1      TRP  79   2.331   5.660  -5.844
  628    HE3  TRP  79           HE3      TRP  79   1.603   3.197  -1.171
  629    HZ2  TRP  79           HZ2      TRP  79   0.471   3.568  -6.001
  630    HZ3  TRP  79           HZ3      TRP  79  -0.022   1.689  -2.218
  631    HH2  TRP  79           HH2      TRP  79  -0.572   1.889  -4.584
  632    H    ILE  80           HN       ILE  80   3.354   5.351   1.407
  633    HA   ILE  80           HA       ILE  80   4.622   7.279   3.054
  634    HB   ILE  80           HB       ILE  80   5.161   5.460   4.593
  635   HG12  ILE  80          HG12      ILE  80   4.049   3.574   2.519
  636   HG13  ILE  80          HG11      ILE  80   5.773   3.877   2.715
  637   HG21  ILE  80          HG21      ILE  80   2.416   5.196   3.356
  638   HG22  ILE  80          HG22      ILE  80   2.889   6.351   4.602
  639   HG23  ILE  80          HG23      ILE  80   2.870   4.625   4.961
  640   HD11  ILE  80          HD11      ILE  80   3.922   2.782   4.848
  641   HD12  ILE  80          HD12      ILE  80   5.669   2.959   4.989
  642   HD13  ILE  80          HD13      ILE  80   4.984   1.808   3.853
  643    H    ASN  81           HN       ASN  81   5.912   5.339   0.544
  644    HA   ASN  81           HA       ASN  81   8.620   5.433   1.598
  645    HB2  ASN  81           HB2      ASN  81   9.315   4.177  -0.346
  646    HB3  ASN  81           HB1      ASN  81   7.823   3.450   0.233
  647   HD21  ASN  81          HD21      ASN  81   9.102   3.434  -2.409
  648   HD22  ASN  81          HD22      ASN  81   7.941   4.121  -3.491
  649    H    GLY  82           HN       GLY  82   6.549   7.306  -0.287
  650    HA2  GLY  82           HA2      GLY  82   7.104   9.651  -0.505
  651    HA3  GLY  82           HA1      GLY  82   8.776   9.182  -0.771
  652    H    SER  83           HN       SER  83   6.786   7.084  -2.386
  653    HA   SER  83           HA       SER  83   7.350   8.187  -4.953
  654    HB2  SER  83           HB2      SER  83   5.821   5.866  -3.904
  655    HB3  SER  83           HB1      SER  83   5.867   6.238  -5.613
  656    HG   SER  83           HG       SER  83   8.222   6.097  -5.372
  657    H    THR  84           HN       THR  84   5.626   8.553  -6.574
  658    HA   THR  84           HA       THR  84   3.261   9.798  -5.415
  659    HB   THR  84           HB       THR  84   4.323   9.953  -8.270
  660    HG1  THR  84           HG1      THR  84   5.298  11.062  -6.048
  661   HG21  THR  84          HG21      THR  84   2.330  11.699  -6.780
  662   HG22  THR  84          HG22      THR  84   1.925  10.520  -8.024
  663   HG23  THR  84          HG23      THR  84   2.876  11.945  -8.437
  664    H    LEU  85           HN       LEU  85   1.285   9.017  -5.950
  665    HA   LEU  85           HA       LEU  85   0.938   6.318  -6.710
  666    HB2  LEU  85           HB2      LEU  85  -0.593   7.339  -5.219
  667    HB3  LEU  85           HB1      LEU  85  -0.971   8.585  -6.381
  668    HG   LEU  85           HG       LEU  85  -2.036   6.886  -7.841
  669   HD11  LEU  85          HD11      LEU  85  -2.616   4.703  -6.930
  670   HD12  LEU  85          HD12      LEU  85  -1.628   5.053  -5.513
  671   HD13  LEU  85          HD13      LEU  85  -0.870   4.909  -7.102
  672   HD21  LEU  85          HD21      LEU  85  -3.156   7.020  -5.058
  673   HD22  LEU  85          HD22      LEU  85  -4.049   6.654  -6.543
  674   HD23  LEU  85          HD23      LEU  85  -3.341   8.245  -6.309
  675    H    ASN  86           HN       ASN  86   0.696   5.396  -8.629
  676    HA   ASN  86           HA       ASN  86  -0.016   6.985 -10.938
  677    HB2  ASN  86           HB2      ASN  86   1.602   5.116 -11.260
  678    HB3  ASN  86           HB1      ASN  86   0.384   3.979 -10.698
  679   HD21  ASN  86          HD21      ASN  86   0.519   2.857 -12.677
  680   HD22  ASN  86          HD22      ASN  86  -0.188   3.465 -14.114
  681    H    SER  87           HN       SER  87  -2.036   7.682 -10.492
  682    HA   SER  87           HA       SER  87  -4.095   6.080  -9.388
  683    HB2  SER  87           HB2      SER  87  -4.296   8.688 -10.897
  684    HB3  SER  87           HB1      SER  87  -5.485   8.021  -9.777
  685    HG   SER  87           HG       SER  87  -4.452   9.190  -8.398
  686    H    ASP  88           HN       ASP  88  -2.727   6.166 -12.423
  687    HA   ASP  88           HA       ASP  88  -5.120   5.749 -13.894
  688    HB2  ASP  88           HB2      ASP  88  -2.243   5.661 -14.723
  689    HB3  ASP  88           HB1      ASP  88  -3.531   5.175 -15.817
  690    H    VAL  89           HN       VAL  89  -3.515   3.620 -11.877
  691    HA   VAL  89           HA       VAL  89  -3.986   1.373 -13.556
  692    HB   VAL  89           HB       VAL  89  -3.560  -0.095 -11.598
  693   HG11  VAL  89          HG11      VAL  89  -1.243   0.539 -11.167
  694   HG12  VAL  89          HG12      VAL  89  -1.555   2.123 -11.879
  695   HG13  VAL  89          HG13      VAL  89  -1.676   0.670 -12.871
  696   HG21  VAL  89          HG21      VAL  89  -3.313   2.461 -10.005
  697   HG22  VAL  89          HG22      VAL  89  -2.911   0.830  -9.434
  698   HG23  VAL  89          HG23      VAL  89  -4.578   1.232  -9.870
  699    H    LEU  90           HN       LEU  90  -5.796   2.715 -10.788
  700    HA   LEU  90           HA       LEU  90  -8.198   1.463 -11.817
  701    HB2  LEU  90           HB2      LEU  90  -7.188   1.062  -8.996
  702    HB3  LEU  90           HB1      LEU  90  -8.787   0.610  -9.553
  703    HG   LEU  90           HG       LEU  90  -6.205  -0.555 -10.557
  704   HD11  LEU  90          HD11      LEU  90  -6.869  -2.563  -9.275
  705   HD12  LEU  90          HD12      LEU  90  -8.280  -1.697  -8.666
  706   HD13  LEU  90          HD13      LEU  90  -6.657  -1.166  -8.219
  707   HD21  LEU  90          HD21      LEU  90  -7.647  -2.273 -11.579
  708   HD22  LEU  90          HD22      LEU  90  -7.980  -0.669 -12.221
  709   HD23  LEU  90          HD23      LEU  90  -9.072  -1.392 -11.035
  710    H    LYS  91           HN       LYS  91  -9.989   2.201 -10.028
  711    HA   LYS  91           HA       LYS  91  -9.950   4.991 -10.324
  712    HB2  LYS  91           HB2      LYS  91 -11.963   4.992  -8.957
  713    HB3  LYS  91           HB1      LYS  91 -12.083   4.109 -10.487
  714    HG2  LYS  91           HG2      LYS  91 -11.900   2.003  -9.217
  715    HG3  LYS  91           HG1      LYS  91 -11.735   2.925  -7.720
  716    HD2  LYS  91           HD2      LYS  91 -14.110   3.075  -9.565
  717    HD3  LYS  91           HD1      LYS  91 -14.040   2.048  -8.131
  718    HE2  LYS  91           HE2      LYS  91 -13.789   3.985  -6.703
  719    HE3  LYS  91           HE1      LYS  91 -13.692   5.048  -8.098
  720    HZ1  LYS  91           HZ1      LYS  91 -15.850   5.045  -7.005
  721    HZ2  LYS  91           HZ2      LYS  91 -16.096   3.429  -7.425
  722    HZ3  LYS  91           HZ3      LYS  91 -15.937   4.617  -8.621
  723    H    ILE  92           HN       ILE  92  -8.811   6.305  -9.236
  724    HA   ILE  92           HA       ILE  92  -9.212   6.466  -6.369
  725    HB   ILE  92           HB       ILE  92  -6.425   6.818  -7.565
  726   HG12  ILE  92          HG12      ILE  92  -7.683   4.422  -6.238
  727   HG13  ILE  92          HG11      ILE  92  -6.895   4.513  -7.772
  728   HG21  ILE  92          HG21      ILE  92  -6.899   8.105  -5.538
  729   HG22  ILE  92          HG22      ILE  92  -5.748   6.817  -5.178
  730   HG23  ILE  92          HG23      ILE  92  -7.438   6.641  -4.717
  731   HD11  ILE  92          HD11      ILE  92  -5.439   4.850  -5.179
  732   HD12  ILE  92          HD12      ILE  92  -4.719   4.783  -6.802
  733   HD13  ILE  92          HD13      ILE  92  -5.496   3.361  -6.114
  734    H    THR  93           HN       THR  93  -9.833   8.567  -6.081
  735    HA   THR  93           HA       THR  93  -9.501  10.380  -8.351
  736    HB   THR  93           HB       THR  93 -11.396  10.609  -6.024
  737    HG1  THR  93           HG1      THR  93 -11.290   8.868  -8.103
  738   HG21  THR  93          HG21      THR  93 -11.136  12.623  -7.429
  739   HG22  THR  93          HG22      THR  93 -12.742  11.924  -7.606
  740   HG23  THR  93          HG23      THR  93 -11.531  11.671  -8.862
  741    H    GLY  94           HN       GLY  94  -8.506  12.380  -8.082
  742    HA2  GLY  94           HA2      GLY  94  -7.180  12.823  -5.543
  743    HA3  GLY  94           HA1      GLY  94  -6.766  13.597  -7.080
  744    H    ASP  95           HN       ASP  95  -9.788  13.819  -7.393
  745    HA   ASP  95           HA       ASP  95 -10.002  16.368  -6.142
  746    HB2  ASP  95           HB2      ASP  95 -12.060  14.788  -7.646
  747    HB3  ASP  95           HB1      ASP  95 -12.299  16.425  -7.105
  748    H    THR  96           HN       THR  96 -10.650  16.496  -4.166
  749    HA   THR  96           HA       THR  96 -12.838  15.183  -3.052
  750    HB   THR  96           HB       THR  96 -11.582  13.122  -3.036
  751    HG1  THR  96           HG1      THR  96 -12.597  12.879  -1.238
  752   HG21  THR  96          HG21      THR  96  -9.512  12.830  -1.785
  753   HG22  THR  96          HG22      THR  96  -9.532  14.541  -1.367
  754   HG23  THR  96          HG23      THR  96  -9.306  14.049  -3.052
  755    H    GLU  97           HN       GLU  97  -9.782  16.886  -2.222
  756    HA   GLU  97           HA       GLU  97  -9.325  18.496  -0.735
  757    HB2  GLU  97           HB2      GLU  97 -12.324  18.715  -0.698
  758    HB3  GLU  97           HB1      GLU  97 -11.329  19.688   0.364
  759    HG2  GLU  97           HG2      GLU  97 -11.133  19.665  -2.632
  760    HG3  GLU  97           HG1      GLU  97 -12.034  20.850  -1.691
  761    H    ASN  98           HN       ASN  98  -9.895  15.648   0.161
  762    HA   ASN  98           HA       ASN  98 -10.457  16.174   2.991
  763    HB2  ASN  98           HB2      ASN  98 -10.712  13.669   1.356
  764    HB3  ASN  98           HB1      ASN  98 -10.639  13.584   3.109
  765   HD21  ASN  98          HD21      ASN  98 -12.518  14.453   0.368
  766   HD22  ASN  98          HD22      ASN  98 -13.963  14.846   1.199
  767    H    ASP  99           HN       ASP  99  -9.357  14.078   4.258
  768    HA   ASP  99           HA       ASP  99  -6.447  14.382   3.876
  769    HB2  ASP  99           HB2      ASP  99  -7.470  15.515   5.901
  770    HB3  ASP  99           HB1      ASP  99  -8.056  13.950   6.428
  771    H    SER 100           HN       SER 100  -8.333  12.678   2.728
  772    HA   SER 100           HA       SER 100  -8.783  10.194   3.936
  773    HB2  SER 100           HB2      SER 100 -10.214  11.225   2.239
  774    HB3  SER 100           HB1      SER 100  -8.939  11.051   1.043
  775    HG   SER 100           HG       SER 100  -9.826   8.784   2.416
  776    H    CYS 101           HN       CYS 101  -8.064   8.134   3.256
  777    HA   CYS 101           HA       CYS 101  -5.594   7.941   1.766
  778    HB2  CYS 101           HB2      CYS 101  -5.308   5.968   3.628
  779    HB3  CYS 101           HB1      CYS 101  -4.670   7.616   3.891
  780    H    ALA 102           HN       ALA 102  -5.363   5.732   0.863
  781    HA   ALA 102           HA       ALA 102  -8.046   4.929   0.070
  782    HB1  ALA 102           HB1      ALA 102  -5.464   4.422  -1.419
  783    HB2  ALA 102           HB2      ALA 102  -6.609   5.732  -1.746
  784    HB3  ALA 102           HB3      ALA 102  -7.095   4.074  -1.990
  785    H    ALA 103           HN       ALA 103  -8.637   2.837  -0.248
  786    HA   ALA 103           HA       ALA 103  -7.095   0.711   1.002
  787    HB1  ALA 103           HB1      ALA 103  -9.055  -0.004   2.314
  788    HB2  ALA 103           HB2      ALA 103  -9.936   1.421   1.771
  789    HB3  ALA 103           HB3      ALA 103  -8.513   1.604   2.794
  790    H    ILE 104           HN       ILE 104  -7.599  -1.269   0.203
  791    HA   ILE 104           HA       ILE 104  -8.939  -1.533  -2.400
  792    HB   ILE 104           HB       ILE 104  -7.579  -3.413  -0.482
  793   HG12  ILE 104          HG12      ILE 104  -6.164  -1.851  -1.880
  794   HG13  ILE 104          HG11      ILE 104  -5.742  -3.556  -1.970
  795   HG21  ILE 104          HG21      ILE 104  -7.744  -5.235  -2.190
  796   HG22  ILE 104          HG22      ILE 104  -8.803  -4.201  -3.146
  797   HG23  ILE 104          HG23      ILE 104  -9.313  -4.752  -1.555
  798   HD11  ILE 104          HD11      ILE 104  -7.387  -2.082  -4.017
  799   HD12  ILE 104          HD12      ILE 104  -6.770  -3.753  -4.100
  800   HD13  ILE 104          HD13      ILE 104  -5.649  -2.401  -4.125
  801    H    SER 105           HN       SER 105 -10.962  -1.935  -2.690
  802    HA   SER 105           HA       SER 105 -12.307  -3.766  -0.988
  803    HB2  SER 105           HB2      SER 105 -12.675  -1.478   0.109
  804    HB3  SER 105           HB1      SER 105 -13.554  -1.023  -1.353
  805    HG   SER 105           HG       SER 105 -14.120  -3.082   0.479
  806    H    GLY 106           HN       GLY 106 -12.478  -5.003  -2.663
  807    HA2  GLY 106           HA2      GLY 106 -14.101  -5.792  -4.294
  808    HA3  GLY 106           HA1      GLY 106 -14.259  -4.122  -4.817
  809    H    ASP 107           HN       ASP 107 -13.738  -4.551  -6.893
  810    HA   ASP 107           HA       ASP 107 -10.927  -5.285  -7.461
  811    HB2  ASP 107           HB2      ASP 107 -13.257  -4.823  -9.360
  812    HB3  ASP 107           HB1      ASP 107 -11.639  -5.329  -9.817
  813    H    LYS 108           HN       LYS 108 -11.964  -2.890  -6.194
  814    HA   LYS 108           HA       LYS 108 -11.129  -0.794  -8.083
  815    HB2  LYS 108           HB2      LYS 108 -13.229  -0.468  -5.950
  816    HB3  LYS 108           HB1      LYS 108 -12.821   0.636  -7.245
  817    HG2  LYS 108           HG2      LYS 108 -14.234  -2.007  -7.521
  818    HG3  LYS 108           HG1      LYS 108 -14.971  -0.409  -7.580
  819    HD2  LYS 108           HD2      LYS 108 -13.633   0.096  -9.597
  820    HD3  LYS 108           HD1      LYS 108 -12.969  -1.544  -9.511
  821    HE2  LYS 108           HE2      LYS 108 -15.181  -2.487  -9.773
  822    HE3  LYS 108           HE1      LYS 108 -15.896  -0.876  -9.799
  823    HZ1  LYS 108           HZ1      LYS 108 -15.686  -1.801 -11.996
  824    HZ2  LYS 108           HZ2      LYS 108 -14.040  -2.007 -11.831
  825    HZ3  LYS 108           HZ3      LYS 108 -14.695  -0.450 -11.884
  826    H    VAL 109           HN       VAL 109 -10.520   1.155  -6.767
  827    HA   VAL 109           HA       VAL 109  -9.515   0.402  -4.139
  828    HB   VAL 109           HB       VAL 109  -8.620   2.745  -5.823
  829   HG11  VAL 109          HG11      VAL 109  -6.671   2.767  -4.306
  830   HG12  VAL 109          HG12      VAL 109  -7.375   1.416  -3.419
  831   HG13  VAL 109          HG13      VAL 109  -8.203   2.972  -3.456
  832   HG21  VAL 109          HG21      VAL 109  -6.577   1.479  -6.385
  833   HG22  VAL 109          HG22      VAL 109  -8.039   0.777  -7.069
  834   HG23  VAL 109          HG23      VAL 109  -7.291   0.039  -5.647
  835    H    THR 110           HN       THR 110 -10.156   1.801  -2.506
  836    HA   THR 110           HA       THR 110 -12.044   3.883  -3.294
  837    HB   THR 110           HB       THR 110 -13.464   3.204  -1.315
  838    HG1  THR 110           HG1      THR 110 -11.367   1.385  -1.052
  839   HG21  THR 110          HG21      THR 110 -14.028   2.378  -3.595
  840   HG22  THR 110          HG22      THR 110 -14.465   1.216  -2.338
  841   HG23  THR 110          HG23      THR 110 -13.007   0.969  -3.292
  842    H    PHE 111           HN       PHE 111 -12.421   5.331  -1.163
  843    HA   PHE 111           HA       PHE 111 -10.090   5.312   0.484
  844    HB2  PHE 111           HB2      PHE 111  -9.613   7.780  -0.060
  845    HB3  PHE 111           HB1      PHE 111  -9.059   6.568  -1.205
  846    HD1  PHE 111           HD1      PHE 111 -11.564   9.193  -0.585
  847    HD2  PHE 111           HD2      PHE 111  -9.901   6.483  -3.420
  848    HE1  PHE 111           HE1      PHE 111 -12.759  10.352  -2.396
  849    HE2  PHE 111           HE2      PHE 111 -11.088   7.619  -5.217
  850    HZ   PHE 111           HZ       PHE 111 -12.530   9.568  -4.715
  851    H    GLU 112           HN       GLU 112 -10.297   6.269   2.373
  852    HA   GLU 112           HA       GLU 112 -12.511   7.995   2.913
  853    HB2  GLU 112           HB2      GLU 112 -12.993   6.566   5.030
  854    HB3  GLU 112           HB1      GLU 112 -13.787   6.130   3.503
  855    HG2  GLU 112           HG2      GLU 112 -12.005   4.386   3.282
  856    HG3  GLU 112           HG1      GLU 112 -11.450   4.841   4.899
  857    H    SER 113           HN       SER 113 -12.424   8.265   5.507
  858    HA   SER 113           HA       SER 113  -9.936   9.629   5.921
  859    HB2  SER 113           HB2      SER 113 -12.215   9.079   7.812
  860    HB3  SER 113           HB1      SER 113 -10.958  10.309   7.987
  861    HG   SER 113           HG       SER 113 -12.880  10.147   5.910
  862    H    CYS 114           HN       CYS 114  -8.148   8.844   6.734
  863    HA   CYS 114           HA       CYS 114  -7.370   6.332   7.179
  864    HB2  CYS 114           HB2      CYS 114  -6.391   8.831   8.499
  865    HB3  CYS 114           HB1      CYS 114  -5.473   7.335   8.436
  866    H    ASN 115           HN       ASN 115  -9.128   8.246   9.372
  867    HA   ASN 115           HA       ASN 115  -8.291   6.868  11.743
  868    HB2  ASN 115           HB2      ASN 115  -9.819   8.414  12.920
  869    HB3  ASN 115           HB1      ASN 115  -8.625   9.234  11.925
  870   HD21  ASN 115          HD21      ASN 115  -9.328  10.353  10.017
  871   HD22  ASN 115          HD22      ASN 115 -10.997  10.703   9.794
  872    H    SER 116           HN       SER 116 -10.556   6.010   9.323
  873    HA   SER 116           HA       SER 116 -12.372   4.845  11.182
  874    HB2  SER 116           HB2      SER 116 -13.178   3.676   9.058
  875    HB3  SER 116           HB1      SER 116 -13.286   5.442   9.051
  876    HG   SER 116           HG       SER 116 -12.333   4.233   7.174
  877    H    ASP 117           HN       ASP 117 -12.653   2.496  11.365
  878    HA   ASP 117           HA       ASP 117 -10.016   1.283  11.683
  879    HB2  ASP 117           HB2      ASP 117 -11.680   1.506  13.584
  880    HB3  ASP 117           HB1      ASP 117 -12.704   0.369  12.732
  881    H    ASN 118           HN       ASN 118  -9.382   0.152   9.937
  882    HA   ASN 118           HA       ASN 118 -11.223  -1.757   8.669
  883    HB2  ASN 118           HB2      ASN 118  -9.567   0.274   7.146
  884    HB3  ASN 118           HB1      ASN 118 -10.251  -1.161   6.407
  885   HD21  ASN 118          HD21      ASN 118 -10.839   1.997   7.573
  886   HD22  ASN 118          HD22      ASN 118 -12.443   2.151   6.980
  887    H    ARG 119           HN       ARG 119  -9.794  -3.068   6.977
  888    HA   ARG 119           HA       ARG 119  -7.671  -4.159   8.643
  889    HB2  ARG 119           HB2      ARG 119  -8.589  -5.136   5.907
  890    HB3  ARG 119           HB1      ARG 119  -7.562  -5.971   7.019
  891    HG2  ARG 119           HG2      ARG 119  -9.691  -7.048   7.025
  892    HG3  ARG 119           HG1      ARG 119  -9.505  -6.205   8.562
  893    HD2  ARG 119           HD2      ARG 119 -10.988  -4.533   7.935
  894    HD3  ARG 119           HD1      ARG 119 -10.938  -4.975   6.243
  895    HE   ARG 119           HE       ARG 119 -12.072  -7.120   7.005
  896   HH11  ARG 119          HH11      ARG 119 -12.547  -4.302   9.046
  897   HH12  ARG 119          HH12      ARG 119 -14.230  -4.464   9.163
  898   HH21  ARG 119          HH21      ARG 119 -14.356  -7.422   7.169
  899   HH22  ARG 119          HH22      ARG 119 -15.313  -6.351   8.080
  900    H    TRP 120           HN       TRP 120  -5.561  -4.860   7.095
  901    HA   TRP 120           HA       TRP 120  -5.007  -2.671   5.275
  902    HB2  TRP 120           HB2      TRP 120  -3.116  -1.740   6.426
  903    HB3  TRP 120           HB1      TRP 120  -4.471  -1.737   7.541
  904    HD1  TRP 120           HD1      TRP 120  -0.970  -2.966   7.115
  905    HE1  TRP 120           HE1      TRP 120  -0.203  -4.209   9.187
  906    HE3  TRP 120           HE3      TRP 120  -5.474  -3.386   9.484
  907    HZ2  TRP 120           HZ2      TRP 120  -1.360  -5.274  11.554
  908    HZ3  TRP 120           HZ3      TRP 120  -5.548  -4.533  11.647
  909    HH2  TRP 120           HH2      TRP 120  -3.532  -5.460  12.663
  910    H    ILE 121           HN       ILE 121  -2.783  -2.830   4.300
  911    HA   ILE 121           HA       ILE 121  -1.934  -5.643   4.160
  912    HB   ILE 121           HB       ILE 121  -2.048  -3.661   1.867
  913   HG12  ILE 121          HG12      ILE 121  -3.647  -6.184   2.245
  914   HG13  ILE 121          HG11      ILE 121  -4.252  -4.603   2.701
  915   HG21  ILE 121          HG21      ILE 121  -1.391  -5.558   0.470
  916   HG22  ILE 121          HG22      ILE 121  -1.317  -6.603   1.885
  917   HG23  ILE 121          HG23      ILE 121  -0.170  -5.277   1.712
  918   HD11  ILE 121          HD11      ILE 121  -4.095  -3.869   0.392
  919   HD12  ILE 121          HD12      ILE 121  -5.072  -5.340   0.504
  920   HD13  ILE 121          HD13      ILE 121  -3.393  -5.419  -0.056
  921    H    CYS 122           HN       CYS 122   0.072  -5.929   4.633
  922    HA   CYS 122           HA       CYS 122   2.014  -3.694   4.661
  923    HB2  CYS 122           HB2      CYS 122   2.021  -6.421   5.934
  924    HB3  CYS 122           HB1      CYS 122   3.376  -5.323   6.015
  925    H    GLN 123           HN       GLN 123   3.882  -3.830   3.434
  926    HA   GLN 123           HA       GLN 123   4.301  -6.371   2.097
  927    HB2  GLN 123           HB2      GLN 123   4.946  -5.437   0.040
  928    HB3  GLN 123           HB1      GLN 123   3.510  -4.518   0.448
  929    HG2  GLN 123           HG2      GLN 123   4.793  -2.604   1.006
  930    HG3  GLN 123           HG1      GLN 123   6.287  -3.535   1.045
  931   HE21  GLN 123          HE21      GLN 123   7.348  -2.325  -0.471
  932   HE22  GLN 123          HE22      GLN 123   6.908  -2.242  -2.121
  933    H    LYS 124           HN       LYS 124   6.303  -7.013   2.137
  934    HA   LYS 124           HA       LYS 124   8.209  -5.271   3.542
  935    HB2  LYS 124           HB2      LYS 124   7.709  -7.437   4.678
  936    HB3  LYS 124           HB1      LYS 124   8.253  -8.277   3.235
  937    HG2  LYS 124           HG2      LYS 124  10.459  -7.096   3.514
  938    HG3  LYS 124           HG1      LYS 124   9.888  -6.606   5.109
  939    HD2  LYS 124           HD2      LYS 124  10.002  -9.478   4.199
  940    HD3  LYS 124           HD1      LYS 124  11.295  -8.568   5.019
  941    HE2  LYS 124           HE2      LYS 124   8.602  -8.746   6.252
  942    HE3  LYS 124           HE1      LYS 124   9.754 -10.088   6.375
  943    HZ1  LYS 124           HZ1      LYS 124  10.351  -7.262   7.191
  944    HZ2  LYS 124           HZ2      LYS 124  11.364  -8.587   7.342
  945    HZ3  LYS 124           HZ3      LYS 124   9.971  -8.509   8.260
  946    H    GLU 125           HN       GLU 125   9.606  -4.388   2.111
  947    HA   GLU 125           HA       GLU 125   9.899  -5.560  -0.442
  948    HB2  GLU 125           HB2      GLU 125  10.230  -3.131  -0.126
  949    HB3  GLU 125           HB1      GLU 125  11.661  -3.462   0.847
  950    HG2  GLU 125           HG2      GLU 125  12.793  -4.415  -1.034
  951    HG3  GLU 125           HG1      GLU 125  11.334  -4.316  -2.015
  952    H    LEU 126           HN       LEU 126  11.014  -7.130  -0.987
  953    HA   LEU 126           HA       LEU 126  12.319  -8.707   0.963
  954    HB2  LEU 126           HB2      LEU 126  10.822  -9.351  -1.006
  955    HB3  LEU 126           HB1      LEU 126  12.238  -9.101  -1.996
  956    HG   LEU 126           HG       LEU 126  13.333 -10.971  -1.102
  957   HD11  LEU 126          HD11      LEU 126  11.046 -11.046   0.834
  958   HD12  LEU 126          HD12      LEU 126  12.721 -10.640   1.274
  959   HD13  LEU 126          HD13      LEU 126  12.306 -12.275   0.730
  960   HD21  LEU 126          HD21      LEU 126  11.766 -12.693  -1.621
  961   HD22  LEU 126          HD22      LEU 126  11.530 -11.305  -2.704
  962   HD23  LEU 126          HD23      LEU 126  10.423 -11.581  -1.349
  963    H    TYR 127           HN       TYR 127  13.216  -6.508  -1.443
  964    HA   TYR 127           HA       TYR 127  15.970  -7.202  -1.585
  965    HB2  TYR 127           HB2      TYR 127  14.303  -5.136  -2.794
  966    HB3  TYR 127           HB1      TYR 127  15.976  -4.650  -2.506
  967    HD1  TYR 127           HD1      TYR 127  14.109  -7.622  -3.793
  968    HD2  TYR 127           HD2      TYR 127  17.495  -5.083  -4.162
  969    HE1  TYR 127           HE1      TYR 127  14.822  -8.873  -5.754
  970    HE2  TYR 127           HE2      TYR 127  18.226  -6.340  -6.144
  971    HH   TYR 127           HH       TYR 127  17.873  -8.699  -7.000
  972    H    HIS 128           HN       HIS 128  14.884  -6.643   1.070
  973    HA   HIS 128           HA       HIS 128  16.561  -4.560   2.115
  974    HB2  HIS 128           HB2      HIS 128  14.588  -5.364   3.395
  975    HB3  HIS 128           HB1      HIS 128  15.273  -6.979   3.449
  976    HD1  HIS 128           HD1      HIS 128  16.396  -7.514   5.576
  977    HD2  HIS 128           HD2      HIS 128  16.388  -3.422   4.860
  978    HE1  HIS 128           HE1      HIS 128  17.509  -6.491   7.561
  979    HE2  HIS 128           HE2      HIS 128  17.075  -4.068   7.289
  980    H    GLU 129           HN       GLU 129  16.777  -7.803   1.095
  981    HA   GLU 129           HA       GLU 129  18.412  -9.143   0.486
  982    HB2  GLU 129           HB2      GLU 129  20.277  -6.866   1.111
  983    HB3  GLU 129           HB1      GLU 129  20.726  -8.342   0.277
  984    HG2  GLU 129           HG2      GLU 129  19.074  -7.783  -1.488
  985    HG3  GLU 129           HG1      GLU 129  18.788  -6.245  -0.675
  986    H    THR 130           HN       THR 130  20.082 -10.526   1.161
  987    HA   THR 130           HA       THR 130  20.029 -10.908   4.015
  988    HB   THR 130           HB       THR 130  21.332 -12.646   1.894
  989    HG1  THR 130           HG1      THR 130  19.358 -13.776   1.843
  990   HG21  THR 130          HG21      THR 130  21.055 -14.413   3.601
  991   HG22  THR 130          HG22      THR 130  20.308 -13.231   4.684
  992   HG23  THR 130          HG23      THR 130  21.999 -13.063   4.241
  993    H    LEU 131           HN       LEU 131  21.402  -9.537   4.913
  994    HA   LEU 131           HA       LEU 131  23.876  -8.734   3.735
  995    HB2  LEU 131           HB2      LEU 131  24.183  -7.325   5.637
  996    HB3  LEU 131           HB1      LEU 131  22.515  -7.219   5.141
  997    HG   LEU 131           HG       LEU 131  23.528  -8.781   7.533
  998   HD11  LEU 131          HD11      LEU 131  23.779  -6.404   7.861
  999   HD12  LEU 131          HD12      LEU 131  22.475  -7.033   8.869
 1000   HD13  LEU 131          HD13      LEU 131  22.098  -6.139   7.399
 1001   HD21  LEU 131          HD21      LEU 131  21.145  -8.920   8.191
 1002   HD22  LEU 131          HD22      LEU 131  21.456  -9.764   6.680
 1003   HD23  LEU 131          HD23      LEU 131  20.686  -8.175   6.657
 1004    H    SER 132           HN       SER 132  25.964  -8.929   4.759
 1005    HA   SER 132           HA       SER 132  27.690  -9.917   5.759
 1006    HB2  SER 132           HB2      SER 132  25.635 -11.378   7.421
 1007    HB3  SER 132           HB1      SER 132  27.350 -11.242   7.800
 1008    HG   SER 132           HG       SER 132  26.957  -8.916   7.715
 1009    H    ASN 133           HN       ASN 133  26.249 -11.037   3.458
 1010    HA   ASN 133           HA       ASN 133  26.392 -12.755   1.947
 1011    HB2  ASN 133           HB2      ASN 133  28.764 -13.639   3.624
 1012    HB3  ASN 133           HB1      ASN 133  28.339 -14.305   2.058
 1013   HD21  ASN 133          HD21      ASN 133  30.760 -13.067   2.928
 1014   HD22  ASN 133          HD22      ASN 133  31.063 -11.718   1.904
 1015    H    TYR 134           HN       TYR 134  27.566 -14.742   4.516
 1016    HA   TYR 134           HA       TYR 134  25.073 -16.166   4.785
 1017    HB2  TYR 134           HB2      TYR 134  27.642 -17.395   3.784
 1018    HB3  TYR 134           HB1      TYR 134  26.265 -18.349   4.353
 1019    HD1  TYR 134           HD1      TYR 134  24.122 -18.209   2.965
 1020    HD2  TYR 134           HD2      TYR 134  27.844 -16.672   1.597
 1021    HE1  TYR 134           HE1      TYR 134  23.283 -18.232   0.651
 1022    HE2  TYR 134           HE2      TYR 134  27.018 -16.681  -0.704
 1023    HH   TYR 134           HH       TYR 134  23.754 -17.066  -1.458
 1024    H    VAL 135           HN       VAL 135  25.270 -17.584   6.678
 1025    HA   VAL 135           HA       VAL 135  26.995 -16.406   8.660
 1026    HB   VAL 135           HB       VAL 135  25.089 -18.747   8.969
 1027   HG11  VAL 135          HG11      VAL 135  26.265 -16.896  11.039
 1028   HG12  VAL 135          HG12      VAL 135  26.699 -18.585  10.791
 1029   HG13  VAL 135          HG13      VAL 135  25.078 -18.162  11.347
 1030   HG21  VAL 135          HG21      VAL 135  24.578 -15.810   9.426
 1031   HG22  VAL 135          HG22      VAL 135  23.459 -17.116   9.816
 1032   HG23  VAL 135          HG23      VAL 135  23.891 -16.796   8.136
 1033    H    GLY 136           HN       GLY 136  26.785 -19.383   6.833
 1034    HA2  GLY 136           HA2      GLY 136  29.084 -20.294   6.364
 1035    HA3  GLY 136           HA1      GLY 136  29.314 -20.234   8.107
 1036    H    TYR 137           HN       TYR 137  26.355 -20.999   8.173
 1037    HA   TYR 137           HA       TYR 137  25.054 -22.793   8.483
 1038    HB2  TYR 137           HB2      TYR 137  26.706 -24.041   6.270
 1039    HB3  TYR 137           HB1      TYR 137  25.243 -24.754   6.940
 1040    HD1  TYR 137           HD2      TYR 137  23.065 -23.627   6.613
 1041    HD2  TYR 137           HD1      TYR 137  26.603 -22.260   4.699
 1042    HE1  TYR 137           HE2      TYR 137  21.701 -22.315   5.044
 1043    HE2  TYR 137           HE1      TYR 137  25.247 -20.941   3.124
 1044    HH   TYR 137           HH       TYR 137  21.920 -20.371   3.599
 1045    H    GLY 138           HN       GLY 138  27.980 -24.646   7.792
 1046    HA2  GLY 138           HA2      GLY 138  27.673 -25.827  10.471
 1047    HA3  GLY 138           HA1      GLY 138  28.369 -26.654   9.083
 1048    H    HIS 139           HN       HIS 139  29.500 -23.591   8.920
 1049    HA   HIS 139           HA       HIS 139  31.654 -24.012  10.812
 1050    HB2  HIS 139           HB2      HIS 139  32.474 -24.948   8.660
 1051    HB3  HIS 139           HB1      HIS 139  32.149 -23.411   7.874
 1052    HD1  HIS 139           HD1      HIS 139  34.568 -25.125  10.084
 1053    HD2  HIS 139           HD2      HIS 139  34.012 -21.329   8.519
 1054    HE1  HIS 139           HE1      HIS 139  36.703 -23.893  10.527
 1055    HE2  HIS 139           HE2      HIS 139  36.246 -21.540   9.758
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1  14.885 -12.789 -12.786
    2    H2   SER   1           HT2      SER   1  15.985 -11.521 -13.073
    3    H3   SER   1           HT3      SER   1  14.321 -11.210 -12.975
    4    HA   SER   1           HA       SER   1  15.936 -12.267 -10.788
    5    HB2  SER   1           HB2      SER   1  16.461  -9.876 -11.471
    6    HB3  SER   1           HB1      SER   1  14.776  -9.484 -11.144
    7    HG   SER   1           HG       SER   1  16.815 -10.269  -9.380
    8    H    ALA   2           HN       ALA   2  14.743 -12.819  -9.006
    9    HA   ALA   2           HA       ALA   2  11.857 -12.410  -9.078
   10    HB1  ALA   2           HB1      ALA   2  13.264 -15.029  -8.487
   11    HB2  ALA   2           HB2      ALA   2  12.274 -14.687  -9.902
   12    HB3  ALA   2           HB3      ALA   2  11.537 -14.732  -8.299
   13    H    LYS   3           HN       LYS   3  10.966 -12.844  -6.855
   14    HA   LYS   3           HA       LYS   3  12.551 -11.466  -4.963
   15    HB2  LYS   3           HB2      LYS   3  10.685 -11.297  -3.652
   16    HB3  LYS   3           HB1      LYS   3   9.966 -11.474  -5.242
   17    HG2  LYS   3           HG2      LYS   3  10.302 -13.592  -3.163
   18    HG3  LYS   3           HG1      LYS   3   8.808 -12.758  -3.593
   19    HD2  LYS   3           HD2      LYS   3   8.669 -13.826  -5.669
   20    HD3  LYS   3           HD1      LYS   3  10.376 -14.287  -5.642
   21    HE2  LYS   3           HE2      LYS   3   8.233 -15.318  -3.847
   22    HE3  LYS   3           HE1      LYS   3   8.925 -16.155  -5.268
   23    HZ1  LYS   3           HZ1      LYS   3   9.907 -16.959  -3.188
   24    HZ2  LYS   3           HZ2      LYS   3  10.428 -15.419  -2.782
   25    HZ3  LYS   3           HZ3      LYS   3  11.055 -16.192  -4.139
   26    H    LEU   4           HN       LEU   4  12.865 -12.188  -2.753
   27    HA   LEU   4           HA       LEU   4  14.028 -14.841  -2.728
   28    HB2  LEU   4           HB2      LEU   4  14.260 -12.563  -0.730
   29    HB3  LEU   4           HB1      LEU   4  15.166 -14.056  -0.660
   30    HG   LEU   4           HG       LEU   4  16.076 -13.268  -3.028
   31   HD11  LEU   4          HD11      LEU   4  16.271 -10.947  -3.343
   32   HD12  LEU   4          HD12      LEU   4  15.329 -10.626  -1.902
   33   HD13  LEU   4          HD13      LEU   4  14.566 -11.405  -3.293
   34   HD21  LEU   4          HD21      LEU   4  17.460 -13.551  -1.038
   35   HD22  LEU   4          HD22      LEU   4  16.956 -11.962  -0.461
   36   HD23  LEU   4          HD23      LEU   4  17.917 -12.103  -1.934
   37    H    GLU   5           HN       GLU   5  13.790 -15.380   0.097
   38    HA   GLU   5           HA       GLU   5  10.998 -16.100   0.028
   39    HB2  GLU   5           HB2      GLU   5  13.177 -17.020   1.880
   40    HB3  GLU   5           HB1      GLU   5  11.509 -17.567   1.966
   41    HG2  GLU   5           HG2      GLU   5  13.426 -17.970  -0.318
   42    HG3  GLU   5           HG1      GLU   5  12.778 -19.202   0.769
   43    H    CYS   6           HN       CYS   6   9.480 -15.730   1.462
   44    HA   CYS   6           HA       CYS   6   9.804 -13.424   3.250
   45    HB2  CYS   6           HB2      CYS   6   7.367 -14.676   1.979
   46    HB3  CYS   6           HB1      CYS   6   7.393 -13.206   2.947
   47    HA   PRO   7           HA       PRO   7   8.643 -15.978   6.830
   48    HB2  PRO   7           HB2      PRO   7   6.703 -13.913   7.650
   49    HB3  PRO   7           HB1      PRO   7   8.145 -14.492   8.500
   50    HG2  PRO   7           HG2      PRO   7   8.083 -12.070   7.429
   51    HG3  PRO   7           HG1      PRO   7   9.556 -13.056   7.442
   52    HD2  PRO   7           HD2      PRO   7   7.678 -12.520   5.202
   53    HD3  PRO   7           HD1      PRO   7   9.457 -12.596   5.249
   54    H    GLN   8           HN       GLN   8   6.796 -16.968   7.873
   55    HA   GLN   8           HA       GLN   8   5.131 -18.362   6.144
   56    HB2  GLN   8           HB2      GLN   8   4.101 -19.276   8.135
   57    HB3  GLN   8           HB1      GLN   8   5.846 -19.159   8.326
   58    HG2  GLN   8           HG2      GLN   8   5.498 -17.033   9.588
   59    HG3  GLN   8           HG1      GLN   8   3.774 -17.322   9.501
   60   HE21  GLN   8          HE21      GLN   8   6.753 -18.340  10.873
   61   HE22  GLN   8          HE22      GLN   8   6.101 -19.347  12.105
   62    H    ASP   9           HN       ASP   9   4.481 -15.279   7.550
   63    HA   ASP   9           HA       ASP   9   1.572 -15.564   7.515
   64    HB2  ASP   9           HB2      ASP   9   3.174 -13.022   7.871
   65    HB3  ASP   9           HB1      ASP   9   1.476 -13.238   8.246
   66    H    TRP  10           HN       TRP  10   3.905 -14.958   5.192
   67    HA   TRP  10           HA       TRP  10   2.342 -12.829   3.880
   68    HB2  TRP  10           HB2      TRP  10   5.292 -13.384   3.702
   69    HB3  TRP  10           HB1      TRP  10   4.414 -12.079   2.916
   70    HD1  TRP  10           HD1      TRP  10   5.136 -13.293   6.521
   71    HE1  TRP  10           HE1      TRP  10   5.360 -11.243   8.027
   72    HE3  TRP  10           HE3      TRP  10   4.137  -9.694   3.080
   73    HZ2  TRP  10           HZ2      TRP  10   5.147  -8.462   7.773
   74    HZ3  TRP  10           HZ3      TRP  10   4.177  -7.354   3.801
   75    HH2  TRP  10           HH2      TRP  10   4.673  -6.759   6.098
   76    H    LEU  11           HN       LEU  11   2.270 -12.746   1.661
   77    HA   LEU  11           HA       LEU  11   2.825 -15.214   0.142
   78    HB2  LEU  11           HB2      LEU  11   1.489 -12.657  -0.833
   79    HB3  LEU  11           HB1      LEU  11   1.584 -14.165  -1.700
   80    HG   LEU  11           HG       LEU  11  -0.605 -14.049  -1.071
   81   HD11  LEU  11          HD11      LEU  11   0.675 -15.678   1.077
   82   HD12  LEU  11          HD12      LEU  11   0.212 -16.202  -0.544
   83   HD13  LEU  11          HD13      LEU  11  -1.027 -15.731   0.621
   84   HD21  LEU  11          HD21      LEU  11  -0.490 -12.121   0.364
   85   HD22  LEU  11          HD22      LEU  11   0.209 -13.087   1.668
   86   HD23  LEU  11          HD23      LEU  11  -1.450 -13.387   1.129
   87    H    SER  12           HN       SER  12   3.755 -14.461  -2.212
   88    HA   SER  12           HA       SER  12   5.644 -12.310  -1.771
   89    HB2  SER  12           HB2      SER  12   7.478 -13.812  -2.628
   90    HB3  SER  12           HB1      SER  12   6.854 -14.220  -1.033
   91    HG   SER  12           HG       SER  12   5.803 -15.919  -1.831
   92    H    HIS  13           HN       HIS  13   5.965 -11.057  -3.551
   93    HA   HIS  13           HA       HIS  13   5.414 -12.143  -6.192
   94    HB2  HIS  13           HB2      HIS  13   3.218 -11.356  -5.462
   95    HB3  HIS  13           HB1      HIS  13   3.902  -9.795  -5.043
   96    HD1  HIS  13           HD1      HIS  13   3.697  -7.978  -6.865
   97    HD2  HIS  13           HD2      HIS  13   3.357 -11.854  -8.417
   98    HE1  HIS  13           HE1      HIS  13   2.988  -7.733  -9.202
   99    HE2  HIS  13           HE2      HIS  13   2.751 -10.034 -10.127
  100    H    ARG  14           HN       ARG  14   6.988 -11.504  -7.474
  101    HA   ARG  14           HA       ARG  14   8.484 -10.333  -8.594
  102    HB2  ARG  14           HB2      ARG  14   7.094  -7.937  -7.396
  103    HB3  ARG  14           HB1      ARG  14   8.399  -7.807  -8.563
  104    HG2  ARG  14           HG2      ARG  14   5.870  -9.342  -9.121
  105    HG3  ARG  14           HG1      ARG  14   6.030  -7.623  -9.457
  106    HD2  ARG  14           HD2      ARG  14   6.404  -8.981 -11.437
  107    HD3  ARG  14           HD1      ARG  14   7.858  -8.082 -11.018
  108    HE   ARG  14           HE       ARG  14   7.429 -10.982 -10.611
  109   HH11  ARG  14          HH11      ARG  14   9.629  -8.261 -11.165
  110   HH12  ARG  14          HH12      ARG  14  11.008  -9.232 -11.334
  111   HH21  ARG  14          HH21      ARG  14   9.324 -12.285 -10.808
  112   HH22  ARG  14          HH22      ARG  14  10.855 -11.578 -11.139
  113    H    ASP  15           HN       ASP  15   8.383  -8.373  -5.686
  114    HA   ASP  15           HA       ASP  15  10.905  -9.391  -4.786
  115    HB2  ASP  15           HB2      ASP  15  12.122  -7.236  -4.862
  116    HB3  ASP  15           HB1      ASP  15  11.751  -7.874  -6.440
  117    H    LYS  16           HN       LYS  16   8.059  -8.921  -3.879
  118    HA   LYS  16           HA       LYS  16   8.712  -7.824  -1.309
  119    HB2  LYS  16           HB2      LYS  16   6.217  -6.807  -2.687
  120    HB3  LYS  16           HB1      LYS  16   6.770  -6.414  -1.093
  121    HG2  LYS  16           HG2      LYS  16   7.301  -4.488  -2.252
  122    HG3  LYS  16           HG1      LYS  16   8.829  -5.364  -2.274
  123    HD2  LYS  16           HD2      LYS  16   8.419  -4.468  -4.473
  124    HD3  LYS  16           HD1      LYS  16   8.232  -6.218  -4.527
  125    HE2  LYS  16           HE2      LYS  16   6.406  -5.282  -5.774
  126    HE3  LYS  16           HE1      LYS  16   5.808  -5.877  -4.223
  127    HZ1  LYS  16           HZ1      LYS  16   4.899  -3.810  -4.912
  128    HZ2  LYS  16           HZ2      LYS  16   6.392  -3.026  -4.691
  129    HZ3  LYS  16           HZ3      LYS  16   5.577  -3.725  -3.383
  130    H    CYS  17           HN       CYS  17   7.447  -8.613   0.261
  131    HA   CYS  17           HA       CYS  17   5.771 -10.926  -0.332
  132    HB2  CYS  17           HB2      CYS  17   6.441  -9.788   2.366
  133    HB3  CYS  17           HB1      CYS  17   6.029 -11.436   1.934
  134    H    PHE  18           HN       PHE  18   3.563 -10.892   0.343
  135    HA   PHE  18           HA       PHE  18   2.611  -8.218   1.150
  136    HB2  PHE  18           HB2      PHE  18   1.102 -10.224  -0.528
  137    HB3  PHE  18           HB1      PHE  18   0.479  -8.679   0.022
  138    HD1  PHE  18           HD2      PHE  18   2.904  -6.972  -0.500
  139    HD2  PHE  18           HD1      PHE  18   1.029 -10.002  -2.792
  140    HE1  PHE  18           HE2      PHE  18   3.787  -5.941  -2.541
  141    HE2  PHE  18           HE1      PHE  18   1.912  -8.967  -4.865
  142    HZ   PHE  18           HZ       PHE  18   3.291  -6.934  -4.725
  143    H    HIS  19           HN       HIS  19   1.168  -8.069   2.744
  144    HA   HIS  19           HA       HIS  19   0.210 -10.573   3.936
  145    HB2  HIS  19           HB2      HIS  19   2.119  -9.598   5.287
  146    HB3  HIS  19           HB1      HIS  19   1.129  -8.170   5.517
  147    HD1  HIS  19           HD1      HIS  19  -0.475  -8.190   7.535
  148    HD2  HIS  19           HD2      HIS  19   0.931 -11.974   6.520
  149    HE1  HIS  19           HE1      HIS  19  -1.174  -9.659   9.361
  150    HE2  HIS  19           HE2      HIS  19  -0.684 -11.963   8.517
  151    H    VAL  20           HN       VAL  20  -1.902 -10.463   3.542
  152    HA   VAL  20           HA       VAL  20  -3.279  -7.899   3.685
  153    HB   VAL  20           HB       VAL  20  -4.375 -10.657   3.003
  154   HG11  VAL  20          HG11      VAL  20  -5.652  -7.934   2.720
  155   HG12  VAL  20          HG12      VAL  20  -6.081  -9.157   3.914
  156   HG13  VAL  20          HG13      VAL  20  -6.358  -9.467   2.203
  157   HG21  VAL  20          HG21      VAL  20  -2.781  -9.851   1.320
  158   HG22  VAL  20          HG22      VAL  20  -3.703  -8.348   1.184
  159   HG23  VAL  20          HG23      VAL  20  -4.428  -9.875   0.688
  160    H    SER  21           HN       SER  21  -3.350  -7.369   5.773
  161    HA   SER  21           HA       SER  21  -3.887  -9.257   7.843
  162    HB2  SER  21           HB2      SER  21  -3.952  -6.245   7.995
  163    HB3  SER  21           HB1      SER  21  -3.600  -7.387   9.285
  164    HG   SER  21           HG       SER  21  -1.886  -6.156   7.949
  165    H    GLN  22           HN       GLN  22  -6.002 -10.044   7.869
  166    HA   GLN  22           HA       GLN  22  -8.215  -8.386   7.092
  167    HB2  GLN  22           HB2      GLN  22  -8.132 -11.189   8.194
  168    HB3  GLN  22           HB1      GLN  22  -9.623 -10.362   7.785
  169    HG2  GLN  22           HG2      GLN  22  -7.387 -10.920   5.846
  170    HG3  GLN  22           HG1      GLN  22  -8.834 -11.904   6.018
  171   HE21  GLN  22          HE21      GLN  22 -10.613  -9.562   6.387
  172   HE22  GLN  22          HE22      GLN  22 -10.794  -8.833   4.851
  173    H    VAL  23           HN       VAL  23  -6.603  -7.812   9.477
  174    HA   VAL  23           HA       VAL  23  -8.715  -7.746  11.511
  175    HB   VAL  23           HB       VAL  23  -6.824  -7.148  13.158
  176   HG11  VAL  23          HG11      VAL  23  -6.784  -9.872  11.869
  177   HG12  VAL  23          HG12      VAL  23  -7.880  -9.328  13.144
  178   HG13  VAL  23          HG13      VAL  23  -6.154  -9.482  13.471
  179   HG21  VAL  23          HG21      VAL  23  -5.119  -8.250  10.923
  180   HG22  VAL  23          HG22      VAL  23  -4.565  -7.882  12.557
  181   HG23  VAL  23          HG23      VAL  23  -5.116  -6.583  11.499
  182    H    SER  24           HN       SER  24  -9.022  -5.717  12.631
  183    HA   SER  24           HA       SER  24  -8.483  -3.639  10.687
  184    HB2  SER  24           HB2      SER  24 -10.789  -3.851  12.606
  185    HB3  SER  24           HB1      SER  24 -10.541  -2.609  11.384
  186    HG   SER  24           HG       SER  24 -11.619  -5.010  11.074
  187    H    ASN  25           HN       ASN  25  -7.950  -1.661  11.178
  188    HA   ASN  25           HA       ASN  25  -7.134  -0.686  13.795
  189    HB2  ASN  25           HB2      ASN  25  -5.298  -1.604  11.621
  190    HB3  ASN  25           HB1      ASN  25  -4.895  -0.110  12.435
  191   HD21  ASN  25          HD21      ASN  25  -2.949  -1.181  12.983
  192   HD22  ASN  25          HD22      ASN  25  -2.843  -2.268  14.283
  193    H    THR  26           HN       THR  26  -6.258   1.627  13.350
  194    HA   THR  26           HA       THR  26  -7.615   2.778  11.079
  195    HB   THR  26           HB       THR  26  -6.616   4.943  11.877
  196    HG1  THR  26           HG1      THR  26  -5.650   3.408  14.060
  197   HG21  THR  26          HG21      THR  26  -8.038   3.345  14.019
  198   HG22  THR  26          HG22      THR  26  -8.795   4.320  12.749
  199   HG23  THR  26          HG23      THR  26  -7.857   5.099  14.010
  200    H    TRP  27           HN       TRP  27  -6.284   4.204   9.601
  201    HA   TRP  27           HA       TRP  27  -4.486   2.680   8.134
  202    HB2  TRP  27           HB2      TRP  27  -5.660   4.562   7.148
  203    HB3  TRP  27           HB1      TRP  27  -4.824   5.684   8.207
  204    HD1  TRP  27           HD1      TRP  27  -4.340   3.684   4.995
  205    HE1  TRP  27           HE1      TRP  27  -2.234   4.499   3.814
  206    HE3  TRP  27           HE3      TRP  27  -2.592   6.747   8.634
  207    HZ2  TRP  27           HZ2      TRP  27  -0.053   6.294   4.378
  208    HZ3  TRP  27           HZ3      TRP  27  -0.555   7.962   8.320
  209    HH2  TRP  27           HH2      TRP  27   0.742   7.768   6.197
  210    H    GLU  28           HN       GLU  28  -3.764   5.205  10.476
  211    HA   GLU  28           HA       GLU  28  -0.973   5.317  10.105
  212    HB2  GLU  28           HB2      GLU  28  -2.579   5.955  12.556
  213    HB3  GLU  28           HB1      GLU  28  -0.961   6.549  12.213
  214    HG2  GLU  28           HG2      GLU  28  -1.812   7.876  10.400
  215    HG3  GLU  28           HG1      GLU  28  -3.410   7.142  10.569
  216    H    GLU  29           HN       GLU  29  -3.003   3.389  12.233
  217    HA   GLU  29           HA       GLU  29  -0.934   2.258  13.810
  218    HB2  GLU  29           HB2      GLU  29  -3.682   1.300  13.142
  219    HB3  GLU  29           HB1      GLU  29  -2.627   0.495  14.286
  220    HG2  GLU  29           HG2      GLU  29  -2.674   2.419  15.705
  221    HG3  GLU  29           HG1      GLU  29  -3.656   3.300  14.519
  222    H    GLY  30           HN       GLY  30  -2.707   1.163  10.933
  223    HA2  GLY  30           HA2      GLY  30  -1.468  -1.360  10.730
  224    HA3  GLY  30           HA1      GLY  30  -2.216  -0.536   9.391
  225    H    LEU  31           HN       LEU  31  -0.552   1.776   9.541
  226    HA   LEU  31           HA       LEU  31   1.652   1.159   7.961
  227    HB2  LEU  31           HB2      LEU  31   0.542   3.433   8.451
  228    HB3  LEU  31           HB1      LEU  31   1.474   3.465   9.918
  229    HG   LEU  31           HG       LEU  31   2.617   3.535   7.112
  230   HD11  LEU  31          HD11      LEU  31   1.406   5.553   7.681
  231   HD12  LEU  31          HD12      LEU  31   3.148   5.857   7.643
  232   HD13  LEU  31          HD13      LEU  31   2.317   5.673   9.189
  233   HD21  LEU  31          HD21      LEU  31   4.164   2.532   8.742
  234   HD22  LEU  31          HD22      LEU  31   4.014   3.968   9.760
  235   HD23  LEU  31          HD23      LEU  31   4.742   4.089   8.153
  236    H    VAL  32           HN       VAL  32   1.456   1.792  11.455
  237    HA   VAL  32           HA       VAL  32   4.158   1.275  12.028
  238    HB   VAL  32           HB       VAL  32   1.790   1.121  13.922
  239   HG11  VAL  32          HG11      VAL  32   3.754   0.002  14.846
  240   HG12  VAL  32          HG12      VAL  32   3.435   1.503  15.712
  241   HG13  VAL  32          HG13      VAL  32   4.735   1.430  14.524
  242   HG21  VAL  32          HG21      VAL  32   1.951   3.295  12.850
  243   HG22  VAL  32          HG22      VAL  32   3.660   3.389  13.274
  244   HG23  VAL  32          HG23      VAL  32   2.434   3.422  14.546
  245    H    ASP  33           HN       ASP  33   1.282  -0.773  12.087
  246    HA   ASP  33           HA       ASP  33   2.410  -3.056  13.218
  247    HB2  ASP  33           HB2      ASP  33   0.025  -2.541  11.587
  248    HB3  ASP  33           HB1      ASP  33   0.573  -4.202  11.560
  249    H    CYS  34           HN       CYS  34   2.416  -2.044   9.865
  250    HA   CYS  34           HA       CYS  34   3.699  -4.370   8.881
  251    HB2  CYS  34           HB2      CYS  34   3.835  -1.541   7.849
  252    HB3  CYS  34           HB1      CYS  34   4.277  -2.911   6.896
  253    H    ASP  35           HN       ASP  35   4.900  -1.334  10.228
  254    HA   ASP  35           HA       ASP  35   7.627  -1.761   9.693
  255    HB2  ASP  35           HB2      ASP  35   6.152   0.001  11.606
  256    HB3  ASP  35           HB1      ASP  35   7.867  -0.260  11.887
  257    H    GLY  36           HN       GLY  36   5.512  -2.939  12.166
  258    HA2  GLY  36           HA2      GLY  36   7.500  -3.882  13.979
  259    HA3  GLY  36           HA1      GLY  36   5.802  -4.337  13.946
  260    H    LYS  37           HN       LYS  37   6.313  -5.047  10.993
  261    HA   LYS  37           HA       LYS  37   7.130  -7.818  11.493
  262    HB2  LYS  37           HB2      LYS  37   6.354  -6.654   8.816
  263    HB3  LYS  37           HB1      LYS  37   6.333  -8.303   9.344
  264    HG2  LYS  37           HG2      LYS  37   4.447  -6.231  10.466
  265    HG3  LYS  37           HG1      LYS  37   4.043  -7.270   9.109
  266    HD2  LYS  37           HD2      LYS  37   4.792  -8.158  11.868
  267    HD3  LYS  37           HD1      LYS  37   3.149  -8.071  11.252
  268    HE2  LYS  37           HE2      LYS  37   3.644  -9.727   9.515
  269    HE3  LYS  37           HE1      LYS  37   5.307  -9.841  10.087
  270    HZ1  LYS  37           HZ1      LYS  37   4.498 -10.768  12.152
  271    HZ2  LYS  37           HZ2      LYS  37   3.882 -11.692  10.866
  272    HZ3  LYS  37           HZ3      LYS  37   2.902 -10.578  11.657
  273    H    GLY  38           HN       GLY  38   8.484  -4.880  10.649
  274    HA2  GLY  38           HA2      GLY  38  10.581  -4.336   9.803
  275    HA3  GLY  38           HA1      GLY  38  10.837  -6.050   9.433
  276    H    ALA  39           HN       ALA  39   8.023  -4.240   8.536
  277    HA   ALA  39           HA       ALA  39   8.743  -4.494   5.729
  278    HB1  ALA  39           HB1      ALA  39   6.121  -5.188   7.009
  279    HB2  ALA  39           HB2      ALA  39   7.289  -6.355   6.340
  280    HB3  ALA  39           HB3      ALA  39   6.462  -5.215   5.282
  281    H    THR  40           HN       THR  40   6.933  -3.284   4.488
  282    HA   THR  40           HA       THR  40   6.481  -0.731   5.828
  283    HB   THR  40           HB       THR  40   6.337   0.026   3.339
  284    HG1  THR  40           HG1      THR  40   6.656  -2.381   2.823
  285   HG21  THR  40          HG21      THR  40   8.971  -0.686   4.640
  286   HG22  THR  40          HG22      THR  40   8.026   0.773   4.919
  287   HG23  THR  40          HG23      THR  40   8.746   0.493   3.333
  288    H    LEU  41           HN       LEU  41   4.492   0.325   5.272
  289    HA   LEU  41           HA       LEU  41   2.237  -1.349   4.891
  290    HB2  LEU  41           HB2      LEU  41   2.314   0.966   6.017
  291    HB3  LEU  41           HB1      LEU  41   2.452   1.638   4.419
  292    HG   LEU  41           HG       LEU  41   0.215   0.827   3.835
  293   HD11  LEU  41          HD11      LEU  41   0.087  -0.156   6.691
  294   HD12  LEU  41          HD12      LEU  41   0.109  -1.166   5.246
  295   HD13  LEU  41          HD13      LEU  41  -1.258  -0.102   5.557
  296   HD21  LEU  41          HD21      LEU  41  -1.050   2.332   5.264
  297   HD22  LEU  41          HD22      LEU  41   0.507   3.053   4.835
  298   HD23  LEU  41          HD23      LEU  41   0.268   2.351   6.431
  299    H    MET  42           HN       MET  42   1.050  -1.716   2.974
  300    HA   MET  42           HA       MET  42   2.435  -2.464   0.806
  301    HB2  MET  42           HB2      MET  42   0.156  -3.145   1.198
  302    HB3  MET  42           HB1      MET  42  -0.410  -1.532   0.779
  303    HG2  MET  42           HG2      MET  42  -0.735  -3.140  -1.045
  304    HG3  MET  42           HG1      MET  42   0.336  -1.831  -1.525
  305    HE1  MET  42           HE1      MET  42   1.938  -4.661  -3.546
  306    HE2  MET  42           HE2      MET  42   1.441  -2.967  -3.502
  307    HE3  MET  42           HE3      MET  42   0.234  -4.230  -3.330
  308    H    LEU  43           HN       LEU  43   3.457  -1.709  -0.780
  309    HA   LEU  43           HA       LEU  43   3.172   1.103  -1.629
  310    HB2  LEU  43           HB2      LEU  43   5.188   0.257  -0.184
  311    HB3  LEU  43           HB1      LEU  43   5.677  -0.555  -1.651
  312    HG   LEU  43           HG       LEU  43   5.810   1.658  -2.771
  313   HD11  LEU  43          HD11      LEU  43   5.269   2.653   0.028
  314   HD12  LEU  43          HD12      LEU  43   4.193   2.834  -1.350
  315   HD13  LEU  43          HD13      LEU  43   5.753   3.650  -1.340
  316   HD21  LEU  43          HD21      LEU  43   7.415   1.363  -0.229
  317   HD22  LEU  43          HD22      LEU  43   7.853   2.343  -1.628
  318   HD23  LEU  43          HD23      LEU  43   7.776   0.585  -1.769
  319    H    ILE  44           HN       ILE  44   1.899   0.532  -3.373
  320    HA   ILE  44           HA       ILE  44   2.176  -1.851  -4.903
  321    HB   ILE  44           HB       ILE  44   0.622   0.641  -5.600
  322   HG12  ILE  44          HG12      ILE  44  -0.330  -1.788  -4.077
  323   HG13  ILE  44          HG11      ILE  44   0.198  -0.309  -3.290
  324   HG21  ILE  44          HG21      ILE  44  -0.795  -0.894  -6.873
  325   HG22  ILE  44          HG22      ILE  44   0.219  -2.249  -6.399
  326   HG23  ILE  44          HG23      ILE  44   0.872  -0.986  -7.445
  327   HD11  ILE  44          HD11      ILE  44  -2.046  -0.543  -5.238
  328   HD12  ILE  44          HD12      ILE  44  -1.630   0.908  -4.310
  329   HD13  ILE  44          HD13      ILE  44  -2.241  -0.533  -3.491
  330    H    GLN  45           HN       GLN  45   3.448  -2.319  -6.462
  331    HA   GLN  45           HA       GLN  45   5.198  -0.299  -7.601
  332    HB2  GLN  45           HB2      GLN  45   6.032  -2.401  -6.625
  333    HB3  GLN  45           HB1      GLN  45   5.140  -3.303  -7.827
  334    HG2  GLN  45           HG2      GLN  45   6.532  -2.151  -9.561
  335    HG3  GLN  45           HG1      GLN  45   7.525  -1.532  -8.238
  336   HE21  GLN  45          HE21      GLN  45   8.761  -3.006  -7.008
  337   HE22  GLN  45          HE22      GLN  45   9.102  -4.596  -7.551
  338    H    ASP  46           HN       ASP  46   2.320  -2.074  -8.559
  339    HA   ASP  46           HA       ASP  46   2.264  -1.124 -11.235
  340    HB2  ASP  46           HB2      ASP  46   4.158  -2.748 -11.410
  341    HB3  ASP  46           HB1      ASP  46   3.083  -4.026 -10.874
  342    H    GLN  47           HN       GLN  47   0.493  -2.590 -12.527
  343    HA   GLN  47           HA       GLN  47  -1.720  -2.902 -10.723
  344    HB2  GLN  47           HB2      GLN  47  -2.088  -1.937 -12.965
  345    HB3  GLN  47           HB1      GLN  47  -1.621  -3.471 -13.689
  346    HG2  GLN  47           HG2      GLN  47  -3.524  -4.577 -12.759
  347    HG3  GLN  47           HG1      GLN  47  -3.940  -3.159 -11.803
  348   HE21  GLN  47          HE21      GLN  47  -4.873  -1.444 -12.772
  349   HE22  GLN  47          HE22      GLN  47  -5.555  -1.459 -14.324
  350    H    GLU  48           HN       GLU  48   0.478  -5.120 -12.443
  351    HA   GLU  48           HA       GLU  48  -0.776  -7.503 -12.141
  352    HB2  GLU  48           HB2      GLU  48   1.568  -6.473 -13.026
  353    HB3  GLU  48           HB1      GLU  48   2.092  -7.295 -11.574
  354    HG2  GLU  48           HG2      GLU  48   0.547  -8.571 -13.786
  355    HG3  GLU  48           HG1      GLU  48   2.306  -8.484 -13.619
  356    H    GLU  49           HN       GLU  49   0.916  -5.441  -9.922
  357    HA   GLU  49           HA       GLU  49   1.289  -7.053  -7.650
  358    HB2  GLU  49           HB2      GLU  49   0.658  -4.161  -8.042
  359    HB3  GLU  49           HB1      GLU  49   1.066  -4.817  -6.472
  360    HG2  GLU  49           HG2      GLU  49   2.910  -5.361  -8.710
  361    HG3  GLU  49           HG1      GLU  49   2.835  -3.707  -8.095
  362    H    LEU  50           HN       LEU  50  -1.296  -4.785  -8.494
  363    HA   LEU  50           HA       LEU  50  -2.790  -5.465  -6.230
  364    HB2  LEU  50           HB2      LEU  50  -3.551  -3.809  -8.600
  365    HB3  LEU  50           HB1      LEU  50  -4.617  -4.144  -7.246
  366    HG   LEU  50           HG       LEU  50  -1.960  -2.772  -7.018
  367   HD11  LEU  50          HD11      LEU  50  -4.760  -1.676  -6.864
  368   HD12  LEU  50          HD12      LEU  50  -3.664  -1.452  -8.224
  369   HD13  LEU  50          HD13      LEU  50  -3.283  -0.733  -6.667
  370   HD21  LEU  50          HD21      LEU  50  -2.831  -2.295  -4.693
  371   HD22  LEU  50          HD22      LEU  50  -2.469  -3.975  -4.984
  372   HD23  LEU  50          HD23      LEU  50  -4.136  -3.431  -5.019
  373    H    ARG  51           HN       ARG  51  -2.815  -6.614  -9.461
  374    HA   ARG  51           HA       ARG  51  -5.335  -7.838  -9.181
  375    HB2  ARG  51           HB2      ARG  51  -5.010  -8.739 -11.307
  376    HB3  ARG  51           HB1      ARG  51  -3.955  -7.331 -11.277
  377    HG2  ARG  51           HG2      ARG  51  -2.038  -8.617 -11.066
  378    HG3  ARG  51           HG1      ARG  51  -2.977 -10.094 -10.812
  379    HD2  ARG  51           HD2      ARG  51  -3.970  -9.932 -12.939
  380    HD3  ARG  51           HD1      ARG  51  -3.235  -8.349 -13.201
  381    HE   ARG  51           HE       ARG  51  -1.151 -10.064 -12.814
  382   HH11  ARG  51          HH11      ARG  51  -3.938 -10.191 -14.984
  383   HH12  ARG  51          HH12      ARG  51  -3.065 -10.826 -16.300
  384   HH21  ARG  51          HH21      ARG  51   0.043 -10.968 -14.582
  385   HH22  ARG  51          HH22      ARG  51  -0.718 -11.296 -16.061
  386    H    PHE  52           HN       PHE  52  -2.046  -8.781  -8.384
  387    HA   PHE  52           HA       PHE  52  -2.753 -11.417  -7.567
  388    HB2  PHE  52           HB2      PHE  52  -0.427 -10.833  -8.224
  389    HB3  PHE  52           HB1      PHE  52  -0.325  -9.741  -6.847
  390    HD1  PHE  52           HD2      PHE  52  -0.862 -13.299  -7.742
  391    HD2  PHE  52           HD1      PHE  52   0.409 -10.528  -4.785
  392    HE1  PHE  52           HE2      PHE  52  -0.090 -15.163  -6.336
  393    HE2  PHE  52           HE1      PHE  52   1.182 -12.386  -3.367
  394    HZ   PHE  52           HZ       PHE  52   0.928 -14.707  -4.145
  395    H    LEU  53           HN       LEU  53  -2.703  -8.236  -6.149
  396    HA   LEU  53           HA       LEU  53  -3.110  -9.015  -3.477
  397    HB2  LEU  53           HB2      LEU  53  -3.801  -6.427  -4.904
  398    HB3  LEU  53           HB1      LEU  53  -4.562  -6.788  -3.416
  399    HG   LEU  53           HG       LEU  53  -2.680  -5.342  -3.029
  400   HD11  LEU  53          HD11      LEU  53  -2.195  -8.091  -1.946
  401   HD12  LEU  53          HD12      LEU  53  -3.322  -6.889  -1.321
  402   HD13  LEU  53          HD13      LEU  53  -1.576  -6.568  -1.303
  403   HD21  LEU  53          HD21      LEU  53  -0.976  -7.570  -4.119
  404   HD22  LEU  53          HD22      LEU  53  -0.387  -6.138  -3.279
  405   HD23  LEU  53          HD23      LEU  53  -1.193  -5.969  -4.836
  406    H    LEU  54           HN       LEU  54  -5.383  -8.304  -6.036
  407    HA   LEU  54           HA       LEU  54  -7.713  -8.839  -4.638
  408    HB2  LEU  54           HB2      LEU  54  -7.217  -9.527  -7.522
  409    HB3  LEU  54           HB1      LEU  54  -8.777  -9.237  -6.778
  410    HG   LEU  54           HG       LEU  54  -6.602  -7.249  -7.342
  411   HD11  LEU  54          HD11      LEU  54  -9.428  -7.446  -8.329
  412   HD12  LEU  54          HD12      LEU  54  -7.960  -7.778  -9.250
  413   HD13  LEU  54          HD13      LEU  54  -8.302  -6.141  -8.693
  414   HD21  LEU  54          HD21      LEU  54  -8.068  -5.536  -6.347
  415   HD22  LEU  54          HD22      LEU  54  -7.486  -6.711  -5.173
  416   HD23  LEU  54          HD23      LEU  54  -9.141  -6.815  -5.769
  417    H    ASP  55           HN       ASP  55  -5.502 -11.101  -6.154
  418    HA   ASP  55           HA       ASP  55  -7.082 -13.412  -5.712
  419    HB2  ASP  55           HB2      ASP  55  -4.083 -13.187  -5.999
  420    HB3  ASP  55           HB1      ASP  55  -4.955 -14.710  -5.931
  421    H    SER  56           HN       SER  56  -4.602 -11.817  -3.779
  422    HA   SER  56           HA       SER  56  -4.730 -13.843  -1.771
  423    HB2  SER  56           HB2      SER  56  -3.158 -12.204  -0.546
  424    HB3  SER  56           HB1      SER  56  -2.576 -12.963  -2.023
  425    HG   SER  56           HG       SER  56  -2.858 -11.094  -3.117
  426    H    ILE  57           HN       ILE  57  -6.235 -10.809  -2.330
  427    HA   ILE  57           HA       ILE  57  -7.306 -10.279   0.230
  428    HB   ILE  57           HB       ILE  57  -8.428  -9.670  -2.522
  429   HG12  ILE  57          HG12      ILE  57  -6.348  -8.498  -2.184
  430   HG13  ILE  57          HG11      ILE  57  -7.671  -7.347  -2.112
  431   HG21  ILE  57          HG21      ILE  57  -9.367  -8.580   0.101
  432   HG22  ILE  57          HG22      ILE  57 -10.239  -9.666  -0.983
  433   HG23  ILE  57          HG23      ILE  57  -9.878  -8.013  -1.490
  434   HD11  ILE  57          HD11      ILE  57  -7.502  -7.331   0.322
  435   HD12  ILE  57          HD12      ILE  57  -5.993  -6.864  -0.461
  436   HD13  ILE  57          HD13      ILE  57  -6.161  -8.476   0.228
  437    H    LYS  58           HN       LYS  58  -8.607 -11.955  -2.570
  438    HA   LYS  58           HA       LYS  58 -10.052 -13.563  -2.877
  439    HB2  LYS  58           HB2      LYS  58  -8.967 -14.959  -1.251
  440    HB3  LYS  58           HB1      LYS  58  -9.754 -14.122   0.081
  441    HG2  LYS  58           HG2      LYS  58 -10.739 -16.334  -0.342
  442    HG3  LYS  58           HG1      LYS  58 -11.904 -15.028  -0.579
  443    HD2  LYS  58           HD2      LYS  58 -11.414 -15.154  -3.018
  444    HD3  LYS  58           HD1      LYS  58 -10.438 -16.594  -2.704
  445    HE2  LYS  58           HE2      LYS  58 -12.391 -17.698  -1.763
  446    HE3  LYS  58           HE1      LYS  58 -13.353 -16.247  -2.050
  447    HZ1  LYS  58           HZ1      LYS  58 -12.063 -17.921  -4.124
  448    HZ2  LYS  58           HZ2      LYS  58 -12.920 -16.513  -4.431
  449    HZ3  LYS  58           HZ3      LYS  58 -13.711 -17.856  -3.791
  450    H    GLU  59           HN       GLU  59 -11.240 -12.090   0.184
  451    HA   GLU  59           HA       GLU  59 -13.918 -12.461  -0.659
  452    HB2  GLU  59           HB2      GLU  59 -12.926 -10.604   1.512
  453    HB3  GLU  59           HB1      GLU  59 -14.602 -10.813   1.119
  454    HG2  GLU  59           HG2      GLU  59 -14.153 -12.136   3.028
  455    HG3  GLU  59           HG1      GLU  59 -14.397 -13.220   1.669
  456    H    LYS  60           HN       LYS  60 -11.987  -9.432  -0.558
  457    HA   LYS  60           HA       LYS  60 -12.132  -7.524  -1.695
  458    HB2  LYS  60           HB2      LYS  60 -14.027  -8.972  -3.573
  459    HB3  LYS  60           HB1      LYS  60 -13.207  -7.480  -3.962
  460    HG2  LYS  60           HG2      LYS  60 -11.038  -8.866  -3.581
  461    HG3  LYS  60           HG1      LYS  60 -12.160 -10.230  -3.701
  462    HD2  LYS  60           HD2      LYS  60 -11.777  -8.113  -5.824
  463    HD3  LYS  60           HD1      LYS  60 -11.074  -9.729  -5.862
  464    HE2  LYS  60           HE2      LYS  60 -13.334 -10.690  -5.865
  465    HE3  LYS  60           HE1      LYS  60 -14.018  -9.066  -5.851
  466    HZ1  LYS  60           HZ1      LYS  60 -14.013  -9.873  -8.073
  467    HZ2  LYS  60           HZ2      LYS  60 -12.386 -10.297  -7.997
  468    HZ3  LYS  60           HZ3      LYS  60 -12.814  -8.675  -7.995
  469    H    TYR  61           HN       TYR  61 -14.092  -8.368   0.388
  470    HA   TYR  61           HA       TYR  61 -16.210  -6.408  -0.231
  471    HB2  TYR  61           HB2      TYR  61 -16.461  -8.826   1.572
  472    HB3  TYR  61           HB1      TYR  61 -17.742  -7.690   1.166
  473    HD1  TYR  61           HD1      TYR  61 -17.381  -7.389  -1.726
  474    HD2  TYR  61           HD2      TYR  61 -17.137 -10.861   0.695
  475    HE1  TYR  61           HE1      TYR  61 -17.973  -8.778  -3.668
  476    HE2  TYR  61           HE2      TYR  61 -17.731 -12.259  -1.236
  477    HH   TYR  61           HH       TYR  61 -18.895 -12.031  -3.330
  478    H    ASN  62           HN       ASN  62 -13.575  -6.184   1.112
  479    HA   ASN  62           HA       ASN  62 -14.549  -5.021   3.653
  480    HB2  ASN  62           HB2      ASN  62 -11.775  -6.228   3.301
  481    HB3  ASN  62           HB1      ASN  62 -12.422  -5.506   4.752
  482   HD21  ASN  62          HD21      ASN  62 -11.992  -8.369   2.960
  483   HD22  ASN  62          HD22      ASN  62 -12.829  -9.387   4.051
  484    H    SER  63           HN       SER  63 -11.911  -3.948   4.236
  485    HA   SER  63           HA       SER  63 -11.126  -2.391   1.955
  486    HB2  SER  63           HB2      SER  63 -13.035  -1.126   3.285
  487    HB3  SER  63           HB1      SER  63 -11.778  -0.929   4.511
  488    HG   SER  63           HG       SER  63 -11.911   0.138   1.943
  489    H    PHE  64           HN       PHE  64  -8.964  -2.269   2.025
  490    HA   PHE  64           HA       PHE  64  -7.567  -2.861   4.572
  491    HB2  PHE  64           HB2      PHE  64  -6.443  -3.823   1.966
  492    HB3  PHE  64           HB1      PHE  64  -6.243  -4.485   3.583
  493    HD1  PHE  64           HD2      PHE  64  -7.918  -6.025   4.498
  494    HD2  PHE  64           HD1      PHE  64  -8.271  -4.417   0.604
  495    HE1  PHE  64           HE2      PHE  64  -9.669  -7.660   3.972
  496    HE2  PHE  64           HE1      PHE  64  -9.945  -5.992   0.025
  497    HZ   PHE  64           HZ       PHE  64 -10.711  -7.666   1.721
  498    H    TRP  65           HN       TRP  65  -6.402  -1.124   5.023
  499    HA   TRP  65           HA       TRP  65  -5.813   1.052   3.391
  500    HB2  TRP  65           HB2      TRP  65  -4.300   0.129   5.829
  501    HB3  TRP  65           HB1      TRP  65  -4.228   1.729   5.133
  502    HD1  TRP  65           HD1      TRP  65  -5.730  -0.059   7.900
  503    HE1  TRP  65           HE1      TRP  65  -7.722   1.197   8.898
  504    HE3  TRP  65           HE3      TRP  65  -6.583   3.266   4.094
  505    HZ2  TRP  65           HZ2      TRP  65  -9.433   3.313   8.181
  506    HZ3  TRP  65           HZ3      TRP  65  -8.432   4.869   4.342
  507    HH2  TRP  65           HH2      TRP  65  -9.832   4.878   6.359
  508    H    ILE  66           HN       ILE  66  -4.187   1.538   2.030
  509    HA   ILE  66           HA       ILE  66  -1.757  -0.065   2.196
  510    HB   ILE  66           HB       ILE  66  -1.248   0.255  -0.187
  511   HG12  ILE  66          HG12      ILE  66  -2.679   2.408  -0.448
  512   HG13  ILE  66          HG11      ILE  66  -2.598   1.305  -1.808
  513   HG21  ILE  66          HG21      ILE  66  -2.901  -1.240  -1.207
  514   HG22  ILE  66          HG22      ILE  66  -3.953  -0.996   0.182
  515   HG23  ILE  66          HG23      ILE  66  -2.392  -1.782   0.394
  516   HD11  ILE  66          HD11      ILE  66  -4.870   1.486   0.156
  517   HD12  ILE  66          HD12      ILE  66  -4.793   0.426  -1.257
  518   HD13  ILE  66          HD13      ILE  66  -4.849   2.172  -1.466
  519    H    GLY  67           HN       GLY  67   0.121   1.447   0.945
  520    HA2  GLY  67           HA2      GLY  67   0.256   3.594   2.843
  521    HA3  GLY  67           HA1      GLY  67   1.502   3.120   1.706
  522    H    LEU  68           HN       LEU  68  -1.783   4.397   1.504
  523    HA   LEU  68           HA       LEU  68  -0.777   6.488  -0.291
  524    HB2  LEU  68           HB2      LEU  68  -3.225   4.811  -0.500
  525    HB3  LEU  68           HB1      LEU  68  -3.152   6.380  -1.268
  526    HG   LEU  68           HG       LEU  68  -1.223   4.135  -1.819
  527   HD11  LEU  68          HD11      LEU  68  -3.597   5.114  -3.410
  528   HD12  LEU  68          HD12      LEU  68  -3.532   3.603  -2.507
  529   HD13  LEU  68          HD13      LEU  68  -2.468   3.843  -3.888
  530   HD21  LEU  68          HD21      LEU  68  -0.610   5.524  -3.727
  531   HD22  LEU  68          HD22      LEU  68  -0.328   6.388  -2.225
  532   HD23  LEU  68          HD23      LEU  68  -1.747   6.763  -3.208
  533    H    ARG  69           HN       ARG  69  -1.045   8.430   0.509
  534    HA   ARG  69           HA       ARG  69  -3.469   8.942   2.043
  535    HB2  ARG  69           HB2      ARG  69  -2.174  10.534   3.475
  536    HB3  ARG  69           HB1      ARG  69  -1.722   8.855   3.696
  537    HG2  ARG  69           HG2      ARG  69   0.259   9.211   2.297
  538    HG3  ARG  69           HG1      ARG  69  -0.197  10.905   2.102
  539    HD2  ARG  69           HD2      ARG  69   0.009  11.260   4.497
  540    HD3  ARG  69           HD1      ARG  69   0.376   9.554   4.740
  541    HE   ARG  69           HE       ARG  69   2.165  10.878   2.927
  542   HH11  ARG  69          HH11      ARG  69   1.552  10.322   6.395
  543   HH12  ARG  69          HH12      ARG  69   3.193  10.457   6.815
  544   HH21  ARG  69          HH21      ARG  69   4.394  11.017   3.549
  545   HH22  ARG  69          HH22      ARG  69   4.858  10.811   5.174
  546    H    TYR  70           HN       TYR  70  -4.566  10.736   1.531
  547    HA   TYR  70           HA       TYR  70  -3.828  12.143  -0.881
  548    HB2  TYR  70           HB2      TYR  70  -6.214  11.391  -0.287
  549    HB3  TYR  70           HB1      TYR  70  -6.114  12.469   1.062
  550    HD1  TYR  70           HD1      TYR  70  -5.619  12.802  -2.674
  551    HD2  TYR  70           HD2      TYR  70  -7.323  14.319   0.905
  552    HE1  TYR  70           HE1      TYR  70  -6.784  14.565  -3.965
  553    HE2  TYR  70           HE2      TYR  70  -8.468  16.053  -0.346
  554    HH   TYR  70           HH       TYR  70  -8.315  17.291  -2.528
  555    H    THR  71           HN       THR  71  -2.452  13.800  -0.706
  556    HA   THR  71           HA       THR  71  -2.194  15.080   1.896
  557    HB   THR  71           HB       THR  71   0.046  15.805   0.993
  558    HG1  THR  71           HG1      THR  71  -0.943  15.068  -1.276
  559   HG21  THR  71          HG21      THR  71   1.054  13.561   1.248
  560   HG22  THR  71          HG22      THR  71  -0.544  12.842   1.076
  561   HG23  THR  71          HG23      THR  71  -0.185  13.858   2.468
  562    H    LEU  72           HN       LEU  72  -2.878  17.096   2.175
  563    HA   LEU  72           HA       LEU  72  -3.156  18.796  -0.193
  564    HB2  LEU  72           HB2      LEU  72  -4.854  18.800   2.302
  565    HB3  LEU  72           HB1      LEU  72  -5.003  19.939   0.982
  566    HG   LEU  72           HG       LEU  72  -5.607  16.989   0.907
  567   HD11  LEU  72          HD11      LEU  72  -7.330  19.418   0.576
  568   HD12  LEU  72          HD12      LEU  72  -7.339  18.306   1.962
  569   HD13  LEU  72          HD13      LEU  72  -7.840  17.754   0.355
  570   HD21  LEU  72          HD21      LEU  72  -4.589  17.628  -1.180
  571   HD22  LEU  72          HD22      LEU  72  -5.664  19.019  -1.305
  572   HD23  LEU  72          HD23      LEU  72  -6.322  17.386  -1.398
  573    HA   PRO  73           HA       PRO  73  -3.654  20.769  -0.595
  574    HB2  PRO  73           HB2      PRO  73  -2.109  23.099  -1.229
  575    HB3  PRO  73           HB1      PRO  73  -3.752  23.061  -0.564
  576    HG2  PRO  73           HG2      PRO  73  -1.582  24.033   0.797
  577    HG3  PRO  73           HG1      PRO  73  -3.068  23.432   1.556
  578    HD2  PRO  73           HD2      PRO  73  -0.452  22.042   1.198
  579    HD3  PRO  73           HD1      PRO  73  -1.564  22.033   2.586
  580    H    ASP  74           HN       ASP  74  -3.135  19.751  -2.471
  581    HA   ASP  74           HA       ASP  74  -0.877  19.995  -4.033
  582    HB2  ASP  74           HB2      ASP  74   0.380  19.038  -2.100
  583    HB3  ASP  74           HB1      ASP  74  -0.666  17.628  -2.131
  584    H    MET  75           HN       MET  75  -3.243  17.875  -2.605
  585    HA   MET  75           HA       MET  75  -4.817  16.581  -3.308
  586    HB2  MET  75           HB2      MET  75  -4.520  18.184  -5.825
  587    HB3  MET  75           HB1      MET  75  -5.791  16.992  -5.591
  588    HG2  MET  75           HG2      MET  75  -6.648  19.162  -5.129
  589    HG3  MET  75           HG1      MET  75  -6.573  18.282  -3.603
  590    HE1  MET  75           HE1      MET  75  -7.082  21.407  -3.836
  591    HE2  MET  75           HE2      MET  75  -6.044  21.996  -2.531
  592    HE3  MET  75           HE3      MET  75  -6.992  20.529  -2.310
  593    H    ASN  76           HN       ASN  76  -1.869  15.971  -4.107
  594    HA   ASN  76           HA       ASN  76  -2.557  13.704  -5.797
  595    HB2  ASN  76           HB2      ASN  76   0.127  14.877  -5.054
  596    HB3  ASN  76           HB1      ASN  76  -0.039  13.320  -5.851
  597   HD21  ASN  76          HD21      ASN  76  -0.708  13.271  -8.031
  598   HD22  ASN  76          HD22      ASN  76  -0.713  14.687  -8.991
  599    H    TRP  77           HN       TRP  77  -1.703  11.673  -5.238
  600    HA   TRP  77           HA       TRP  77  -1.868  11.193  -2.375
  601    HB2  TRP  77           HB2      TRP  77  -2.144   9.376  -4.768
  602    HB3  TRP  77           HB1      TRP  77  -2.192   8.833  -3.095
  603    HD1  TRP  77           HD1      TRP  77  -4.222  11.046  -5.546
  604    HE1  TRP  77           HE1      TRP  77  -6.682  11.028  -4.723
  605    HE3  TRP  77           HE3      TRP  77  -3.632   8.392  -1.271
  606    HZ2  TRP  77           HZ2      TRP  77  -8.138  10.049  -2.563
  607    HZ3  TRP  77           HZ3      TRP  77  -5.602   7.949   0.131
  608    HH2  TRP  77           HH2      TRP  77  -7.805   8.763  -0.506
  609    H    LYS  78           HN       LYS  78  -0.042  10.806  -1.366
  610    HA   LYS  78           HA       LYS  78   2.171   9.792  -2.956
  611    HB2  LYS  78           HB2      LYS  78   2.284  11.784  -0.685
  612    HB3  LYS  78           HB1      LYS  78   3.708  10.945  -1.295
  613    HG2  LYS  78           HG2      LYS  78   3.180  11.892  -3.567
  614    HG3  LYS  78           HG1      LYS  78   1.934  12.867  -2.798
  615    HD2  LYS  78           HD2      LYS  78   4.831  12.927  -1.971
  616    HD3  LYS  78           HD1      LYS  78   4.177  13.995  -3.196
  617    HE2  LYS  78           HE2      LYS  78   3.235  13.819  -0.337
  618    HE3  LYS  78           HE1      LYS  78   4.343  15.039  -0.962
  619    HZ1  LYS  78           HZ1      LYS  78   1.455  14.703  -1.628
  620    HZ2  LYS  78           HZ2      LYS  78   2.459  15.701  -2.515
  621    HZ3  LYS  78           HZ3      LYS  78   2.198  15.999  -0.878
  622    H    TRP  79           HN       TRP  79   3.534   8.331  -2.046
  623    HA   TRP  79           HA       TRP  79   2.147   6.607  -0.142
  624    HB2  TRP  79           HB2      TRP  79   4.781   5.847  -1.472
  625    HB3  TRP  79           HB1      TRP  79   3.545   4.865  -0.772
  626    HD1  TRP  79           HD1      TRP  79   4.077   7.023  -3.882
  627    HE1  TRP  79           HE1      TRP  79   2.762   6.011  -5.801
  628    HE3  TRP  79           HE3      TRP  79   1.695   3.346  -1.297
  629    HZ2  TRP  79           HZ2      TRP  79   0.911   3.915  -6.184
  630    HZ3  TRP  79           HZ3      TRP  79   0.155   1.879  -2.521
  631    HH2  TRP  79           HH2      TRP  79  -0.230   2.179  -4.914
  632    H    ILE  80           HN       ILE  80   3.823   5.352   1.280
  633    HA   ILE  80           HA       ILE  80   4.893   7.257   3.119
  634    HB   ILE  80           HB       ILE  80   5.609   5.334   4.474
  635   HG12  ILE  80          HG12      ILE  80   4.595   3.630   2.189
  636   HG13  ILE  80          HG11      ILE  80   6.299   3.930   2.533
  637   HG21  ILE  80          HG21      ILE  80   3.387   4.342   4.838
  638   HG22  ILE  80          HG22      ILE  80   2.849   5.005   3.296
  639   HG23  ILE  80          HG23      ILE  80   3.282   6.092   4.615
  640   HD11  ILE  80          HD11      ILE  80   5.473   1.733   3.368
  641   HD12  ILE  80          HD12      ILE  80   4.357   2.571   4.435
  642   HD13  ILE  80          HD13      ILE  80   6.089   2.753   4.659
  643    H    ASN  81           HN       ASN  81   6.226   5.799   0.367
  644    HA   ASN  81           HA       ASN  81   8.985   6.102   1.319
  645    HB2  ASN  81           HB2      ASN  81   9.693   5.011  -0.729
  646    HB3  ASN  81           HB1      ASN  81   8.377   4.069  -0.044
  647   HD21  ASN  81          HD21      ASN  81   9.336   4.114  -2.755
  648   HD22  ASN  81          HD22      ASN  81   8.025   4.585  -3.757
  649    H    GLY  82           HN       GLY  82   6.644   7.911   0.156
  650    HA2  GLY  82           HA2      GLY  82   6.776  10.218  -0.277
  651    HA3  GLY  82           HA1      GLY  82   8.487  10.025  -0.612
  652    H    SER  83           HN       SER  83   6.774   7.711  -2.329
  653    HA   SER  83           HA       SER  83   7.298   9.131  -4.762
  654    HB2  SER  83           HB2      SER  83   7.583   6.568  -4.327
  655    HB3  SER  83           HB1      SER  83   5.822   6.543  -4.521
  656    HG   SER  83           HG       SER  83   7.394   6.197  -6.371
  657    H    THR  84           HN       THR  84   5.479   9.061  -6.472
  658    HA   THR  84           HA       THR  84   3.019   9.971  -5.216
  659    HB   THR  84           HB       THR  84   3.854  10.314  -8.125
  660    HG1  THR  84           HG1      THR  84   5.263  11.398  -6.572
  661   HG21  THR  84          HG21      THR  84   1.790  11.733  -6.422
  662   HG22  THR  84          HG22      THR  84   1.431  10.528  -7.652
  663   HG23  THR  84          HG23      THR  84   2.136  12.077  -8.116
  664    H    LEU  85           HN       LEU  85   1.180   9.015  -5.650
  665    HA   LEU  85           HA       LEU  85   0.806   6.360  -6.266
  666    HB2  LEU  85           HB2      LEU  85  -0.870   7.585  -5.164
  667    HB3  LEU  85           HB1      LEU  85  -1.027   8.703  -6.504
  668    HG   LEU  85           HG       LEU  85  -1.884   6.796  -7.880
  669   HD11  LEU  85          HD11      LEU  85  -0.959   5.004  -6.487
  670   HD12  LEU  85          HD12      LEU  85  -2.670   4.816  -6.831
  671   HD13  LEU  85          HD13      LEU  85  -2.148   5.412  -5.244
  672   HD21  LEU  85          HD21      LEU  85  -3.468   7.531  -5.429
  673   HD22  LEU  85          HD22      LEU  85  -4.114   6.885  -6.942
  674   HD23  LEU  85          HD23      LEU  85  -3.355   8.473  -6.918
  675    H    ASN  86           HN       ASN  86   0.543   5.167  -8.080
  676    HA   ASN  86           HA       ASN  86   0.441   6.477 -10.674
  677    HB2  ASN  86           HB2      ASN  86   1.923   4.460 -10.401
  678    HB3  ASN  86           HB1      ASN  86   0.495   3.513  -9.998
  679   HD21  ASN  86          HD21      ASN  86   2.321   4.964 -12.511
  680   HD22  ASN  86          HD22      ASN  86   1.406   4.334 -13.829
  681    H    SER  87           HN       SER  87  -1.663   7.376 -10.461
  682    HA   SER  87           HA       SER  87  -3.867   5.729  -9.805
  683    HB2  SER  87           HB2      SER  87  -5.115   7.844 -10.687
  684    HB3  SER  87           HB1      SER  87  -4.201   7.916  -9.181
  685    HG   SER  87           HG       SER  87  -3.544   9.626 -10.285
  686    H    ASP  88           HN       ASP  88  -2.054   5.485 -12.402
  687    HA   ASP  88           HA       ASP  88  -4.021   5.481 -14.493
  688    HB2  ASP  88           HB2      ASP  88  -1.193   4.413 -14.475
  689    HB3  ASP  88           HB1      ASP  88  -2.239   4.389 -15.882
  690    H    VAL  89           HN       VAL  89  -2.944   3.190 -12.133
  691    HA   VAL  89           HA       VAL  89  -3.771   0.984 -13.724
  692    HB   VAL  89           HB       VAL  89  -3.325  -0.475 -11.779
  693   HG11  VAL  89          HG11      VAL  89  -1.130   1.523 -12.271
  694   HG12  VAL  89          HG12      VAL  89  -1.493   0.108 -13.251
  695   HG13  VAL  89          HG13      VAL  89  -0.929  -0.091 -11.591
  696   HG21  VAL  89          HG21      VAL  89  -4.040   0.973 -10.015
  697   HG22  VAL  89          HG22      VAL  89  -2.683   2.076 -10.301
  698   HG23  VAL  89          HG23      VAL  89  -2.389   0.424  -9.710
  699    H    LEU  90           HN       LEU  90  -5.188   2.514 -10.814
  700    HA   LEU  90           HA       LEU  90  -7.755   1.439 -11.641
  701    HB2  LEU  90           HB2      LEU  90  -6.612   1.088  -8.867
  702    HB3  LEU  90           HB1      LEU  90  -8.263   0.731  -9.325
  703    HG   LEU  90           HG       LEU  90  -5.807  -0.677 -10.347
  704   HD11  LEU  90          HD11      LEU  90  -7.972  -1.600  -8.436
  705   HD12  LEU  90          HD12      LEU  90  -6.349  -1.119  -7.971
  706   HD13  LEU  90          HD13      LEU  90  -6.586  -2.560  -8.967
  707   HD21  LEU  90          HD21      LEU  90  -8.738  -1.256 -10.785
  708   HD22  LEU  90          HD22      LEU  90  -7.412  -2.306 -11.285
  709   HD23  LEU  90          HD23      LEU  90  -7.587  -0.706 -12.004
  710    H    LYS  91           HN       LYS  91  -9.475   2.384 -10.126
  711    HA   LYS  91           HA       LYS  91  -9.087   5.168 -10.343
  712    HB2  LYS  91           HB2      LYS  91 -11.339   5.475  -9.718
  713    HB3  LYS  91           HB1      LYS  91 -11.260   4.162 -10.896
  714    HG2  LYS  91           HG2      LYS  91 -12.760   3.185  -9.412
  715    HG3  LYS  91           HG1      LYS  91 -11.246   2.804  -8.571
  716    HD2  LYS  91           HD2      LYS  91 -11.463   4.633  -7.076
  717    HD3  LYS  91           HD1      LYS  91 -12.794   5.331  -7.994
  718    HE2  LYS  91           HE2      LYS  91 -12.898   2.685  -6.537
  719    HE3  LYS  91           HE1      LYS  91 -13.466   4.209  -5.878
  720    HZ1  LYS  91           HZ1      LYS  91 -15.250   2.863  -6.837
  721    HZ2  LYS  91           HZ2      LYS  91 -14.571   2.982  -8.375
  722    HZ3  LYS  91           HZ3      LYS  91 -15.111   4.352  -7.578
  723    H    ILE  92           HN       ILE  92  -8.377   6.515  -9.052
  724    HA   ILE  92           HA       ILE  92  -8.969   6.475  -6.232
  725    HB   ILE  92           HB       ILE  92  -6.116   6.993  -7.045
  726   HG12  ILE  92          HG12      ILE  92  -7.398   4.333  -6.511
  727   HG13  ILE  92          HG11      ILE  92  -6.236   4.805  -7.685
  728   HG21  ILE  92          HG21      ILE  92  -6.912   7.885  -4.923
  729   HG22  ILE  92          HG22      ILE  92  -5.716   6.620  -4.630
  730   HG23  ILE  92          HG23      ILE  92  -7.433   6.278  -4.412
  731   HD11  ILE  92          HD11      ILE  92  -5.133   3.375  -6.059
  732   HD12  ILE  92          HD12      ILE  92  -5.582   4.509  -4.784
  733   HD13  ILE  92          HD13      ILE  92  -4.456   5.011  -6.041
  734    H    THR  93           HN       THR  93 -10.032   8.301  -6.446
  735    HA   THR  93           HA       THR  93  -9.511  10.233  -8.398
  736    HB   THR  93           HB       THR  93 -11.124  10.606  -5.908
  737    HG1  THR  93           HG1      THR  93 -11.421   8.939  -8.166
  738   HG21  THR  93          HG21      THR  93 -10.944  12.536  -7.426
  739   HG22  THR  93          HG22      THR  93 -12.583  11.884  -7.443
  740   HG23  THR  93          HG23      THR  93 -11.483  11.535  -8.774
  741    H    GLY  94           HN       GLY  94  -8.507  12.259  -8.286
  742    HA2  GLY  94           HA2      GLY  94  -6.735  12.526  -6.014
  743    HA3  GLY  94           HA1      GLY  94  -6.402  13.126  -7.647
  744    H    ASP  95           HN       ASP  95  -9.499  13.304  -6.296
  745    HA   ASP  95           HA       ASP  95  -9.069  15.787  -5.150
  746    HB2  ASP  95           HB2      ASP  95 -10.767  17.071  -6.391
  747    HB3  ASP  95           HB1      ASP  95  -9.542  16.481  -7.493
  748    H    THR  96           HN       THR  96 -10.422  15.987  -3.502
  749    HA   THR  96           HA       THR  96 -12.971  14.832  -3.262
  750    HB   THR  96           HB       THR  96 -11.965  12.659  -3.058
  751    HG1  THR  96           HG1      THR  96 -13.309  12.348  -1.525
  752   HG21  THR  96          HG21      THR  96 -10.228  12.106  -1.391
  753   HG22  THR  96          HG22      THR  96 -10.112  13.821  -0.976
  754   HG23  THR  96          HG23      THR  96  -9.668  13.271  -2.590
  755    H    GLU  97           HN       GLU  97 -10.123  16.178  -1.816
  756    HA   GLU  97           HA       GLU  97  -9.772  17.730  -0.304
  757    HB2  GLU  97           HB2      GLU  97 -12.709  18.280  -0.631
  758    HB3  GLU  97           HB1      GLU  97 -11.586  19.315   0.254
  759    HG2  GLU  97           HG2      GLU  97 -11.426  18.593  -2.651
  760    HG3  GLU  97           HG1      GLU  97 -11.930  20.149  -1.989
  761    H    ASN  98           HN       ASN  98 -10.444  15.072   0.494
  762    HA   ASN  98           HA       ASN  98 -11.360  15.644   3.207
  763    HB2  ASN  98           HB2      ASN  98 -11.318  13.084   1.627
  764    HB3  ASN  98           HB1      ASN  98 -11.341  13.047   3.384
  765   HD21  ASN  98          HD21      ASN  98 -13.201  13.527   0.504
  766   HD22  ASN  98          HD22      ASN  98 -14.684  13.817   1.342
  767    H    ASP  99           HN       ASP  99 -10.254  14.023   4.747
  768    HA   ASP  99           HA       ASP  99  -7.362  14.417   4.530
  769    HB2  ASP  99           HB2      ASP  99  -8.698  15.154   6.570
  770    HB3  ASP  99           HB1      ASP  99  -9.059  13.465   6.871
  771    H    SER 100           HN       SER 100  -8.812  12.619   2.958
  772    HA   SER 100           HA       SER 100  -9.152  10.022   3.838
  773    HB2  SER 100           HB2      SER 100  -9.261   9.674   1.311
  774    HB3  SER 100           HB1      SER 100 -10.435  10.754   2.066
  775    HG   SER 100           HG       SER 100  -7.990  11.683   1.034
  776    H    CYS 101           HN       CYS 101  -8.121   8.198   3.449
  777    HA   CYS 101           HA       CYS 101  -5.550   8.141   2.133
  778    HB2  CYS 101           HB2      CYS 101  -5.250   6.223   4.067
  779    HB3  CYS 101           HB1      CYS 101  -4.744   7.914   4.323
  780    H    ALA 102           HN       ALA 102  -5.212   6.038   1.110
  781    HA   ALA 102           HA       ALA 102  -7.842   5.056   0.353
  782    HB1  ALA 102           HB1      ALA 102  -6.897   4.293  -1.738
  783    HB2  ALA 102           HB2      ALA 102  -5.269   4.702  -1.202
  784    HB3  ALA 102           HB3      ALA 102  -6.469   5.969  -1.469
  785    H    ALA 103           HN       ALA 103  -8.288   2.948  -0.040
  786    HA   ALA 103           HA       ALA 103  -6.676   0.878   1.193
  787    HB1  ALA 103           HB1      ALA 103  -8.067   1.744   3.022
  788    HB2  ALA 103           HB2      ALA 103  -8.618   0.139   2.553
  789    HB3  ALA 103           HB3      ALA 103  -9.507   1.560   2.030
  790    H    ILE 104           HN       ILE 104  -7.213  -1.134   0.347
  791    HA   ILE 104           HA       ILE 104  -8.575  -1.232  -2.222
  792    HB   ILE 104           HB       ILE 104  -7.288  -3.291  -0.427
  793   HG12  ILE 104          HG12      ILE 104  -5.818  -1.757  -1.772
  794   HG13  ILE 104          HG11      ILE 104  -5.525  -3.472  -2.019
  795   HG21  ILE 104          HG21      ILE 104  -9.110  -4.519  -1.496
  796   HG22  ILE 104          HG22      ILE 104  -7.599  -5.035  -2.215
  797   HG23  ILE 104          HG23      ILE 104  -8.640  -3.904  -3.075
  798   HD11  ILE 104          HD11      ILE 104  -7.156  -1.731  -3.840
  799   HD12  ILE 104          HD12      ILE 104  -6.677  -3.431  -4.080
  800   HD13  ILE 104          HD13      ILE 104  -5.452  -2.160  -4.076
  801    H    SER 105           HN       SER 105 -10.690  -1.753  -2.477
  802    HA   SER 105           HA       SER 105 -12.012  -2.848  -0.115
  803    HB2  SER 105           HB2      SER 105 -12.943  -0.669  -0.922
  804    HB3  SER 105           HB1      SER 105 -13.309  -1.425  -2.468
  805    HG   SER 105           HG       SER 105 -14.239  -2.543  -0.072
  806    H    GLY 106           HN       GLY 106 -12.613  -2.926  -3.584
  807    HA2  GLY 106           HA2      GLY 106 -12.597  -5.810  -3.354
  808    HA3  GLY 106           HA1      GLY 106 -13.811  -4.971  -4.331
  809    H    ASP 107           HN       ASP 107 -13.294  -4.324  -6.340
  810    HA   ASP 107           HA       ASP 107 -10.622  -5.129  -7.329
  811    HB2  ASP 107           HB2      ASP 107 -13.086  -4.402  -8.950
  812    HB3  ASP 107           HB1      ASP 107 -11.566  -5.000  -9.592
  813    H    LYS 108           HN       LYS 108 -11.932  -2.571  -6.028
  814    HA   LYS 108           HA       LYS 108 -10.486  -0.689  -7.764
  815    HB2  LYS 108           HB2      LYS 108 -12.918  -0.009  -6.106
  816    HB3  LYS 108           HB1      LYS 108 -12.053   1.005  -7.236
  817    HG2  LYS 108           HG2      LYS 108 -13.702  -1.395  -7.943
  818    HG3  LYS 108           HG1      LYS 108 -14.167   0.301  -8.100
  819    HD2  LYS 108           HD2      LYS 108 -12.250   0.638  -9.647
  820    HD3  LYS 108           HD1      LYS 108 -11.921  -1.098  -9.504
  821    HE2  LYS 108           HE2      LYS 108 -14.027  -1.647 -10.517
  822    HE3  LYS 108           HE1      LYS 108 -14.526   0.041 -10.519
  823    HZ1  LYS 108           HZ1      LYS 108 -12.313  -1.148 -12.099
  824    HZ2  LYS 108           HZ2      LYS 108 -12.662   0.492 -12.026
  825    HZ3  LYS 108           HZ3      LYS 108 -13.786  -0.574 -12.701
  826    H    VAL 109           HN       VAL 109  -9.732   1.175  -6.558
  827    HA   VAL 109           HA       VAL 109  -9.097   0.497  -3.808
  828    HB   VAL 109           HB       VAL 109  -8.046   2.863  -5.323
  829   HG11  VAL 109          HG11      VAL 109  -7.641   2.798  -2.956
  830   HG12  VAL 109          HG12      VAL 109  -6.118   2.619  -3.831
  831   HG13  VAL 109          HG13      VAL 109  -6.886   1.212  -3.095
  832   HG21  VAL 109          HG21      VAL 109  -7.565   1.052  -6.816
  833   HG22  VAL 109          HG22      VAL 109  -6.911   0.067  -5.505
  834   HG23  VAL 109          HG23      VAL 109  -6.063   1.525  -6.028
  835    H    THR 110           HN       THR 110  -9.883   1.834  -2.254
  836    HA   THR 110           HA       THR 110 -11.713   3.945  -3.136
  837    HB   THR 110           HB       THR 110 -13.195   3.213  -1.228
  838    HG1  THR 110           HG1      THR 110 -11.076   1.513  -0.836
  839   HG21  THR 110          HG21      THR 110 -13.685   2.530  -3.562
  840   HG22  THR 110          HG22      THR 110 -14.140   1.257  -2.425
  841   HG23  THR 110          HG23      THR 110 -12.653   1.119  -3.356
  842    H    PHE 111           HN       PHE 111 -12.140   5.491  -1.187
  843    HA   PHE 111           HA       PHE 111  -9.911   5.407   0.639
  844    HB2  PHE 111           HB2      PHE 111  -9.525   7.897   0.254
  845    HB3  PHE 111           HB1      PHE 111  -8.885   6.775  -0.936
  846    HD1  PHE 111           HD2      PHE 111 -11.411   9.347  -0.267
  847    HD2  PHE 111           HD1      PHE 111  -9.744   6.719  -3.171
  848    HE1  PHE 111           HE2      PHE 111 -12.569  10.576  -2.044
  849    HE2  PHE 111           HE1      PHE 111 -10.889   7.931  -4.945
  850    HZ   PHE 111           HZ       PHE 111 -12.321   9.880  -4.388
  851    H    GLU 112           HN       GLU 112 -10.178   6.145   2.560
  852    HA   GLU 112           HA       GLU 112 -12.763   7.337   3.294
  853    HB2  GLU 112           HB2      GLU 112 -11.374   5.026   4.709
  854    HB3  GLU 112           HB1      GLU 112 -12.827   5.831   5.236
  855    HG2  GLU 112           HG2      GLU 112 -12.659   4.360   2.625
  856    HG3  GLU 112           HG1      GLU 112 -13.159   3.602   4.133
  857    H    SER 113           HN       SER 113 -12.497   7.912   5.765
  858    HA   SER 113           HA       SER 113 -10.127   9.508   6.185
  859    HB2  SER 113           HB2      SER 113 -12.419   8.769   8.000
  860    HB3  SER 113           HB1      SER 113 -11.304  10.123   8.210
  861    HG   SER 113           HG       SER 113 -13.580  10.224   7.043
  862    H    CYS 114           HN       CYS 114  -8.347   8.844   7.155
  863    HA   CYS 114           HA       CYS 114  -7.479   6.352   7.521
  864    HB2  CYS 114           HB2      CYS 114  -6.655   8.857   8.940
  865    HB3  CYS 114           HB1      CYS 114  -5.674   7.389   8.893
  866    H    ASN 115           HN       ASN 115  -9.545   7.961   9.695
  867    HA   ASN 115           HA       ASN 115  -8.707   6.621  12.129
  868    HB2  ASN 115           HB2      ASN 115 -11.273   8.098  12.015
  869    HB3  ASN 115           HB1      ASN 115 -10.031   8.103  13.245
  870   HD21  ASN 115          HD21      ASN 115 -11.070   9.482  10.254
  871   HD22  ASN 115          HD22      ASN 115  -9.941  10.781  10.177
  872    H    SER 116           HN       SER 116 -10.593   5.743   9.489
  873    HA   SER 116           HA       SER 116 -12.627   4.480  11.021
  874    HB2  SER 116           HB2      SER 116 -13.275   3.439   8.780
  875    HB3  SER 116           HB1      SER 116 -13.361   5.198   8.874
  876    HG   SER 116           HG       SER 116 -11.401   5.283   7.764
  877    H    ASP 117           HN       ASP 117 -13.011   2.266  11.170
  878    HA   ASP 117           HA       ASP 117 -10.560   0.848  11.729
  879    HB2  ASP 117           HB2      ASP 117 -12.357   0.944  13.407
  880    HB3  ASP 117           HB1      ASP 117 -13.436   0.107  12.290
  881    H    ASN 118           HN       ASN 118  -9.768   0.193   9.889
  882    HA   ASN 118           HA       ASN 118 -11.320  -1.712   8.286
  883    HB2  ASN 118           HB2      ASN 118  -9.500   0.484   7.269
  884    HB3  ASN 118           HB1      ASN 118  -9.983  -0.886   6.288
  885   HD21  ASN 118          HD21      ASN 118 -10.433   1.947   5.928
  886   HD22  ASN 118          HD22      ASN 118 -12.132   2.182   5.809
  887    H    ARG 119           HN       ARG 119  -9.599  -2.842   6.803
  888    HA   ARG 119           HA       ARG 119  -7.663  -3.925   8.705
  889    HB2  ARG 119           HB2      ARG 119  -8.485  -4.991   5.981
  890    HB3  ARG 119           HB1      ARG 119  -7.496  -5.788   7.157
  891    HG2  ARG 119           HG2      ARG 119  -9.618  -6.846   7.161
  892    HG3  ARG 119           HG1      ARG 119  -9.474  -5.941   8.660
  893    HD2  ARG 119           HD2      ARG 119 -10.936  -4.227   7.802
  894    HD3  ARG 119           HD1      ARG 119 -10.952  -4.980   6.209
  895    HE   ARG 119           HE       ARG 119 -11.962  -6.943   7.423
  896   HH11  ARG 119          HH11      ARG 119 -12.621  -3.576   8.304
  897   HH12  ARG 119          HH12      ARG 119 -14.044  -3.935   9.158
  898   HH21  ARG 119          HH21      ARG 119 -13.971  -7.402   8.568
  899   HH22  ARG 119          HH22      ARG 119 -14.831  -6.148   9.302
  900    H    TRP 120           HN       TRP 120  -5.594  -4.783   7.012
  901    HA   TRP 120           HA       TRP 120  -5.008  -2.595   5.225
  902    HB2  TRP 120           HB2      TRP 120  -2.999  -1.785   6.293
  903    HB3  TRP 120           HB1      TRP 120  -4.327  -1.658   7.436
  904    HD1  TRP 120           HD1      TRP 120  -0.964  -3.246   6.910
  905    HE1  TRP 120           HE1      TRP 120  -0.243  -4.498   9.006
  906    HE3  TRP 120           HE3      TRP 120  -5.358  -3.037   9.481
  907    HZ2  TRP 120           HZ2      TRP 120  -1.400  -5.305  11.467
  908    HZ3  TRP 120           HZ3      TRP 120  -5.459  -4.071  11.701
  909    HH2  TRP 120           HH2      TRP 120  -3.525  -5.180  12.670
  910    H    ILE 121           HN       ILE 121  -2.810  -2.811   4.226
  911    HA   ILE 121           HA       ILE 121  -2.044  -5.639   4.009
  912    HB   ILE 121           HB       ILE 121  -2.176  -3.597   1.764
  913   HG12  ILE 121          HG12      ILE 121  -3.739  -6.149   2.008
  914   HG13  ILE 121          HG11      ILE 121  -4.370  -4.632   2.619
  915   HG21  ILE 121          HG21      ILE 121  -1.446  -6.537   1.668
  916   HG22  ILE 121          HG22      ILE 121  -0.299  -5.208   1.564
  917   HG23  ILE 121          HG23      ILE 121  -1.514  -5.420   0.301
  918   HD11  ILE 121          HD11      ILE 121  -4.233  -3.697   0.351
  919   HD12  ILE 121          HD12      ILE 121  -5.241  -5.142   0.396
  920   HD13  ILE 121          HD13      ILE 121  -3.591  -5.228  -0.233
  921    H    CYS 122           HN       CYS 122   0.020  -5.965   4.306
  922    HA   CYS 122           HA       CYS 122   1.899  -3.680   4.344
  923    HB2  CYS 122           HB2      CYS 122   2.105  -6.394   5.649
  924    HB3  CYS 122           HB1      CYS 122   3.324  -5.140   5.727
  925    H    GLN 123           HN       GLN 123   3.885  -3.932   3.244
  926    HA   GLN 123           HA       GLN 123   4.204  -6.455   1.852
  927    HB2  GLN 123           HB2      GLN 123   4.972  -5.488  -0.152
  928    HB3  GLN 123           HB1      GLN 123   3.528  -4.583   0.250
  929    HG2  GLN 123           HG2      GLN 123   4.765  -2.697   0.889
  930    HG3  GLN 123           HG1      GLN 123   6.272  -3.615   0.958
  931   HE21  GLN 123          HE21      GLN 123   7.375  -2.455  -0.502
  932   HE22  GLN 123          HE22      GLN 123   6.990  -2.326  -2.162
  933    H    LYS 124           HN       LYS 124   6.203  -7.193   1.789
  934    HA   LYS 124           HA       LYS 124   8.164  -5.779   3.495
  935    HB2  LYS 124           HB2      LYS 124   7.017  -7.937   4.303
  936    HB3  LYS 124           HB1      LYS 124   7.962  -8.735   3.062
  937    HG2  LYS 124           HG2      LYS 124  10.006  -8.037   4.141
  938    HG3  LYS 124           HG1      LYS 124   9.073  -7.221   5.405
  939    HD2  LYS 124           HD2      LYS 124   7.955  -9.337   5.912
  940    HD3  LYS 124           HD1      LYS 124   8.950 -10.135   4.708
  941    HE2  LYS 124           HE2      LYS 124   9.771  -8.920   7.337
  942    HE3  LYS 124           HE1      LYS 124   9.858 -10.605   6.751
  943    HZ1  LYS 124           HZ1      LYS 124  12.036  -9.505   6.757
  944    HZ2  LYS 124           HZ2      LYS 124  11.521  -8.400   5.608
  945    HZ3  LYS 124           HZ3      LYS 124  11.595 -10.037   5.233
  946    H    GLU 125           HN       GLU 125   9.833  -5.128   2.273
  947    HA   GLU 125           HA       GLU 125  10.039  -6.024  -0.425
  948    HB2  GLU 125           HB2      GLU 125  10.289  -3.724   0.094
  949    HB3  GLU 125           HB1      GLU 125  11.645  -4.027   1.179
  950    HG2  GLU 125           HG2      GLU 125  12.987  -4.645  -0.744
  951    HG3  GLU 125           HG1      GLU 125  11.576  -4.446  -1.791
  952    H    LEU 126           HN       LEU 126  11.150  -7.637  -1.166
  953    HA   LEU 126           HA       LEU 126  12.934  -9.161   0.495
  954    HB2  LEU 126           HB2      LEU 126  12.123  -9.459  -2.401
  955    HB3  LEU 126           HB1      LEU 126  13.357 -10.473  -1.721
  956    HG   LEU 126           HG       LEU 126  11.507 -11.803  -1.672
  957   HD11  LEU 126          HD11      LEU 126  12.577 -11.798   0.455
  958   HD12  LEU 126          HD12      LEU 126  10.816 -12.074   0.551
  959   HD13  LEU 126          HD13      LEU 126  11.478 -10.489   0.962
  960   HD21  LEU 126          HD21      LEU 126   9.839 -10.135  -2.253
  961   HD22  LEU 126          HD22      LEU 126   9.878  -9.566  -0.579
  962   HD23  LEU 126          HD23      LEU 126   9.347 -11.209  -0.944
  963    H    TYR 127           HN       TYR 127  13.245  -6.950  -2.140
  964    HA   TYR 127           HA       TYR 127  15.884  -6.379  -1.323
  965    HB2  TYR 127           HB2      TYR 127  17.012  -6.686  -3.506
  966    HB3  TYR 127           HB1      TYR 127  16.501  -8.203  -2.808
  967    HD1  TYR 127           HD2      TYR 127  14.479  -9.325  -3.789
  968    HD2  TYR 127           HD1      TYR 127  16.350  -6.027  -5.671
  969    HE1  TYR 127           HE2      TYR 127  13.491 -10.009  -5.883
  970    HE2  TYR 127           HE1      TYR 127  15.335  -6.678  -7.826
  971    HH   TYR 127           HH       TYR 127  14.492  -8.908  -8.816
  972    H    HIS 128           HN       HIS 128  16.374  -4.394  -1.629
  973    HA   HIS 128           HA       HIS 128  14.211  -2.709  -2.209
  974    HB2  HIS 128           HB2      HIS 128  15.958  -2.193  -0.522
  975    HB3  HIS 128           HB1      HIS 128  17.093  -1.891  -1.832
  976    HD1  HIS 128           HD1      HIS 128  13.682  -0.640  -0.736
  977    HD2  HIS 128           HD2      HIS 128  17.129   0.724  -2.607
  978    HE1  HIS 128           HE1      HIS 128  13.334   1.823  -1.098
  979    HE2  HIS 128           HE2      HIS 128  15.313   2.568  -2.410
  980    H    GLU 129           HN       GLU 129  13.709  -1.432  -3.816
  981    HA   GLU 129           HA       GLU 129  14.306  -1.836  -6.424
  982    HB2  GLU 129           HB2      GLU 129  13.723   0.834  -5.112
  983    HB3  GLU 129           HB1      GLU 129  13.589   0.515  -6.836
  984    HG2  GLU 129           HG2      GLU 129  11.857  -1.168  -6.374
  985    HG3  GLU 129           HG1      GLU 129  11.992  -0.807  -4.658
  986    H    THR 130           HN       THR 130  16.083  -1.784  -7.512
  987    HA   THR 130           HA       THR 130  18.492  -1.167  -6.253
  988    HB   THR 130           HB       THR 130  18.025  -1.798  -9.168
  989    HG1  THR 130           HG1      THR 130  17.625  -3.172  -6.873
  990   HG21  THR 130          HG21      THR 130  20.323  -2.699  -9.037
  991   HG22  THR 130          HG22      THR 130  20.390  -2.215  -7.334
  992   HG23  THR 130          HG23      THR 130  20.303  -0.987  -8.581
  993    H    LEU 131           HN       LEU 131  19.854   0.442  -6.374
  994    HA   LEU 131           HA       LEU 131  18.852   2.963  -7.354
  995    HB2  LEU 131           HB2      LEU 131  21.403   2.333  -5.844
  996    HB3  LEU 131           HB1      LEU 131  20.793   3.933  -6.183
  997    HG   LEU 131           HG       LEU 131  20.330   3.538  -3.920
  998   HD11  LEU 131          HD11      LEU 131  17.891   3.510  -3.744
  999   HD12  LEU 131          HD12      LEU 131  17.802   3.074  -5.450
 1000   HD13  LEU 131          HD13      LEU 131  18.523   4.611  -4.960
 1001   HD21  LEU 131          HD21      LEU 131  19.176   0.861  -4.692
 1002   HD22  LEU 131          HD22      LEU 131  19.086   1.563  -3.076
 1003   HD23  LEU 131          HD23      LEU 131  20.653   1.153  -3.779
 1004    H    SER 132           HN       SER 132  20.268   4.410  -8.612
 1005    HA   SER 132           HA       SER 132  21.187   3.012 -10.869
 1006    HB2  SER 132           HB2      SER 132  21.753   5.456 -11.553
 1007    HB3  SER 132           HB1      SER 132  20.064   4.970 -11.383
 1008    HG   SER 132           HG       SER 132  20.174   6.771 -10.258
 1009    H    ASN 133           HN       ASN 133  22.985   2.010 -10.900
 1010    HA   ASN 133           HA       ASN 133  25.132   1.508 -10.976
 1011    HB2  ASN 133           HB2      ASN 133  25.649   4.427 -10.468
 1012    HB3  ASN 133           HB1      ASN 133  26.938   3.241 -10.676
 1013   HD21  ASN 133          HD21      ASN 133  27.149   2.201 -12.731
 1014   HD22  ASN 133          HD22      ASN 133  26.481   2.909 -14.135
 1015    H    TYR 134           HN       TYR 134  25.501   3.686  -8.232
 1016    HA   TYR 134           HA       TYR 134  26.211   1.206  -6.849
 1017    HB2  TYR 134           HB2      TYR 134  27.728   3.751  -7.018
 1018    HB3  TYR 134           HB1      TYR 134  28.099   2.515  -5.793
 1019    HD1  TYR 134           HD1      TYR 134  28.526   0.111  -6.931
 1020    HD2  TYR 134           HD2      TYR 134  28.940   3.854  -8.912
 1021    HE1  TYR 134           HE1      TYR 134  30.036  -0.925  -8.566
 1022    HE2  TYR 134           HE2      TYR 134  30.442   2.824 -10.556
 1023    HH   TYR 134           HH       TYR 134  30.744  -0.462 -10.949
 1024    H    VAL 135           HN       VAL 135  26.473   1.562  -4.503
 1025    HA   VAL 135           HA       VAL 135  24.451   3.428  -3.469
 1026    HB   VAL 135           HB       VAL 135  25.412   0.835  -2.207
 1027   HG11  VAL 135          HG11      VAL 135  24.687   2.450  -0.558
 1028   HG12  VAL 135          HG12      VAL 135  23.511   1.136  -0.663
 1029   HG13  VAL 135          HG13      VAL 135  23.168   2.692  -1.419
 1030   HG21  VAL 135          HG21      VAL 135  24.114   0.355  -4.212
 1031   HG22  VAL 135          HG22      VAL 135  22.821   1.410  -3.647
 1032   HG23  VAL 135          HG23      VAL 135  23.192  -0.077  -2.770
 1033    H    GLY 136           HN       GLY 136  27.633   1.977  -3.003
 1034    HA2  GLY 136           HA2      GLY 136  29.544   3.013  -2.221
 1035    HA3  GLY 136           HA1      GLY 136  28.584   4.432  -1.825
 1036    H    TYR 137           HN       TYR 137  29.001   4.822   0.217
 1037    HA   TYR 137           HA       TYR 137  28.537   2.680   2.215
 1038    HB2  TYR 137           HB2      TYR 137  30.686   4.827   2.340
 1039    HB3  TYR 137           HB1      TYR 137  30.335   3.675   3.626
 1040    HD1  TYR 137           HD1      TYR 137  30.825   1.265   3.285
 1041    HD2  TYR 137           HD2      TYR 137  31.992   4.207   0.442
 1042    HE1  TYR 137           HE1      TYR 137  32.361  -0.347   2.250
 1043    HE2  TYR 137           HE2      TYR 137  33.533   2.600  -0.597
 1044    HH   TYR 137           HH       TYR 137  34.719   0.584   0.004
 1045    H    GLY 138           HN       GLY 138  27.115   4.936   0.974
 1046    HA2  GLY 138           HA2      GLY 138  25.394   5.802   2.893
 1047    HA3  GLY 138           HA1      GLY 138  26.667   7.044   2.815
 1048    H    HIS 139           HN       HIS 139  27.530   7.007   0.418
 1049    HA   HIS 139           HA       HIS 139  26.079   6.381  -1.720
 1050    HB2  HIS 139           HB2      HIS 139  24.651   8.451  -0.838
 1051    HB3  HIS 139           HB1      HIS 139  26.030   9.395  -1.413
 1052    HD1  HIS 139           HD1      HIS 139  22.943   7.824  -2.551
 1053    HD2  HIS 139           HD2      HIS 139  26.531   8.984  -4.299
 1054    HE1  HIS 139           HE1      HIS 139  22.523   7.813  -5.002
 1055    HE2  HIS 139           HE2      HIS 139  24.671   8.632  -6.042