*HEADER    UNKNOWN FUNCTION                        15-MAY-14   2MPE              
*TITLE     SOLUTION NMR STRUCTURE FOR B. PSEUDOMALLEI BPSL1050                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BPSL1050;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI;                      
*SOURCE   3 ORGANISM_TAXID: 272560;                                              
*SOURCE   4 STRAIN: K96243;                                                      
*SOURCE   5 GENE: BPSL1050;                                                      
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PETM11                                     
*KEYWDS    MELIOIDOSIS, UNKNOWN FUNCTION                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    D.GAUDESI, G.MUSCO, G.QUILICI                                         
*REVDAT   1   11-MAR-15 2MPE    0                                                


assign (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD12) 4.366 2.383 2.383 weight 1.000 ! spec=13C_...spin, no=114, id=1401, vol=6.743396e+06
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  126 and name HD12)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD12) 2.829 1.000 1.000 weight 1.000 ! spec=13C_...spin, no=119, id=1404, vol=2.595098e+07
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  126 and name HD12)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD12) 2.656 0.882 0.882 weight 1.000 ! spec=13C_...spin, no=164, id=1434, vol=4.043094e+07
    or (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD11)
    or (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD13)
    or (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD22)
    or (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD22) 1.135 0.161 4.865 weight 1.000 ! spec=13C_...spin, no=206, id=1459, vol=2.347316e+09
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD21)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD23)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD12)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD11)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD13)
assign (segid "   A" and resid  116 and name  HB2) (segid "   A" and resid  116 and name  HG2) 2.585 0.835 0.835 weight 1.000 ! spec=13C_...spin, no=245, id=1478, vol=6.773404e+07
    or (segid "   A" and resid  116 and name  HB2) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  114 and name  HD1) (segid "   A" and resid  114 and name  HG2) 2.176 0.592 0.592 weight 1.000 ! spec=13C_...spin, no=287, id=1489, vol=1.451629e+08
    or (segid "   A" and resid  114 and name  HD2) (segid "   A" and resid  114 and name  HG2)
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD22) 3.621 1.639 1.639 weight 1.000 ! spec=13C_...spin, no=317, id=1507, vol=1.734184e+07
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   29 and name HD12)
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   29 and name HD11)
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   29 and name HD13)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   29 and name HD12)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   29 and name HD11)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   29 and name HD13)
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG22) 4.194 2.199 2.199 weight 1.000 ! spec=13C_...spin, no=325, id=1510, vol=5.862806e+06
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HD12)
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HD13)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HD12)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HD13)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HG1) 3.440 1.479 1.479 weight 1.000 ! spec=13C_...spin, no=378, id=1545, vol=3.111546e+07
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HG2)
assign (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  107 and name  HG1) 3.343 1.397 1.397 weight 1.000 ! spec=13C_...spin, no=390, id=1552, vol=1.365329e+07
    or (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  107 and name  HG2)
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HG1) 2.436 0.742 0.742 weight 1.000 ! spec=13C_...spin, no=392, id=1554, vol=6.834169e+07
    or (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HG2)
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB2) 2.379 0.708 0.708 weight 1.000 ! spec=13C_...spin, no=399, id=1560, vol=9.939675e+07
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB1)
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB3)
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  102 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=13C_...spin, no=410, id=1565, vol=4.790838e+07
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  102 and name   HA)
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  105 and name  HB2) 2.752 0.946 0.946 weight 1.000 ! spec=13C_...spin, no=411, id=1566, vol=6.774742e+07
    or (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  102 and name  HB2) 4.170 2.173 2.173 weight 1.000 ! spec=13C_...spin, no=412, id=1567, vol=1.274809e+07
    or (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  102 and name  HB3)
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  102 and name  HB2)
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  102 and name  HB3)
assign (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  111 and name  HE1) 3.179 1.263 1.263 weight 1.000 ! spec=13C_...spin, no=430, id=1582, vol=1.012084e+08
    or (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  111 and name  HD2)
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name  HB2) 2.555 0.816 0.816 weight 1.000 ! spec=13C_...spin, no=488, id=1612, vol=7.062449e+07
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name  HB1)
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name  HB2) 2.467 0.761 0.761 weight 1.000 ! spec=13C_...spin, no=521, id=1620, vol=5.698883e+07
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name  HB2)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name  HB2)
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD22)
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD23)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD22)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD23)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD22)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD23)
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HD1) 3.223 1.298 1.298 weight 1.000 ! spec=13C_...spin, no=554, id=1630, vol=3.858478e+07
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HD2)
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   97 and name  HG2) 4.360 2.376 2.376 weight 1.000 ! spec=13C_...spin, no=569, id=1632, vol=1.337406e+07
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   97 and name  HG1)
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid  100 and name  HB2) 3.487 1.520 1.520 weight 1.000 ! spec=13C_...spin, no=570, id=1633, vol=1.220103e+07
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid  100 and name  HB1)
assign (segid "   A" and resid   97 and name  HB2) (segid "   A" and resid   97 and name  HG1) 2.499 0.781 0.781 weight 1.000 ! spec=13C_...spin, no=574, id=1635, vol=8.911427e+07
    or (segid "   A" and resid   97 and name  HB2) (segid "   A" and resid   97 and name  HG2)
    or (segid "   A" and resid   97 and name  HB1) (segid "   A" and resid   97 and name  HG1)
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   97 and name  HB2) 3.369 1.419 1.419 weight 1.000 ! spec=13C_...spin, no=576, id=1637, vol=1.590726e+07
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   97 and name  HB1)
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name  HB2) 4.284 2.295 2.295 weight 1.000 ! spec=13C_...spin, no=586, id=1640, vol=3.515088e+06
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name   HG)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB1) 4.044 2.044 2.044 weight 1.000 ! spec=13C_...spin, no=623, id=1664, vol=5.753090e+06
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB2)
assign (segid "   A" and resid   91 and name  HG1) (segid "   A" and resid   91 and name   HA) 3.634 1.651 1.651 weight 1.000 ! spec=13C_...spin, no=631, id=1671, vol=2.304122e+07
    or (segid "   A" and resid   91 and name  HG2) (segid "   A" and resid   91 and name   HA)
assign (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HB1) 3.033 1.150 1.150 weight 1.000 ! spec=13C_...spin, no=635, id=1673, vol=3.155154e+07
    or (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HB2)
assign (segid "   A" and resid   90 and name  HG1) (segid "   A" and resid   87 and name   HA) 3.800 1.805 1.805 weight 1.000 ! spec=13C_...spin, no=640, id=1678, vol=1.180758e+07
    or (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HG1) 3.487 1.520 1.520 weight 1.000 ! spec=13C_...spin, no=642, id=1680, vol=1.541724e+07
    or (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HG2)
assign (segid "   A" and resid   90 and name  HG1) (segid "   A" and resid   89 and name  HB2) 5.251 3.447 3.447 weight 1.000 ! spec=13C_...spin, no=643, id=1681, vol=9.314716e+06
    or (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   90 and name  HG1) (segid "   A" and resid   89 and name  HB1) 3.699 1.710 1.710 weight 1.000 ! spec=13C_...spin, no=644, id=1682, vol=1.407673e+07
    or (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   89 and name  HB1)
assign (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   90 and name  HG2) 2.508 0.786 0.786 weight 1.000 ! spec=13C_...spin, no=645, id=1683, vol=1.040994e+08
    or (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   90 and name  HG1)
    or (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   90 and name  HG1)
assign (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   89 and name  HB1) 3.313 1.372 1.372 weight 1.000 ! spec=13C_...spin, no=648, id=1685, vol=2.428745e+07
    or (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   92 and name  HB1)
assign (segid "   A" and resid   90 and name  HG1) (segid "   A" and resid   89 and name  HD1) 5.104 3.256 3.256 weight 1.000 ! spec=13C_...spin, no=662, id=1698, vol=6.499094e+06
    or (segid "   A" and resid   90 and name  HG1) (segid "   A" and resid   89 and name  HD2)
    or (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   89 and name  HD1)
    or (segid "   A" and resid   90 and name  HG2) (segid "   A" and resid   89 and name  HD2)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=13C_...spin, no=671, id=1704, vol=9.214253e+07
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name  HB1)
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   91 and name  HB1)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name  HD2) 3.310 1.369 1.369 weight 1.000 ! spec=13C_...spin, no=673, id=1705, vol=3.313504e+07
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name  HD1)
assign (segid "   A" and resid   88 and name  HB1) (segid "   A" and resid   88 and name  HG2) 2.606 0.849 0.849 weight 1.000 ! spec=13C_...spin, no=674, id=1706, vol=6.435001e+07
    or (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   88 and name  HG2)
    or (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   88 and name  HG1)
assign (segid "   A" and resid   87 and name  HB2) (segid "   A" and resid   87 and name   HA) 2.002 0.501 0.501 weight 1.000 ! spec=13C_...spin, no=683, id=1709, vol=2.083492e+08
    or (segid "   A" and resid   87 and name  HB1) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   87 and name  HB3) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   83 and name  HB2) (segid "   A" and resid   83 and name   HA)
    or (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   83 and name   HA)
    or (segid "   A" and resid   83 and name  HB3) (segid "   A" and resid   83 and name   HA)
assign (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   87 and name  HB2) 4.214 2.219 2.219 weight 1.000 ! spec=13C_...spin, no=710, id=1726, vol=1.303875e+07
    or (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   87 and name  HB1)
    or (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   87 and name  HB3)
    or (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   83 and name  HB2)
    or (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   83 and name  HB1)
    or (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   83 and name  HB3)
assign (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   87 and name  HB2) 5.452 3.716 3.716 weight 1.000 ! spec=13C_...spin, no=711, id=1727, vol=2.990850e+06
    or (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   87 and name  HB1)
    or (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   87 and name  HB3)
    or (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   83 and name  HB2)
    or (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   83 and name  HB1)
    or (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   83 and name  HB3)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HG2) 2.622 0.859 0.859 weight 1.000 ! spec=13C_...spin, no=717, id=1733, vol=7.429864e+07
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HB1)
assign (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   81 and name  HB1) 2.899 1.050 1.050 weight 1.000 ! spec=13C_...spin, no=730, id=1743, vol=4.664303e+07
    or (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   81 and name  HB2)
assign (segid "   A" and resid   81 and name  HG2) (segid "   A" and resid   81 and name  HB1) 2.734 0.935 0.935 weight 1.000 ! spec=13C_...spin, no=733, id=1746, vol=6.383555e+07
    or (segid "   A" and resid   81 and name  HG2) (segid "   A" and resid   81 and name  HB2)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name   HG) 2.941 1.081 1.081 weight 1.000 ! spec=13C_...spin, no=763, id=1769, vol=1.424180e+07
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name   HG)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name   HG)
    or (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name  HB1)
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name  HB1)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name  HB1)
assign (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD22) 2.428 0.737 0.737 weight 1.000 ! spec=13C_...spin, no=767, id=1773, vol=4.216706e+07
    or (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD23)
    or (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD22)
    or (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.596 0.843 0.843 weight 1.000 ! spec=13C_...spin, no=779, id=1780, vol=7.126034e+07
    or (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   79 and name  HG1) (segid "   A" and resid   79 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=13C_...spin, no=781, id=1781, vol=4.285554e+07
    or (segid "   A" and resid   79 and name  HG2) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   13 and name  HD1) 4.364 2.380 2.380 weight 1.000 ! spec=13C_...spin, no=830, id=1814, vol=6.578394e+06
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   13 and name  HE2)
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HG2) 2.893 1.046 1.046 weight 1.000 ! spec=13C_...spin, no=831, id=1815, vol=6.062657e+07
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HG1)
assign (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   73 and name  HB1) 2.936 1.077 1.077 weight 1.000 ! spec=13C_...spin, no=851, id=1825, vol=3.378241e+07
    or (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name   HA)
assign (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD22) 4.958 3.073 3.073 weight 1.000 ! spec=13C_...spin, no=918, id=1873, vol=1.780482e+06
    or (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  103 and name  HE3)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  103 and name  HE3)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  103 and name  HE3)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB2) 2.836 1.006 1.006 weight 1.000 ! spec=13C_...spin, no=928, id=1881, vol=2.686513e+07
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD22) 2.392 0.715 0.715 weight 1.000 ! spec=13C_...spin, no=932, id=1885, vol=5.915435e+07
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG22) 2.799 0.979 0.979 weight 1.000 ! spec=13C_...spin, no=953, id=1903, vol=4.159332e+07
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG23)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG12)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name  HB2) 2.301 0.662 0.662 weight 1.000 ! spec=13C_...spin, no=961, id=1909, vol=8.727217e+07
    or (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name   HG)
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD12) 2.599 0.844 0.844 weight 1.000 ! spec=13C_...spin, no=968, id=1914, vol=3.873370e+07
    or (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD11)
    or (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD13)
    or (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   93 and name   HG) (segid "   A" and resid   89 and name  HE1) 3.224 1.299 1.299 weight 1.000 ! spec=13C_...spin, no=982, id=1918, vol=3.727446e+07
    or (segid "   A" and resid   93 and name   HG) (segid "   A" and resid   89 and name  HE2)
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   93 and name   HG)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   93 and name   HG)
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   65 and name  HB1) 2.148 0.577 0.577 weight 1.000 ! spec=13C_...spin, no=989, id=1923, vol=1.984784e+08
    or (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   65 and name  HB2)
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   65 and name  HG2) 5.225 3.413 3.413 weight 1.000 ! spec=13C_...spin, no=990, id=1924, vol=4.919776e+06
    or (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   65 and name  HG1)
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB2) 2.854 1.018 1.018 weight 1.000 ! spec=13C_...spin, no=1039, id=1958, vol=4.050730e+07
    or (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB1)
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name  HD2) 3.692 1.704 1.704 weight 1.000 ! spec=13C_...spin, no=1043, id=1962, vol=9.284708e+06
    or (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name  HD1)
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HD2) 3.022 1.142 1.142 weight 1.000 ! spec=13C_...spin, no=1044, id=1963, vol=4.956862e+07
    or (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HD1)
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HG1) 3.202 1.282 1.282 weight 1.000 ! spec=13C_...spin, no=1048, id=1966, vol=2.941491e+07
    or (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HG2)
assign (segid "   A" and resid   60 and name  HG2) (segid "   A" and resid   60 and name  HD2) 2.719 0.924 0.924 weight 1.000 ! spec=13C_...spin, no=1049, id=1967, vol=4.599987e+07
    or (segid "   A" and resid   60 and name  HG2) (segid "   A" and resid   60 and name  HD1)
    or (segid "   A" and resid   60 and name  HG1) (segid "   A" and resid   60 and name  HD2)
assign (segid "   A" and resid   59 and name   HA) (segid "   A" and resid   59 and name   HB) 2.824 0.997 0.997 weight 1.000 ! spec=13C_...spin, no=1052, id=1968, vol=3.400386e+07
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name   HB)
assign (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   59 and name   HA) 1.594 0.318 4.406 weight 1.000 ! spec=13C_...spin, no=1056, id=1972, vol=9.165460e+08
    or (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name   HA)
assign (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   59 and name   HB) 2.189 0.599 0.599 weight 1.000 ! spec=13C_...spin, no=1057, id=1973, vol=7.748550e+07
    or (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   59 and name   HB)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   59 and name   HB)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name   HB)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name   HB)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name   HB)
assign (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   58 and name   HA) 2.049 0.525 0.525 weight 1.000 ! spec=13C_...spin, no=1060, id=1974, vol=3.797463e+08
    or (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name   HA)
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name  HG1) 3.276 1.341 1.341 weight 1.000 ! spec=13C_...spin, no=1067, id=1981, vol=2.878166e+07
    or (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name  HG2)
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name  HB1) 2.865 1.026 1.026 weight 1.000 ! spec=13C_...spin, no=1068, id=1982, vol=5.047388e+07
    or (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name  HB2)
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name  HB1) 2.400 0.720 0.720 weight 1.000 ! spec=13C_...spin, no=1072, id=1985, vol=1.249589e+08
    or (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name  HB2)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HD1) 4.557 2.596 2.596 weight 1.000 ! spec=13C_...spin, no=1075, id=1988, vol=5.638656e+06
    or (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HG1) 3.309 1.369 1.369 weight 1.000 ! spec=13C_...spin, no=1077, id=1990, vol=3.897417e+07
    or (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HB2)
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HG1) 1.910 0.456 0.456 weight 1.000 ! spec=13C_...spin, no=1079, id=1992, vol=1.874984e+08
    or (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HB1)
assign (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HD2) 4.556 2.595 2.595 weight 1.000 ! spec=13C_...spin, no=1080, id=1993, vol=4.942571e+06
    or (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HD1)
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HD1) 4.457 2.483 2.483 weight 1.000 ! spec=13C_...spin, no=1081, id=1994, vol=9.848269e+06
    or (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HG2) 4.443 2.468 2.468 weight 1.000 ! spec=13C_...spin, no=1084, id=1997, vol=7.556948e+06
    or (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HG1)
assign (segid "   A" and resid   54 and name  HG2) (segid "   A" and resid   54 and name  HD2) 2.687 0.902 0.902 weight 1.000 ! spec=13C_...spin, no=1085, id=1998, vol=4.905964e+07
    or (segid "   A" and resid   54 and name  HG2) (segid "   A" and resid   54 and name  HD1)
    or (segid "   A" and resid   54 and name  HG1) (segid "   A" and resid   54 and name  HD1)
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name  HB2) 2.083 0.543 0.543 weight 1.000 ! spec=13C_...spin, no=1086, id=1999, vol=2.187785e+08
    or (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HG1)
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   54 and name  HD1) 2.370 0.702 0.702 weight 1.000 ! spec=13C_...spin, no=1092, id=2002, vol=7.423714e+07
    or (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG12) 2.847 1.013 1.013 weight 1.000 ! spec=13C_...spin, no=1100, id=2004, vol=2.464181e+07
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG13)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG22)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG12) 2.297 0.660 0.660 weight 1.000 ! spec=13C_...spin, no=1102, id=2005, vol=5.924022e+07
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG13)
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG22)
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD12) 2.031 0.516 0.516 weight 1.000 ! spec=13C_...spin, no=1119, id=2016, vol=1.215590e+08
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD13)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG22) 2.027 0.514 0.514 weight 1.000 ! spec=13C_...spin, no=1127, id=2020, vol=1.034267e+08
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HD12)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HD13)
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB2) 3.840 1.843 1.843 weight 1.000 ! spec=13C_...spin, no=1135, id=2028, vol=5.170717e+06
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB1)
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HG2) 3.439 1.479 1.479 weight 1.000 ! spec=13C_...spin, no=1138, id=2029, vol=3.621301e+07
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HG1)
assign (segid "   A" and resid   50 and name  HD2) (segid "   A" and resid   50 and name   HA) 6.449 5.199 5.199 weight 1.000 ! spec=13C_...spin, no=1144, id=2034, vol=2.445872e+06
    or (segid "   A" and resid   50 and name  HD1) (segid "   A" and resid   50 and name   HA)
assign (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG22) 2.810 0.987 0.987 weight 1.000 ! spec=13C_...spin, no=1149, id=2038, vol=2.429004e+07
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG23)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG12)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   37 and name HG13)
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HG2) 4.858 2.950 2.950 weight 1.000 ! spec=13C_...spin, no=1167, id=2051, vol=4.448474e+06
    or (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HG1)
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HB1) 2.292 0.657 0.657 weight 1.000 ! spec=13C_...spin, no=1168, id=2052, vol=1.191255e+08
    or (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name  HG1) 3.370 1.420 1.420 weight 1.000 ! spec=13C_...spin, no=1172, id=2056, vol=1.304704e+07
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   48 and name  HG2)
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   48 and name  HG1)
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   13 and name  HE1) 3.626 1.643 1.643 weight 1.000 ! spec=13C_...spin, no=1178, id=2059, vol=1.468768e+07
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG21) 2.532 0.801 0.801 weight 1.000 ! spec=13C_...spin, no=1179, id=2060, vol=4.744144e+07
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG21)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG23)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   13 and name  HE1) 3.011 1.134 1.134 weight 1.000 ! spec=13C_...spin, no=1181, id=2061, vol=3.500488e+07
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   40 and name   HA) 5.561 3.866 3.866 weight 1.000 ! spec=13C_...spin, no=1201, id=2071, vol=3.359290e+06
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   40 and name   HA)
    or (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   44 and name  HA2)
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   44 and name  HA2)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB1) 2.836 1.005 1.005 weight 1.000 ! spec=13C_...spin, no=1237, id=2093, vol=4.438314e+07
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG12) 2.544 0.809 0.809 weight 1.000 ! spec=13C_...spin, no=1280, id=2122, vol=3.929155e+07
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG13)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG22)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG12) 2.226 0.619 0.619 weight 1.000 ! spec=13C_...spin, no=1282, id=2124, vol=7.207142e+07
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG13)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG22)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.585 0.835 0.835 weight 1.000 ! spec=13C_...spin, no=1288, id=2130, vol=9.190014e+07
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB2) 2.609 0.851 0.851 weight 1.000 ! spec=13C_...spin, no=1299, id=2139, vol=8.003071e+07
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   54 and name  HD1) 3.144 1.235 1.235 weight 1.000 ! spec=13C_...spin, no=1311, id=2143, vol=3.180331e+07
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HD1) 1.966 0.483 0.483 weight 1.000 ! spec=13C_...spin, no=1326, id=2151, vol=3.016561e+08
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HD2)
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HD1) 1.529 0.292 4.471 weight 1.000 ! spec=13C_...spin, no=1332, id=2154, vol=1.821341e+09
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HD2)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD22) 2.126 0.565 0.565 weight 1.000 ! spec=13C_...spin, no=1391, id=2196, vol=9.602774e+07
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD23)
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD22)
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   28 and name  HB1) 3.101 1.202 1.202 weight 1.000 ! spec=13C_...spin, no=1409, id=2208, vol=2.212190e+07
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HB)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG11) 3.847 1.849 1.849 weight 1.000 ! spec=13C_...spin, no=1411, id=2210, vol=5.883736e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG12)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG12) 4.102 2.104 2.104 weight 1.000 ! spec=13C_...spin, no=1419, id=2213, vol=3.242897e+06
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG11)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG11) 2.106 0.554 0.554 weight 1.000 ! spec=13C_...spin, no=1421, id=2215, vol=2.325941e+08
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB2)
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HB2)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HE3)
assign (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HG22) 2.819 0.993 0.993 weight 1.000 ! spec=13C_...spin, no=1425, id=2216, vol=3.124566e+07
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HG22)
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HG23)
assign (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HD12) 1.868 0.436 0.436 weight 1.000 ! spec=13C_...spin, no=1426, id=2217, vol=2.112465e+08
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HD11)
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name HD13)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HD12)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HD11)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name HD13)
assign (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB2) 2.559 0.819 0.819 weight 1.000 ! spec=13C_...spin, no=1444, id=2227, vol=5.082277e+07
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB3)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG12) 2.270 0.644 0.644 weight 1.000 ! spec=13C_...spin, no=1449, id=2232, vol=1.536231e+08
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG11)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG11) 3.490 1.522 1.522 weight 1.000 ! spec=13C_...spin, no=1456, id=2239, vol=8.784752e+06
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   21 and name HD12) 2.566 0.823 0.823 weight 1.000 ! spec=13C_...spin, no=1466, id=2249, vol=3.041981e+07
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   13 and name  HE1) 3.110 1.209 1.209 weight 1.000 ! spec=13C_...spin, no=1483, id=2263, vol=4.947936e+07
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   13 and name  HE1)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   13 and name  HE2)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 3.300 1.361 1.361 weight 1.000 ! spec=13C_...spin, no=1507, id=2281, vol=4.695863e+07
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HG2)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HD1) 5.530 3.822 3.822 weight 1.000 ! spec=13C_...spin, no=1559, id=2311, vol=5.632568e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HG1) 1.859 0.432 0.432 weight 1.000 ! spec=13C_...spin, no=1563, id=2314, vol=4.024740e+08
    or (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   91 and name  HG2)
    or (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   91 and name  HG1)
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HD1) 3.255 1.325 1.325 weight 1.000 ! spec=13C_...spin, no=1564, id=2315, vol=2.557994e+07
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HD2) 3.990 1.990 1.990 weight 1.000 ! spec=13C_...spin, no=1567, id=2316, vol=8.656699e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG2) 2.590 0.838 0.838 weight 1.000 ! spec=13C_...spin, no=1570, id=2319, vol=8.583580e+07
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG1)
assign (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HD2) 2.280 0.650 0.650 weight 1.000 ! spec=13C_...spin, no=1576, id=2322, vol=1.428370e+08
    or (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HD2)
    or (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HD2) 2.197 0.603 0.603 weight 1.000 ! spec=13C_...spin, no=1628, id=2344, vol=1.749957e+08
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HD2) 2.927 1.071 1.071 weight 1.000 ! spec=13C_...spin, no=1636, id=2347, vol=7.057753e+07
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HD1) 4.334 2.348 2.348 weight 1.000 ! spec=13C_...spin, no=1639, id=2349, vol=1.369383e+07
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HD1) 3.265 1.332 1.332 weight 1.000 ! spec=13C_...spin, no=1646, id=2353, vol=4.004702e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HD2) 2.564 0.822 0.822 weight 1.000 ! spec=13C_...spin, no=1647, id=2354, vol=6.446275e+07
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD2) 2.872 1.031 1.031 weight 1.000 ! spec=13C_...spin, no=1649, id=2356, vol=3.200786e+07
    or (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB1) 2.394 0.717 0.717 weight 1.000 ! spec=13C_...spin, no=1659, id=2363, vol=1.297923e+08
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB2) 2.624 0.861 0.861 weight 1.000 ! spec=13C_...spin, no=1660, id=2364, vol=7.190887e+07
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name   HA) 3.506 1.536 1.536 weight 1.000 ! spec=13C_...spin, no=1664, id=2366, vol=1.756976e+07
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 3.384 1.431 1.431 weight 1.000 ! spec=13C_...spin, no=1668, id=2369, vol=1.954420e+07
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HG2) 3.028 1.146 1.146 weight 1.000 ! spec=13C_...spin, no=1673, id=2372, vol=3.696250e+07
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HG1)
assign (segid "   A" and resid  120 and name HD12) (segid "   A" and resid  120 and name  HB1) 2.552 0.814 0.814 weight 1.000 ! spec=13C_...spin, no=1824, id=2384, vol=1.771950e+08
    or (segid "   A" and resid  120 and name HD11) (segid "   A" and resid  120 and name  HB1)
    or (segid "   A" and resid  120 and name HD13) (segid "   A" and resid  120 and name  HB1)
    or (segid "   A" and resid  120 and name HD12) (segid "   A" and resid  122 and name   HG)
    or (segid "   A" and resid  120 and name HD11) (segid "   A" and resid  122 and name   HG)
    or (segid "   A" and resid  120 and name HD13) (segid "   A" and resid  122 and name   HG)
assign (segid "   A" and resid  116 and name  HG1) (segid "   A" and resid  116 and name   HA) 4.188 2.192 2.192 weight 1.000 ! spec=13C_...spin, no=1920, id=2396, vol=1.178247e+07
    or (segid "   A" and resid  116 and name  HG2) (segid "   A" and resid  116 and name   HA)
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   48 and name  HG1) 2.329 0.678 0.678 weight 1.000 ! spec=13C_...spin, no=1987, id=2409, vol=7.693284e+07
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   48 and name  HG2)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   81 and name  HB1) 3.731 1.740 1.740 weight 1.000 ! spec=13C_...spin, no=2000, id=2414, vol=1.343892e+07
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   81 and name  HB2)
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name  HE1) 3.200 1.280 1.280 weight 1.000 ! spec=13C_...spin, no=2040, id=2422, vol=6.201749e+07
    or (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name  HD2)
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name  HD2)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name  HD2)
assign (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   48 and name  HB1) 3.529 1.557 1.557 weight 1.000 ! spec=13C_...spin, no=2093, id=2427, vol=5.146553e+07
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   48 and name  HB1)
    or (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   48 and name  HB1)
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   48 and name  HB2)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   48 and name  HB2)
    or (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid   38 and name HG12) (segid "   A" and resid   48 and name  HB1) 3.835 1.839 1.839 weight 1.000 ! spec=13C_...spin, no=2094, id=2428, vol=3.946108e+07
    or (segid "   A" and resid   38 and name HG11) (segid "   A" and resid   48 and name  HB1)
    or (segid "   A" and resid   38 and name HG13) (segid "   A" and resid   48 and name  HB1)
    or (segid "   A" and resid   38 and name HG12) (segid "   A" and resid   48 and name  HB2)
    or (segid "   A" and resid   38 and name HG11) (segid "   A" and resid   48 and name  HB2)
    or (segid "   A" and resid   38 and name HG13) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HD1) 4.520 2.554 2.554 weight 1.000 ! spec=13C_...spin, no=2132, id=2433, vol=6.273189e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HD1) 4.163 2.166 2.166 weight 1.000 ! spec=13C_...spin, no=2156, id=2438, vol=1.268654e+07
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   69 and name  HB2) (segid "   A" and resid   50 and name  HB1) 4.161 2.164 2.164 weight 1.000 ! spec=13C_...spin, no=2254, id=2456, vol=5.898286e+06
    or (segid "   A" and resid   69 and name  HB1) (segid "   A" and resid   50 and name  HB1)
    or (segid "   A" and resid   69 and name  HB3) (segid "   A" and resid   50 and name  HB1)
    or (segid "   A" and resid   69 and name  HB2) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   69 and name  HB1) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   69 and name  HB3) (segid "   A" and resid   50 and name  HB2)
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  116 and name  HG2) 4.005 2.005 2.005 weight 1.000 ! spec=13C_...spin, no=2409, id=2489, vol=1.478054e+07
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  116 and name  HG2)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  116 and name  HG2)
    or (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  116 and name  HG1)
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  116 and name  HG1)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  114 and name  HD2) (segid "   A" and resid   32 and name  HB1) 3.691 1.703 1.703 weight 1.000 ! spec=13C_...spin, no=2551, id=2511, vol=7.753390e+06
    or (segid "   A" and resid  114 and name  HD1) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   54 and name  HD2) (segid "   A" and resid   53 and name  HB2) 3.834 1.838 1.838 weight 1.000 ! spec=13C_...spin, no=2555, id=2512, vol=2.189633e+07
    or (segid "   A" and resid   54 and name  HD2) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   54 and name  HD2) (segid "   A" and resid   53 and name  HB3)
    or (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   53 and name  HB3)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB1) 2.936 1.078 1.078 weight 1.000 ! spec=15N_...last, no=40, id=475, vol=1.713699e+07
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB1) 3.264 1.332 1.332 weight 1.000 ! spec=15N_...last, no=56, id=485, vol=1.659413e+07
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD12)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD13)
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  114 and name   HA) 2.769 0.959 0.959 weight 1.000 ! spec=15N_...last, no=71, id=494, vol=1.403778e+07
    or (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  113 and name  HB1)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HA1) 2.477 0.767 0.767 weight 1.000 ! spec=15N_...last, no=75, id=498, vol=2.633299e+07
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HA2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.972 1.104 1.104 weight 1.000 ! spec=15N_...last, no=77, id=500, vol=1.215411e+07
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name  HB1) 2.145 0.575 0.575 weight 1.000 ! spec=15N_...last, no=147, id=534, vol=4.603984e+07
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name  HB2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=15N_...last, no=209, id=572, vol=1.303222e+07
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HD1) 3.073 1.180 1.180 weight 1.000 ! spec=15N_...last, no=249, id=596, vol=5.812966e+06
    or (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HD2)
assign (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HB1) 3.905 1.906 1.906 weight 1.000 ! spec=15N_...last, no=250, id=597, vol=2.977608e+06
    or (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HB2)
assign (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HG2) 3.458 1.495 1.495 weight 1.000 ! spec=15N_...last, no=252, id=598, vol=2.592876e+06
    or (segid "   A" and resid   50 and name   HE) (segid "   A" and resid   50 and name  HG1)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.678 0.896 0.896 weight 1.000 ! spec=15N_...last, no=259, id=599, vol=1.252156e+07
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG2) 3.078 1.185 1.185 weight 1.000 ! spec=15N_...last, no=260, id=600, vol=8.749959e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG1)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name   HN) 2.371 0.703 0.703 weight 1.000 ! spec=15N_...last, no=268, id=602, vol=3.050618e+07
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name HG22) 3.031 1.148 1.148 weight 1.000 ! spec=15N_...last, no=271, id=605, vol=2.133450e+07
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.113 0.558 0.558 weight 1.000 ! spec=15N_...last, no=313, id=627, vol=7.128517e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HD2) 4.518 2.551 2.551 weight 1.000 ! spec=15N_...last, no=360, id=663, vol=3.699587e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HD1)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.679 0.897 0.897 weight 1.000 ! spec=15N_...last, no=383, id=678, vol=2.068851e+07
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.561 0.820 0.820 weight 1.000 ! spec=15N_...last, no=386, id=680, vol=2.211288e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.122 1.218 1.218 weight 1.000 ! spec=15N_...last, no=413, id=702, vol=7.766642e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HA1) 2.119 0.561 0.561 weight 1.000 ! spec=15N_...last, no=444, id=719, vol=5.136884e+07
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   39 and name   HN)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name  HB1) 2.531 0.801 0.801 weight 1.000 ! spec=15N_...last, no=472, id=735, vol=1.978245e+07
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name  HB2)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG12) 3.181 1.265 1.265 weight 1.000 ! spec=15N_...last, no=506, id=753, vol=1.533764e+07
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name HG22)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name   HN) 3.501 1.532 1.532 weight 1.000 ! spec=15N_...last, no=512, id=758, vol=7.371920e+06
    or (segid "   A" and resid  116 and name HE21) (segid "   A" and resid   67 and name   HN)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HB1) 2.860 1.022 1.022 weight 1.000 ! spec=15N_...last, no=534, id=770, vol=1.076572e+07
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HB2)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=15N_...last, no=535, id=771, vol=1.463912e+07
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name   HA)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name  HB2) 4.235 2.242 2.242 weight 1.000 ! spec=15N_...last, no=543, id=775, vol=4.551033e+06
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name  HB1)
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name  HG2) 3.565 1.589 1.589 weight 1.000 ! spec=15N_...last, no=547, id=778, vol=5.950104e+06
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name  HG1)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB2) 3.371 1.421 1.421 weight 1.000 ! spec=15N_...last, no=550, id=781, vol=3.951791e+06
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB1)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG12) 2.672 0.893 0.893 weight 1.000 ! spec=15N_...last, no=554, id=784, vol=1.023457e+07
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HB1) 4.906 3.009 3.009 weight 1.000 ! spec=15N_...last, no=555, id=785, vol=2.693293e+06
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HD2) 4.992 3.115 3.115 weight 1.000 ! spec=15N_...last, no=563, id=790, vol=2.107178e+06
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HD1)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB1) 2.806 0.984 0.984 weight 1.000 ! spec=15N_...last, no=565, id=792, vol=1.210991e+07
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB2)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HG2) 3.270 1.337 1.337 weight 1.000 ! spec=15N_...last, no=566, id=793, vol=6.606132e+06
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HG1)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG22) 3.306 1.366 1.366 weight 1.000 ! spec=15N_...last, no=567, id=794, vol=6.165564e+06
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HG1) 4.543 2.580 2.580 weight 1.000 ! spec=15N_...last, no=572, id=799, vol=4.547250e+06
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HG2)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name  HB1) 3.377 1.426 1.426 weight 1.000 ! spec=15N_...last, no=610, id=826, vol=8.314707e+06
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name  HB2)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB2) 2.588 0.837 0.837 weight 1.000 ! spec=15N_...last, no=653, id=842, vol=1.446606e+07
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD22) 3.099 1.201 1.201 weight 1.000 ! spec=15N_...last, no=654, id=843, vol=1.532764e+07
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   52 and name HG22)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB2) 2.542 0.808 0.808 weight 1.000 ! spec=15N_...last, no=705, id=881, vol=2.514083e+07
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB1)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HG1) 3.825 1.829 1.829 weight 1.000 ! spec=15N_...last, no=715, id=888, vol=8.353026e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HG2)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HD12) 3.460 1.497 1.497 weight 1.000 ! spec=15N_...last, no=717, id=890, vol=1.402250e+07
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HD13)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG22)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB2) 2.337 0.683 0.683 weight 1.000 ! spec=15N_...last, no=724, id=895, vol=3.106967e+07
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB1)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HB1) 2.222 0.617 0.617 weight 1.000 ! spec=15N_...last, no=732, id=902, vol=3.698722e+07
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HB2)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HG1) 3.695 1.706 1.706 weight 1.000 ! spec=15N_...last, no=733, id=903, vol=6.723964e+06
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HG2)
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   78 and name   HA) 3.189 1.271 1.271 weight 1.000 ! spec=15N_...last, no=747, id=915, vol=6.487391e+06
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=15N_...last, no=758, id=921, vol=1.430564e+07
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   85 and name  HA1)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HB1) 2.820 0.994 0.994 weight 1.000 ! spec=15N_...last, no=761, id=923, vol=1.970466e+07
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HG2)
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HD2) 4.482 2.511 2.511 weight 1.000 ! spec=15N_...last, no=798, id=948, vol=5.079990e+06
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HD1)
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HB1) 2.302 0.662 0.662 weight 1.000 ! spec=15N_...last, no=801, id=949, vol=3.031014e+07
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HB2)
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name  HG2) 2.786 0.970 0.970 weight 1.000 ! spec=15N_...last, no=811, id=958, vol=1.559009e+07
    or (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name  HG1)
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HD1) 4.316 2.328 2.328 weight 1.000 ! spec=15N_...last, no=819, id=965, vol=6.391691e+06
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HD2)
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   90 and name  HB2) 2.581 0.833 0.833 weight 1.000 ! spec=15N_...last, no=821, id=967, vol=1.943371e+07
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   90 and name  HB1)
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HG1) 4.149 2.152 2.152 weight 1.000 ! spec=15N_...last, no=824, id=970, vol=7.594028e+06
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HG2)
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HB1) 2.374 0.705 0.705 weight 1.000 ! spec=15N_...last, no=831, id=975, vol=3.080755e+07
    or (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HB2)
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD12) 2.983 1.112 1.112 weight 1.000 ! spec=15N_...last, no=846, id=985, vol=2.522780e+07
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD11)
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD13)
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD22)
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD21)
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name HD23)
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB2) 2.078 0.540 0.540 weight 1.000 ! spec=15N_...last, no=863, id=999, vol=4.541981e+07
    or (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB1)
    or (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB3)
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB2)
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB1)
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB3)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name   HG) 2.341 0.685 0.685 weight 1.000 ! spec=15N_...last, no=875, id=1009, vol=1.569158e+07
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HB2)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name  HD1) 4.716 2.781 2.781 weight 1.000 ! spec=15N_...last, no=882, id=1015, vol=4.033024e+06
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name  HD2)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HB2) 3.503 1.534 1.534 weight 1.000 ! spec=15N_...last, no=883, id=1016, vol=5.694482e+06
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HB1)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name  HB2) 2.257 0.637 0.637 weight 1.000 ! spec=15N_...last, no=884, id=1017, vol=3.465844e+07
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name  HB1)
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  102 and name   HA) 3.209 1.287 1.287 weight 1.000 ! spec=15N_...last, no=934, id=1054, vol=7.202731e+06
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name   HA)
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name  HB2) 2.510 0.787 0.787 weight 1.000 ! spec=15N_...last, no=935, id=1055, vol=2.372778e+07
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  117 and name   HN) 3.631 1.648 1.648 weight 1.000 ! spec=15N_...last, no=941, id=1060, vol=5.781000e+06
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid  116 and name   HN)
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name  HG1) 4.219 2.225 2.225 weight 1.000 ! spec=15N_...last, no=965, id=1078, vol=6.182808e+06
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name  HG2)
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name   HA) 2.568 0.825 0.825 weight 1.000 ! spec=15N_...last, no=970, id=1081, vol=1.679733e+07
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  104 and name   HA)
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  112 and name  HA1) 2.412 0.727 0.727 weight 1.000 ! spec=15N_...last, no=1003, id=1101, vol=3.518207e+07
    or (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  112 and name  HA2)
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HD2) 4.897 2.998 2.998 weight 1.000 ! spec=15N_...last, no=1018, id=1116, vol=2.785683e+06
    or (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HD1)
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HB2) 2.905 1.055 1.055 weight 1.000 ! spec=15N_...last, no=1020, id=1117, vol=8.996107e+06
    or (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HG1)
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  114 and name  HB1) 3.951 1.951 1.951 weight 1.000 ! spec=15N_...last, no=1025, id=1119, vol=3.992665e+06
    or (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  114 and name  HG2)
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  116 and name  HG2) 2.798 0.979 0.979 weight 1.000 ! spec=15N_...last, no=1036, id=1124, vol=1.018057e+07
    or (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  116 and name  HG2) 3.548 1.573 1.573 weight 1.000 ! spec=15N_...last, no=1045, id=1130, vol=1.141871e+07
    or (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD12) 3.162 1.250 1.250 weight 1.000 ! spec=15N_...last, no=1100, id=1170, vol=1.486569e+07
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD11)
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD13)
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD22)
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name  HB1) 3.275 1.341 1.341 weight 1.000 ! spec=15N_...last, no=1127, id=1194, vol=1.982493e+07
    or (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD22)
    or (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD21)
    or (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD23)
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  127 and name  HB2) 3.329 1.385 1.385 weight 1.000 ! spec=15N_...last, no=1138, id=1204, vol=2.012906e+07
    or (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  128 and name  HB1)
assign (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   48 and name  HG1) 4.034 2.034 2.034 weight 1.000 ! spec=15N_...last, no=1187, id=1218, vol=7.460382e+06
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   48 and name  HG2)
assign (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   48 and name  HG2) 3.137 1.230 1.230 weight 1.000 ! spec=15N_...last, no=1188, id=1219, vol=4.030765e+06
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   48 and name  HG1)
assign (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  116 and name  HG2) 3.001 1.125 1.125 weight 1.000 ! spec=15N_...last, no=1209, id=1225, vol=5.133890e+06
    or (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  116 and name  HG2) 3.483 1.517 1.517 weight 1.000 ! spec=15N_...last, no=1237, id=1231, vol=1.291556e+07
    or (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  116 and name  HG1)
assign (segid "   A" and resid  105 and name HD21) (segid "   A" and resid  105 and name  HB2) 3.124 1.220 1.220 weight 1.000 ! spec=15N_...last, no=1244, id=1233, vol=6.059735e+06
    or (segid "   A" and resid  105 and name HD21) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid  105 and name HD22) (segid "   A" and resid  105 and name  HB2) 4.639 2.690 2.690 weight 1.000 ! spec=15N_...last, no=1245, id=1234, vol=3.537523e+06
    or (segid "   A" and resid  105 and name HD22) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name   HN) 2.032 0.516 0.516 weight 1.000 ! spec=15N_...last, no=1292, id=1245, vol=6.031343e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.319 0.672 0.672 weight 1.000 ! spec=15N_...last, no=1296, id=1247, vol=3.524859e+07
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 1.898 0.450 0.450 weight 1.000 ! spec=15N_...last, no=1298, id=1249, vol=7.218027e+07
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB3)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB3)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HA2) 3.286 1.349 1.349 weight 1.000 ! spec=15N_...last, no=1318, id=1253, vol=4.410274e+06
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA)
assign (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   48 and name  HB2) 3.578 1.600 1.600 weight 1.000 ! spec=15N_...last, no=1451, id=1283, vol=4.189581e+06
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   48 and name  HB1)
assign (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   48 and name  HB1) 4.163 2.166 2.166 weight 1.000 ! spec=15N_...last, no=1452, id=1284, vol=4.680952e+06
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name  HG2) 4.131 2.133 2.133 weight 1.000 ! spec=15N_...last, no=1483, id=1294, vol=3.962210e+06
    or (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name  HG1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD1) 4.314 2.326 2.326 weight 1.000 ! spec=15N_...last, no=1510, id=1302, vol=6.673314e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   50 and name  HG2) 3.314 1.373 1.373 weight 1.000 ! spec=15N_...last, no=1515, id=1303, vol=4.850655e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   50 and name  HG1)
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HB1) 3.854 1.856 1.856 weight 1.000 ! spec=15N_...last, no=1523, id=1306, vol=5.801954e+06
    or (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name  HG2)
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  127 and name  HB1) 3.498 1.529 1.529 weight 1.000 ! spec=15N_...last, no=1541, id=1312, vol=1.476955e+07
    or (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  118 and name  HB1)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name  HB1) 3.121 1.217 1.217 weight 1.000 ! spec=15N_...last, no=1562, id=1318, vol=5.283620e+06
    or (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   54 and name  HD2) 3.457 1.493 1.493 weight 1.000 ! spec=15N_...last, no=1565, id=1320, vol=4.041734e+06
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   54 and name  HD1)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name   HZ) 3.835 1.838 1.838 weight 1.000 ! spec=NOESY_D2O, no=200, id=81, vol=1.128733e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name   HZ)
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name   HA) 4.142 2.145 2.145 weight 1.000 ! spec=NOESY_D2O, no=3017, id=168, vol=1.169405e+06
    or (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   72 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=NOESY_D2O, no=3037, id=170, vol=1.989229e+06
    or (segid "   A" and resid  127 and name  HB1) (segid "   A" and resid  127 and name   HA)
assign (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD22) 3.450 1.488 1.488 weight 1.000 ! spec=NOESY_D2O, no=3215, id=194, vol=9.848388e+05
    or (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  103 and name  HZ2)
assign (segid "   A" and resid   89 and name   HZ) (segid "   A" and resid   21 and name HG11) 3.540 1.566 1.566 weight 1.000 ! spec=NOESY_D2O, no=3223, id=201, vol=3.345484e+05
    or (segid "   A" and resid   89 and name   HZ) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   50 and name  HG2) 3.084 1.189 1.189 weight 1.000 ! spec=NOESY_D2O, no=3265, id=213, vol=1.117356e+06
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   50 and name  HG1)
assign (segid "   A" and resid  129 and name  HG1) (segid "   A" and resid  127 and name  HB2) 3.862 1.864 1.864 weight 1.000 ! spec=NOESY_D2O, no=3293, id=225, vol=6.661601e+05
    or (segid "   A" and resid  129 and name  HG2) (segid "   A" and resid  127 and name  HB2)
assign (segid "   A" and resid   58 and name  HD2) (segid "   A" and resid   58 and name  HB1) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY_H2O, no=84, id=289, vol=1.579474e+06
    or (segid "   A" and resid   58 and name  HD2) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.246 0.630 0.630 weight 1.000 ! spec=NOESY_H2O, no=314, id=398, vol=9.919600e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG21) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY_H2O, no=319, id=399, vol=2.313034e+06
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB2)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   50 and name  HB1) 2.985 1.114 1.114 weight 1.000 ! spec=NOESY_H2O, no=502, id=441, vol=1.552546e+06
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   50 and name  HB2)
assign (segid "   A" and resid  130 and name   HA) (segid "   A" and resid  130 and name  HB2) 1.925 0.463 0.463 weight 1.000 ! spec=13C_...spin, no=1, id=1342, vol=2.716421e+08
    or (segid "   A" and resid  130 and name   HA) (segid "   A" and resid  130 and name  HB1)
    or (segid "   A" and resid  130 and name   HA) (segid "   A" and resid  130 and name  HB3)
assign (segid "   A" and resid  129 and name   HA) (segid "   A" and resid  129 and name  HB2) 4.642 2.694 2.694 weight 1.000 ! spec=13C_...spin, no=15, id=1344, vol=2.423648e+06
assign (segid "   A" and resid  128 and name   HA) (segid "   A" and resid   92 and name  HE1) 4.671 2.727 2.727 weight 1.000 ! spec=13C_...spin, no=20, id=1346, vol=5.956339e+06
    or (segid "   A" and resid  128 and name   HA) (segid "   A" and resid   92 and name  HE2)
assign (segid "   A" and resid  128 and name   HA) (segid "   A" and resid  128 and name  HB1) 2.569 0.825 0.825 weight 1.000 ! spec=13C_...spin, no=21, id=1347, vol=7.062942e+07
assign (segid "   A" and resid  128 and name  HB2) (segid "   A" and resid  128 and name  HB1) 2.606 0.849 0.849 weight 1.000 ! spec=13C_...spin, no=26, id=1351, vol=2.481892e+07
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   89 and name  HD1) 2.948 1.086 1.086 weight 1.000 ! spec=13C_...spin, no=32, id=1357, vol=1.005958e+07
    or (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   89 and name  HD2)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   89 and name  HD1)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   89 and name  HD2)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   77 and name   HA) 4.912 3.016 3.016 weight 1.000 ! spec=13C_...spin, no=33, id=1358, vol=5.236998e+06
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   80 and name   HG) 4.610 2.656 2.656 weight 1.000 ! spec=13C_...spin, no=35, id=1360, vol=5.350409e+06
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   80 and name   HG)
assign (segid "   A" and resid  127 and name  HB1) (segid "   A" and resid  127 and name  HB2) 2.254 0.635 0.635 weight 1.000 ! spec=13C_...spin, no=39, id=1362, vol=5.304295e+07
assign (segid "   A" and resid  127 and name   HA) (segid "   A" and resid  127 and name  HB2) 3.526 1.554 1.554 weight 1.000 ! spec=13C_...spin, no=41, id=1364, vol=2.634495e+07
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name   HA) 2.737 0.936 0.936 weight 1.000 ! spec=13C_...spin, no=45, id=1368, vol=7.880372e+07
assign (segid "   A" and resid  126 and name  HB1) (segid "   A" and resid  126 and name HD12) 3.605 1.625 1.625 weight 1.000 ! spec=13C_...spin, no=49, id=1370, vol=1.954420e+07
    or (segid "   A" and resid  126 and name  HB1) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  126 and name  HB1) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  126 and name   HA) (segid "   A" and resid  126 and name  HB1) 2.714 0.921 0.921 weight 1.000 ! spec=13C_...spin, no=50, id=1371, vol=4.540916e+07
assign (segid "   A" and resid  126 and name  HB1) (segid "   A" and resid  127 and name   HA) 5.010 3.137 3.137 weight 1.000 ! spec=13C_...spin, no=51, id=1372, vol=2.376704e+06
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  127 and name   HA) 5.390 3.631 3.631 weight 1.000 ! spec=13C_...spin, no=53, id=1373, vol=2.696036e+06
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name   HG) 3.918 1.919 1.919 weight 1.000 ! spec=13C_...spin, no=55, id=1375, vol=7.419090e+06
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name  HB1) 2.256 0.636 0.636 weight 1.000 ! spec=13C_...spin, no=56, id=1376, vol=3.274978e+07
assign (segid "   A" and resid  126 and name   HA) (segid "   A" and resid  126 and name   HG) 2.516 0.791 0.791 weight 1.000 ! spec=13C_...spin, no=57, id=1377, vol=5.761063e+07
assign (segid "   A" and resid  126 and name   HG) (segid "   A" and resid  103 and name  HZ2) 3.089 1.193 1.193 weight 1.000 ! spec=13C_...spin, no=61, id=1378, vol=1.992599e+07
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid   70 and name   HA) 4.040 2.041 2.041 weight 1.000 ! spec=13C_...spin, no=74, id=1379, vol=6.651126e+06
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid   70 and name   HA)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid   70 and name   HA)
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  103 and name  HZ2) 4.649 2.701 2.701 weight 1.000 ! spec=13C_...spin, no=76, id=1380, vol=3.685933e+06
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  103 and name  HZ2)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  103 and name  HZ2)
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid   72 and name   HA) 5.308 3.522 3.522 weight 1.000 ! spec=13C_...spin, no=79, id=1381, vol=2.217394e+06
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid   72 and name   HA)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid   72 and name   HA)
assign (segid "   A" and resid  126 and name   HA) (segid "   A" and resid  126 and name HD12) 4.626 2.676 2.676 weight 1.000 ! spec=13C_...spin, no=80, id=1382, vol=3.021535e+06
    or (segid "   A" and resid  126 and name   HA) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  126 and name   HA) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  123 and name HD22) 3.615 1.634 1.634 weight 1.000 ! spec=13C_...spin, no=81, id=1383, vol=1.571476e+07
    or (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name HD12) 2.123 0.564 0.564 weight 1.000 ! spec=13C_...spin, no=82, id=1384, vol=1.095615e+08
    or (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  123 and name  HB1) 2.155 0.580 0.580 weight 1.000 ! spec=13C_...spin, no=84, id=1385, vol=8.069127e+07
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  123 and name  HB1)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  123 and name  HB1)
assign (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  126 and name HD22) 2.668 0.890 0.890 weight 1.000 ! spec=13C_...spin, no=85, id=1386, vol=4.544642e+07
    or (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  126 and name HD21)
    or (segid "   A" and resid  126 and name HD12) (segid "   A" and resid  126 and name HD23)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  126 and name HD22)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  126 and name HD21)
    or (segid "   A" and resid  126 and name HD11) (segid "   A" and resid  126 and name HD23)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  126 and name HD22)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  126 and name HD21)
    or (segid "   A" and resid  126 and name HD13) (segid "   A" and resid  126 and name HD23)
assign (segid "   A" and resid  125 and name  HA1) (segid "   A" and resid   73 and name  HB2) 6.386 5.098 5.098 weight 1.000 ! spec=13C_...spin, no=95, id=1387, vol=6.337710e+06
assign (segid "   A" and resid  125 and name  HA1) (segid "   A" and resid   72 and name   HA) 5.305 3.518 3.518 weight 1.000 ! spec=13C_...spin, no=96, id=1388, vol=7.274500e+06
assign (segid "   A" and resid  125 and name  HA2) (segid "   A" and resid   73 and name  HB2) 4.105 2.106 2.106 weight 1.000 ! spec=13C_...spin, no=97, id=1389, vol=2.962554e+07
assign (segid "   A" and resid  125 and name  HA2) (segid "   A" and resid   73 and name  HB1) 5.667 4.014 4.014 weight 1.000 ! spec=13C_...spin, no=98, id=1390, vol=4.001151e+06
assign (segid "   A" and resid  125 and name  HA2) (segid "   A" and resid  125 and name  HA1) 2.107 0.555 0.555 weight 1.000 ! spec=13C_...spin, no=102, id=1392, vol=9.034598e+07
assign (segid "   A" and resid  125 and name  HA2) (segid "   A" and resid   72 and name   HA) 5.077 3.222 3.222 weight 1.000 ! spec=13C_...spin, no=103, id=1393, vol=2.706298e+06
assign (segid "   A" and resid  124 and name  HA2) (segid "   A" and resid  124 and name  HA1) 1.594 0.317 0.317 weight 1.000 ! spec=13C_...spin, no=104, id=1394, vol=3.983414e+08
assign (segid "   A" and resid  124 and name  HA1) (segid "   A" and resid   71 and name   HB) 6.765 5.720 5.720 weight 1.000 ! spec=13C_...spin, no=108, id=1396, vol=2.477985e+06
assign (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  121 and name HG22) 4.372 2.389 2.389 weight 1.000 ! spec=13C_...spin, no=110, id=1397, vol=4.426006e+06
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name  HB1) 2.913 1.061 1.061 weight 1.000 ! spec=13C_...spin, no=111, id=1398, vol=1.994466e+07
assign (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name   HG) 3.321 1.379 1.379 weight 1.000 ! spec=13C_...spin, no=112, id=1399, vol=1.654983e+07
assign (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD22) 2.703 0.913 0.913 weight 1.000 ! spec=13C_...spin, no=113, id=1400, vol=3.063465e+07
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name   HA) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name  HB1) 1.939 0.470 0.470 weight 1.000 ! spec=13C_...spin, no=117, id=1402, vol=8.932083e+07
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid   70 and name HD22) 2.401 0.721 0.721 weight 1.000 ! spec=13C_...spin, no=120, id=1405, vol=3.863422e+07
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name  HB2) 1.793 0.402 4.207 weight 1.000 ! spec=13C_...spin, no=128, id=1409, vol=2.479801e+08
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  123 and name HD22) 1.984 0.492 0.492 weight 1.000 ! spec=13C_...spin, no=134, id=1413, vol=6.312314e+07
    or (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  123 and name  HB1) 2.188 0.598 0.598 weight 1.000 ! spec=13C_...spin, no=135, id=1414, vol=1.144828e+08
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  123 and name  HB1)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  123 and name  HB1)
assign (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD12) 1.978 0.489 0.489 weight 1.000 ! spec=13C_...spin, no=136, id=1415, vol=7.610535e+07
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD12) 2.154 0.580 0.580 weight 1.000 ! spec=13C_...spin, no=137, id=1416, vol=1.210639e+08
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  121 and name HG22) 2.180 0.594 3.820 weight 1.000 ! spec=13C_...spin, no=138, id=1417, vol=5.616691e+07
    or (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  121 and name HG23)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  121 and name HG22)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  121 and name HG23)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  121 and name HG22)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  103 and name  HB2) 3.968 1.968 1.968 weight 1.000 ! spec=13C_...spin, no=140, id=1418, vol=8.398480e+06
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid   70 and name   HA) 4.518 2.552 2.552 weight 1.000 ! spec=13C_...spin, no=141, id=1419, vol=3.842382e+06
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid   70 and name   HA)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid   70 and name   HA)
assign (segid "   A" and resid  123 and name HD12) (segid "   A" and resid  103 and name  HZ2) 3.547 1.573 1.573 weight 1.000 ! spec=13C_...spin, no=142, id=1420, vol=7.684864e+06
    or (segid "   A" and resid  123 and name HD11) (segid "   A" and resid  103 and name  HZ2)
    or (segid "   A" and resid  123 and name HD13) (segid "   A" and resid  103 and name  HZ2)
assign (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  103 and name  HD1) 3.985 1.985 1.985 weight 1.000 ! spec=13C_...spin, no=145, id=1421, vol=5.033725e+06
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  103 and name  HD1)
assign (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  107 and name  HG1) 2.565 0.823 0.823 weight 1.000 ! spec=13C_...spin, no=148, id=1423, vol=2.606656e+07
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  107 and name  HG1)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  107 and name  HG1)
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD22) 3.402 1.447 1.447 weight 1.000 ! spec=13C_...spin, no=151, id=1424, vol=2.549872e+07
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid  123 and name HD22) 2.324 0.675 0.675 weight 1.000 ! spec=13C_...spin, no=152, id=1425, vol=6.816460e+07
    or (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD22) 1.393 0.243 4.607 weight 1.000 ! spec=13C_...spin, no=153, id=1426, vol=6.083654e+08
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  121 and name HG22) 1.706 0.364 0.364 weight 1.000 ! spec=13C_...spin, no=154, id=1427, vol=8.214147e+07
    or (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  121 and name HG23)
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  121 and name HG22)
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  121 and name HG23)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  121 and name HG22)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name  HB1) 1.650 0.340 0.340 weight 1.000 ! spec=13C_...spin, no=161, id=1431, vol=3.097917e+08
assign (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name   HA) 3.430 1.470 1.470 weight 1.000 ! spec=13C_...spin, no=162, id=1432, vol=2.251687e+07
assign (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name HD12) 2.916 1.063 1.063 weight 1.000 ! spec=13C_...spin, no=165, id=1435, vol=3.590786e+07
    or (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name HD11)
    or (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name HD13)
assign (segid "   A" and resid  122 and name   HG) (segid "   A" and resid  120 and name HD22) 2.573 0.827 0.827 weight 1.000 ! spec=13C_...spin, no=166, id=1436, vol=5.546967e+07
    or (segid "   A" and resid  122 and name   HG) (segid "   A" and resid  120 and name HD21)
    or (segid "   A" and resid  122 and name   HG) (segid "   A" and resid  120 and name HD23)
assign (segid "   A" and resid  122 and name  HB2) (segid "   A" and resid  122 and name   HG) 2.292 0.657 0.657 weight 1.000 ! spec=13C_...spin, no=167, id=1437, vol=6.605232e+07
assign (segid "   A" and resid  122 and name   HG) (segid "   A" and resid  122 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=13C_...spin, no=168, id=1438, vol=1.158562e+07
assign (segid "   A" and resid  122 and name HD22) (segid "   A" and resid  122 and name   HG) 1.607 0.323 4.393 weight 1.000 ! spec=13C_...spin, no=171, id=1439, vol=3.519547e+08
    or (segid "   A" and resid  122 and name HD21) (segid "   A" and resid  122 and name   HG)
    or (segid "   A" and resid  122 and name HD23) (segid "   A" and resid  122 and name   HG)
assign (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG12) 3.098 1.200 1.200 weight 1.000 ! spec=13C_...spin, no=175, id=1441, vol=3.740455e+07
    or (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG22) 2.850 1.015 1.015 weight 1.000 ! spec=13C_...spin, no=176, id=1442, vol=2.814596e+07
    or (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  121 and name   HA) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG12) 1.880 0.442 0.442 weight 1.000 ! spec=13C_...spin, no=179, id=1443, vol=1.567039e+08
    or (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG22) 1.796 0.403 0.403 weight 1.000 ! spec=13C_...spin, no=180, id=1444, vol=2.117136e+08
    or (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  121 and name   HB) (segid "   A" and resid  121 and name   HA) 3.983 1.983 1.983 weight 1.000 ! spec=13C_...spin, no=181, id=1445, vol=3.284965e+06
assign (segid "   A" and resid  121 and name HG12) (segid "   A" and resid  118 and name  HB1) 4.558 2.596 2.596 weight 1.000 ! spec=13C_...spin, no=184, id=1447, vol=8.079065e+06
    or (segid "   A" and resid  121 and name HG11) (segid "   A" and resid  118 and name  HB1)
    or (segid "   A" and resid  121 and name HG13) (segid "   A" and resid  118 and name  HB1)
assign (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name  HB2) 3.076 1.183 1.183 weight 1.000 ! spec=13C_...spin, no=189, id=1449, vol=1.590914e+07
assign (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name  HB1) 3.411 1.454 1.454 weight 1.000 ! spec=13C_...spin, no=190, id=1450, vol=2.410340e+07
assign (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name   HG) 3.254 1.323 1.323 weight 1.000 ! spec=13C_...spin, no=191, id=1451, vol=1.588750e+07
assign (segid "   A" and resid  120 and name  HB1) (segid "   A" and resid  120 and name  HB2) 1.435 0.258 0.258 weight 1.000 ! spec=13C_...spin, no=193, id=1453, vol=7.259717e+08
assign (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name  HB2) 2.371 0.703 0.703 weight 1.000 ! spec=13C_...spin, no=205, id=1458, vol=1.496885e+08
assign (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name HD12) 2.631 0.865 0.865 weight 1.000 ! spec=13C_...spin, no=208, id=1460, vol=3.633512e+07
    or (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name HD11)
    or (segid "   A" and resid  120 and name   HA) (segid "   A" and resid  120 and name HD13)
assign (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD12) 1.492 0.278 4.508 weight 1.000 ! spec=13C_...spin, no=210, id=1461, vol=4.342483e+08
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD11)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD13)
assign (segid "   A" and resid  120 and name HD22) (segid "   A" and resid  120 and name   HA) 3.596 1.617 1.617 weight 1.000 ! spec=13C_...spin, no=212, id=1462, vol=2.946112e+07
    or (segid "   A" and resid  120 and name HD21) (segid "   A" and resid  120 and name   HA)
    or (segid "   A" and resid  120 and name HD23) (segid "   A" and resid  120 and name   HA)
assign (segid "   A" and resid  119 and name  HB2) (segid "   A" and resid  119 and name   HA) 2.555 0.816 0.816 weight 1.000 ! spec=13C_...spin, no=216, id=1464, vol=4.592069e+07
    or (segid "   A" and resid  119 and name  HB1) (segid "   A" and resid  119 and name   HA)
    or (segid "   A" and resid  119 and name  HB3) (segid "   A" and resid  119 and name   HA)
assign (segid "   A" and resid  119 and name   HA) (segid "   A" and resid   64 and name  HB2) 4.795 2.874 2.874 weight 1.000 ! spec=13C_...spin, no=217, id=1465, vol=9.175187e+06
assign (segid "   A" and resid  119 and name  HB2) (segid "   A" and resid   64 and name  HB2) 7.120 6.337 6.337 weight 1.000 ! spec=13C_...spin, no=219, id=1466, vol=1.012728e+06
    or (segid "   A" and resid  119 and name  HB1) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid  119 and name  HB3) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid  119 and name  HB2) (segid "   A" and resid   64 and name  HE1) 4.061 2.061 2.061 weight 1.000 ! spec=13C_...spin, no=220, id=1467, vol=8.624223e+06
    or (segid "   A" and resid  119 and name  HB1) (segid "   A" and resid   64 and name  HE1)
    or (segid "   A" and resid  119 and name  HB3) (segid "   A" and resid   64 and name  HE1)
assign (segid "   A" and resid  118 and name   HA) (segid "   A" and resid  118 and name  HB2) 3.213 1.290 1.290 weight 1.000 ! spec=13C_...spin, no=223, id=1469, vol=4.382004e+07
assign (segid "   A" and resid  118 and name  HB1) (segid "   A" and resid  118 and name  HB2) 2.251 0.633 0.633 weight 1.000 ! spec=13C_...spin, no=227, id=1470, vol=5.627085e+07
assign (segid "   A" and resid  118 and name  HB2) (segid "   A" and resid  121 and name HG12) 4.079 2.080 2.080 weight 1.000 ! spec=13C_...spin, no=229, id=1472, vol=9.877320e+06
    or (segid "   A" and resid  118 and name  HB2) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  118 and name  HB2) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  118 and name   HA) (segid "   A" and resid  118 and name  HB1) 2.887 1.042 1.042 weight 1.000 ! spec=13C_...spin, no=233, id=1474, vol=3.768282e+07
assign (segid "   A" and resid  117 and name   HA) (segid "   A" and resid  117 and name  HB2) 2.255 0.636 0.636 weight 1.000 ! spec=13C_...spin, no=235, id=1476, vol=1.065266e+08
    or (segid "   A" and resid  117 and name   HA) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid  117 and name   HA) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid  117 and name   HA) (segid "   A" and resid  116 and name  HB1) 5.593 3.910 3.910 weight 1.000 ! spec=13C_...spin, no=236, id=1477, vol=5.344552e+06
assign (segid "   A" and resid  115 and name   HB) (segid "   A" and resid  115 and name HG21) 2.346 0.688 0.688 weight 1.000 ! spec=13C_...spin, no=255, id=1482, vol=4.641344e+07
    or (segid "   A" and resid  115 and name   HB) (segid "   A" and resid  115 and name HG22)
    or (segid "   A" and resid  115 and name   HB) (segid "   A" and resid  115 and name HG23)
assign (segid "   A" and resid  115 and name   HB) (segid "   A" and resid   65 and name   HA) 4.534 2.570 2.570 weight 1.000 ! spec=13C_...spin, no=256, id=1483, vol=4.636348e+06
assign (segid "   A" and resid  115 and name HG21) (segid "   A" and resid   65 and name   HA) 3.322 1.380 1.380 weight 1.000 ! spec=13C_...spin, no=261, id=1485, vol=1.460497e+07
    or (segid "   A" and resid  115 and name HG22) (segid "   A" and resid   65 and name   HA)
    or (segid "   A" and resid  115 and name HG23) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid  114 and name  HB2) (segid "   A" and resid  114 and name  HB1) 2.378 0.707 0.707 weight 1.000 ! spec=13C_...spin, no=269, id=1487, vol=2.648876e+07
assign (segid "   A" and resid  113 and name   HA) (segid "   A" and resid  113 and name  HB2) 2.743 0.941 0.941 weight 1.000 ! spec=13C_...spin, no=292, id=1490, vol=5.570584e+07
assign (segid "   A" and resid  113 and name   HA) (segid "   A" and resid  113 and name  HB1) 3.012 1.134 1.134 weight 1.000 ! spec=13C_...spin, no=293, id=1491, vol=3.579928e+07
assign (segid "   A" and resid  113 and name  HB1) (segid "   A" and resid  113 and name  HB2) 1.960 0.480 0.480 weight 1.000 ! spec=13C_...spin, no=298, id=1493, vol=1.018483e+08
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  111 and name  HB1) 2.993 1.120 1.120 weight 1.000 ! spec=13C_...spin, no=303, id=1496, vol=3.009699e+07
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   29 and name HD22) 3.870 1.872 1.872 weight 1.000 ! spec=13C_...spin, no=308, id=1498, vol=1.725359e+07
    or (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   29 and name HD21)
    or (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid   29 and name HD23)
assign (segid "   A" and resid  111 and name  HB2) (segid "   A" and resid  111 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=13C_...spin, no=310, id=1500, vol=9.392654e+07
assign (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD22) 2.355 0.693 0.693 weight 1.000 ! spec=13C_...spin, no=329, id=1512, vol=8.081188e+07
    or (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  104 and name  HG2) 4.132 2.134 2.134 weight 1.000 ! spec=13C_...spin, no=333, id=1513, vol=6.021568e+06
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  110 and name  HB1) 4.127 2.129 2.129 weight 1.000 ! spec=13C_...spin, no=334, id=1514, vol=8.272976e+06
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  110 and name  HB2) 2.904 1.054 1.054 weight 1.000 ! spec=13C_...spin, no=335, id=1515, vol=3.323625e+07
assign (segid "   A" and resid  110 and name   HA) (segid "   A" and resid  104 and name  HG1) 5.665 4.011 4.011 weight 1.000 ! spec=13C_...spin, no=336, id=1516, vol=3.812040e+06
assign (segid "   A" and resid  110 and name  HB2) (segid "   A" and resid  110 and name  HB1) 2.283 0.652 0.652 weight 1.000 ! spec=13C_...spin, no=338, id=1518, vol=5.474830e+07
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  116 and name   HA) 3.465 1.501 1.501 weight 1.000 ! spec=13C_...spin, no=346, id=1521, vol=1.613915e+07
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG12) 2.757 0.950 0.950 weight 1.000 ! spec=13C_...spin, no=349, id=1522, vol=2.811296e+07
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  104 and name  HG1) 5.433 3.690 3.690 weight 1.000 ! spec=13C_...spin, no=352, id=1525, vol=3.772533e+06
assign (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG22) 2.464 0.759 0.759 weight 1.000 ! spec=13C_...spin, no=358, id=1528, vol=3.271392e+07
    or (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  116 and name  HB1) 2.953 1.090 1.090 weight 1.000 ! spec=13C_...spin, no=359, id=1529, vol=2.756604e+07
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  116 and name  HB1)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  116 and name  HB1)
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG22) 2.639 0.871 0.871 weight 1.000 ! spec=13C_...spin, no=360, id=1530, vol=3.250219e+07
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  109 and name HG12) (segid "   A" and resid  116 and name   HA) 4.944 3.056 3.056 weight 1.000 ! spec=13C_...spin, no=363, id=1532, vol=3.327744e+06
    or (segid "   A" and resid  109 and name HG11) (segid "   A" and resid  116 and name   HA)
    or (segid "   A" and resid  109 and name HG13) (segid "   A" and resid  116 and name   HA)
assign (segid "   A" and resid  109 and name HG12) (segid "   A" and resid  116 and name  HB1) 3.376 1.425 1.425 weight 1.000 ! spec=13C_...spin, no=365, id=1533, vol=6.905024e+06
    or (segid "   A" and resid  109 and name HG11) (segid "   A" and resid  116 and name  HB1)
    or (segid "   A" and resid  109 and name HG13) (segid "   A" and resid  116 and name  HB1)
assign (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG12) 2.064 0.533 0.533 weight 1.000 ! spec=13C_...spin, no=366, id=1534, vol=8.921716e+07
    or (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  109 and name HG12) (segid "   A" and resid  109 and name HG22) 1.890 0.446 0.446 weight 1.000 ! spec=13C_...spin, no=368, id=1535, vol=9.583789e+07
    or (segid "   A" and resid  109 and name HG12) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name HG12) (segid "   A" and resid  109 and name HG23)
    or (segid "   A" and resid  109 and name HG11) (segid "   A" and resid  109 and name HG22)
    or (segid "   A" and resid  109 and name HG11) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name HG11) (segid "   A" and resid  109 and name HG23)
    or (segid "   A" and resid  109 and name HG13) (segid "   A" and resid  109 and name HG22)
    or (segid "   A" and resid  109 and name HG13) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name HG13) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  116 and name   HA) 4.880 2.977 2.977 weight 1.000 ! spec=13C_...spin, no=369, id=1536, vol=4.366620e+06
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  116 and name   HA)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  116 and name   HA)
assign (segid "   A" and resid  108 and name  HA2) (segid "   A" and resid  108 and name  HA1) 2.064 0.532 0.532 weight 1.000 ! spec=13C_...spin, no=370, id=1537, vol=1.280299e+08
assign (segid "   A" and resid  108 and name  HA2) (segid "   A" and resid  117 and name  HB2) 4.370 2.387 2.387 weight 1.000 ! spec=13C_...spin, no=372, id=1539, vol=5.899498e+06
    or (segid "   A" and resid  108 and name  HA2) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid  108 and name  HA2) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid  108 and name  HA1) (segid "   A" and resid  117 and name  HB2) 3.733 1.742 1.742 weight 1.000 ! spec=13C_...spin, no=373, id=1540, vol=4.658314e+06
    or (segid "   A" and resid  108 and name  HA1) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid  108 and name  HA1) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HD1) 4.357 2.372 2.372 weight 1.000 ! spec=13C_...spin, no=374, id=1541, vol=2.605133e+07
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HD2) 2.652 0.879 0.879 weight 1.000 ! spec=13C_...spin, no=375, id=1542, vol=3.171204e+07
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HB2) 2.574 0.828 0.828 weight 1.000 ! spec=13C_...spin, no=376, id=1543, vol=1.306830e+08
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name  HB1) 3.006 1.130 1.130 weight 1.000 ! spec=13C_...spin, no=377, id=1544, vol=1.800294e+07
assign (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  107 and name  HD1) 1.452 0.263 0.263 weight 1.000 ! spec=13C_...spin, no=383, id=1548, vol=4.957135e+08
assign (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  107 and name  HB2) 5.876 4.316 4.316 weight 1.000 ! spec=13C_...spin, no=385, id=1550, vol=2.075842e+06
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HB2) 5.803 4.209 4.209 weight 1.000 ! spec=13C_...spin, no=386, id=1551, vol=4.166504e+06
assign (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  121 and name HG22) 5.141 3.304 3.304 weight 1.000 ! spec=13C_...spin, no=391, id=1553, vol=4.411004e+06
    or (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  107 and name  HD1) (segid "   A" and resid  107 and name  HB1) 5.348 3.576 3.576 weight 1.000 ! spec=13C_...spin, no=394, id=1555, vol=3.366874e+06
assign (segid "   A" and resid  107 and name  HD2) (segid "   A" and resid  107 and name  HB1) 3.434 1.474 1.474 weight 1.000 ! spec=13C_...spin, no=397, id=1558, vol=1.955732e+07
assign (segid "   A" and resid  123 and name HD22) (segid "   A" and resid  107 and name  HD1) 3.608 1.627 1.627 weight 1.000 ! spec=13C_...spin, no=398, id=1559, vol=4.485804e+06
    or (segid "   A" and resid  123 and name HD21) (segid "   A" and resid  107 and name  HD1)
    or (segid "   A" and resid  123 and name HD23) (segid "   A" and resid  107 and name  HD1)
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB2) 2.578 0.831 0.831 weight 1.000 ! spec=13C_...spin, no=402, id=1561, vol=4.910759e+07
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB1)
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB3)
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=13C_...spin, no=404, id=1562, vol=2.704143e+07
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name   HA)
    or (segid "   A" and resid   53 and name  HB3) (segid "   A" and resid   53 and name   HA)
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  103 and name  HD1) 3.982 1.982 1.982 weight 1.000 ! spec=13C_...spin, no=405, id=1563, vol=7.725800e+06
    or (segid "   A" and resid  106 and name  HB1) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid  106 and name  HB3) (segid "   A" and resid  103 and name  HD1)
assign (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  104 and name  HB1) 2.329 0.678 0.678 weight 1.000 ! spec=13C_...spin, no=414, id=1568, vol=1.085760e+08
assign (segid "   A" and resid  109 and name   HB) (segid "   A" and resid  104 and name   HA) 2.958 1.094 1.094 weight 1.000 ! spec=13C_...spin, no=415, id=1569, vol=2.448431e+07
assign (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG22) 5.548 3.847 3.847 weight 1.000 ! spec=13C_...spin, no=416, id=1570, vol=2.575946e+06
    or (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  104 and name  HG2) 4.506 2.538 2.538 weight 1.000 ! spec=13C_...spin, no=417, id=1571, vol=1.945938e+06
assign (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG12) 4.736 2.803 2.803 weight 1.000 ! spec=13C_...spin, no=418, id=1572, vol=4.819274e+06
    or (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  104 and name  HB2) (segid "   A" and resid  104 and name  HB1) 1.520 0.289 0.289 weight 1.000 ! spec=13C_...spin, no=420, id=1574, vol=5.175199e+08
assign (segid "   A" and resid  104 and name  HB2) (segid "   A" and resid  101 and name   HA) 3.099 1.200 1.200 weight 1.000 ! spec=13C_...spin, no=423, id=1576, vol=2.026416e+07
assign (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  104 and name  HG2) 2.261 0.639 0.639 weight 1.000 ! spec=13C_...spin, no=427, id=1579, vol=4.661164e+07
assign (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  104 and name   HA) 4.780 2.857 2.857 weight 1.000 ! spec=13C_...spin, no=428, id=1580, vol=5.001904e+06
assign (segid "   A" and resid  104 and name  HG1) (segid "   A" and resid  104 and name  HB2) 4.108 2.109 2.109 weight 1.000 ! spec=13C_...spin, no=431, id=1583, vol=2.932805e+06
assign (segid "   A" and resid  104 and name  HG2) (segid "   A" and resid  104 and name  HB2) 3.856 1.859 1.859 weight 1.000 ! spec=13C_...spin, no=432, id=1584, vol=1.652668e+07
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB2) 4.215 2.220 2.220 weight 1.000 ! spec=13C_...spin, no=437, id=1586, vol=6.471856e+06
assign (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid  103 and name  HB1) 2.237 0.625 0.625 weight 1.000 ! spec=13C_...spin, no=443, id=1589, vol=5.635472e+07
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  102 and name  HB2) 4.716 2.780 2.780 weight 1.000 ! spec=13C_...spin, no=452, id=1597, vol=2.714403e+06
    or (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  102 and name  HB3)
assign (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  101 and name  HB2) 2.002 0.501 0.501 weight 1.000 ! spec=13C_...spin, no=484, id=1610, vol=1.868973e+08
    or (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  101 and name  HB1)
    or (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  101 and name  HB3)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  102 and name   HA) 2.737 0.936 3.263 weight 1.000 ! spec=13C_...spin, no=486, id=1611, vol=6.226015e+07
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  102 and name   HA)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  102 and name   HA)
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid   99 and name  HB1) 2.930 1.073 1.073 weight 1.000 ! spec=13C_...spin, no=490, id=1613, vol=4.234242e+07
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name   HG) 3.220 1.296 1.296 weight 1.000 ! spec=13C_...spin, no=491, id=1614, vol=1.583403e+07
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD12) 2.879 1.036 1.036 weight 1.000 ! spec=13C_...spin, no=492, id=1615, vol=2.538064e+07
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD11)
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD13)
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  103 and name  HZ3) 6.034 4.551 4.551 weight 1.000 ! spec=13C_...spin, no=494, id=1616, vol=1.241269e+06
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  103 and name  HE3) 2.932 1.075 1.075 weight 1.000 ! spec=13C_...spin, no=495, id=1617, vol=2.684898e+07
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD22) 1.505 0.283 4.495 weight 1.000 ! spec=13C_...spin, no=537, id=1622, vol=4.679452e+08
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name HD23)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD22)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name HD23)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD22)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name HD23)
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD22) 3.566 1.589 1.589 weight 1.000 ! spec=13C_...spin, no=541, id=1623, vol=1.766933e+07
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD21)
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid  100 and name HD23)
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid   99 and name   HA) 2.266 0.642 0.642 weight 1.000 ! spec=13C_...spin, no=545, id=1624, vol=7.249742e+07
    or (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid   99 and name   HA)
    or (segid "   A" and resid  102 and name  HB3) (segid "   A" and resid   99 and name   HA)
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name  HB1) 2.655 0.881 0.881 weight 1.000 ! spec=13C_...spin, no=546, id=1625, vol=6.006282e+07
assign (segid "   A" and resid   99 and name  HB1) (segid "   A" and resid   99 and name  HB2) 1.426 0.254 0.254 weight 1.000 ! spec=13C_...spin, no=548, id=1627, vol=5.716436e+08
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid   99 and name   HA) 2.960 1.096 1.096 weight 1.000 ! spec=13C_...spin, no=552, id=1628, vol=3.480466e+07
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD22) 4.054 2.054 2.054 weight 1.000 ! spec=13C_...spin, no=571, id=1634, vol=3.708244e+06
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   97 and name  HB1) (segid "   A" and resid   28 and name HD22) 3.521 1.550 1.550 weight 1.000 ! spec=13C_...spin, no=575, id=1636, vol=1.136010e+07
    or (segid "   A" and resid   97 and name  HB1) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   97 and name  HB1) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name HD12) 5.089 3.237 3.237 weight 1.000 ! spec=13C_...spin, no=585, id=1639, vol=4.100123e+06
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name HD11)
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name HD13)
assign (segid "   A" and resid   96 and name  HB2) (segid "   A" and resid   96 and name HD22) 3.423 1.465 1.465 weight 1.000 ! spec=13C_...spin, no=591, id=1643, vol=2.446368e+07
    or (segid "   A" and resid   96 and name  HB2) (segid "   A" and resid   96 and name HD21)
    or (segid "   A" and resid   96 and name  HB2) (segid "   A" and resid   96 and name HD23)
assign (segid "   A" and resid   96 and name  HB1) (segid "   A" and resid   93 and name   HA) 3.895 1.896 1.896 weight 1.000 ! spec=13C_...spin, no=594, id=1644, vol=4.116847e+07
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name  HB2) 4.963 3.079 3.079 weight 1.000 ! spec=13C_...spin, no=595, id=1645, vol=2.145464e+06
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name  HB1) 2.612 0.853 0.853 weight 1.000 ! spec=13C_...spin, no=597, id=1646, vol=5.182643e+07
assign (segid "   A" and resid   96 and name   HG) (segid "   A" and resid   96 and name  HB1) 2.724 0.927 0.927 weight 1.000 ! spec=13C_...spin, no=600, id=1647, vol=5.562637e+07
assign (segid "   A" and resid   96 and name   HG) (segid "   A" and resid   93 and name   HA) 2.590 0.839 0.839 weight 1.000 ! spec=13C_...spin, no=601, id=1648, vol=2.198170e+07
assign (segid "   A" and resid   96 and name HD22) (segid "   A" and resid   96 and name   HA) 2.515 0.791 0.791 weight 1.000 ! spec=13C_...spin, no=604, id=1649, vol=5.694457e+07
    or (segid "   A" and resid   96 and name HD21) (segid "   A" and resid   96 and name   HA)
    or (segid "   A" and resid   96 and name HD23) (segid "   A" and resid   96 and name   HA)
assign (segid "   A" and resid   96 and name HD12) (segid "   A" and resid   21 and name   HA) 3.973 1.973 1.973 weight 1.000 ! spec=13C_...spin, no=606, id=1650, vol=3.230335e+06
    or (segid "   A" and resid   96 and name HD11) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   96 and name HD13) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   96 and name HD12) (segid "   A" and resid   96 and name  HB2) 1.801 0.405 0.405 weight 1.000 ! spec=13C_...spin, no=607, id=1651, vol=2.755858e+08
    or (segid "   A" and resid   96 and name HD11) (segid "   A" and resid   96 and name  HB2)
    or (segid "   A" and resid   96 and name HD13) (segid "   A" and resid   96 and name  HB2)
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name  HB2) 2.335 0.682 0.682 weight 1.000 ! spec=13C_...spin, no=609, id=1652, vol=6.684777e+07
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name  HB1)
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name  HB3)
assign (segid "   A" and resid   95 and name  HB2) (segid "   A" and resid   92 and name   HA) 2.782 0.968 0.968 weight 1.000 ! spec=13C_...spin, no=611, id=1654, vol=3.022406e+07
    or (segid "   A" and resid   95 and name  HB1) (segid "   A" and resid   92 and name   HA)
    or (segid "   A" and resid   95 and name  HB3) (segid "   A" and resid   92 and name   HA)
assign (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   93 and name   HG) 2.129 0.566 3.871 weight 1.000 ! spec=13C_...spin, no=612, id=1655, vol=1.578804e+08
assign (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   93 and name  HB2) 1.919 0.460 0.460 weight 1.000 ! spec=13C_...spin, no=614, id=1657, vol=1.069451e+08
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   93 and name   HA) 4.124 2.126 2.126 weight 1.000 ! spec=13C_...spin, no=615, id=1658, vol=5.509144e+06
assign (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   93 and name   HA) 3.360 1.411 1.411 weight 1.000 ! spec=13C_...spin, no=616, id=1659, vol=7.317214e+06
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   93 and name   HG) 2.409 0.725 0.725 weight 1.000 ! spec=13C_...spin, no=617, id=1660, vol=6.145642e+07
assign (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   93 and name   HG) 3.233 1.307 1.307 weight 1.000 ! spec=13C_...spin, no=618, id=1661, vol=2.553125e+07
assign (segid "   A" and resid   93 and name HD22) (segid "   A" and resid   93 and name   HA) 2.914 1.062 1.062 weight 1.000 ! spec=13C_...spin, no=621, id=1662, vol=1.377052e+07
    or (segid "   A" and resid   93 and name HD21) (segid "   A" and resid   93 and name   HA)
    or (segid "   A" and resid   93 and name HD23) (segid "   A" and resid   93 and name   HA)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HE1) 5.279 3.484 3.484 weight 1.000 ! spec=13C_...spin, no=625, id=1666, vol=3.826684e+06
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HE2)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB1) 3.290 1.353 1.353 weight 1.000 ! spec=13C_...spin, no=626, id=1667, vol=3.737281e+07
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB2) 3.643 1.659 1.659 weight 1.000 ! spec=13C_...spin, no=627, id=1668, vol=7.895921e+06
assign (segid "   A" and resid   92 and name  HB1) (segid "   A" and resid   92 and name  HD1) 4.376 2.394 2.394 weight 1.000 ! spec=13C_...spin, no=628, id=1669, vol=7.650838e+06
    or (segid "   A" and resid   92 and name  HB1) (segid "   A" and resid   92 and name  HD2)
assign (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   93 and name   HG) 2.371 0.703 0.703 weight 1.000 ! spec=13C_...spin, no=633, id=1672, vol=8.270246e+07
assign (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   87 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=13C_...spin, no=637, id=1675, vol=2.555173e+07
assign (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   89 and name  HB2) 2.763 0.955 0.955 weight 1.000 ! spec=13C_...spin, no=650, id=1687, vol=4.227229e+07
assign (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   89 and name  HB1) 3.271 1.338 1.338 weight 1.000 ! spec=13C_...spin, no=654, id=1691, vol=3.906288e+07
assign (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid   89 and name  HB1) 2.311 0.668 0.668 weight 1.000 ! spec=13C_...spin, no=655, id=1692, vol=4.559780e+07
assign (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   80 and name HD22) 3.983 1.983 1.983 weight 1.000 ! spec=13C_...spin, no=658, id=1695, vol=1.935381e+07
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   93 and name   HG) 4.441 2.466 2.466 weight 1.000 ! spec=13C_...spin, no=663, id=1699, vol=5.484088e+06
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   93 and name   HG)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   91 and name  HB1) 2.757 0.950 0.950 weight 1.000 ! spec=13C_...spin, no=678, id=1707, vol=3.386183e+07
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HB1) 3.778 1.784 1.784 weight 1.000 ! spec=13C_...spin, no=684, id=1710, vol=8.030061e+06
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HB2) 3.924 1.924 1.924 weight 1.000 ! spec=13C_...spin, no=685, id=1711, vol=8.097630e+06
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HD1) 4.679 2.736 2.736 weight 1.000 ! spec=13C_...spin, no=687, id=1713, vol=1.157361e+07
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HD2)
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   89 and name  HB2) 3.967 1.967 1.967 weight 1.000 ! spec=13C_...spin, no=688, id=1714, vol=1.994093e+07
    or (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   89 and name  HB2)
    or (segid "   A" and resid   86 and name  HB3) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB2) 2.505 0.784 0.784 weight 1.000 ! spec=13C_...spin, no=691, id=1715, vol=5.320573e+07
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB1)
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB3)
assign (segid "   A" and resid   85 and name  HA2) (segid "   A" and resid   85 and name  HA1) 2.191 0.600 0.600 weight 1.000 ! spec=13C_...spin, no=696, id=1717, vol=5.963681e+07
assign (segid "   A" and resid   85 and name  HA2) (segid "   A" and resid   80 and name HD22) 3.393 1.439 1.439 weight 1.000 ! spec=13C_...spin, no=697, id=1718, vol=1.759117e+07
    or (segid "   A" and resid   85 and name  HA2) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   85 and name  HA2) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   85 and name  HA1) (segid "   A" and resid   80 and name HD22) 4.221 2.227 2.227 weight 1.000 ! spec=13C_...spin, no=698, id=1719, vol=4.220340e+06
    or (segid "   A" and resid   85 and name  HA1) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   85 and name  HA1) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name  HB2) 3.443 1.482 1.482 weight 1.000 ! spec=13C_...spin, no=699, id=1720, vol=2.795204e+07
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name  HB1) 3.108 1.207 1.207 weight 1.000 ! spec=13C_...spin, no=700, id=1721, vol=2.809902e+07
assign (segid "   A" and resid   84 and name  HB2) (segid "   A" and resid   84 and name  HB1) 1.801 0.406 0.406 weight 1.000 ! spec=13C_...spin, no=707, id=1723, vol=2.793143e+08
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   84 and name   HA) 4.920 3.025 3.025 weight 1.000 ! spec=13C_...spin, no=714, id=1730, vol=3.145426e+06
assign (segid "   A" and resid   83 and name  HB2) (segid "   A" and resid   83 and name   HA) 2.315 0.670 0.670 weight 1.000 ! spec=13C_...spin, no=715, id=1731, vol=8.942723e+07
    or (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   83 and name   HA)
    or (segid "   A" and resid   83 and name  HB3) (segid "   A" and resid   83 and name   HA)
assign (segid "   A" and resid   83 and name  HB2) (segid "   A" and resid   84 and name   HA) 4.378 2.396 2.396 weight 1.000 ! spec=13C_...spin, no=716, id=1732, vol=5.532926e+06
    or (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   84 and name   HA)
    or (segid "   A" and resid   83 and name  HB3) (segid "   A" and resid   84 and name   HA)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HB2) 3.769 1.776 1.776 weight 1.000 ! spec=13C_...spin, no=718, id=1734, vol=1.220641e+07
assign (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name  HB1) 1.745 0.381 0.381 weight 1.000 ! spec=13C_...spin, no=719, id=1735, vol=2.107726e+08
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HB1) 3.391 1.438 1.438 weight 1.000 ! spec=13C_...spin, no=721, id=1736, vol=1.397260e+07
assign (segid "   A" and resid   82 and name  HG2) (segid "   A" and resid   82 and name  HG1) 1.404 0.247 4.596 weight 1.000 ! spec=13C_...spin, no=722, id=1737, vol=8.525161e+08
assign (segid "   A" and resid   82 and name  HG2) (segid "   A" and resid   82 and name  HB2) 2.233 0.623 0.623 weight 1.000 ! spec=13C_...spin, no=724, id=1739, vol=1.572182e+08
assign (segid "   A" and resid   82 and name  HG1) (segid "   A" and resid   82 and name  HB2) 2.205 0.608 0.608 weight 1.000 ! spec=13C_...spin, no=725, id=1740, vol=1.673324e+08
assign (segid "   A" and resid   82 and name  HG1) (segid "   A" and resid   82 and name   HA) 3.660 1.675 1.675 weight 1.000 ! spec=13C_...spin, no=728, id=1741, vol=1.862777e+07
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HG2) 3.469 1.504 1.504 weight 1.000 ! spec=13C_...spin, no=729, id=1742, vol=1.817351e+07
assign (segid "   A" and resid   81 and name  HG1) (segid "   A" and resid   81 and name  HG2) 2.567 0.824 0.824 weight 1.000 ! spec=13C_...spin, no=731, id=1744, vol=2.228269e+07
assign (segid "   A" and resid   81 and name  HG1) (segid "   A" and resid   81 and name   HA) 7.028 6.173 6.173 weight 1.000 ! spec=13C_...spin, no=737, id=1748, vol=5.818496e+05
assign (segid "   A" and resid   81 and name  HG2) (segid "   A" and resid   81 and name   HA) 5.036 3.171 3.171 weight 1.000 ! spec=13C_...spin, no=738, id=1749, vol=1.526836e+06
assign (segid "   A" and resid   81 and name  HG1) (segid "   A" and resid   78 and name   HA) 3.201 1.281 1.281 weight 1.000 ! spec=13C_...spin, no=739, id=1750, vol=1.793714e+07
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   85 and name  HA1) 2.974 1.106 1.106 weight 1.000 ! spec=13C_...spin, no=741, id=1751, vol=1.837866e+07
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name  HB1) 2.582 0.833 0.833 weight 1.000 ! spec=13C_...spin, no=746, id=1756, vol=1.950840e+07
assign (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD22) 3.275 1.341 1.341 weight 1.000 ! spec=13C_...spin, no=748, id=1758, vol=1.164785e+07
    or (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name  HB2) 3.868 1.870 1.870 weight 1.000 ! spec=13C_...spin, no=752, id=1761, vol=1.079177e+07
assign (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD22) 3.070 1.178 1.178 weight 1.000 ! spec=13C_...spin, no=754, id=1762, vol=7.992636e+06
    or (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name   HG) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   77 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=13C_...spin, no=764, id=1770, vol=5.543411e+07
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   77 and name   HA)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name HD22) 2.920 1.065 1.065 weight 1.000 ! spec=13C_...spin, no=765, id=1771, vol=8.005724e+07
    or (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   88 and name  HB1) 3.320 1.378 1.378 weight 1.000 ! spec=13C_...spin, no=768, id=1774, vol=9.700073e+06
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid   88 and name  HB1)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid   88 and name  HB1)
assign (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   80 and name HD22) 3.930 1.930 1.930 weight 1.000 ! spec=13C_...spin, no=770, id=1776, vol=7.185144e+06
    or (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name   HA) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid  128 and name  HE1) 4.141 2.143 2.143 weight 1.000 ! spec=13C_...spin, no=771, id=1777, vol=9.083646e+06
    or (segid "   A" and resid   80 and name HD22) (segid "   A" and resid  128 and name  HE2)
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid  128 and name  HE1)
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid  128 and name  HE2)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid  128 and name  HE1)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid  128 and name  HE2)
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid  128 and name  HD1) 3.277 1.343 1.343 weight 1.000 ! spec=13C_...spin, no=772, id=1778, vol=3.194710e+07
    or (segid "   A" and resid   80 and name HD22) (segid "   A" and resid  128 and name  HD2)
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid  128 and name  HD1)
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid  128 and name  HD2)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid  128 and name  HD1)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD22) 3.939 1.939 1.939 weight 1.000 ! spec=13C_...spin, no=773, id=1779, vol=1.642019e+07
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD23)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD22)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   81 and name  HG2) (segid "   A" and resid   78 and name   HA) 3.821 1.825 1.825 weight 1.000 ! spec=13C_...spin, no=785, id=1782, vol=1.084632e+07
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HG2) 4.250 2.258 2.258 weight 1.000 ! spec=13C_...spin, no=786, id=1783, vol=1.394535e+07
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB1) 3.178 1.262 1.262 weight 1.000 ! spec=13C_...spin, no=788, id=1785, vol=3.997183e+07
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid    9 and name HG21) 3.132 1.227 1.227 weight 1.000 ! spec=13C_...spin, no=789, id=1786, vol=1.518135e+07
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   77 and name HG22) 4.665 2.721 2.721 weight 1.000 ! spec=13C_...spin, no=790, id=1787, vol=2.086504e+06
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=13C_...spin, no=791, id=1788, vol=3.077821e+07
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HG1) 2.797 0.978 0.978 weight 1.000 ! spec=13C_...spin, no=796, id=1789, vol=5.102288e+07
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HG11) 4.121 2.122 2.122 weight 1.000 ! spec=13C_...spin, no=800, id=1791, vol=7.840946e+06
assign (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HD12) 2.869 1.029 1.029 weight 1.000 ! spec=13C_...spin, no=806, id=1797, vol=2.835126e+07
    or (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HD13)
assign (segid "   A" and resid   77 and name HG12) (segid "   A" and resid   77 and name HG11) 2.648 0.876 0.876 weight 1.000 ! spec=13C_...spin, no=809, id=1799, vol=1.087627e+07
assign (segid "   A" and resid   77 and name HG11) (segid "   A" and resid  128 and name   HZ) 4.918 3.024 3.024 weight 1.000 ! spec=13C_...spin, no=813, id=1801, vol=3.538918e+06
assign (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HG22) 2.740 0.938 0.938 weight 1.000 ! spec=13C_...spin, no=816, id=1803, vol=1.776511e+07
    or (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   13 and name  HB2) 2.596 0.843 0.843 weight 1.000 ! spec=13C_...spin, no=818, id=1804, vol=3.907045e+07
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   10 and name   HA) 4.064 2.064 2.064 weight 1.000 ! spec=13C_...spin, no=820, id=1806, vol=3.694234e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   13 and name  HD1) 3.995 1.995 1.995 weight 1.000 ! spec=13C_...spin, no=821, id=1807, vol=9.104109e+06
    or (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   77 and name HG11) 2.477 0.767 0.767 weight 1.000 ! spec=13C_...spin, no=825, id=1810, vol=3.598529e+07
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   77 and name HG11)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   77 and name HG11)
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   72 and name  HB2) 3.845 1.848 1.848 weight 1.000 ! spec=13C_...spin, no=826, id=1811, vol=4.970031e+06
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   72 and name  HB2)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   72 and name  HB2)
assign (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   74 and name   HA) 2.454 0.753 0.753 weight 1.000 ! spec=13C_...spin, no=839, id=1817, vol=7.754411e+07
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG21) 2.965 1.099 1.099 weight 1.000 ! spec=13C_...spin, no=840, id=1818, vol=2.022236e+07
    or (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   74 and name   HA) 3.292 1.355 1.355 weight 1.000 ! spec=13C_...spin, no=841, id=1819, vol=1.213884e+07
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   74 and name   HA)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   74 and name   HA)
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name   HB) 3.260 1.329 1.329 weight 1.000 ! spec=13C_...spin, no=842, id=1820, vol=2.142920e+07
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG21) 2.095 0.549 0.549 weight 1.000 ! spec=13C_...spin, no=843, id=1821, vol=1.322425e+08
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   74 and name HG21) 3.331 1.387 1.387 weight 1.000 ! spec=13C_...spin, no=845, id=1822, vol=1.465888e+07
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   74 and name HG23)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   74 and name HG21)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   74 and name HG23)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   74 and name HG21)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   73 and name  HB1) 2.292 0.657 0.657 weight 1.000 ! spec=13C_...spin, no=852, id=1826, vol=1.174989e+08
assign (segid "   A" and resid   72 and name   HA) (segid "   A" and resid  126 and name HD22) 5.606 3.929 3.929 weight 1.000 ! spec=13C_...spin, no=855, id=1828, vol=2.318630e+06
    or (segid "   A" and resid   72 and name   HA) (segid "   A" and resid  126 and name HD21)
    or (segid "   A" and resid   72 and name   HA) (segid "   A" and resid  126 and name HD23)
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   72 and name  HB1) 2.531 0.801 0.801 weight 1.000 ! spec=13C_...spin, no=857, id=1830, vol=2.771283e+07
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   72 and name  HB1) 4.117 2.118 2.118 weight 1.000 ! spec=13C_...spin, no=858, id=1831, vol=1.022729e+07
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   72 and name  HB1)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   72 and name  HB1)
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   72 and name   HA) 6.683 5.582 5.582 weight 1.000 ! spec=13C_...spin, no=860, id=1833, vol=4.744904e+05
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   72 and name  HE3) 4.585 2.627 2.627 weight 1.000 ! spec=13C_...spin, no=861, id=1834, vol=2.049953e+07
assign (segid "   A" and resid   72 and name  HD1) (segid "   A" and resid   72 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=13C_...spin, no=862, id=1835, vol=8.747050e+06
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   72 and name  HH2) 1.627 0.331 4.373 weight 1.000 ! spec=13C_...spin, no=864, id=1837, vol=1.183017e+09
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid  126 and name HD12) 5.221 3.407 3.407 weight 1.000 ! spec=13C_...spin, no=868, id=1841, vol=2.249559e+06
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   72 and name  HZ3) 7.855 7.712 7.712 weight 1.000 ! spec=13C_...spin, no=869, id=1842, vol=4.435113e+05
assign (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   49 and name HG12) 2.779 0.965 0.965 weight 1.000 ! spec=13C_...spin, no=878, id=1845, vol=2.469702e+07
    or (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name HG21) 3.312 1.372 1.372 weight 1.000 ! spec=13C_...spin, no=883, id=1848, vol=1.422197e+07
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   72 and name  HE3) 3.642 1.658 1.658 weight 1.000 ! spec=13C_...spin, no=884, id=1849, vol=1.314540e+07
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name   HB) 3.091 1.194 1.194 weight 1.000 ! spec=13C_...spin, no=886, id=1850, vol=1.919854e+07
assign (segid "   A" and resid   71 and name   HB) (segid "   A" and resid   71 and name HG21) 2.392 0.715 0.715 weight 1.000 ! spec=13C_...spin, no=892, id=1852, vol=5.370786e+07
    or (segid "   A" and resid   71 and name   HB) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   71 and name   HB) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   35 and name HG21) (segid "   A" and resid   35 and name   HA) 1.728 0.373 4.272 weight 1.000 ! spec=13C_...spin, no=893, id=1853, vol=7.056710e+08
    or (segid "   A" and resid   35 and name HG22) (segid "   A" and resid   35 and name   HA)
    or (segid "   A" and resid   35 and name HG23) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name  HB2) 1.952 0.477 0.477 weight 1.000 ! spec=13C_...spin, no=897, id=1855, vol=7.828321e+07
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name   HG) 3.558 1.583 1.583 weight 1.000 ! spec=13C_...spin, no=898, id=1856, vol=1.135546e+07
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name HD22) 4.091 2.092 2.092 weight 1.000 ! spec=13C_...spin, no=900, id=1857, vol=1.938522e+06
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid  126 and name HD12) 3.329 1.386 1.386 weight 1.000 ! spec=13C_...spin, no=902, id=1859, vol=1.686223e+07
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name   HA) 3.608 1.627 1.627 weight 1.000 ! spec=13C_...spin, no=904, id=1860, vol=5.781275e+06
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name   HA) 4.653 2.706 2.706 weight 1.000 ! spec=13C_...spin, no=905, id=1861, vol=2.815162e+06
assign (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   69 and name   HA) 5.233 3.423 3.423 weight 1.000 ! spec=13C_...spin, no=906, id=1862, vol=2.060988e+06
assign (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   70 and name   HA) 4.264 2.272 2.272 weight 1.000 ! spec=13C_...spin, no=907, id=1863, vol=2.373174e+06
assign (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   70 and name HD12) 1.664 0.346 4.336 weight 1.000 ! spec=13C_...spin, no=908, id=1864, vol=2.741016e+08
    or (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   70 and name HD13)
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  123 and name HD12) 1.484 0.275 4.516 weight 1.000 ! spec=13C_...spin, no=910, id=1865, vol=2.267584e+08
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  123 and name HD12)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  123 and name HD12)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name HD12) 1.511 0.285 4.489 weight 1.000 ! spec=13C_...spin, no=911, id=1866, vol=3.629195e+08
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name HD13)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name HD12)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name HD13)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name HD12)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name HD13)
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  123 and name   HG) 2.282 0.651 3.718 weight 1.000 ! spec=13C_...spin, no=912, id=1867, vol=9.955720e+07
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  123 and name   HG)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  123 and name   HG)
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD22) 2.647 0.876 0.876 weight 1.000 ! spec=13C_...spin, no=913, id=1868, vol=1.102686e+08
    or (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name   HA) 3.420 1.462 1.462 weight 1.000 ! spec=13C_...spin, no=914, id=1869, vol=7.243766e+06
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name   HA)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name   HA)
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid  103 and name  HZ3) 2.720 0.925 0.925 weight 1.000 ! spec=13C_...spin, no=915, id=1870, vol=4.425543e+07
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid  103 and name  HZ3)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid  103 and name  HZ3)
assign (segid "   A" and resid   70 and name HD12) (segid "   A" and resid   68 and name HD22) 2.237 0.625 0.625 weight 1.000 ! spec=13C_...spin, no=920, id=1875, vol=4.286893e+07
    or (segid "   A" and resid   70 and name HD12) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   70 and name HD12) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   70 and name HD12) (segid "   A" and resid  103 and name  HH2) 4.489 2.519 2.519 weight 1.000 ! spec=13C_...spin, no=921, id=1876, vol=2.648972e+06
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid  103 and name  HH2)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid  103 and name  HH2)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HB2) 2.223 0.618 0.618 weight 1.000 ! spec=13C_...spin, no=924, id=1878, vol=7.119966e+07
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   69 and name  HB2) 4.603 2.649 2.649 weight 1.000 ! spec=13C_...spin, no=927, id=1880, vol=5.615657e+06
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name   HG) 3.186 1.268 1.268 weight 1.000 ! spec=13C_...spin, no=929, id=1882, vol=1.991608e+07
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   68 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=13C_...spin, no=930, id=1883, vol=2.503214e+07
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   68 and name   HA) 4.006 2.006 2.006 weight 1.000 ! spec=13C_...spin, no=931, id=1884, vol=1.559615e+07
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD12) 2.103 0.553 0.553 weight 1.000 ! spec=13C_...spin, no=933, id=1886, vol=1.482959e+08
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD11)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   51 and name   HB) 2.903 1.053 1.053 weight 1.000 ! spec=13C_...spin, no=934, id=1887, vol=2.314912e+07
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB1) 3.542 1.569 1.569 weight 1.000 ! spec=13C_...spin, no=935, id=1888, vol=1.537896e+07
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB2) 2.774 0.962 0.962 weight 1.000 ! spec=13C_...spin, no=936, id=1889, vol=2.164754e+07
assign (segid "   A" and resid   68 and name   HG) (segid "   A" and resid   68 and name HD12) 1.971 0.486 0.486 weight 1.000 ! spec=13C_...spin, no=940, id=1893, vol=9.773643e+07
    or (segid "   A" and resid   68 and name   HG) (segid "   A" and resid   68 and name HD11)
    or (segid "   A" and resid   68 and name   HG) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD22) 2.618 0.857 0.857 weight 1.000 ! spec=13C_...spin, no=941, id=1894, vol=4.992197e+07
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD23)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD22)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD12) 2.380 0.708 0.708 weight 1.000 ! spec=13C_...spin, no=942, id=1895, vol=2.648894e+07
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD12)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid  123 and name HD13)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD12)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid   68 and name HD22) (segid "   A" and resid  111 and name  HE1) 4.197 2.202 2.202 weight 1.000 ! spec=13C_...spin, no=947, id=1897, vol=1.411922e+07
    or (segid "   A" and resid   68 and name HD22) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid  111 and name  HE2)
assign (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   51 and name   HB) 2.923 1.068 1.068 weight 1.000 ! spec=13C_...spin, no=950, id=1900, vol=3.467945e+07
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   51 and name   HB)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   51 and name   HB)
assign (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD22) 2.067 0.534 0.534 weight 1.000 ! spec=13C_...spin, no=951, id=1901, vol=1.129688e+08
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   67 and name  HB1) 3.591 1.612 1.612 weight 1.000 ! spec=13C_...spin, no=955, id=1905, vol=1.704202e+07
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name  HB1) 1.995 0.497 0.497 weight 1.000 ! spec=13C_...spin, no=957, id=1907, vol=1.102900e+08
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   67 and name  HB2) 2.968 1.101 1.101 weight 1.000 ! spec=13C_...spin, no=958, id=1908, vol=2.498133e+07
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name  HB1) 1.849 0.427 0.427 weight 1.000 ! spec=13C_...spin, no=964, id=1911, vol=1.075666e+08
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name  HB1) 2.981 1.111 1.111 weight 1.000 ! spec=13C_...spin, no=969, id=1915, vol=4.789352e+07
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name HD22) 2.057 0.529 0.529 weight 1.000 ! spec=13C_...spin, no=983, id=1919, vol=1.136602e+08
    or (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   66 and name HD12) (segid "   A" and resid  111 and name  HD1) 3.718 1.728 1.728 weight 1.000 ! spec=13C_...spin, no=985, id=1920, vol=1.506511e+07
    or (segid "   A" and resid   66 and name HD12) (segid "   A" and resid  111 and name  HD2)
    or (segid "   A" and resid   66 and name HD11) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid   66 and name HD11) (segid "   A" and resid  111 and name  HD2)
    or (segid "   A" and resid   66 and name HD13) (segid "   A" and resid  111 and name  HD1)
    or (segid "   A" and resid   66 and name HD13) (segid "   A" and resid  111 and name  HD2)
assign (segid "   A" and resid   66 and name HD12) (segid "   A" and resid  111 and name   HA) 3.411 1.455 1.455 weight 1.000 ! spec=13C_...spin, no=986, id=1921, vol=9.610893e+06
    or (segid "   A" and resid   66 and name HD11) (segid "   A" and resid  111 and name   HA)
    or (segid "   A" and resid   66 and name HD13) (segid "   A" and resid  111 and name   HA)
assign (segid "   A" and resid   66 and name HD12) (segid "   A" and resid   66 and name   HA) 3.309 1.369 1.369 weight 1.000 ! spec=13C_...spin, no=987, id=1922, vol=1.281352e+07
    or (segid "   A" and resid   66 and name HD11) (segid "   A" and resid   66 and name   HA)
    or (segid "   A" and resid   66 and name HD13) (segid "   A" and resid   66 and name   HA)
assign (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   64 and name  HB2) 2.034 0.517 0.517 weight 1.000 ! spec=13C_...spin, no=1002, id=1930, vol=1.008932e+08
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name   HA) 4.240 2.247 2.247 weight 1.000 ! spec=13C_...spin, no=1003, id=1931, vol=6.754356e+06
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB1) 2.365 0.699 0.699 weight 1.000 ! spec=13C_...spin, no=1004, id=1932, vol=8.959188e+07
assign (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid  119 and name   HA) 5.045 3.181 3.181 weight 1.000 ! spec=13C_...spin, no=1005, id=1933, vol=3.779340e+06
assign (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid   64 and name  HB2) 3.028 1.146 1.146 weight 1.000 ! spec=13C_...spin, no=1006, id=1934, vol=2.234720e+07
assign (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid   63 and name  HB2) 3.564 1.588 1.588 weight 1.000 ! spec=13C_...spin, no=1007, id=1935, vol=2.627281e+07
    or (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid   63 and name  HB3)
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name  HB2) 1.902 0.452 0.452 weight 1.000 ! spec=13C_...spin, no=1011, id=1939, vol=2.798256e+08
    or (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name  HB3)
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HB2) 4.172 2.176 2.176 weight 1.000 ! spec=13C_...spin, no=1013, id=1941, vol=9.442443e+06
assign (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name  HB2) 2.126 0.565 0.565 weight 1.000 ! spec=13C_...spin, no=1018, id=1945, vol=6.899938e+07
assign (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name   HA) 3.252 1.322 1.322 weight 1.000 ! spec=13C_...spin, no=1019, id=1946, vol=1.417283e+07
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid  117 and name   HA) 3.394 1.440 1.440 weight 1.000 ! spec=13C_...spin, no=1026, id=1951, vol=4.008890e+07
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid  117 and name   HA)
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid  117 and name  HB2) 4.959 3.074 3.074 weight 1.000 ! spec=13C_...spin, no=1034, id=1955, vol=3.950756e+06
    or (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid  117 and name  HB3)
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid  117 and name  HB2)
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid   61 and name  HA2) (segid "   A" and resid   61 and name  HA1) 1.903 0.453 0.453 weight 1.000 ! spec=13C_...spin, no=1037, id=1956, vol=2.031414e+08
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name  HG1) 1.668 0.348 4.332 weight 1.000 ! spec=13C_...spin, no=1041, id=1960, vol=9.339794e+08
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HG1) 2.127 0.565 0.565 weight 1.000 ! spec=13C_...spin, no=1042, id=1961, vol=1.713814e+08
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB1) 3.018 1.138 1.138 weight 1.000 ! spec=13C_...spin, no=1045, id=1964, vol=2.508325e+07
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB2) 2.976 1.107 1.107 weight 1.000 ! spec=13C_...spin, no=1046, id=1965, vol=3.791798e+07
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG22) 2.359 0.696 0.696 weight 1.000 ! spec=13C_...spin, no=1053, id=1969, vol=7.572089e+07
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG22) 1.983 0.491 0.491 weight 1.000 ! spec=13C_...spin, no=1055, id=1971, vol=9.593534e+07
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   58 and name  HE1) (segid "   A" and resid   58 and name  HD2) 4.422 2.445 2.445 weight 1.000 ! spec=13C_...spin, no=1064, id=1978, vol=1.238510e+07
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   56 and name  HB2) 1.673 0.350 4.327 weight 1.000 ! spec=13C_...spin, no=1071, id=1984, vol=5.593786e+08
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   56 and name  HB1)
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   56 and name  HB3)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HB1) 2.533 0.802 0.802 weight 1.000 ! spec=13C_...spin, no=1076, id=1989, vol=6.154080e+07
assign (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HB1) 2.026 0.513 0.513 weight 1.000 ! spec=13C_...spin, no=1078, id=1991, vol=8.835902e+07
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HB2) 3.481 1.515 1.515 weight 1.000 ! spec=13C_...spin, no=1082, id=1995, vol=2.605466e+07
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   33 and name   HA) 2.330 0.678 0.678 weight 1.000 ! spec=13C_...spin, no=1087, id=2000, vol=1.141428e+08
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name   HB) 3.386 1.433 1.433 weight 1.000 ! spec=13C_...spin, no=1103, id=2006, vol=1.244940e+07
assign (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   51 and name   HA) 5.246 3.440 3.440 weight 1.000 ! spec=13C_...spin, no=1104, id=2007, vol=6.000571e+06
assign (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG22) 1.846 0.426 0.426 weight 1.000 ! spec=13C_...spin, no=1105, id=2008, vol=2.199057e+08
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG22) 2.729 0.931 0.931 weight 1.000 ! spec=13C_...spin, no=1107, id=2009, vol=2.965509e+07
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG22) 2.881 1.038 1.038 weight 1.000 ! spec=13C_...spin, no=1108, id=2010, vol=2.905169e+07
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG12) 3.132 1.226 1.226 weight 1.000 ! spec=13C_...spin, no=1111, id=2011, vol=1.468245e+07
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG12) 4.120 2.122 2.122 weight 1.000 ! spec=13C_...spin, no=1112, id=2012, vol=5.960869e+06
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name   HA) 2.663 0.886 0.886 weight 1.000 ! spec=13C_...spin, no=1117, id=2014, vol=2.845632e+07
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   51 and name   HB) 3.528 1.556 1.556 weight 1.000 ! spec=13C_...spin, no=1120, id=2017, vol=4.639577e+07
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name   HB) 4.660 2.714 2.714 weight 1.000 ! spec=13C_...spin, no=1125, id=2019, vol=2.226599e+06
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG22) 3.391 1.437 1.437 weight 1.000 ! spec=13C_...spin, no=1128, id=2021, vol=8.460429e+06
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG22) 2.513 0.790 0.790 weight 1.000 ! spec=13C_...spin, no=1131, id=2024, vol=2.913406e+07
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   53 and name  HB2) 2.154 0.580 3.846 weight 1.000 ! spec=13C_...spin, no=1132, id=2025, vol=4.812461e+07
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   53 and name  HB3)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   53 and name  HB3)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   53 and name  HB3)
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG22) 1.908 0.455 0.455 weight 1.000 ! spec=13C_...spin, no=1133, id=2026, vol=1.491670e+08
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   50 and name   HA) 2.437 0.742 0.742 weight 1.000 ! spec=13C_...spin, no=1134, id=2027, vol=7.857629e+07
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   51 and name HG11) 3.201 1.281 1.281 weight 1.000 ! spec=13C_...spin, no=1139, id=2030, vol=1.973351e+07
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   69 and name  HB2) 4.846 2.935 2.935 weight 1.000 ! spec=13C_...spin, no=1140, id=2031, vol=5.454292e+06
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name   HB) 4.193 2.198 2.198 weight 1.000 ! spec=13C_...spin, no=1145, id=2035, vol=2.359543e+06
assign (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG22) 2.683 0.900 0.900 weight 1.000 ! spec=13C_...spin, no=1150, id=2039, vol=2.056136e+07
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG22) 2.203 0.606 0.606 weight 1.000 ! spec=13C_...spin, no=1153, id=2042, vol=1.110506e+08
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   49 and name HG22) (segid "   A" and resid   22 and name   HA) 3.050 1.163 1.163 weight 1.000 ! spec=13C_...spin, no=1155, id=2043, vol=1.541283e+07
    or (segid "   A" and resid   49 and name HG21) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   49 and name HG23) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   49 and name HG22) (segid "   A" and resid   49 and name HG12) 1.701 0.361 0.361 weight 1.000 ! spec=13C_...spin, no=1158, id=2045, vol=1.739448e+08
    or (segid "   A" and resid   49 and name HG22) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name HG22) (segid "   A" and resid   49 and name HG13)
    or (segid "   A" and resid   49 and name HG21) (segid "   A" and resid   49 and name HG12)
    or (segid "   A" and resid   49 and name HG21) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name HG21) (segid "   A" and resid   49 and name HG13)
    or (segid "   A" and resid   49 and name HG23) (segid "   A" and resid   49 and name HG12)
    or (segid "   A" and resid   49 and name HG23) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name HG23) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG12) 3.381 1.429 1.429 weight 1.000 ! spec=13C_...spin, no=1159, id=2046, vol=1.788690e+07
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG12) 2.745 0.942 0.942 weight 1.000 ! spec=13C_...spin, no=1160, id=2047, vol=1.714687e+07
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   49 and name HG12) (segid "   A" and resid   70 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=13C_...spin, no=1162, id=2049, vol=7.753122e+07
    or (segid "   A" and resid   49 and name HG11) (segid "   A" and resid   70 and name  HB1)
    or (segid "   A" and resid   49 and name HG13) (segid "   A" and resid   70 and name  HB1)
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   70 and name  HB2) 4.876 2.972 2.972 weight 1.000 ! spec=13C_...spin, no=1169, id=2053, vol=4.076330e+06
assign (segid "   A" and resid   71 and name HG21) (segid "   A" and resid   48 and name   HA) 4.072 2.073 2.073 weight 1.000 ! spec=13C_...spin, no=1170, id=2054, vol=1.589193e+07
    or (segid "   A" and resid   71 and name HG22) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   71 and name HG23) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG21) 2.946 1.085 1.085 weight 1.000 ! spec=13C_...spin, no=1174, id=2057, vol=2.479225e+07
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG23)
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG21) 2.698 0.910 0.910 weight 1.000 ! spec=13C_...spin, no=1177, id=2058, vol=2.901228e+07
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG23)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   18 and name  HB2) 1.491 0.278 4.509 weight 1.000 ! spec=13C_...spin, no=1183, id=2062, vol=2.620271e+08
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   37 and name HG12) 1.502 0.282 4.498 weight 1.000 ! spec=13C_...spin, no=1188, id=2064, vol=1.534252e+08
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   37 and name HG13)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   37 and name HG12)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   37 and name HG13)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   37 and name HG12)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   37 and name HG13)
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HB1) 3.404 1.448 1.448 weight 1.000 ! spec=13C_...spin, no=1189, id=2065, vol=9.871935e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HG2) 5.369 3.604 3.604 weight 1.000 ! spec=13C_...spin, no=1192, id=2067, vol=4.321026e+06
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=13C_...spin, no=1199, id=2070, vol=6.770986e+07
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HB2) 2.372 0.703 0.703 weight 1.000 ! spec=13C_...spin, no=1204, id=2074, vol=3.861708e+07
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   71 and name HG21) 6.175 4.767 4.767 weight 1.000 ! spec=13C_...spin, no=1205, id=2075, vol=1.203691e+06
    or (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   71 and name HG21) 3.752 1.759 1.759 weight 1.000 ! spec=13C_...spin, no=1208, id=2076, vol=8.138876e+06
    or (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HG2) 2.981 1.111 1.111 weight 1.000 ! spec=13C_...spin, no=1210, id=2078, vol=6.644294e+07
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=13C_...spin, no=1212, id=2080, vol=3.699976e+07
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HG1) 2.874 1.033 1.033 weight 1.000 ! spec=13C_...spin, no=1214, id=2081, vol=2.616563e+07
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HE1) 5.210 3.393 3.393 weight 1.000 ! spec=13C_...spin, no=1221, id=2084, vol=4.786680e+06
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name  HB1) 2.005 0.503 0.503 weight 1.000 ! spec=13C_...spin, no=1224, id=2086, vol=1.395481e+08
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HA) 3.799 1.804 1.804 weight 1.000 ! spec=13C_...spin, no=1225, id=2087, vol=1.096430e+07
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB1) 3.861 1.864 1.864 weight 1.000 ! spec=13C_...spin, no=1226, id=2088, vol=6.523368e+06
assign (segid "   A" and resid   42 and name  HA1) (segid "   A" and resid   42 and name  HA2) 2.026 0.513 0.513 weight 1.000 ! spec=13C_...spin, no=1235, id=2092, vol=1.390924e+08
assign (segid "   A" and resid   45 and name  HD2) (segid "   A" and resid   45 and name  HE1) 4.480 2.509 2.509 weight 1.000 ! spec=13C_...spin, no=1240, id=2096, vol=1.056532e+07
assign (segid "   A" and resid   45 and name  HD2) (segid "   A" and resid   45 and name   HA) 5.317 3.534 3.534 weight 1.000 ! spec=13C_...spin, no=1242, id=2097, vol=2.241768e+06
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   45 and name  HD2) 3.771 1.778 1.778 weight 1.000 ! spec=13C_...spin, no=1243, id=2098, vol=8.244607e+06
assign (segid "   A" and resid   44 and name  HA1) (segid "   A" and resid   44 and name  HA2) 1.487 0.277 0.277 weight 1.000 ! spec=13C_...spin, no=1246, id=2100, vol=8.694051e+08
assign (segid "   A" and resid   41 and name  HA2) (segid "   A" and resid   41 and name  HA1) 2.403 0.722 0.722 weight 1.000 ! spec=13C_...spin, no=1249, id=2101, vol=5.043556e+07
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HB2) 2.976 1.107 1.107 weight 1.000 ! spec=13C_...spin, no=1251, id=2103, vol=2.601325e+07
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=13C_...spin, no=1258, id=2108, vol=3.790406e+07
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HB1) 2.978 1.108 1.108 weight 1.000 ! spec=13C_...spin, no=1260, id=2109, vol=6.364812e+07
assign (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG12) 1.517 0.288 4.483 weight 1.000 ! spec=13C_...spin, no=1275, id=2117, vol=4.494064e+08
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name   HB) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   38 and name HG12) 1.487 0.276 4.513 weight 1.000 ! spec=13C_...spin, no=1277, id=2119, vol=4.040397e+08
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name HG22) (segid "   A" and resid   38 and name HG13)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name HG21) (segid "   A" and resid   38 and name HG13)
    or (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   38 and name HG12)
    or (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name HG23) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG12) 2.441 0.745 0.745 weight 1.000 ! spec=13C_...spin, no=1279, id=2121, vol=6.428747e+07
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   22 and name  HB2) 1.495 0.279 4.505 weight 1.000 ! spec=13C_...spin, no=1284, id=2126, vol=1.175803e+08
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   22 and name  HB3)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   22 and name  HB3)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG22) 1.997 0.498 0.498 weight 1.000 ! spec=13C_...spin, no=1285, id=2127, vol=1.402527e+08
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   19 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=13C_...spin, no=1286, id=2128, vol=4.565569e+07
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG22) 2.572 0.827 0.827 weight 1.000 ! spec=13C_...spin, no=1287, id=2129, vol=3.637146e+07
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 3.450 1.488 1.488 weight 1.000 ! spec=13C_...spin, no=1289, id=2131, vol=2.312704e+07
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2) 3.303 1.364 1.364 weight 1.000 ! spec=13C_...spin, no=1290, id=2132, vol=1.692222e+07
assign (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=13C_...spin, no=1293, id=2134, vol=9.375056e+06
assign (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB2) 2.912 1.060 1.060 weight 1.000 ! spec=13C_...spin, no=1294, id=2135, vol=2.268504e+07
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   35 and name HG21) 2.528 0.799 0.799 weight 1.000 ! spec=13C_...spin, no=1295, id=2136, vol=3.500616e+07
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   35 and name HG23)
assign (segid "   A" and resid   35 and name HG21) (segid "   A" and resid   34 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=13C_...spin, no=1297, id=2137, vol=1.131546e+08
    or (segid "   A" and resid   35 and name HG22) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid   35 and name HG23) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB2) 3.386 1.433 1.433 weight 1.000 ! spec=13C_...spin, no=1300, id=2140, vol=1.224666e+07
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB1) 3.983 1.983 1.983 weight 1.000 ! spec=13C_...spin, no=1301, id=2141, vol=1.171689e+07
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   53 and name  HB2) 3.802 1.807 1.807 weight 1.000 ! spec=13C_...spin, no=1313, id=2144, vol=9.215773e+06
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   53 and name  HB3)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 3.245 1.317 1.317 weight 1.000 ! spec=13C_...spin, no=1321, id=2148, vol=1.734382e+07
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB2) 3.110 1.209 1.209 weight 1.000 ! spec=13C_...spin, no=1322, id=2149, vol=4.783888e+07
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name   HA) 2.760 0.952 0.952 weight 1.000 ! spec=13C_...spin, no=1328, id=2152, vol=4.604427e+07
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name   HA) 4.143 2.146 2.146 weight 1.000 ! spec=13C_...spin, no=1329, id=2153, vol=1.459682e+07
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name   HA) 3.750 1.758 1.758 weight 1.000 ! spec=13C_...spin, no=1335, id=2155, vol=1.463013e+07
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 3.547 1.573 1.573 weight 1.000 ! spec=13C_...spin, no=1337, id=2157, vol=2.520808e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   27 and name   HA) 5.205 3.387 3.387 weight 1.000 ! spec=13C_...spin, no=1339, id=2158, vol=2.871786e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.890 1.044 1.044 weight 1.000 ! spec=13C_...spin, no=1341, id=2160, vol=3.353067e+07
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HB1) 1.748 0.382 0.382 weight 1.000 ! spec=13C_...spin, no=1343, id=2162, vol=3.361199e+08
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   31 and name   HA) 3.685 1.698 1.698 weight 1.000 ! spec=13C_...spin, no=1345, id=2164, vol=1.639637e+07
assign (segid "   A" and resid   31 and name  HE1) (segid "   A" and resid   27 and name   HA) 4.813 2.895 2.895 weight 1.000 ! spec=13C_...spin, no=1348, id=2167, vol=3.877456e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name  HD2) 4.061 2.062 2.062 weight 1.000 ! spec=13C_...spin, no=1349, id=2168, vol=6.627273e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HB1) 1.558 0.303 0.303 weight 1.000 ! spec=13C_...spin, no=1354, id=2171, vol=5.752214e+08
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   32 and name  HG1) 3.379 1.427 1.427 weight 1.000 ! spec=13C_...spin, no=1359, id=2173, vol=1.299106e+07
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   32 and name  HG2) 5.068 3.211 3.211 weight 1.000 ! spec=13C_...spin, no=1362, id=2174, vol=4.560367e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB2) 3.653 1.668 1.668 weight 1.000 ! spec=13C_...spin, no=1364, id=2176, vol=2.129995e+07
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HG) 2.893 1.046 1.046 weight 1.000 ! spec=13C_...spin, no=1365, id=2177, vol=3.972049e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HG) 1.988 0.494 0.494 weight 1.000 ! spec=13C_...spin, no=1366, id=2178, vol=1.793328e+08
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 3.850 1.853 1.853 weight 1.000 ! spec=13C_...spin, no=1368, id=2180, vol=4.405790e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 4.303 2.314 2.314 weight 1.000 ! spec=13C_...spin, no=1369, id=2181, vol=6.285218e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HG) 2.549 0.812 0.812 weight 1.000 ! spec=13C_...spin, no=1374, id=2183, vol=9.133125e+07
assign (segid "   A" and resid   29 and name HD22) (segid "   A" and resid   29 and name   HA) 2.915 1.062 1.062 weight 1.000 ! spec=13C_...spin, no=1375, id=2184, vol=3.421088e+07
    or (segid "   A" and resid   29 and name HD21) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   29 and name HD23) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=13C_...spin, no=1380, id=2187, vol=2.078098e+07
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HA) 3.672 1.685 1.685 weight 1.000 ! spec=13C_...spin, no=1381, id=2188, vol=1.109728e+07
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HB1) 1.637 0.335 0.335 weight 1.000 ! spec=13C_...spin, no=1383, id=2190, vol=2.624936e+08
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name HD12) 2.332 0.680 0.680 weight 1.000 ! spec=13C_...spin, no=1384, id=2191, vol=7.188208e+07
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD22) 2.508 0.786 0.786 weight 1.000 ! spec=13C_...spin, no=1386, id=2192, vol=4.628473e+07
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD12) 2.071 0.536 0.536 weight 1.000 ! spec=13C_...spin, no=1387, id=2193, vol=9.668711e+07
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD22) 2.942 1.082 1.082 weight 1.000 ! spec=13C_...spin, no=1388, id=2194, vol=1.175801e+07
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   28 and name   HG) (segid "   A" and resid   28 and name   HA) 3.472 1.507 1.507 weight 1.000 ! spec=13C_...spin, no=1389, id=2195, vol=1.509179e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HD12) 2.848 1.014 1.014 weight 1.000 ! spec=13C_...spin, no=1395, id=2198, vol=3.514347e+07
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   27 and name   HA) 4.127 2.129 2.129 weight 1.000 ! spec=13C_...spin, no=1397, id=2200, vol=7.482690e+06
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HB2) 1.535 0.294 0.294 weight 1.000 ! spec=13C_...spin, no=1401, id=2203, vol=6.292728e+08
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 3.512 1.542 1.542 weight 1.000 ! spec=13C_...spin, no=1402, id=2204, vol=3.192180e+07
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2) 2.510 0.787 0.787 weight 1.000 ! spec=13C_...spin, no=1405, id=2205, vol=8.797142e+07
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.058 0.529 0.529 weight 1.000 ! spec=13C_...spin, no=1406, id=2206, vol=1.537312e+08
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB3)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.027 1.145 1.145 weight 1.000 ! spec=13C_...spin, no=1410, id=2209, vol=3.543078e+07
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   25 and name   HA) 2.416 0.730 0.730 weight 1.000 ! spec=13C_...spin, no=1412, id=2211, vol=6.973320e+07
    or (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HB) 3.641 1.657 1.657 weight 1.000 ! spec=13C_...spin, no=1420, id=2214, vol=9.555222e+06
assign (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   25 and name HG22) 1.669 0.348 0.348 weight 1.000 ! spec=13C_...spin, no=1434, id=2220, vol=3.208620e+08
    or (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   25 and name HG22)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   25 and name HG22)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   25 and name HG23)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG22) 2.158 0.582 0.582 weight 1.000 ! spec=13C_...spin, no=1435, id=2221, vol=7.182141e+07
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG23)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2) 2.038 0.519 0.519 weight 1.000 ! spec=13C_...spin, no=1438, id=2224, vol=1.833474e+08
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   35 and name   HA) 5.731 4.106 4.106 weight 1.000 ! spec=13C_...spin, no=1443, id=2226, vol=1.776007e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   35 and name   HA)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB2) 2.690 0.904 0.904 weight 1.000 ! spec=13C_...spin, no=1447, id=2230, vol=3.721444e+07
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG22) 2.361 0.697 0.697 weight 1.000 ! spec=13C_...spin, no=1452, id=2235, vol=4.327540e+07
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HD12) 2.960 1.096 1.096 weight 1.000 ! spec=13C_...spin, no=1454, id=2237, vol=1.814487e+07
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HG22) 1.972 0.486 0.486 weight 1.000 ! spec=13C_...spin, no=1457, id=2240, vol=2.426195e+08
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   89 and name   HZ) 3.236 1.309 1.309 weight 1.000 ! spec=13C_...spin, no=1459, id=2242, vol=3.069430e+07
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   89 and name   HZ)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   89 and name   HZ)
assign (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   21 and name HD12) 3.593 1.614 1.614 weight 1.000 ! spec=13C_...spin, no=1460, id=2243, vol=3.156792e+07
    or (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   13 and name   HZ) 3.961 1.961 1.961 weight 1.000 ! spec=13C_...spin, no=1461, id=2244, vol=3.990522e+06
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   13 and name   HZ)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   13 and name   HZ)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   21 and name HD12) 4.159 2.162 2.162 weight 1.000 ! spec=13C_...spin, no=1462, id=2245, vol=8.981809e+06
    or (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HD12) 4.996 3.120 3.120 weight 1.000 ! spec=13C_...spin, no=1463, id=2246, vol=5.943071e+06
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG22) 2.721 0.925 0.925 weight 1.000 ! spec=13C_...spin, no=1465, id=2248, vol=2.308062e+07
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG22)
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG22)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HG22) 2.787 0.971 0.971 weight 1.000 ! spec=13C_...spin, no=1467, id=2250, vol=5.383199e+07
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   72 and name  HH2) 2.433 0.740 0.740 weight 1.000 ! spec=13C_...spin, no=1468, id=2251, vol=5.491874e+07
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   72 and name  HH2)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   72 and name  HH2)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   92 and name  HE1) 3.338 1.393 1.393 weight 1.000 ! spec=13C_...spin, no=1469, id=2252, vol=5.576356e+06
    or (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   92 and name  HE2)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   92 and name  HE1)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   92 and name  HE2)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   92 and name  HE1)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   92 and name  HE2)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG22) 3.036 1.152 1.152 weight 1.000 ! spec=13C_...spin, no=1470, id=2253, vol=1.948607e+07
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=13C_...spin, no=1473, id=2255, vol=2.105005e+07
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 3.017 1.138 1.138 weight 1.000 ! spec=13C_...spin, no=1474, id=2256, vol=2.078807e+07
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 4.005 2.005 2.005 weight 1.000 ! spec=13C_...spin, no=1475, id=2257, vol=1.215910e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HB2) 2.185 0.597 0.597 weight 1.000 ! spec=13C_...spin, no=1478, id=2260, vol=6.092745e+07
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB2) 2.468 0.761 0.761 weight 1.000 ! spec=13C_...spin, no=1481, id=2261, vol=4.668980e+07
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   14 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=13C_...spin, no=1482, id=2262, vol=1.245575e+07
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 3.304 1.364 1.364 weight 1.000 ! spec=13C_...spin, no=1491, id=2268, vol=2.782672e+07
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   13 and name  HD1) 3.896 1.897 1.897 weight 1.000 ! spec=13C_...spin, no=1492, id=2269, vol=4.021398e+07
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HZ) 4.256 2.265 2.265 weight 1.000 ! spec=13C_...spin, no=1493, id=2270, vol=9.939313e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HE1) 5.282 3.488 3.488 weight 1.000 ! spec=13C_...spin, no=1494, id=2271, vol=3.996524e+06
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HE2)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HA) 4.673 2.729 2.729 weight 1.000 ! spec=13C_...spin, no=1497, id=2274, vol=1.831344e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   13 and name  HD1) 4.232 2.239 2.239 weight 1.000 ! spec=13C_...spin, no=1503, id=2277, vol=3.067295e+07
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   13 and name  HD2)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   13 and name  HD1)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HG1) 2.225 0.619 0.619 weight 1.000 ! spec=13C_...spin, no=1506, id=2280, vol=1.979536e+08
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.778 0.965 0.965 weight 1.000 ! spec=13C_...spin, no=1508, id=2282, vol=4.277713e+07
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 1.761 0.387 0.387 weight 1.000 ! spec=13C_...spin, no=1511, id=2284, vol=2.585505e+08
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HG1) 3.418 1.461 1.461 weight 1.000 ! spec=13C_...spin, no=1512, id=2285, vol=2.074828e+07
assign (segid "   A" and resid   16 and name  HG2) (segid "   A" and resid   16 and name  HG1) 1.905 0.453 0.453 weight 1.000 ! spec=13C_...spin, no=1514, id=2287, vol=2.090358e+08
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HG2) 2.627 0.863 0.863 weight 1.000 ! spec=13C_...spin, no=1515, id=2288, vol=8.855472e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HG2) 3.748 1.756 1.756 weight 1.000 ! spec=13C_...spin, no=1517, id=2290, vol=3.104370e+07
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG21) 2.000 0.500 0.500 weight 1.000 ! spec=13C_...spin, no=1525, id=2293, vol=1.850467e+08
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 1.780 0.396 0.396 weight 1.000 ! spec=13C_...spin, no=1535, id=2298, vol=2.229651e+08
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name   HA) 3.360 1.411 1.411 weight 1.000 ! spec=13C_...spin, no=1538, id=2301, vol=4.749913e+07
    or (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   13 and name   HA) 4.214 2.220 2.220 weight 1.000 ! spec=13C_...spin, no=1541, id=2302, vol=1.515461e+07
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB1) 3.940 1.940 1.940 weight 1.000 ! spec=13C_...spin, no=1542, id=2303, vol=1.240983e+07
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB2) 3.647 1.662 1.662 weight 1.000 ! spec=13C_...spin, no=1543, id=2304, vol=7.291115e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.829 1.000 1.000 weight 1.000 ! spec=13C_...spin, no=1544, id=2305, vol=3.587286e+07
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   17 and name  HB1) 4.941 3.052 3.052 weight 1.000 ! spec=13C_...spin, no=1545, id=2306, vol=1.224430e+07
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HB2) 1.347 0.227 4.653 weight 1.000 ! spec=13C_...spin, no=1551, id=2308, vol=1.122992e+09
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.590 0.839 0.839 weight 1.000 ! spec=13C_...spin, no=1560, id=2312, vol=7.163146e+07
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.851 1.016 1.016 weight 1.000 ! spec=13C_...spin, no=1561, id=2313, vol=4.667057e+07
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.821 0.995 0.995 weight 1.000 ! spec=13C_...spin, no=1568, id=2317, vol=8.196734e+07
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 1.592 0.317 4.408 weight 1.000 ! spec=13C_...spin, no=1569, id=2318, vol=9.133327e+08
assign (segid "   A" and resid  114 and name  HG1) (segid "   A" and resid  111 and name   HA) 3.743 1.751 1.751 weight 1.000 ! spec=13C_...spin, no=1575, id=2321, vol=1.874075e+07
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name  HB1) 3.798 1.804 1.804 weight 1.000 ! spec=13C_...spin, no=1581, id=2323, vol=5.833490e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name  HB2) 5.798 4.203 4.203 weight 1.000 ! spec=13C_...spin, no=1582, id=2324, vol=2.003523e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=13C_...spin, no=1585, id=2326, vol=1.844889e+07
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name   HA)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.661 0.885 0.885 weight 1.000 ! spec=13C_...spin, no=1594, id=2328, vol=5.136798e+07
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name   HB) 2.640 0.871 0.871 weight 1.000 ! spec=13C_...spin, no=1599, id=2331, vol=7.716186e+07
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG21) 2.425 0.735 0.735 weight 1.000 ! spec=13C_...spin, no=1610, id=2333, vol=4.819796e+07
    or (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.786 0.971 0.971 weight 1.000 ! spec=13C_...spin, no=1611, id=2334, vol=6.013292e+07
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.395 0.717 0.717 weight 1.000 ! spec=13C_...spin, no=1612, id=2335, vol=7.367150e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG1) 3.265 1.333 1.333 weight 1.000 ! spec=13C_...spin, no=1621, id=2339, vol=7.786657e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.893 1.046 1.046 weight 1.000 ! spec=13C_...spin, no=1622, id=2340, vol=7.968965e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name   HA) 3.659 1.673 1.673 weight 1.000 ! spec=13C_...spin, no=1626, id=2342, vol=2.351944e+07
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2) 3.112 1.210 1.210 weight 1.000 ! spec=13C_...spin, no=1627, id=2343, vol=3.262494e+07
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HG1) 5.926 4.390 4.390 weight 1.000 ! spec=13C_...spin, no=1629, id=2345, vol=5.424968e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HB1) 1.613 0.325 0.325 weight 1.000 ! spec=13C_...spin, no=1631, id=2346, vol=3.986457e+08
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.376 0.706 0.706 weight 1.000 ! spec=13C_...spin, no=1637, id=2348, vol=1.014901e+08
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HB1) 1.158 0.167 4.842 weight 1.000 ! spec=13C_...spin, no=1650, id=2357, vol=3.429539e+09
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1) 3.594 1.615 1.615 weight 1.000 ! spec=13C_...spin, no=1653, id=2359, vol=1.049148e+07
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name  HG1) 6.080 4.621 4.621 weight 1.000 ! spec=13C_...spin, no=1655, id=2361, vol=4.560719e+06
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name  HG1) 7.657 7.329 7.329 weight 1.000 ! spec=13C_...spin, no=1656, id=2362, vol=1.274790e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HG2) 4.075 2.076 2.076 weight 1.000 ! spec=13C_...spin, no=1667, id=2368, vol=7.487239e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 3.475 1.510 1.510 weight 1.000 ! spec=13C_...spin, no=1671, id=2370, vol=3.002418e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.954 1.091 1.091 weight 1.000 ! spec=13C_...spin, no=1672, id=2371, vol=3.290992e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HG1) 4.155 2.158 2.158 weight 1.000 ! spec=13C_...spin, no=1675, id=2373, vol=8.980372e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=13C_...spin, no=1680, id=2374, vol=4.222599e+07
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB3)
assign (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid   80 and name HD22) 2.862 1.024 1.024 weight 1.000 ! spec=13C_...spin, no=1730, id=2377, vol=1.639608e+07
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid  128 and name  HB1) 4.235 2.242 2.242 weight 1.000 ! spec=13C_...spin, no=1750, id=2380, vol=3.651220e+06
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid  128 and name  HB1)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid  128 and name  HB1)
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  100 and name   HG) 1.857 0.431 0.431 weight 1.000 ! spec=13C_...spin, no=1755, id=2382, vol=1.947757e+08
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  100 and name   HG)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  100 and name   HG)
assign (segid "   A" and resid   96 and name HD22) (segid "   A" and resid  103 and name  HZ3) 4.780 2.856 2.856 weight 1.000 ! spec=13C_...spin, no=1786, id=2383, vol=1.525421e+06
    or (segid "   A" and resid   96 and name HD21) (segid "   A" and resid  103 and name  HZ3)
    or (segid "   A" and resid   96 and name HD23) (segid "   A" and resid  103 and name  HZ3)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   22 and name   HA) 2.464 0.759 0.759 weight 1.000 ! spec=13C_...spin, no=1863, id=2387, vol=7.010088e+07
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   77 and name HG22) 3.383 1.431 1.431 weight 1.000 ! spec=13C_...spin, no=1866, id=2389, vol=1.227758e+07
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   77 and name HG12) 3.629 1.647 1.647 weight 1.000 ! spec=13C_...spin, no=1867, id=2390, vol=7.237150e+06
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   77 and name HG12)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   77 and name HG12)
assign (segid "   A" and resid  127 and name  HB1) (segid "   A" and resid  127 and name   HA) 3.242 1.314 1.314 weight 1.000 ! spec=13C_...spin, no=1869, id=2391, vol=1.637817e+07
assign (segid "   A" and resid  122 and name HD22) (segid "   A" and resid  122 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=13C_...spin, no=1917, id=2393, vol=3.494278e+07
    or (segid "   A" and resid  122 and name HD21) (segid "   A" and resid  122 and name   HA)
    or (segid "   A" and resid  122 and name HD23) (segid "   A" and resid  122 and name   HA)
assign (segid "   A" and resid  122 and name  HB1) (segid "   A" and resid  122 and name   HA) 2.697 0.909 0.909 weight 1.000 ! spec=13C_...spin, no=1918, id=2394, vol=3.407769e+07
assign (segid "   A" and resid  116 and name   HA) (segid "   A" and resid  116 and name  HB1) 4.102 2.103 2.103 weight 1.000 ! spec=13C_...spin, no=1921, id=2397, vol=3.454983e+06
assign (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   35 and name HG21) 1.871 0.438 0.438 weight 1.000 ! spec=13C_...spin, no=1926, id=2398, vol=1.036996e+08
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   35 and name HG23)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   35 and name HG21)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   35 and name HG23)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   35 and name HG21)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   35 and name HG23)
assign (segid "   A" and resid   96 and name   HG) (segid "   A" and resid   93 and name HD22) 3.266 1.333 1.333 weight 1.000 ! spec=13C_...spin, no=1935, id=2399, vol=3.248598e+07
    or (segid "   A" and resid   96 and name   HG) (segid "   A" and resid   93 and name HD21)
    or (segid "   A" and resid   96 and name   HG) (segid "   A" and resid   93 and name HD23)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   25 and name   HA) 3.565 1.588 1.588 weight 1.000 ! spec=13C_...spin, no=1944, id=2400, vol=1.371448e+07
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   68 and name   HG) 3.324 1.381 1.381 weight 1.000 ! spec=13C_...spin, no=1947, id=2401, vol=1.768935e+07
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   68 and name   HG)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   68 and name   HG)
assign (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid  117 and name  HB2) 4.234 2.241 2.241 weight 1.000 ! spec=13C_...spin, no=1955, id=2403, vol=7.670180e+06
    or (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid  117 and name  HB3)
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid  117 and name  HB2)
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid  121 and name HG12) 2.162 0.584 0.584 weight 1.000 ! spec=13C_...spin, no=1974, id=2406, vol=6.813658e+07
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  123 and name  HB2) (segid "   A" and resid   70 and name   HA) 4.136 2.139 2.139 weight 1.000 ! spec=13C_...spin, no=1977, id=2407, vol=2.359096e+06
assign (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD22) 1.632 0.333 4.368 weight 1.000 ! spec=13C_...spin, no=1982, id=2408, vol=2.786274e+08
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD21)
    or (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  120 and name HD23)
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid   96 and name   HA) 3.703 1.714 1.714 weight 1.000 ! spec=13C_...spin, no=1995, id=2410, vol=6.351988e+06
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   37 and name HG12) 3.181 1.264 1.264 weight 1.000 ! spec=13C_...spin, no=1996, id=2411, vol=1.591876e+07
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   37 and name HG13)
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   90 and name   HA) 4.465 2.492 2.492 weight 1.000 ! spec=13C_...spin, no=1997, id=2412, vol=2.095176e+06
assign (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   90 and name   HA) 5.652 3.993 3.993 weight 1.000 ! spec=13C_...spin, no=1999, id=2413, vol=3.310166e+06
assign (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid   70 and name HD22) 4.654 2.707 2.707 weight 1.000 ! spec=13C_...spin, no=2003, id=2415, vol=4.095029e+06
    or (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid  123 and name  HB1) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   49 and name   HB) (segid "   A" and resid   72 and name  HZ3) 3.859 1.861 1.861 weight 1.000 ! spec=13C_...spin, no=2008, id=2416, vol=7.702484e+06
assign (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   37 and name HG22) 4.343 2.357 2.357 weight 1.000 ! spec=13C_...spin, no=2010, id=2417, vol=2.717252e+06
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   35 and name   HB) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   37 and name   HB) 4.141 2.143 2.143 weight 1.000 ! spec=13C_...spin, no=2015, id=2418, vol=6.405162e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   49 and name   HB) 3.363 1.414 1.414 weight 1.000 ! spec=13C_...spin, no=2016, id=2419, vol=7.414198e+06
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   49 and name   HB)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   49 and name   HB)
assign (segid "   A" and resid   69 and name  HB2) (segid "   A" and resid  122 and name HD22) 1.653 0.342 0.342 weight 1.000 ! spec=13C_...spin, no=2037, id=2420, vol=7.187932e+07
    or (segid "   A" and resid   69 and name  HB2) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   69 and name  HB2) (segid "   A" and resid  122 and name HD23)
    or (segid "   A" and resid   69 and name  HB1) (segid "   A" and resid  122 and name HD22)
    or (segid "   A" and resid   69 and name  HB1) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   69 and name  HB1) (segid "   A" and resid  122 and name HD23)
    or (segid "   A" and resid   69 and name  HB3) (segid "   A" and resid  122 and name HD22)
    or (segid "   A" and resid   69 and name  HB3) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   69 and name  HB3) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid  104 and name  HG2) (segid "   A" and resid  109 and name   HB) 4.382 2.400 2.400 weight 1.000 ! spec=13C_...spin, no=2039, id=2421, vol=2.976499e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   17 and name   HA) 4.748 2.818 2.818 weight 1.000 ! spec=13C_...spin, no=2049, id=2423, vol=3.732660e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   81 and name  HG1) 4.234 2.241 2.241 weight 1.000 ! spec=13C_...spin, no=2076, id=2424, vol=6.354426e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   81 and name  HG2) 3.999 1.999 1.999 weight 1.000 ! spec=13C_...spin, no=2078, id=2425, vol=7.403453e+06
assign (segid "   A" and resid   93 and name   HG) (segid "   A" and resid   89 and name   HA) 4.399 2.419 2.419 weight 1.000 ! spec=13C_...spin, no=2084, id=2426, vol=3.964651e+06
assign (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  121 and name HG22) 2.318 0.672 0.672 weight 1.000 ! spec=13C_...spin, no=2104, id=2429, vol=3.056462e+07
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  123 and name   HG) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid   98 and name   HA) 1.717 0.368 4.283 weight 1.000 ! spec=13C_...spin, no=2110, id=2430, vol=5.569267e+08
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid   98 and name   HA)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid   98 and name   HA)
assign (segid "   A" and resid   28 and name HD22) (segid "   A" and resid   25 and name   HA) 3.364 1.414 1.414 weight 1.000 ! spec=13C_...spin, no=2118, id=2431, vol=2.422522e+07
    or (segid "   A" and resid   28 and name HD21) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   28 and name HD23) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid  120 and name   HG) (segid "   A" and resid  122 and name   HG) 1.883 0.443 0.443 weight 1.000 ! spec=13C_...spin, no=2122, id=2432, vol=1.090939e+08
assign (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD12) 4.046 2.047 2.047 weight 1.000 ! spec=13C_...spin, no=2140, id=2434, vol=4.766295e+06
    or (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD11)
    or (segid "   A" and resid  111 and name   HZ) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid  103 and name  HZ2) 6.448 5.197 5.197 weight 1.000 ! spec=13C_...spin, no=2144, id=2435, vol=1.682341e+06
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid  103 and name  HE3) 4.938 3.048 3.048 weight 1.000 ! spec=13C_...spin, no=2145, id=2436, vol=5.429464e+06
assign (segid "   A" and resid   99 and name  HB2) (segid "   A" and resid  103 and name  HH2) 6.444 5.191 5.191 weight 1.000 ! spec=13C_...spin, no=2146, id=2437, vol=9.726060e+05
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    9 and name   HA) 5.209 3.392 3.392 weight 1.000 ! spec=13C_...spin, no=2171, id=2439, vol=2.449524e+06
assign (segid "   A" and resid    9 and name HG21) (segid "   A" and resid   81 and name  HG2) 3.040 1.156 1.156 weight 1.000 ! spec=13C_...spin, no=2190, id=2440, vol=1.910282e+07
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid   81 and name  HG2)
    or (segid "   A" and resid    9 and name HG23) (segid "   A" and resid   81 and name  HG2)
assign (segid "   A" and resid    9 and name HG21) (segid "   A" and resid   81 and name  HG1) 3.957 1.957 1.957 weight 1.000 ! spec=13C_...spin, no=2192, id=2441, vol=4.435004e+06
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid   81 and name  HG1)
    or (segid "   A" and resid    9 and name HG23) (segid "   A" and resid   81 and name  HG1)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name  HB2) 3.918 1.919 1.919 weight 1.000 ! spec=13C_...spin, no=2198, id=2442, vol=8.335859e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HB1) 4.180 2.184 2.184 weight 1.000 ! spec=13C_...spin, no=2209, id=2445, vol=8.044131e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HB1)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HB1)
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid   99 and name  HB1) 4.301 2.312 2.312 weight 1.000 ! spec=13C_...spin, no=2219, id=2446, vol=3.652805e+06
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  122 and name HD22) 3.531 1.559 1.559 weight 1.000 ! spec=13C_...spin, no=2222, id=2447, vol=1.162963e+07
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  121 and name HG22) 3.409 1.452 1.452 weight 1.000 ! spec=13C_...spin, no=2224, id=2448, vol=1.201843e+07
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   46 and name   HA) 4.502 2.533 2.533 weight 1.000 ! spec=13C_...spin, no=2233, id=2451, vol=6.972677e+06
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   52 and name   HB) (segid "   A" and resid   34 and name  HB1) 3.364 1.415 1.415 weight 1.000 ! spec=13C_...spin, no=2241, id=2452, vol=9.811716e+06
assign (segid "   A" and resid   52 and name HG22) (segid "   A" and resid   50 and name   HA) 4.560 2.599 2.599 weight 1.000 ! spec=13C_...spin, no=2248, id=2453, vol=7.111718e+06
    or (segid "   A" and resid   52 and name HG21) (segid "   A" and resid   50 and name   HA)
    or (segid "   A" and resid   52 and name HG23) (segid "   A" and resid   50 and name   HA)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   52 and name HG12) 3.613 1.632 1.632 weight 1.000 ! spec=13C_...spin, no=2250, id=2454, vol=1.471810e+07
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   52 and name HG22) (segid "   A" and resid   50 and name  HG1) 2.778 0.965 0.965 weight 1.000 ! spec=13C_...spin, no=2252, id=2455, vol=4.217193e+07
    or (segid "   A" and resid   52 and name HG21) (segid "   A" and resid   50 and name  HG1)
    or (segid "   A" and resid   52 and name HG23) (segid "   A" and resid   50 and name  HG1)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   34 and name  HE1) 7.801 7.607 7.607 weight 1.000 ! spec=13C_...spin, no=2257, id=2457, vol=8.834174e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name   HA) 4.542 2.579 2.579 weight 1.000 ! spec=13C_...spin, no=2281, id=2459, vol=5.884693e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name   HA)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HE1) 3.259 1.328 1.328 weight 1.000 ! spec=13C_...spin, no=2288, id=2460, vol=5.966259e+06
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid  111 and name   HA) (segid "   A" and resid  114 and name   HA) 3.660 1.674 1.674 weight 1.000 ! spec=13C_...spin, no=2314, id=2461, vol=1.077837e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HD2) 4.876 2.971 2.971 weight 1.000 ! spec=13C_...spin, no=2330, id=2465, vol=7.056786e+06
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HD2) 3.025 1.143 1.143 weight 1.000 ! spec=13C_...spin, no=2332, id=2466, vol=4.183192e+07
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   51 and name   HA) 2.329 0.678 0.678 weight 1.000 ! spec=13C_...spin, no=2338, id=2467, vol=9.399170e+07
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   51 and name HG11) 4.481 2.510 2.510 weight 1.000 ! spec=13C_...spin, no=2342, id=2469, vol=9.125401e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   51 and name HG12) 3.542 1.568 1.568 weight 1.000 ! spec=13C_...spin, no=2344, id=2471, vol=1.567570e+07
assign (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   35 and name   HA) 4.309 2.321 2.321 weight 1.000 ! spec=13C_...spin, no=2345, id=2472, vol=7.113242e+06
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   35 and name   HA)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   66 and name  HB2) 6.049 4.573 4.573 weight 1.000 ! spec=13C_...spin, no=2348, id=2474, vol=3.241694e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB1) 3.257 1.326 1.326 weight 1.000 ! spec=13C_...spin, no=2363, id=2475, vol=1.375060e+07
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HB2) 2.817 0.992 0.992 weight 1.000 ! spec=13C_...spin, no=2369, id=2477, vol=2.135308e+07
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HB2)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HD1) 3.753 1.761 1.761 weight 1.000 ! spec=13C_...spin, no=2372, id=2478, vol=1.664642e+07
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   40 and name  HD2)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HD1)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   40 and name  HD2)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HD1)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   40 and name  HD2)
assign (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   44 and name  HA2) 5.210 3.393 3.393 weight 1.000 ! spec=13C_...spin, no=2379, id=2479, vol=7.145802e+06
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   44 and name  HA2)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   52 and name HG22) 3.901 1.903 1.903 weight 1.000 ! spec=13C_...spin, no=2381, id=2480, vol=8.788711e+06
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   40 and name  HE1) 2.966 1.100 3.034 weight 1.000 ! spec=13C_...spin, no=2398, id=2483, vol=1.264920e+07
    or (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid   44 and name  HA1) (segid "   A" and resid   40 and name  HE1) 5.305 3.518 3.518 weight 1.000 ! spec=13C_...spin, no=2400, id=2485, vol=8.435666e+06
    or (segid "   A" and resid   44 and name  HA1) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name   HZ) 4.093 2.094 2.094 weight 1.000 ! spec=13C_...spin, no=2401, id=2486, vol=5.778123e+06
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name   HZ)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name   HZ)
assign (segid "   A" and resid  100 and name   HG) (segid "   A" and resid   97 and name   HA) 4.715 2.778 2.778 weight 1.000 ! spec=13C_...spin, no=2405, id=2487, vol=6.217858e+06
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   26 and name   HA) 4.455 2.480 2.480 weight 1.000 ! spec=13C_...spin, no=2415, id=2490, vol=3.161692e+06
assign (segid "   A" and resid   29 and name   HG) (segid "   A" and resid   25 and name   HA) 3.714 1.724 1.724 weight 1.000 ! spec=13C_...spin, no=2421, id=2491, vol=7.918293e+06
assign (segid "   A" and resid  111 and name  HB1) (segid "   A" and resid   29 and name HD22) 2.974 1.105 1.105 weight 1.000 ! spec=13C_...spin, no=2423, id=2492, vol=1.422735e+07
    or (segid "   A" and resid  111 and name  HB1) (segid "   A" and resid   29 and name HD21)
    or (segid "   A" and resid  111 and name  HB1) (segid "   A" and resid   29 and name HD23)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.262 0.639 0.639 weight 1.000 ! spec=13C_...spin, no=2444, id=2493, vol=9.657766e+07
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HB3)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   19 and name  HG2) 3.765 1.772 1.772 weight 1.000 ! spec=13C_...spin, no=2449, id=2494, vol=6.513884e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   19 and name  HG1) 3.830 1.834 1.834 weight 1.000 ! spec=13C_...spin, no=2450, id=2495, vol=7.754007e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   32 and name  HG1) 5.254 3.451 3.451 weight 1.000 ! spec=13C_...spin, no=2452, id=2496, vol=5.247150e+06
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD22) 3.618 1.636 1.636 weight 1.000 ! spec=13C_...spin, no=2468, id=2497, vol=1.727081e+07
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid   65 and name   HA) 3.267 1.334 1.334 weight 1.000 ! spec=13C_...spin, no=2469, id=2498, vol=2.230747e+07
assign (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   70 and name HD22) 2.096 0.549 3.904 weight 1.000 ! spec=13C_...spin, no=2477, id=2500, vol=7.285265e+07
    or (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   25 and name HD12) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   70 and name HD22)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   25 and name HD11) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   70 and name HD22)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   25 and name HD13) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid  115 and name   HB) (segid "   A" and resid   62 and name  HB1) 5.117 3.272 3.272 weight 1.000 ! spec=13C_...spin, no=2480, id=2501, vol=4.485856e+06
assign (segid "   A" and resid  115 and name   HB) (segid "   A" and resid   62 and name  HB2) 3.156 1.245 1.245 weight 1.000 ! spec=13C_...spin, no=2482, id=2502, vol=1.265564e+07
assign (segid "   A" and resid   78 and name  HG1) (segid "   A" and resid   75 and name   HA) 4.779 2.855 2.855 weight 1.000 ! spec=13C_...spin, no=2490, id=2503, vol=1.221376e+07
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   34 and name  HB2) 5.340 3.564 3.564 weight 1.000 ! spec=13C_...spin, no=2505, id=2504, vol=4.804672e+06
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   53 and name  HB3) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HB2) 3.222 1.298 1.298 weight 1.000 ! spec=13C_...spin, no=2520, id=2505, vol=1.253662e+07
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HB1)
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HB3)
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   94 and name  HB2) 2.323 0.675 0.675 weight 1.000 ! spec=13C_...spin, no=2527, id=2507, vol=9.236891e+07
    or (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   94 and name  HB1)
    or (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   94 and name  HB3)
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD12) 4.128 2.130 2.130 weight 1.000 ! spec=13C_...spin, no=2540, id=2508, vol=3.071356e+06
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   72 and name   HA) (segid "   A" and resid  126 and name  HB2) 3.326 1.383 1.383 weight 1.000 ! spec=13C_...spin, no=2546, id=2509, vol=1.145720e+07
assign (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   52 and name HG12) 3.702 1.713 1.713 weight 1.000 ! spec=13C_...spin, no=2547, id=2510, vol=8.479864e+06
    or (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   54 and name  HD1) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   77 and name HD12) 3.501 1.532 1.532 weight 1.000 ! spec=15N_...last, no=2, id=447, vol=3.090533e+06
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   77 and name HD13)
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name HG21) 3.982 1.982 1.982 weight 1.000 ! spec=15N_...last, no=3, id=448, vol=6.126317e+06
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HB1) 4.091 2.092 2.092 weight 1.000 ! spec=15N_...last, no=4, id=449, vol=5.553966e+06
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HB2) 3.192 1.274 1.274 weight 1.000 ! spec=15N_...last, no=5, id=450, vol=4.452464e+06
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name   HB) 3.108 1.207 1.207 weight 1.000 ! spec=15N_...last, no=6, id=451, vol=6.913837e+06
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HE3) 3.008 1.131 1.131 weight 1.000 ! spec=15N_...last, no=7, id=452, vol=9.958705e+06
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=15N_...last, no=8, id=453, vol=2.262583e+07
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name   HA) 3.332 1.388 1.388 weight 1.000 ! spec=15N_...last, no=9, id=454, vol=4.237603e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid   72 and name  HB2) 4.843 2.932 2.932 weight 1.000 ! spec=15N_...last, no=10, id=455, vol=1.855329e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid   72 and name  HH2) 3.986 1.986 1.986 weight 1.000 ! spec=15N_...last, no=11, id=456, vol=6.921308e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  128 and name  HD1) 4.258 2.266 2.266 weight 1.000 ! spec=15N_...last, no=14, id=458, vol=3.183164e+06
    or (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name  HB2) 3.592 1.613 1.613 weight 1.000 ! spec=15N_...last, no=18, id=459, vol=5.043118e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name  HB1) 2.905 1.055 1.055 weight 1.000 ! spec=15N_...last, no=20, id=460, vol=8.208544e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  128 and name  HE1) 4.356 2.372 2.372 weight 1.000 ! spec=15N_...last, no=21, id=461, vol=3.026138e+06
    or (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  128 and name  HE2)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HD1) 3.880 1.881 1.881 weight 1.000 ! spec=15N_...last, no=22, id=462, vol=5.166024e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name   HN) 2.592 0.840 0.840 weight 1.000 ! spec=15N_...last, no=23, id=463, vol=1.631089e+07
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name   HA) 2.962 1.096 1.096 weight 1.000 ! spec=15N_...last, no=25, id=464, vol=8.285996e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB2) 2.729 0.931 0.931 weight 1.000 ! spec=15N_...last, no=26, id=465, vol=8.438981e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB1) 3.546 1.572 1.572 weight 1.000 ! spec=15N_...last, no=27, id=466, vol=1.661465e+07
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB2) 2.521 0.794 0.794 weight 1.000 ! spec=15N_...last, no=28, id=467, vol=1.696601e+07
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB3)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HB) 2.607 0.850 0.850 weight 1.000 ! spec=15N_...last, no=29, id=468, vol=1.632452e+07
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HA) 2.335 0.681 0.681 weight 1.000 ! spec=15N_...last, no=30, id=469, vol=2.710470e+07
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB1) 3.838 1.842 1.842 weight 1.000 ! spec=15N_...last, no=33, id=470, vol=5.570136e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.641 1.657 1.657 weight 1.000 ! spec=15N_...last, no=34, id=471, vol=4.848132e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG21) 3.723 1.733 1.733 weight 1.000 ! spec=15N_...last, no=35, id=472, vol=8.651563e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG23)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name   HA) 2.979 1.110 1.110 weight 1.000 ! spec=15N_...last, no=38, id=473, vol=6.035330e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HG1) 3.550 1.576 1.576 weight 1.000 ! spec=15N_...last, no=39, id=474, vol=6.255566e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   37 and name   HA) 4.177 2.181 2.181 weight 1.000 ! spec=15N_...last, no=41, id=476, vol=3.503292e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name   HN) 3.078 1.184 1.184 weight 1.000 ! spec=15N_...last, no=43, id=477, vol=7.162286e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name   HA) 2.276 0.648 0.648 weight 1.000 ! spec=15N_...last, no=44, id=478, vol=2.688150e+07
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG21) 2.533 0.802 0.802 weight 1.000 ! spec=15N_...last, no=46, id=479, vol=1.367580e+07
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG23)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   48 and name   HA) 4.735 2.803 2.803 weight 1.000 ! spec=15N_...last, no=48, id=480, vol=1.397221e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   48 and name  HB1) 4.210 2.215 2.215 weight 1.000 ! spec=15N_...last, no=51, id=481, vol=4.069300e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB2) 2.423 0.734 0.734 weight 1.000 ! spec=15N_...last, no=52, id=482, vol=1.377441e+07
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name   HG) 2.700 0.911 0.911 weight 1.000 ! spec=15N_...last, no=53, id=483, vol=1.052166e+07
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name  HB2) 3.205 1.284 1.284 weight 1.000 ! spec=15N_...last, no=54, id=484, vol=1.331326e+07
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD22) 4.253 2.261 2.261 weight 1.000 ! spec=15N_...last, no=57, id=486, vol=2.937030e+06
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   50 and name   HA) 3.254 1.324 1.324 weight 1.000 ! spec=15N_...last, no=59, id=487, vol=5.578278e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name   HA) 2.189 0.599 0.599 weight 1.000 ! spec=15N_...last, no=60, id=488, vol=3.311293e+07
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=15N_...last, no=61, id=489, vol=7.897650e+06
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  115 and name   HB) 3.102 1.203 1.203 weight 1.000 ! spec=15N_...last, no=63, id=490, vol=1.430015e+07
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  110 and name   HN) 3.764 1.771 1.771 weight 1.000 ! spec=15N_...last, no=65, id=492, vol=3.016334e+06
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  115 and name   HA) 3.168 1.255 1.255 weight 1.000 ! spec=15N_...last, no=67, id=493, vol=5.734897e+06
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  110 and name  HB1) 3.754 1.761 1.761 weight 1.000 ! spec=15N_...last, no=72, id=495, vol=3.346185e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG2) 4.655 2.709 2.709 weight 1.000 ! spec=15N_...last, no=73, id=496, vol=3.924584e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 3.386 1.433 1.433 weight 1.000 ! spec=15N_...last, no=74, id=497, vol=6.126368e+06
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  127 and name  HB2) 3.273 1.339 1.339 weight 1.000 ! spec=15N_...last, no=76, id=499, vol=6.386368e+06
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  130 and name   HN) 4.347 2.362 2.362 weight 1.000 ! spec=15N_...last, no=83, id=501, vol=3.332122e+06
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  128 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=15N_...last, no=85, id=502, vol=1.007725e+07
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  129 and name  HB2) 2.996 1.122 1.122 weight 1.000 ! spec=15N_...last, no=87, id=503, vol=7.413727e+06
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  129 and name  HB1) 2.747 0.944 0.944 weight 1.000 ! spec=15N_...last, no=89, id=504, vol=2.259861e+07
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HB2) 2.642 0.873 0.873 weight 1.000 ! spec=15N_...last, no=94, id=505, vol=1.506279e+07
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HB1) 2.635 0.868 0.868 weight 1.000 ! spec=15N_...last, no=95, id=506, vol=1.836793e+07
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   80 and name HD22) 3.528 1.556 1.556 weight 1.000 ! spec=15N_...last, no=98, id=507, vol=2.973943e+06
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   85 and name  HA2) 3.860 1.862 1.862 weight 1.000 ! spec=15N_...last, no=100, id=508, vol=3.369233e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=15N_...last, no=102, id=509, vol=2.643315e+07
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HD1) 4.791 2.869 2.869 weight 1.000 ! spec=15N_...last, no=103, id=510, vol=4.147806e+06
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HD2)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   90 and name   HN) 2.763 0.954 0.954 weight 1.000 ! spec=15N_...last, no=105, id=511, vol=1.053705e+07
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=15N_...last, no=106, id=512, vol=8.866348e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 3.332 1.388 1.388 weight 1.000 ! spec=15N_...last, no=109, id=515, vol=5.127408e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.918 1.065 1.065 weight 1.000 ! spec=15N_...last, no=110, id=516, vol=1.168082e+07
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HD1) 3.725 1.734 1.734 weight 1.000 ! spec=15N_...last, no=111, id=517, vol=8.536197e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.724 0.927 0.927 weight 1.000 ! spec=15N_...last, no=112, id=518, vol=1.534981e+07
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.137 1.230 1.230 weight 1.000 ! spec=15N_...last, no=113, id=519, vol=9.935945e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 2.696 0.909 0.909 weight 1.000 ! spec=15N_...last, no=114, id=520, vol=1.427722e+07
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=15N_...last, no=115, id=521, vol=8.044751e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name   HN) 3.046 1.159 1.159 weight 1.000 ! spec=15N_...last, no=116, id=522, vol=1.417170e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 3.604 1.623 1.623 weight 1.000 ! spec=15N_...last, no=119, id=524, vol=3.853761e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HB) 2.544 0.809 0.809 weight 1.000 ! spec=15N_...last, no=120, id=525, vol=1.815659e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name   HA) 4.426 2.448 2.448 weight 1.000 ! spec=15N_...last, no=134, id=528, vol=1.684697e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HB) 2.573 0.827 0.827 weight 1.000 ! spec=15N_...last, no=135, id=529, vol=1.594085e+07
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   98 and name   HN) 3.678 1.691 1.691 weight 1.000 ! spec=15N_...last, no=142, id=532, vol=4.531044e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  101 and name   HN) 2.857 1.020 1.020 weight 1.000 ! spec=15N_...last, no=143, id=533, vol=9.335508e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.523 0.796 0.796 weight 1.000 ! spec=15N_...last, no=148, id=535, vol=1.668980e+07
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB3)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name   HG) 3.811 1.816 1.816 weight 1.000 ! spec=15N_...last, no=150, id=537, vol=7.755250e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HD12) 4.115 2.117 2.117 weight 1.000 ! spec=15N_...last, no=151, id=538, vol=4.641136e+06
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HD11)
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HD13)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=15N_...last, no=153, id=539, vol=5.040162e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=15N_...last, no=154, id=540, vol=1.575217e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.766 0.957 0.957 weight 1.000 ! spec=15N_...last, no=155, id=541, vol=1.425038e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name   HA) 3.317 1.375 1.375 weight 1.000 ! spec=15N_...last, no=156, id=542, vol=6.467452e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=15N_...last, no=158, id=543, vol=1.361328e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   13 and name   HN) 3.864 1.867 1.867 weight 1.000 ! spec=15N_...last, no=159, id=544, vol=3.609993e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.031 0.516 0.516 weight 1.000 ! spec=15N_...last, no=166, id=548, vol=4.028756e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 2.831 1.002 1.002 weight 1.000 ! spec=15N_...last, no=167, id=549, vol=9.262831e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.723 0.927 0.927 weight 1.000 ! spec=15N_...last, no=168, id=550, vol=1.280734e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.767 0.957 0.957 weight 1.000 ! spec=15N_...last, no=169, id=551, vol=1.252282e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 3.008 1.131 1.131 weight 1.000 ! spec=15N_...last, no=174, id=552, vol=8.495520e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HN) 2.839 1.008 1.008 weight 1.000 ! spec=15N_...last, no=176, id=554, vol=8.974084e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HD1) 4.460 2.487 2.487 weight 1.000 ! spec=15N_...last, no=177, id=555, vol=3.372508e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.715 0.921 0.921 weight 1.000 ! spec=15N_...last, no=178, id=556, vol=1.496470e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.567 0.824 0.824 weight 1.000 ! spec=15N_...last, no=180, id=557, vol=1.747932e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.944 1.083 1.083 weight 1.000 ! spec=15N_...last, no=181, id=558, vol=1.000541e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.927 1.071 1.071 weight 1.000 ! spec=15N_...last, no=184, id=559, vol=6.882934e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HN) 3.971 1.971 1.971 weight 1.000 ! spec=15N_...last, no=186, id=560, vol=2.790543e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 2.955 1.091 1.091 weight 1.000 ! spec=15N_...last, no=188, id=561, vol=6.652592e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG21) 2.755 0.948 0.948 weight 1.000 ! spec=15N_...last, no=190, id=563, vol=1.029066e+07
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 4.184 2.188 2.188 weight 1.000 ! spec=15N_...last, no=194, id=564, vol=4.511406e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.035 1.151 1.151 weight 1.000 ! spec=15N_...last, no=195, id=565, vol=7.119058e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.914 1.062 1.062 weight 1.000 ! spec=15N_...last, no=196, id=566, vol=8.813002e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HB) 2.908 1.057 1.057 weight 1.000 ! spec=15N_...last, no=197, id=567, vol=9.873157e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.925 1.069 1.069 weight 1.000 ! spec=15N_...last, no=203, id=570, vol=9.144585e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.462 0.758 0.758 weight 1.000 ! spec=15N_...last, no=204, id=571, vol=1.712333e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name   HA) 3.620 1.638 1.638 weight 1.000 ! spec=15N_...last, no=211, id=573, vol=3.627169e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.437 0.743 0.743 weight 1.000 ! spec=15N_...last, no=215, id=575, vol=1.478544e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   17 and name   HN) 4.345 2.360 2.360 weight 1.000 ! spec=15N_...last, no=216, id=576, vol=3.713340e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HD1) 3.716 1.726 1.726 weight 1.000 ! spec=15N_...last, no=217, id=577, vol=7.530380e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 3.119 1.216 1.216 weight 1.000 ! spec=15N_...last, no=218, id=578, vol=1.105476e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=15N_...last, no=219, id=579, vol=7.929228e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.629 0.864 0.864 weight 1.000 ! spec=15N_...last, no=222, id=580, vol=9.093017e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.718 1.728 1.728 weight 1.000 ! spec=15N_...last, no=223, id=581, vol=1.024888e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.608 0.850 0.850 weight 1.000 ! spec=15N_...last, no=224, id=582, vol=1.037438e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB2) 3.772 1.778 1.778 weight 1.000 ! spec=15N_...last, no=225, id=583, vol=9.269429e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.244 0.629 0.629 weight 1.000 ! spec=15N_...last, no=228, id=584, vol=2.196246e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.822 0.996 0.996 weight 1.000 ! spec=15N_...last, no=234, id=585, vol=1.015921e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.492 1.524 1.524 weight 1.000 ! spec=15N_...last, no=235, id=586, vol=7.198512e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.512 0.789 0.789 weight 1.000 ! spec=15N_...last, no=236, id=587, vol=1.725799e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   14 and name   HA) 3.046 1.159 1.159 weight 1.000 ! spec=15N_...last, no=237, id=588, vol=6.083839e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 3.617 1.636 1.636 weight 1.000 ! spec=15N_...last, no=238, id=589, vol=3.953666e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD1) 5.353 3.582 3.582 weight 1.000 ! spec=15N_...last, no=239, id=590, vol=1.855156e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.468 0.761 0.761 weight 1.000 ! spec=15N_...last, no=240, id=591, vol=1.377292e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name   HA) 3.099 1.201 1.201 weight 1.000 ! spec=15N_...last, no=247, id=595, vol=7.637135e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB2) 3.932 1.932 1.932 weight 1.000 ! spec=15N_...last, no=264, id=601, vol=3.111966e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HB) 2.379 0.707 0.707 weight 1.000 ! spec=15N_...last, no=269, id=603, vol=3.172500e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG11) 2.283 0.652 0.652 weight 1.000 ! spec=15N_...last, no=270, id=604, vol=2.030253e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.082 0.542 0.542 weight 1.000 ! spec=15N_...last, no=278, id=607, vol=3.451726e+07
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN) 2.486 0.773 0.773 weight 1.000 ! spec=15N_...last, no=279, id=608, vol=1.597568e+07
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name   HN) 2.566 0.823 0.823 weight 1.000 ! spec=15N_...last, no=281, id=610, vol=1.730116e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name   HA) 2.836 1.006 1.006 weight 1.000 ! spec=15N_...last, no=282, id=611, vol=1.040456e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 3.300 1.361 1.361 weight 1.000 ! spec=15N_...last, no=283, id=612, vol=6.691431e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HB) 2.437 0.743 0.743 weight 1.000 ! spec=15N_...last, no=284, id=613, vol=1.694315e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HN) 2.658 0.883 0.883 weight 1.000 ! spec=15N_...last, no=289, id=615, vol=1.423107e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 3.467 1.502 1.502 weight 1.000 ! spec=15N_...last, no=290, id=616, vol=3.697346e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name   HA) 4.237 2.244 2.244 weight 1.000 ! spec=15N_...last, no=291, id=617, vol=1.657719e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.443 0.746 0.746 weight 1.000 ! spec=15N_...last, no=293, id=618, vol=1.771362e+07
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HB) 2.391 0.715 0.715 weight 1.000 ! spec=15N_...last, no=301, id=620, vol=2.064709e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.371 0.703 0.703 weight 1.000 ! spec=15N_...last, no=302, id=621, vol=1.794252e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name HG22) 3.091 1.194 1.194 weight 1.000 ! spec=15N_...last, no=305, id=622, vol=2.335660e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name HG21)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name HG23)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   31 and name   HN) 4.195 2.200 2.200 weight 1.000 ! spec=15N_...last, no=307, id=623, vol=1.926735e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.306 1.366 1.366 weight 1.000 ! spec=15N_...last, no=310, id=625, vol=5.274774e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name   HA) 3.747 1.755 1.755 weight 1.000 ! spec=15N_...last, no=311, id=626, vol=3.298653e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.448 0.749 0.749 weight 1.000 ! spec=15N_...last, no=314, id=628, vol=2.014878e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB3)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG22) 2.644 0.874 0.874 weight 1.000 ! spec=15N_...last, no=315, id=629, vol=2.007832e+07
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HN) 2.519 0.793 0.793 weight 1.000 ! spec=15N_...last, no=316, id=630, vol=1.788612e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=15N_...last, no=318, id=632, vol=1.832206e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HA) 3.236 1.309 1.309 weight 1.000 ! spec=15N_...last, no=319, id=633, vol=5.449320e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.576 0.830 0.830 weight 1.000 ! spec=15N_...last, no=320, id=634, vol=1.438505e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.678 0.897 0.897 weight 1.000 ! spec=15N_...last, no=322, id=635, vol=1.201006e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD12) 3.844 1.847 1.847 weight 1.000 ! spec=15N_...last, no=323, id=636, vol=8.261414e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD22) 3.708 1.719 1.719 weight 1.000 ! spec=15N_...last, no=324, id=637, vol=8.502343e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD21)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HD23)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   31 and name   HN) 3.930 1.930 1.930 weight 1.000 ! spec=15N_...last, no=326, id=638, vol=2.477762e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.474 0.765 0.765 weight 1.000 ! spec=15N_...last, no=328, id=640, vol=1.701602e+07
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HN) 2.863 1.025 1.025 weight 1.000 ! spec=15N_...last, no=329, id=641, vol=1.411816e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 3.352 1.405 1.405 weight 1.000 ! spec=15N_...last, no=330, id=642, vol=6.172965e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   26 and name   HA) 3.256 1.325 1.325 weight 1.000 ! spec=15N_...last, no=331, id=643, vol=4.939116e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=15N_...last, no=333, id=644, vol=3.718442e+07
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HN) 2.495 0.778 0.778 weight 1.000 ! spec=15N_...last, no=335, id=645, vol=1.929154e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HN) 3.654 1.669 1.669 weight 1.000 ! spec=15N_...last, no=340, id=647, vol=4.330003e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.226 0.619 0.619 weight 1.000 ! spec=15N_...last, no=341, id=648, vol=4.319544e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA) 3.127 1.222 1.222 weight 1.000 ! spec=15N_...last, no=342, id=649, vol=8.260516e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 3.897 1.898 1.898 weight 1.000 ! spec=15N_...last, no=343, id=650, vol=8.007370e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.395 1.441 1.441 weight 1.000 ! spec=15N_...last, no=344, id=651, vol=7.329764e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD12) 2.906 1.056 1.056 weight 1.000 ! spec=15N_...last, no=347, id=652, vol=5.285796e+06
    or (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=15N_...last, no=348, id=653, vol=1.832606e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 4.654 2.708 2.708 weight 1.000 ! spec=15N_...last, no=349, id=654, vol=2.805159e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 4.005 2.005 2.005 weight 1.000 ! spec=15N_...last, no=350, id=655, vol=2.668300e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HN) 2.948 1.086 1.086 weight 1.000 ! spec=15N_...last, no=351, id=656, vol=8.964276e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 3.085 1.190 1.190 weight 1.000 ! spec=15N_...last, no=352, id=657, vol=6.129759e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HD2) 4.121 2.122 2.122 weight 1.000 ! spec=15N_...last, no=354, id=659, vol=2.078040e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=15N_...last, no=356, id=660, vol=9.492026e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   26 and name   HA) 3.684 1.696 1.696 weight 1.000 ! spec=15N_...last, no=357, id=661, vol=2.824662e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   29 and name  HB2) 3.073 1.180 1.180 weight 1.000 ! spec=15N_...last, no=359, id=662, vol=5.013150e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.681 0.899 0.899 weight 1.000 ! spec=15N_...last, no=361, id=664, vol=1.219113e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.553 1.578 1.578 weight 1.000 ! spec=15N_...last, no=362, id=665, vol=1.046442e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.235 0.624 0.624 weight 1.000 ! spec=15N_...last, no=363, id=666, vol=2.811563e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HA) 3.006 1.130 1.130 weight 1.000 ! spec=15N_...last, no=367, id=669, vol=5.815640e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=15N_...last, no=370, id=670, vol=1.077554e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name   HN) 4.768 2.842 2.842 weight 1.000 ! spec=15N_...last, no=372, id=672, vol=3.048224e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   33 and name   HN) 2.250 0.633 0.633 weight 1.000 ! spec=15N_...last, no=374, id=673, vol=2.049853e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=15N_...last, no=376, id=674, vol=1.092761e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HA) 3.597 1.617 1.617 weight 1.000 ! spec=15N_...last, no=377, id=675, vol=7.158456e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 4.113 2.115 2.115 weight 1.000 ! spec=15N_...last, no=380, id=676, vol=3.800675e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.957 1.093 1.093 weight 1.000 ! spec=15N_...last, no=381, id=677, vol=1.044876e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 2.220 0.616 0.616 weight 1.000 ! spec=15N_...last, no=385, id=679, vol=3.791388e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HN) 4.340 2.354 2.354 weight 1.000 ! spec=15N_...last, no=387, id=681, vol=3.410445e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.667 0.889 0.889 weight 1.000 ! spec=15N_...last, no=390, id=682, vol=1.793476e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB3)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA) 3.094 1.197 1.197 weight 1.000 ! spec=15N_...last, no=392, id=684, vol=5.963924e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 2.184 0.596 0.596 weight 1.000 ! spec=15N_...last, no=393, id=685, vol=4.562812e+07
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HB) 3.677 1.690 1.690 weight 1.000 ! spec=15N_...last, no=394, id=686, vol=5.096872e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   26 and name  HB2) 3.553 1.578 1.578 weight 1.000 ! spec=15N_...last, no=395, id=687, vol=3.558482e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   26 and name  HB3)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name HG21) 2.830 1.001 1.001 weight 1.000 ! spec=15N_...last, no=396, id=688, vol=1.042121e+07
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name HG23)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   50 and name   HN) 2.743 0.940 0.940 weight 1.000 ! spec=15N_...last, no=397, id=689, vol=1.073472e+07
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HA) 2.331 0.679 0.679 weight 1.000 ! spec=15N_...last, no=398, id=690, vol=2.877737e+07
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   49 and name   HA) 3.828 1.832 1.832 weight 1.000 ! spec=15N_...last, no=400, id=691, vol=4.692977e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.702 0.913 0.913 weight 1.000 ! spec=15N_...last, no=401, id=692, vol=1.541970e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=15N_...last, no=402, id=693, vol=6.984294e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HB) 2.428 0.737 0.737 weight 1.000 ! spec=15N_...last, no=403, id=694, vol=2.279230e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.474 0.765 0.765 weight 1.000 ! spec=15N_...last, no=404, id=695, vol=2.384300e+07
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HB) 2.594 0.841 0.841 weight 1.000 ! spec=15N_...last, no=407, id=696, vol=1.535587e+07
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  103 and name  HB1) 3.430 1.471 1.471 weight 1.000 ! spec=15N_...last, no=408, id=697, vol=8.832479e+06
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HG2) 3.358 1.410 1.410 weight 1.000 ! spec=15N_...last, no=409, id=698, vol=1.464448e+07
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  103 and name  HB2) 2.822 0.995 0.995 weight 1.000 ! spec=15N_...last, no=410, id=699, vol=1.017858e+07
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HB2) 2.653 0.880 0.880 weight 1.000 ! spec=15N_...last, no=411, id=700, vol=1.161455e+07
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name   HA) 2.728 0.930 0.930 weight 1.000 ! spec=15N_...last, no=412, id=701, vol=1.428432e+07
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name HG21) 3.727 1.736 1.736 weight 1.000 ! spec=15N_...last, no=417, id=703, vol=8.866003e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name HG23)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   49 and name HG22) 2.707 0.916 0.916 weight 1.000 ! spec=15N_...last, no=418, id=704, vol=1.027080e+07
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HA) 3.013 1.135 1.135 weight 1.000 ! spec=15N_...last, no=423, id=706, vol=6.062004e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB1) 3.074 1.181 1.181 weight 1.000 ! spec=15N_...last, no=425, id=708, vol=7.478462e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG12) 3.055 1.167 1.167 weight 1.000 ! spec=15N_...last, no=427, id=709, vol=1.072541e+07
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG22) 2.618 0.857 0.857 weight 1.000 ! spec=15N_...last, no=428, id=710, vol=1.243864e+07
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 3.119 1.216 1.216 weight 1.000 ! spec=15N_...last, no=435, id=713, vol=5.140432e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HB) 2.516 0.791 0.791 weight 1.000 ! spec=15N_...last, no=436, id=714, vol=1.319713e+07
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG12) 3.448 1.486 1.486 weight 1.000 ! spec=15N_...last, no=440, id=715, vol=7.983276e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG22) 2.254 0.635 0.635 weight 1.000 ! spec=15N_...last, no=441, id=716, vol=2.561001e+07
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HN) 4.706 2.768 2.768 weight 1.000 ! spec=15N_...last, no=442, id=717, vol=2.016998e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HA2) 2.878 1.035 1.035 weight 1.000 ! spec=15N_...last, no=445, id=720, vol=2.214551e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG12) 2.955 1.092 1.092 weight 1.000 ! spec=15N_...last, no=449, id=721, vol=1.145867e+07
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG22) 3.912 1.913 1.913 weight 1.000 ! spec=15N_...last, no=450, id=722, vol=8.193366e+06
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HN) 4.348 2.363 2.363 weight 1.000 ! spec=15N_...last, no=452, id=723, vol=5.618178e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HD1) 4.764 2.837 2.837 weight 1.000 ! spec=15N_...last, no=453, id=724, vol=4.474262e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HD2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 3.113 1.212 1.212 weight 1.000 ! spec=15N_...last, no=455, id=725, vol=7.360136e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HA1) 2.645 0.874 0.874 weight 1.000 ! spec=15N_...last, no=456, id=726, vol=1.638098e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HA2) 2.926 1.070 1.070 weight 1.000 ! spec=15N_...last, no=457, id=727, vol=1.241333e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB2) 2.857 1.020 1.020 weight 1.000 ! spec=15N_...last, no=458, id=728, vol=1.172429e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB1) 2.878 1.035 1.035 weight 1.000 ! spec=15N_...last, no=459, id=729, vol=1.196958e+07
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name   HN) 3.874 1.876 1.876 weight 1.000 ! spec=15N_...last, no=464, id=730, vol=1.791967e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HD1) 3.915 1.916 1.916 weight 1.000 ! spec=15N_...last, no=465, id=731, vol=5.152672e+06
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HD2)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name   HA) 2.291 0.656 0.656 weight 1.000 ! spec=15N_...last, no=467, id=732, vol=2.211708e+07
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HA2) 2.981 1.111 1.111 weight 1.000 ! spec=15N_...last, no=468, id=733, vol=1.267186e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD2) 4.661 2.715 2.715 weight 1.000 ! spec=15N_...last, no=471, id=734, vol=2.496308e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG12) 3.614 1.633 1.633 weight 1.000 ! spec=15N_...last, no=473, id=736, vol=6.658936e+06
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG22) 3.793 1.798 1.798 weight 1.000 ! spec=15N_...last, no=474, id=737, vol=7.117889e+06
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name HD21) 1.678 0.352 0.352 weight 1.000 ! spec=15N_...last, no=475, id=738, vol=1.047375e+08
assign (segid "   A" and resid  116 and name HE22) (segid "   A" and resid   67 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=15N_...last, no=484, id=740, vol=4.038706e+06
assign (segid "   A" and resid  116 and name HE21) (segid "   A" and resid   67 and name   HN) 3.510 1.540 1.540 weight 1.000 ! spec=15N_...last, no=485, id=741, vol=5.377058e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=15N_...last, no=492, id=743, vol=9.700916e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB2) 4.372 2.389 2.389 weight 1.000 ! spec=15N_...last, no=493, id=744, vol=4.950282e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HB) 2.622 0.859 0.859 weight 1.000 ! spec=15N_...last, no=494, id=745, vol=1.223151e+07
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG12) 2.363 0.698 0.698 weight 1.000 ! spec=15N_...last, no=496, id=746, vol=1.701476e+07
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG11)
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG13)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG22) 3.313 1.372 1.372 weight 1.000 ! spec=15N_...last, no=498, id=747, vol=8.690234e+06
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   70 and name  HB1) 3.480 1.514 1.514 weight 1.000 ! spec=15N_...last, no=499, id=748, vol=8.567258e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   68 and name   HN) 2.884 1.040 1.040 weight 1.000 ! spec=15N_...last, no=501, id=749, vol=7.860808e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name   HN) 3.929 1.929 1.929 weight 1.000 ! spec=15N_...last, no=502, id=750, vol=4.181485e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name   HA) 2.300 0.661 0.661 weight 1.000 ! spec=15N_...last, no=503, id=751, vol=2.535165e+07
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   69 and name   HA) 3.431 1.471 1.471 weight 1.000 ! spec=15N_...last, no=504, id=752, vol=8.514305e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG22) 3.525 1.554 1.554 weight 1.000 ! spec=15N_...last, no=507, id=754, vol=7.904554e+06
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   68 and name   HN) 3.495 1.527 1.527 weight 1.000 ! spec=15N_...last, no=508, id=755, vol=6.811194e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   35 and name   HA) 3.335 1.390 1.390 weight 1.000 ! spec=15N_...last, no=513, id=759, vol=5.948020e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name   HA) 2.768 0.958 0.958 weight 1.000 ! spec=15N_...last, no=514, id=760, vol=1.066411e+07
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name   HA) 2.141 0.573 0.573 weight 1.000 ! spec=15N_...last, no=515, id=761, vol=3.659676e+07
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HB1) 2.842 1.010 1.010 weight 1.000 ! spec=15N_...last, no=516, id=762, vol=8.693709e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name   HB) 2.739 0.938 0.938 weight 1.000 ! spec=15N_...last, no=517, id=763, vol=9.948246e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   35 and name HG21) 2.952 1.090 1.090 weight 1.000 ! spec=15N_...last, no=518, id=764, vol=1.920395e+07
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   35 and name HG22)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   35 and name HG23)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name HG22) 2.465 0.759 0.759 weight 1.000 ! spec=15N_...last, no=519, id=765, vol=2.748618e+07
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name HG21)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name HG23)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG22) 2.519 0.793 0.793 weight 1.000 ! spec=15N_...last, no=520, id=766, vol=2.414946e+07
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG23)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HB2) 2.490 0.775 0.775 weight 1.000 ! spec=15N_...last, no=524, id=767, vol=1.382012e+07
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HB1)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HB3)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name   HB) 3.432 1.472 1.472 weight 1.000 ! spec=15N_...last, no=526, id=768, vol=7.119266e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   67 and name   HA) 3.964 1.964 1.964 weight 1.000 ! spec=15N_...last, no=529, id=769, vol=4.275232e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=15N_...last, no=540, id=772, vol=1.015236e+07
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB1)
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB3)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name   HA) 2.844 1.011 1.011 weight 1.000 ! spec=15N_...last, no=541, id=773, vol=8.491575e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=15N_...last, no=542, id=774, vol=1.438055e+07
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name   HA) 3.390 1.437 1.437 weight 1.000 ! spec=15N_...last, no=544, id=776, vol=4.770824e+06
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name   HA) 2.722 0.926 0.926 weight 1.000 ! spec=15N_...last, no=545, id=777, vol=1.247714e+07
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name  HB2) 2.465 0.760 0.760 weight 1.000 ! spec=15N_...last, no=548, id=779, vol=2.510133e+07
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=15N_...last, no=549, id=780, vol=1.065162e+07
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB1)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB3)
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  117 and name   HA) 2.876 1.034 1.034 weight 1.000 ! spec=15N_...last, no=552, id=782, vol=1.040110e+07
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name   HB) 2.914 1.061 1.061 weight 1.000 ! spec=15N_...last, no=553, id=783, vol=6.171478e+06
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=15N_...last, no=557, id=786, vol=1.072093e+07
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name   HN) 3.232 1.306 1.306 weight 1.000 ! spec=15N_...last, no=558, id=787, vol=2.853956e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=15N_...last, no=561, id=788, vol=6.435902e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name   HA) 2.450 0.750 0.750 weight 1.000 ! spec=15N_...last, no=562, id=789, vol=1.720735e+07
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name   HB) 3.263 1.331 1.331 weight 1.000 ! spec=15N_...last, no=564, id=791, vol=5.751818e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name   HA) 2.565 0.822 0.822 weight 1.000 ! spec=15N_...last, no=568, id=795, vol=1.565691e+07
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name  HA1) 3.154 1.244 1.244 weight 1.000 ! spec=15N_...last, no=569, id=796, vol=6.140518e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name  HA2) 2.854 1.018 1.018 weight 1.000 ! spec=15N_...last, no=570, id=797, vol=1.298097e+07
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HB2) 3.740 1.749 1.749 weight 1.000 ! spec=15N_...last, no=571, id=798, vol=1.013407e+07
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HD1) 4.047 2.048 2.048 weight 1.000 ! spec=15N_...last, no=573, id=800, vol=3.974766e+06
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HD2)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name   HA) 3.460 1.497 1.497 weight 1.000 ! spec=15N_...last, no=575, id=801, vol=3.816638e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name  HA1) 2.766 0.957 0.957 weight 1.000 ! spec=15N_...last, no=577, id=802, vol=1.023793e+07
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name  HA2) 4.112 2.114 2.114 weight 1.000 ! spec=15N_...last, no=578, id=803, vol=6.972861e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB1) 4.118 2.119 2.119 weight 1.000 ! spec=15N_...last, no=579, id=804, vol=4.710315e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB2) 2.970 1.103 1.103 weight 1.000 ! spec=15N_...last, no=580, id=805, vol=6.403072e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name   HA) 2.862 1.024 1.024 weight 1.000 ! spec=15N_...last, no=582, id=806, vol=1.079642e+07
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB2) 2.322 0.674 0.674 weight 1.000 ! spec=15N_...last, no=583, id=807, vol=2.154283e+07
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB3)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HB2) 3.742 1.750 1.750 weight 1.000 ! spec=15N_...last, no=584, id=808, vol=1.010850e+07
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HB1) 2.929 1.072 1.072 weight 1.000 ! spec=15N_...last, no=586, id=809, vol=1.217474e+07
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=15N_...last, no=587, id=810, vol=1.645112e+07
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HD1) 5.165 3.335 3.335 weight 1.000 ! spec=15N_...last, no=588, id=811, vol=2.847854e+06
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HD2)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name   HA) 2.958 1.094 1.094 weight 1.000 ! spec=15N_...last, no=590, id=813, vol=8.582483e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=15N_...last, no=591, id=814, vol=1.604315e+07
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name  HB1) 3.660 1.675 1.675 weight 1.000 ! spec=15N_...last, no=592, id=815, vol=1.122944e+07
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   62 and name  HB1) 3.587 1.609 1.609 weight 1.000 ! spec=15N_...last, no=593, id=816, vol=4.057867e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name  HB2) 2.606 0.849 0.849 weight 1.000 ! spec=15N_...last, no=594, id=817, vol=1.525084e+07
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB2) 3.104 1.204 1.204 weight 1.000 ! spec=15N_...last, no=598, id=818, vol=1.797736e+07
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB3)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name  HD2) 3.308 1.368 1.368 weight 1.000 ! spec=15N_...last, no=600, id=819, vol=5.718138e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   64 and name   HN) 3.035 1.152 1.152 weight 1.000 ! spec=15N_...last, no=601, id=820, vol=9.744453e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid  116 and name   HN) 3.585 1.607 1.607 weight 1.000 ! spec=15N_...last, no=602, id=821, vol=5.457826e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   62 and name  HB2) 3.468 1.504 1.504 weight 1.000 ! spec=15N_...last, no=603, id=822, vol=4.344095e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name   HN) 4.737 2.805 2.805 weight 1.000 ! spec=15N_...last, no=604, id=823, vol=2.360598e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=15N_...last, no=607, id=824, vol=2.043801e+07
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name   HA) 3.002 1.126 1.126 weight 1.000 ! spec=15N_...last, no=608, id=825, vol=7.147433e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HB2) 2.722 0.926 0.926 weight 1.000 ! spec=15N_...last, no=613, id=827, vol=1.465264e+07
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HB1) 2.467 0.761 0.761 weight 1.000 ! spec=15N_...last, no=614, id=828, vol=1.471236e+07
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD22) 3.817 1.821 1.821 weight 1.000 ! spec=15N_...last, no=615, id=829, vol=8.398697e+06
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name   HA) 3.091 1.195 1.195 weight 1.000 ! spec=15N_...last, no=617, id=830, vol=6.045414e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name   HA) 2.240 0.627 0.627 weight 1.000 ! spec=15N_...last, no=618, id=831, vol=2.947973e+07
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HB2) 3.367 1.417 1.417 weight 1.000 ! spec=15N_...last, no=619, id=832, vol=5.826173e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB2) 3.795 1.801 1.801 weight 1.000 ! spec=15N_...last, no=620, id=833, vol=1.072200e+07
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   67 and name  HB2) 3.491 1.523 1.523 weight 1.000 ! spec=15N_...last, no=627, id=834, vol=1.070109e+07
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=15N_...last, no=644, id=836, vol=3.180776e+07
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   50 and name   HA) 4.416 2.437 2.437 weight 1.000 ! spec=15N_...last, no=646, id=838, vol=2.855928e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name  HB2) 4.798 2.877 2.877 weight 1.000 ! spec=15N_...last, no=651, id=840, vol=3.276413e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   51 and name   HB) 3.207 1.285 1.285 weight 1.000 ! spec=15N_...last, no=652, id=841, vol=5.940112e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   70 and name   HN) 4.141 2.143 2.143 weight 1.000 ! spec=15N_...last, no=656, id=844, vol=2.750479e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  123 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=15N_...last, no=657, id=845, vol=1.095153e+07
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  121 and name   HN) 4.162 2.166 2.166 weight 1.000 ! spec=15N_...last, no=658, id=846, vol=1.993072e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name   HA) 2.105 0.554 0.554 weight 1.000 ! spec=15N_...last, no=659, id=847, vol=3.409124e+07
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name   HA) 2.889 1.043 1.043 weight 1.000 ! spec=15N_...last, no=661, id=848, vol=6.604959e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  122 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=15N_...last, no=662, id=849, vol=1.229318e+07
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name  HB2) 3.355 1.407 1.407 weight 1.000 ! spec=15N_...last, no=663, id=850, vol=1.460845e+07
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HB2) 2.331 0.679 0.679 weight 1.000 ! spec=15N_...last, no=665, id=851, vol=1.701313e+07
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  122 and name HD22) 2.432 0.740 0.740 weight 1.000 ! spec=15N_...last, no=667, id=852, vol=1.843142e+07
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  127 and name   HN) 4.320 2.333 2.333 weight 1.000 ! spec=15N_...last, no=669, id=853, vol=3.655313e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HN) 4.292 2.302 2.302 weight 1.000 ! spec=15N_...last, no=672, id=854, vol=3.222862e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  125 and name   HN) 4.030 2.030 2.030 weight 1.000 ! spec=15N_...last, no=675, id=855, vol=4.011516e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HA) 2.083 0.542 0.542 weight 1.000 ! spec=15N_...last, no=676, id=856, vol=4.944868e+07
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name   HB) 3.830 1.834 1.834 weight 1.000 ! spec=15N_...last, no=677, id=857, vol=3.543926e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  124 and name  HA2) 3.220 1.296 1.296 weight 1.000 ! spec=15N_...last, no=678, id=858, vol=5.000380e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name  HB2) 4.465 2.492 2.492 weight 1.000 ! spec=15N_...last, no=679, id=859, vol=3.239280e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name HG21) 2.702 0.913 0.913 weight 1.000 ! spec=15N_...last, no=681, id=860, vol=1.181505e+07
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name  HB1) 3.032 1.149 1.149 weight 1.000 ! spec=15N_...last, no=682, id=861, vol=1.189498e+07
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD22) 3.879 1.880 1.880 weight 1.000 ! spec=15N_...last, no=683, id=862, vol=5.111582e+06
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  126 and name HD12) 2.736 0.936 0.936 weight 1.000 ! spec=15N_...last, no=684, id=863, vol=8.859629e+06
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   72 and name   HN) 4.714 2.778 2.778 weight 1.000 ! spec=15N_...last, no=685, id=864, vol=1.817877e+06
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name   HA) 2.244 0.630 0.630 weight 1.000 ! spec=15N_...last, no=687, id=865, vol=4.112932e+07
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   72 and name  HB1) 3.282 1.347 1.347 weight 1.000 ! spec=15N_...last, no=689, id=866, vol=4.168322e+06
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name  HB2) 2.402 0.721 0.721 weight 1.000 ! spec=15N_...last, no=690, id=867, vol=2.606420e+07
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid  126 and name  HB2) 3.891 1.892 1.892 weight 1.000 ! spec=15N_...last, no=691, id=868, vol=4.678292e+06
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name   HA) 2.465 0.760 0.760 weight 1.000 ! spec=15N_...last, no=694, id=870, vol=1.883198e+07
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name   HB) 2.906 1.055 1.055 weight 1.000 ! spec=15N_...last, no=695, id=871, vol=8.853399e+06
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=15N_...last, no=696, id=872, vol=4.303559e+06
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name  HB1) 3.557 1.581 1.581 weight 1.000 ! spec=15N_...last, no=697, id=873, vol=4.342714e+06
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name HG21) 4.380 2.398 2.398 weight 1.000 ! spec=15N_...last, no=698, id=874, vol=3.219812e+06
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   75 and name   HN) 3.343 1.397 1.397 weight 1.000 ! spec=15N_...last, no=699, id=875, vol=3.679476e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   77 and name   HN) 3.501 1.532 1.532 weight 1.000 ! spec=15N_...last, no=700, id=876, vol=5.581156e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name   HA) 3.008 1.131 1.131 weight 1.000 ! spec=15N_...last, no=702, id=878, vol=9.997612e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name   HB) 2.797 0.978 0.978 weight 1.000 ! spec=15N_...last, no=703, id=879, vol=1.053335e+07
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name   HA) 3.513 1.543 1.543 weight 1.000 ! spec=15N_...last, no=704, id=880, vol=3.824290e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   76 and name   HN) 2.765 0.956 0.956 weight 1.000 ! spec=15N_...last, no=707, id=882, vol=1.014424e+07
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name   HA) 3.724 1.734 1.734 weight 1.000 ! spec=15N_...last, no=709, id=884, vol=3.439294e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name   HA) 3.099 1.201 1.201 weight 1.000 ! spec=15N_...last, no=711, id=885, vol=6.792675e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name   HA) 3.023 1.142 1.142 weight 1.000 ! spec=15N_...last, no=713, id=886, vol=6.832894e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   73 and name  HB2) 3.718 1.728 1.728 weight 1.000 ! spec=15N_...last, no=714, id=887, vol=6.659133e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name   HB) 2.309 0.666 0.666 weight 1.000 ! spec=15N_...last, no=716, id=889, vol=2.710000e+07
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG12) 3.718 1.728 1.728 weight 1.000 ! spec=15N_...last, no=718, id=891, vol=6.678648e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   75 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=15N_...last, no=721, id=893, vol=6.292903e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name   HA) 2.917 1.063 1.063 weight 1.000 ! spec=15N_...last, no=722, id=894, vol=1.062491e+07
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name   HB) 2.583 0.834 0.834 weight 1.000 ! spec=15N_...last, no=725, id=896, vol=1.282547e+07
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG22) 3.737 1.746 1.746 weight 1.000 ! spec=15N_...last, no=726, id=897, vol=3.994175e+06
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   79 and name   HN) 2.773 0.961 0.961 weight 1.000 ! spec=15N_...last, no=727, id=898, vol=9.951167e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name   HA) 2.663 0.887 0.887 weight 1.000 ! spec=15N_...last, no=728, id=899, vol=1.582966e+07
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name   HA) 3.376 1.425 1.425 weight 1.000 ! spec=15N_...last, no=729, id=900, vol=5.922037e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   77 and name   HA) 3.770 1.776 1.776 weight 1.000 ! spec=15N_...last, no=730, id=901, vol=3.030347e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD12) 3.912 1.913 1.913 weight 1.000 ! spec=15N_...last, no=735, id=904, vol=6.180755e+06
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name   HA) 2.792 0.974 0.974 weight 1.000 ! spec=15N_...last, no=736, id=905, vol=1.100069e+07
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   77 and name   HA) 3.272 1.338 1.338 weight 1.000 ! spec=15N_...last, no=737, id=906, vol=5.456910e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   81 and name  HG1) 3.894 1.895 1.895 weight 1.000 ! spec=15N_...last, no=739, id=907, vol=4.686418e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   79 and name  HB1) 2.829 1.001 1.001 weight 1.000 ! spec=15N_...last, no=740, id=908, vol=1.207691e+07
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HB2) 2.687 0.902 0.902 weight 1.000 ! spec=15N_...last, no=741, id=909, vol=8.925193e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD22) 3.677 1.690 1.690 weight 1.000 ! spec=15N_...last, no=742, id=910, vol=5.963731e+06
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name   HA) 3.125 1.221 1.221 weight 1.000 ! spec=15N_...last, no=743, id=911, vol=8.085068e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=15N_...last, no=744, id=912, vol=1.351699e+07
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   82 and name   HN) 2.701 0.912 0.912 weight 1.000 ! spec=15N_...last, no=745, id=913, vol=1.254227e+07
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   79 and name   HA) 3.406 1.450 1.450 weight 1.000 ! spec=15N_...last, no=746, id=914, vol=3.183244e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HG2) 3.410 1.453 1.453 weight 1.000 ! spec=15N_...last, no=748, id=916, vol=7.957192e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=15N_...last, no=750, id=917, vol=1.842611e+07
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HB1) 3.576 1.598 1.598 weight 1.000 ! spec=15N_...last, no=752, id=918, vol=6.861037e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HB2) 3.730 1.740 1.740 weight 1.000 ! spec=15N_...last, no=753, id=919, vol=2.239385e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   79 and name   HA) 3.491 1.523 1.523 weight 1.000 ! spec=15N_...last, no=759, id=922, vol=4.707484e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HB2) 2.482 0.770 0.770 weight 1.000 ! spec=15N_...last, no=762, id=924, vol=1.776679e+07
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=15N_...last, no=765, id=925, vol=8.255026e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name   HA) 3.068 1.177 1.177 weight 1.000 ! spec=15N_...last, no=766, id=926, vol=6.931580e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name  HB1) 2.981 1.111 1.111 weight 1.000 ! spec=15N_...last, no=767, id=927, vol=8.278218e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name  HB2) 4.333 2.347 2.347 weight 1.000 ! spec=15N_...last, no=768, id=928, vol=4.510126e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name  HB2) 2.577 0.830 0.830 weight 1.000 ! spec=15N_...last, no=769, id=929, vol=1.195041e+07
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name  HB1)
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name  HB3)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name   HA) 2.478 0.767 0.767 weight 1.000 ! spec=15N_...last, no=771, id=930, vol=3.246081e+07
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name  HA1) 4.578 2.620 2.620 weight 1.000 ! spec=15N_...last, no=772, id=931, vol=4.243221e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name   HA) 3.338 1.393 1.393 weight 1.000 ! spec=15N_...last, no=773, id=932, vol=5.956497e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name  HB1) 3.616 1.634 1.634 weight 1.000 ! spec=15N_...last, no=774, id=933, vol=5.838686e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name  HB2) 3.258 1.327 1.327 weight 1.000 ! spec=15N_...last, no=775, id=934, vol=5.116532e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name  HB2) 2.625 0.862 0.862 weight 1.000 ! spec=15N_...last, no=778, id=935, vol=1.162514e+07
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name  HB1)
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name  HB3)
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name  HA1) 2.413 0.728 0.728 weight 1.000 ! spec=15N_...last, no=781, id=936, vol=1.894916e+07
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name  HA2) 2.937 1.078 1.078 weight 1.000 ! spec=15N_...last, no=783, id=937, vol=1.635955e+07
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name  HB2) 2.133 0.569 0.569 weight 1.000 ! spec=15N_...last, no=786, id=938, vol=3.820844e+07
    or (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name  HB1)
    or (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name  HB3)
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   85 and name  HA2) 3.875 1.877 1.877 weight 1.000 ! spec=15N_...last, no=787, id=939, vol=4.220348e+06
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name   HA) 2.563 0.821 0.821 weight 1.000 ! spec=15N_...last, no=788, id=940, vol=2.069255e+07
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   84 and name   HA) 3.911 1.912 1.912 weight 1.000 ! spec=15N_...last, no=789, id=941, vol=2.970086e+06
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   87 and name   HN) 2.782 0.968 0.968 weight 1.000 ! spec=15N_...last, no=790, id=942, vol=1.176382e+07
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   84 and name   HN) 4.285 2.295 2.295 weight 1.000 ! spec=15N_...last, no=791, id=943, vol=2.409235e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name   HA) 3.202 1.282 1.282 weight 1.000 ! spec=15N_...last, no=795, id=945, vol=6.757906e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name   HA) 2.937 1.078 1.078 weight 1.000 ! spec=15N_...last, no=796, id=946, vol=9.819286e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   85 and name  HA2) 3.101 1.202 1.202 weight 1.000 ! spec=15N_...last, no=797, id=947, vol=7.014340e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name  HB2) 2.668 0.890 0.890 weight 1.000 ! spec=15N_...last, no=802, id=950, vol=2.326119e+07
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name  HB1)
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name  HB3)
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HD1) 4.547 2.584 2.584 weight 1.000 ! spec=15N_...last, no=806, id=953, vol=3.332012e+06
    or (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HD2)
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   87 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=15N_...last, no=807, id=954, vol=1.366276e+07
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=15N_...last, no=808, id=955, vol=1.269950e+07
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HB2) 3.918 1.919 1.919 weight 1.000 ! spec=15N_...last, no=809, id=956, vol=7.669396e+06
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=15N_...last, no=810, id=957, vol=9.419418e+06
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name  HB2) 2.423 0.734 0.734 weight 1.000 ! spec=15N_...last, no=812, id=959, vol=2.760103e+07
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   91 and name   HN) 2.707 0.916 0.916 weight 1.000 ! spec=15N_...last, no=814, id=960, vol=1.181864e+07
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   89 and name   HA) 4.065 2.066 2.066 weight 1.000 ! spec=15N_...last, no=816, id=962, vol=2.440248e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=15N_...last, no=817, id=963, vol=1.081345e+07
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   88 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=15N_...last, no=818, id=964, vol=8.985583e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   90 and name  HG2) 4.751 2.822 2.822 weight 1.000 ! spec=15N_...last, no=820, id=966, vol=2.704224e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HB1) 2.332 0.680 0.680 weight 1.000 ! spec=15N_...last, no=822, id=968, vol=2.605039e+07
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HB2) 2.695 0.908 0.908 weight 1.000 ! spec=15N_...last, no=823, id=969, vol=1.243685e+07
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   92 and name   HN) 2.621 0.858 0.858 weight 1.000 ! spec=15N_...last, no=826, id=971, vol=1.379459e+07
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HD1) 4.576 2.618 2.618 weight 1.000 ! spec=15N_...last, no=828, id=972, vol=5.346422e+06
    or (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HD2)
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   89 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=15N_...last, no=829, id=973, vol=6.977290e+06
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name   HA) 2.842 1.010 1.010 weight 1.000 ! spec=15N_...last, no=830, id=974, vol=1.269515e+07
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   91 and name  HB1) 2.812 0.988 0.988 weight 1.000 ! spec=15N_...last, no=834, id=976, vol=8.406317e+06
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   91 and name  HB2) 3.905 1.906 1.906 weight 1.000 ! spec=15N_...last, no=835, id=977, vol=6.328897e+06
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   94 and name   HN) 2.776 0.963 0.963 weight 1.000 ! spec=15N_...last, no=837, id=978, vol=1.017561e+07
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   92 and name  HD1) 3.940 1.941 1.941 weight 1.000 ! spec=15N_...last, no=838, id=979, vol=7.296159e+06
    or (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   92 and name  HD2)
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   90 and name   HA) 2.899 1.051 1.051 weight 1.000 ! spec=15N_...last, no=839, id=980, vol=1.099977e+07
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name   HA) 2.696 0.909 0.909 weight 1.000 ! spec=15N_...last, no=840, id=981, vol=9.448427e+06
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   92 and name  HB1) 2.594 0.841 0.841 weight 1.000 ! spec=15N_...last, no=841, id=982, vol=1.392560e+07
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name  HB2) 2.483 0.771 0.771 weight 1.000 ! spec=15N_...last, no=844, id=983, vol=1.444629e+07
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name   HG) 2.649 0.877 0.877 weight 1.000 ! spec=15N_...last, no=847, id=986, vol=8.134058e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=15N_...last, no=850, id=988, vol=1.941420e+07
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   90 and name   HA) 4.129 2.131 2.131 weight 1.000 ! spec=15N_...last, no=851, id=989, vol=2.812257e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   93 and name   HA) 3.218 1.294 1.294 weight 1.000 ! spec=15N_...last, no=852, id=990, vol=6.177400e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   93 and name  HB2) 2.657 0.883 0.883 weight 1.000 ! spec=15N_...last, no=853, id=991, vol=9.840069e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   93 and name  HB1) 3.383 1.430 1.430 weight 1.000 ! spec=15N_...last, no=855, id=993, vol=1.224607e+07
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   93 and name   HN) 3.366 1.416 1.416 weight 1.000 ! spec=15N_...last, no=857, id=994, vol=5.910604e+06
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   96 and name   HN) 2.082 0.542 0.542 weight 1.000 ! spec=15N_...last, no=858, id=995, vol=4.285070e+07
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name   HA) 2.704 0.914 0.914 weight 1.000 ! spec=15N_...last, no=859, id=996, vol=1.369319e+07
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   96 and name   HG) 3.576 1.598 1.598 weight 1.000 ! spec=15N_...last, no=864, id=1000, vol=5.554412e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name   HA) 3.285 1.349 1.349 weight 1.000 ! spec=15N_...last, no=867, id=1002, vol=4.831433e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   94 and name   HA) 3.530 1.558 1.558 weight 1.000 ! spec=15N_...last, no=868, id=1003, vol=3.802641e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=15N_...last, no=869, id=1004, vol=1.505584e+07
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   93 and name   HA) 2.868 1.028 1.028 weight 1.000 ! spec=15N_...last, no=870, id=1005, vol=1.802160e+07
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HB1) 3.388 1.435 1.435 weight 1.000 ! spec=15N_...last, no=872, id=1006, vol=1.507242e+07
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD12) 3.211 1.289 1.289 weight 1.000 ! spec=15N_...last, no=873, id=1007, vol=1.383715e+07
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD11)
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD13)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name  HB2) 2.896 1.049 1.049 weight 1.000 ! spec=15N_...last, no=874, id=1008, vol=1.223563e+07
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name  HB1)
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name  HB3)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD22) 3.513 1.543 1.543 weight 1.000 ! spec=15N_...last, no=876, id=1010, vol=8.867637e+06
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD21)
    or (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name HD23)
assign (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  117 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=15N_...last, no=877, id=1011, vol=1.190575e+07
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name   HN) 2.385 0.711 0.711 weight 1.000 ! spec=15N_...last, no=878, id=1012, vol=2.073248e+07
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   95 and name   HA) 3.319 1.377 1.377 weight 1.000 ! spec=15N_...last, no=879, id=1013, vol=4.499704e+06
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name   HA) 2.697 0.909 0.909 weight 1.000 ! spec=15N_...last, no=880, id=1014, vol=1.690324e+07
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HG2) 2.332 0.679 0.679 weight 1.000 ! spec=15N_...last, no=885, id=1018, vol=3.386074e+07
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   95 and name  HB2) 3.217 1.294 1.294 weight 1.000 ! spec=15N_...last, no=886, id=1019, vol=9.979572e+06
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   95 and name  HB1)
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   95 and name  HB3)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name   HA) 3.572 1.594 1.594 weight 1.000 ! spec=15N_...last, no=888, id=1020, vol=4.382973e+06
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid  100 and name   HN) 2.689 0.904 0.904 weight 1.000 ! spec=15N_...last, no=889, id=1021, vol=1.063112e+07
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  100 and name   HN) 3.820 1.824 1.824 weight 1.000 ! spec=15N_...last, no=891, id=1023, vol=3.070271e+06
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid  101 and name   HN) 3.919 1.920 1.920 weight 1.000 ! spec=15N_...last, no=892, id=1024, vol=3.182997e+06
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  101 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=15N_...last, no=893, id=1025, vol=1.241050e+07
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name   HA) 2.765 0.956 0.956 weight 1.000 ! spec=15N_...last, no=894, id=1026, vol=1.361439e+07
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid   98 and name   HA) 3.987 1.987 1.987 weight 1.000 ! spec=15N_...last, no=895, id=1027, vol=1.755794e+06
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   96 and name   HA) 3.129 1.224 1.224 weight 1.000 ! spec=15N_...last, no=896, id=1028, vol=6.604522e+06
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  103 and name  HB1) 4.643 2.695 2.695 weight 1.000 ! spec=15N_...last, no=897, id=1029, vol=7.863668e+06
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid   99 and name   HA) 3.020 1.140 1.140 weight 1.000 ! spec=15N_...last, no=898, id=1030, vol=6.140585e+06
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   99 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=15N_...last, no=899, id=1031, vol=8.219578e+06
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name  HB2) 2.028 0.514 0.514 weight 1.000 ! spec=15N_...last, no=904, id=1032, vol=5.074848e+07
    or (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name  HB3)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   99 and name  HB2) 2.201 0.605 0.605 weight 1.000 ! spec=15N_...last, no=905, id=1033, vol=2.484880e+07
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   99 and name  HB1) 3.244 1.315 1.315 weight 1.000 ! spec=15N_...last, no=907, id=1034, vol=9.854735e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  101 and name   HA) 2.759 0.951 0.951 weight 1.000 ! spec=15N_...last, no=912, id=1037, vol=1.191977e+07
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   98 and name   HA) 3.109 1.208 1.208 weight 1.000 ! spec=15N_...last, no=913, id=1038, vol=6.291132e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name   HA) 3.568 1.592 1.592 weight 1.000 ! spec=15N_...last, no=914, id=1039, vol=4.263075e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   99 and name   HA) 4.032 2.032 2.032 weight 1.000 ! spec=15N_...last, no=915, id=1040, vol=2.116758e+06
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  101 and name   HN) 2.042 0.521 0.521 weight 1.000 ! spec=15N_...last, no=916, id=1041, vol=4.387094e+07
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name   HA) 3.408 1.452 1.452 weight 1.000 ! spec=15N_...last, no=918, id=1043, vol=4.997888e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  104 and name   HN) 2.676 0.895 0.895 weight 1.000 ! spec=15N_...last, no=919, id=1044, vol=1.222989e+07
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  105 and name   HN) 2.795 0.977 0.977 weight 1.000 ! spec=15N_...last, no=920, id=1045, vol=9.670642e+06
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  101 and name   HA) 3.437 1.477 1.477 weight 1.000 ! spec=15N_...last, no=924, id=1046, vol=4.946687e+06
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HG1) 2.553 0.815 0.815 weight 1.000 ! spec=15N_...last, no=926, id=1047, vol=1.238598e+07
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  103 and name   HN) 4.463 2.489 2.489 weight 1.000 ! spec=15N_...last, no=928, id=1048, vol=1.924762e+06
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  105 and name   HN) 2.736 0.936 0.936 weight 1.000 ! spec=15N_...last, no=930, id=1050, vol=1.082629e+07
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name HD21) 4.832 2.919 2.919 weight 1.000 ! spec=15N_...last, no=931, id=1051, vol=2.999384e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=15N_...last, no=932, id=1052, vol=1.183490e+07
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  106 and name   HA) 4.550 2.587 2.587 weight 1.000 ! spec=15N_...last, no=933, id=1053, vol=3.103699e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name  HB2) 2.663 0.887 0.887 weight 1.000 ! spec=15N_...last, no=936, id=1056, vol=1.032392e+07
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name  HB1) 3.857 1.859 1.859 weight 1.000 ! spec=15N_...last, no=937, id=1057, vol=6.142252e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name  HG1) 4.157 2.160 2.160 weight 1.000 ! spec=15N_...last, no=938, id=1058, vol=5.288457e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  106 and name  HB2) 4.049 2.050 2.050 weight 1.000 ! spec=15N_...last, no=939, id=1059, vol=4.815206e+06
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  106 and name  HB1)
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  106 and name  HB3)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   22 and name   HN) 3.809 1.814 1.814 weight 1.000 ! spec=15N_...last, no=942, id=1061, vol=4.631356e+06
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  103 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=15N_...last, no=943, id=1062, vol=9.213386e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name   HA) 3.030 1.148 1.148 weight 1.000 ! spec=15N_...last, no=944, id=1063, vol=7.067694e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  125 and name  HA1) 3.703 1.714 1.714 weight 1.000 ! spec=15N_...last, no=945, id=1064, vol=5.426522e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name   HG) 3.273 1.339 1.339 weight 1.000 ! spec=15N_...last, no=946, id=1065, vol=1.082685e+07
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name   HA) 3.419 1.462 1.462 weight 1.000 ! spec=15N_...last, no=950, id=1068, vol=5.078412e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name   HA) 2.759 0.952 0.952 weight 1.000 ! spec=15N_...last, no=951, id=1069, vol=1.280333e+07
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name  HD2) 4.305 2.317 2.317 weight 1.000 ! spec=15N_...last, no=953, id=1070, vol=1.954259e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name  HB2) 2.873 1.031 1.031 weight 1.000 ! spec=15N_...last, no=955, id=1071, vol=5.668986e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  108 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=15N_...last, no=959, id=1072, vol=1.874843e+07
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  108 and name  HA1) 2.934 1.076 1.076 weight 1.000 ! spec=15N_...last, no=961, id=1074, vol=2.042401e+07
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  108 and name  HA2) 2.544 0.809 0.809 weight 1.000 ! spec=15N_...last, no=962, id=1075, vol=1.685668e+07
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name  HB2) 3.544 1.570 1.570 weight 1.000 ! spec=15N_...last, no=963, id=1076, vol=4.258970e+06
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name  HB1) 4.123 2.124 2.124 weight 1.000 ! spec=15N_...last, no=964, id=1077, vol=3.721425e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  109 and name   HN) 3.364 1.414 1.414 weight 1.000 ! spec=15N_...last, no=967, id=1079, vol=6.983437e+06
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  109 and name   HN) 2.782 0.967 0.967 weight 1.000 ! spec=15N_...last, no=968, id=1080, vol=1.103397e+07
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  117 and name  HB2) 2.275 0.647 0.647 weight 1.000 ! spec=15N_...last, no=971, id=1082, vol=2.251426e+07
    or (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name   HB) 2.489 0.774 0.774 weight 1.000 ! spec=15N_...last, no=976, id=1083, vol=1.608038e+07
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG12) 3.478 1.512 1.512 weight 1.000 ! spec=15N_...last, no=977, id=1084, vol=9.592883e+06
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG22) 3.406 1.450 1.450 weight 1.000 ! spec=15N_...last, no=978, id=1085, vol=3.553932e+06
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name   HN) 4.580 2.622 2.622 weight 1.000 ! spec=15N_...last, no=980, id=1086, vol=2.126559e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  110 and name   HA) 3.389 1.436 1.436 weight 1.000 ! spec=15N_...last, no=982, id=1087, vol=4.246195e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=15N_...last, no=984, id=1088, vol=2.088242e+07
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  110 and name  HB1) 3.018 1.139 1.139 weight 1.000 ! spec=15N_...last, no=985, id=1089, vol=7.393414e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  110 and name  HB2) 3.128 1.223 1.223 weight 1.000 ! spec=15N_...last, no=986, id=1090, vol=6.986484e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name   HB) 3.733 1.742 1.742 weight 1.000 ! spec=15N_...last, no=988, id=1091, vol=5.881920e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG22) 3.541 1.567 1.567 weight 1.000 ! spec=15N_...last, no=991, id=1092, vol=1.317621e+07
    or (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG21)
    or (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG23)
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  111 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=15N_...last, no=994, id=1094, vol=6.369671e+06
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  111 and name  HB1) 3.386 1.433 1.433 weight 1.000 ! spec=15N_...last, no=995, id=1095, vol=2.097395e+07
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  111 and name  HB2) 2.481 0.769 0.769 weight 1.000 ! spec=15N_...last, no=996, id=1096, vol=1.585650e+07
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  112 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=15N_...last, no=998, id=1097, vol=8.723540e+06
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  114 and name   HN) 4.516 2.549 2.549 weight 1.000 ! spec=15N_...last, no=999, id=1098, vol=1.941429e+06
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  110 and name   HA) 3.901 1.902 1.902 weight 1.000 ! spec=15N_...last, no=1002, id=1100, vol=2.865926e+06
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  111 and name  HB1) 3.700 1.711 1.711 weight 1.000 ! spec=15N_...last, no=1004, id=1102, vol=6.587338e+06
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  111 and name  HB2) 3.153 1.243 1.243 weight 1.000 ! spec=15N_...last, no=1005, id=1103, vol=6.225938e+06
assign (segid "   A" and resid  112 and name   HN) (segid "   A" and resid  113 and name   HN) 2.821 0.994 0.994 weight 1.000 ! spec=15N_...last, no=1006, id=1104, vol=9.885064e+06
assign (segid "   A" and resid  113 and name   HN) (segid "   A" and resid  114 and name   HN) 2.541 0.807 0.807 weight 1.000 ! spec=15N_...last, no=1007, id=1105, vol=1.444743e+07
assign (segid "   A" and resid  113 and name   HN) (segid "   A" and resid  113 and name   HA) 3.139 1.232 1.232 weight 1.000 ! spec=15N_...last, no=1008, id=1106, vol=7.543827e+06
assign (segid "   A" and resid  113 and name   HN) (segid "   A" and resid  113 and name  HB2) 2.573 0.827 0.827 weight 1.000 ! spec=15N_...last, no=1009, id=1107, vol=1.801398e+07
assign (segid "   A" and resid  113 and name   HN) (segid "   A" and resid  113 and name  HB1) 2.862 1.024 1.024 weight 1.000 ! spec=15N_...last, no=1010, id=1108, vol=1.024351e+07
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  114 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=15N_...last, no=1012, id=1110, vol=1.213957e+07
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  113 and name   HA) 3.625 1.643 1.643 weight 1.000 ! spec=15N_...last, no=1014, id=1112, vol=3.863570e+06
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  111 and name   HA) 3.009 1.132 1.132 weight 1.000 ! spec=15N_...last, no=1015, id=1113, vol=8.207584e+06
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  112 and name  HA2) 3.341 1.395 1.395 weight 1.000 ! spec=15N_...last, no=1016, id=1114, vol=8.061432e+06
assign (segid "   A" and resid  114 and name   HN) (segid "   A" and resid  114 and name   HA) 2.416 0.730 0.730 weight 1.000 ! spec=15N_...last, no=1017, id=1115, vol=2.197665e+07
assign (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  115 and name HG21) 3.047 1.160 1.160 weight 1.000 ! spec=15N_...last, no=1023, id=1118, vol=7.861434e+06
    or (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  115 and name HG22)
    or (segid "   A" and resid  115 and name   HN) (segid "   A" and resid  115 and name HG23)
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  115 and name   HA) 2.826 0.998 0.998 weight 1.000 ! spec=15N_...last, no=1030, id=1120, vol=1.291489e+07
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  115 and name   HB) 2.405 0.723 0.723 weight 1.000 ! spec=15N_...last, no=1031, id=1121, vol=1.383679e+07
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  116 and name  HB2) 3.500 1.531 1.531 weight 1.000 ! spec=15N_...last, no=1033, id=1122, vol=7.655034e+06
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  116 and name  HB1) 3.434 1.474 1.474 weight 1.000 ! spec=15N_...last, no=1035, id=1123, vol=4.312003e+06
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  115 and name HG21) 4.091 2.092 2.092 weight 1.000 ! spec=15N_...last, no=1038, id=1125, vol=6.357522e+06
    or (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  115 and name HG22)
    or (segid "   A" and resid  116 and name   HN) (segid "   A" and resid  115 and name HG23)
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  116 and name   HA) 2.575 0.829 0.829 weight 1.000 ! spec=15N_...last, no=1041, id=1127, vol=1.454661e+07
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  116 and name  HB2) 3.387 1.434 1.434 weight 1.000 ! spec=15N_...last, no=1042, id=1128, vol=3.456912e+06
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  116 and name  HB1) 4.307 2.319 2.319 weight 1.000 ! spec=15N_...last, no=1044, id=1129, vol=5.191904e+06
assign (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  117 and name   HA) 3.007 1.131 1.131 weight 1.000 ! spec=15N_...last, no=1049, id=1131, vol=9.182960e+06
assign (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  118 and name  HB2) 2.429 0.737 0.737 weight 1.000 ! spec=15N_...last, no=1052, id=1132, vol=1.782045e+07
assign (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  117 and name  HB2) 2.811 0.988 0.988 weight 1.000 ! spec=15N_...last, no=1056, id=1133, vol=1.533352e+07
    or (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  117 and name  HB1)
    or (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  117 and name  HB3)
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name  HB1) 2.318 0.672 0.672 weight 1.000 ! spec=15N_...last, no=1057, id=1134, vol=2.531334e+07
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name   HG) 3.383 1.430 1.430 weight 1.000 ! spec=15N_...last, no=1060, id=1135, vol=1.044851e+07
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name  HB2) 4.022 2.022 2.022 weight 1.000 ! spec=15N_...last, no=1061, id=1136, vol=7.169258e+06
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  120 and name   HA) 4.502 2.533 2.533 weight 1.000 ! spec=15N_...last, no=1064, id=1138, vol=2.679601e+06
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  119 and name   HA) 2.929 1.073 1.073 weight 1.000 ! spec=15N_...last, no=1065, id=1139, vol=8.859376e+06
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  118 and name  HB1) 2.857 1.020 1.020 weight 1.000 ! spec=15N_...last, no=1066, id=1140, vol=9.627736e+06
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  118 and name  HB2) 4.207 2.212 2.212 weight 1.000 ! spec=15N_...last, no=1067, id=1141, vol=5.775952e+06
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  119 and name  HB2) 2.262 0.640 0.640 weight 1.000 ! spec=15N_...last, no=1068, id=1142, vol=2.493941e+07
    or (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  119 and name  HB1)
    or (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  119 and name  HB3)
assign (segid "   A" and resid  119 and name   HN) (segid "   A" and resid  120 and name   HN) 2.803 0.982 0.982 weight 1.000 ! spec=15N_...last, no=1069, id=1143, vol=1.159899e+07
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=15N_...last, no=1072, id=1144, vol=7.653562e+06
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  118 and name   HA) 4.395 2.414 2.414 weight 1.000 ! spec=15N_...last, no=1073, id=1145, vol=4.842891e+06
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  119 and name   HA) 3.302 1.363 1.363 weight 1.000 ! spec=15N_...last, no=1074, id=1146, vol=6.715347e+06
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  118 and name  HB1) 2.866 1.027 1.027 weight 1.000 ! spec=15N_...last, no=1075, id=1147, vol=9.834969e+06
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  118 and name  HB2) 4.017 2.017 2.017 weight 1.000 ! spec=15N_...last, no=1076, id=1148, vol=6.017906e+06
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name  HB1) 2.735 0.935 0.935 weight 1.000 ! spec=15N_...last, no=1078, id=1150, vol=1.306963e+07
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  119 and name  HB2) 2.601 0.846 0.846 weight 1.000 ! spec=15N_...last, no=1079, id=1151, vol=2.154670e+07
    or (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  119 and name  HB1)
    or (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  119 and name  HB3)
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name HD12) 3.497 1.529 1.529 weight 1.000 ! spec=15N_...last, no=1080, id=1152, vol=1.193711e+07
    or (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name HD11)
    or (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name HD13)
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  122 and name   HN) 3.670 1.683 1.683 weight 1.000 ! spec=15N_...last, no=1081, id=1153, vol=5.230755e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  116 and name HE22) 2.743 0.941 0.941 weight 1.000 ! spec=15N_...last, no=1082, id=1154, vol=8.625003e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  121 and name HG12) 2.087 0.544 0.544 weight 1.000 ! spec=15N_...last, no=1083, id=1155, vol=3.084308e+07
    or (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  120 and name  HB1) 3.947 1.948 1.948 weight 1.000 ! spec=15N_...last, no=1085, id=1156, vol=4.804376e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  120 and name   HG) 2.818 0.993 0.993 weight 1.000 ! spec=15N_...last, no=1086, id=1157, vol=5.728485e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  121 and name   HB) 2.674 0.894 0.894 weight 1.000 ! spec=15N_...last, no=1087, id=1158, vol=1.220819e+07
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  121 and name   HA) 3.013 1.135 1.135 weight 1.000 ! spec=15N_...last, no=1088, id=1159, vol=5.731576e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  120 and name   HA) 2.308 0.666 0.666 weight 1.000 ! spec=15N_...last, no=1089, id=1160, vol=2.184993e+07
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid   68 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=15N_...last, no=1090, id=1161, vol=7.155254e+06
assign (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  121 and name   HN) 4.017 2.017 2.017 weight 1.000 ! spec=15N_...last, no=1092, id=1162, vol=7.147594e+06
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  121 and name   HA) 2.131 0.568 0.568 weight 1.000 ! spec=15N_...last, no=1095, id=1165, vol=4.367666e+07
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name   HA) 2.795 0.976 0.976 weight 1.000 ! spec=15N_...last, no=1096, id=1166, vol=9.953342e+06
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  121 and name   HB) 4.933 3.042 3.042 weight 1.000 ! spec=15N_...last, no=1097, id=1167, vol=2.848937e+06
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name  HB2) 2.539 0.806 0.806 weight 1.000 ! spec=15N_...last, no=1098, id=1168, vol=1.499958e+07
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name   HG) 2.630 0.864 0.864 weight 1.000 ! spec=15N_...last, no=1099, id=1169, vol=1.738868e+07
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  121 and name HG22) 3.074 1.181 1.181 weight 1.000 ! spec=15N_...last, no=1101, id=1171, vol=1.112350e+07
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  121 and name HG21)
    or (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  121 and name HG23)
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  123 and name   HN) 3.769 1.776 1.776 weight 1.000 ! spec=15N_...last, no=1102, id=1172, vol=5.027828e+06
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  122 and name   HA) 2.131 0.568 0.568 weight 1.000 ! spec=15N_...last, no=1103, id=1173, vol=3.413098e+07
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  122 and name  HB2) 4.095 2.096 2.096 weight 1.000 ! spec=15N_...last, no=1105, id=1175, vol=5.402302e+06
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name  HB2) 2.514 0.790 0.790 weight 1.000 ! spec=15N_...last, no=1106, id=1176, vol=1.390608e+07
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name   HG) 2.580 0.832 0.832 weight 1.000 ! spec=15N_...last, no=1107, id=1177, vol=1.174407e+07
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  121 and name HG12) 3.253 1.323 2.747 weight 1.000 ! spec=15N_...last, no=1108, id=1178, vol=1.115412e+07
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD22) 4.322 2.335 2.335 weight 1.000 ! spec=15N_...last, no=1109, id=1179, vol=1.577465e+06
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD12) 3.992 1.993 1.993 weight 1.000 ! spec=15N_...last, no=1110, id=1180, vol=4.494398e+06
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name   HN) 4.217 2.222 2.222 weight 1.000 ! spec=15N_...last, no=1111, id=1181, vol=3.264121e+06
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name   HA) 2.233 0.623 0.623 weight 1.000 ! spec=15N_...last, no=1112, id=1182, vol=3.551454e+07
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  124 and name  HA2) 2.551 0.813 0.813 weight 1.000 ! spec=15N_...last, no=1113, id=1183, vol=3.305537e+07
assign (segid "   A" and resid  125 and name   HN) (segid "   A" and resid  125 and name  HA1) 3.127 1.223 1.223 weight 1.000 ! spec=15N_...last, no=1114, id=1184, vol=1.250594e+07
assign (segid "   A" and resid  125 and name   HN) (segid "   A" and resid  125 and name  HA2) 2.526 0.797 0.797 weight 1.000 ! spec=15N_...last, no=1115, id=1185, vol=1.387860e+07
assign (segid "   A" and resid  125 and name   HN) (segid "   A" and resid  126 and name   HN) 3.050 1.163 1.163 weight 1.000 ! spec=15N_...last, no=1117, id=1186, vol=5.180503e+06
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name  HB2) 4.052 2.052 2.052 weight 1.000 ! spec=15N_...last, no=1119, id=1187, vol=6.097788e+06
assign (segid "   A" and resid  125 and name   HN) (segid "   A" and resid  126 and name  HB1) 4.724 2.789 2.789 weight 1.000 ! spec=15N_...last, no=1120, id=1188, vol=6.751422e+06
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name  HB1) 3.566 1.590 1.590 weight 1.000 ! spec=15N_...last, no=1121, id=1189, vol=7.679114e+06
assign (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name HD22) 4.428 2.451 2.451 weight 1.000 ! spec=15N_...last, no=1123, id=1190, vol=4.020265e+06
    or (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  124 and name   HN) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid   73 and name   HN) 3.801 1.806 1.806 weight 1.000 ! spec=15N_...last, no=1124, id=1191, vol=3.250120e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid   72 and name   HA) 2.634 0.868 0.868 weight 1.000 ! spec=15N_...last, no=1125, id=1192, vol=1.464925e+07
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  125 and name  HA2) 2.903 1.053 1.053 weight 1.000 ! spec=15N_...last, no=1126, id=1193, vol=8.848767e+06
assign (segid "   A" and resid  126 and name   HN) (segid "   A" and resid  126 and name  HB2) 2.601 0.845 0.845 weight 1.000 ! spec=15N_...last, no=1128, id=1195, vol=8.392923e+06
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  127 and name   HA) 3.248 1.318 1.318 weight 1.000 ! spec=15N_...last, no=1129, id=1196, vol=5.627632e+06
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  128 and name   HN) 4.140 2.142 2.142 weight 1.000 ! spec=15N_...last, no=1130, id=1197, vol=5.637995e+06
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name   HA) 2.455 0.753 0.753 weight 1.000 ! spec=15N_...last, no=1132, id=1198, vol=2.381423e+07
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  127 and name  HB2) 3.049 1.162 1.162 weight 1.000 ! spec=15N_...last, no=1133, id=1199, vol=5.806443e+06
assign (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name HD12) 5.200 3.380 3.380 weight 1.000 ! spec=15N_...last, no=1134, id=1200, vol=1.880254e+06
    or (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid  127 and name   HN) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  128 and name  HD1) 3.828 1.832 1.832 weight 1.000 ! spec=15N_...last, no=1135, id=1201, vol=5.407346e+06
    or (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  127 and name   HA) 2.998 1.123 1.123 weight 1.000 ! spec=15N_...last, no=1136, id=1202, vol=9.814558e+06
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  128 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=15N_...last, no=1137, id=1203, vol=7.318044e+06
assign (segid "   A" and resid  130 and name   HN) (segid "   A" and resid  129 and name   HA) 2.178 0.593 0.593 weight 1.000 ! spec=15N_...last, no=1144, id=1205, vol=4.203810e+07
assign (segid "   A" and resid  130 and name   HN) (segid "   A" and resid  129 and name  HB2) 4.645 2.697 2.697 weight 1.000 ! spec=15N_...last, no=1145, id=1206, vol=4.076043e+06
assign (segid "   A" and resid  130 and name   HN) (segid "   A" and resid  130 and name  HB2) 2.410 0.726 0.726 weight 1.000 ! spec=15N_...last, no=1147, id=1207, vol=1.985387e+07
    or (segid "   A" and resid  130 and name   HN) (segid "   A" and resid  130 and name  HB1)
    or (segid "   A" and resid  130 and name   HN) (segid "   A" and resid  130 and name  HB3)
assign (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD22) 3.523 1.552 1.552 weight 1.000 ! spec=15N_...last, no=1149, id=1208, vol=3.127154e+06
    or (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD21)
    or (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD23)
assign (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  103 and name   HA) 4.858 2.950 2.950 weight 1.000 ! spec=15N_...last, no=1152, id=1209, vol=4.434874e+06
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name  HE1) 2.514 0.790 0.790 weight 1.000 ! spec=15N_...last, no=1153, id=1210, vol=2.631692e+07
assign (segid "   A" and resid  103 and name  HZ2) (segid "   A" and resid  103 and name  HE1) 2.875 1.033 1.033 weight 1.000 ! spec=15N_...last, no=1154, id=1211, vol=1.176316e+07
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid   92 and name  HE1) 4.190 2.195 2.195 weight 1.000 ! spec=15N_...last, no=1157, id=1212, vol=4.102882e+06
    or (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid   92 and name  HE2)
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   67 and name HD22) 1.711 0.366 0.366 weight 1.000 ! spec=15N_...last, no=1168, id=1213, vol=5.201506e+07
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   67 and name  HB1) 3.852 1.855 1.855 weight 1.000 ! spec=15N_...last, no=1170, id=1214, vol=6.413579e+06
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   67 and name  HB2) 4.176 2.180 2.180 weight 1.000 ! spec=15N_...last, no=1171, id=1215, vol=6.486898e+06
assign (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   48 and name HE21) 1.787 0.399 0.399 weight 1.000 ! spec=15N_...last, no=1184, id=1216, vol=6.662984e+07
assign (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG22) 4.126 2.128 2.128 weight 1.000 ! spec=15N_...last, no=1191, id=1220, vol=2.100619e+06
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG21)
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG23)
assign (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   71 and name HG21) 3.528 1.556 1.556 weight 1.000 ! spec=15N_...last, no=1193, id=1221, vol=3.198433e+06
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   71 and name HG21) 3.923 1.924 1.924 weight 1.000 ! spec=15N_...last, no=1194, id=1222, vol=2.761645e+06
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   71 and name HG22)
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   71 and name HG23)
assign (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  116 and name  HB1) 4.347 2.362 2.362 weight 1.000 ! spec=15N_...last, no=1199, id=1223, vol=6.337544e+06
assign (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name  HB1) 4.529 2.564 2.564 weight 1.000 ! spec=15N_...last, no=1203, id=1224, vol=4.842979e+06
assign (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  121 and name HG12) 2.580 0.832 0.832 weight 1.000 ! spec=15N_...last, no=1211, id=1226, vol=9.001647e+06
    or (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   67 and name  HB1) 2.352 0.691 0.691 weight 1.000 ! spec=15N_...last, no=1214, id=1227, vol=1.183028e+07
assign (segid "   A" and resid  105 and name HD21) (segid "   A" and resid  105 and name HD22) 1.782 0.397 0.397 weight 1.000 ! spec=15N_...last, no=1235, id=1230, vol=6.801500e+07
assign (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name HD22) 1.735 0.376 0.376 weight 1.000 ! spec=15N_...last, no=1259, id=1235, vol=5.792418e+07
assign (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name   HA) 4.394 2.413 2.413 weight 1.000 ! spec=15N_...last, no=1263, id=1237, vol=3.037721e+06
assign (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name  HB2) 2.404 0.722 0.722 weight 1.000 ! spec=15N_...last, no=1264, id=1238, vol=1.168556e+07
assign (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name  HB2) 3.963 1.964 1.964 weight 1.000 ! spec=15N_...last, no=1265, id=1239, vol=6.060868e+06
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  129 and name   HN) 2.723 0.927 0.927 weight 1.000 ! spec=15N_...last, no=1285, id=1240, vol=1.411692e+07
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=15N_...last, no=1286, id=1241, vol=2.511151e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA) 2.458 0.756 3.542 weight 1.000 ! spec=15N_...last, no=1287, id=1242, vol=2.600089e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.505 0.784 0.784 weight 1.000 ! spec=15N_...last, no=1289, id=1243, vol=1.409268e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   89 and name   HZ) 3.814 1.818 1.818 weight 1.000 ! spec=15N_...last, no=1290, id=1244, vol=5.605910e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name  HB1) 4.286 2.297 2.297 weight 1.000 ! spec=15N_...last, no=1294, id=1246, vol=4.788598e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HB) 2.064 0.532 0.532 weight 1.000 ! spec=15N_...last, no=1297, id=1248, vol=5.441476e+07
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB1) 4.040 2.041 2.041 weight 1.000 ! spec=15N_...last, no=1301, id=1250, vol=4.120577e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   77 and name   HN) 2.254 0.635 0.635 weight 1.000 ! spec=15N_...last, no=1307, id=1251, vol=2.540943e+07
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name   HG) 2.322 0.674 0.674 weight 1.000 ! spec=15N_...last, no=1308, id=1252, vol=3.553017e+07
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB2) 3.168 1.254 1.254 weight 1.000 ! spec=15N_...last, no=1319, id=1254, vol=5.054958e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HA1) 5.201 3.382 3.382 weight 1.000 ! spec=15N_...last, no=1320, id=1255, vol=1.265862e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HA2) 3.606 1.625 1.625 weight 1.000 ! spec=15N_...last, no=1329, id=1256, vol=3.787565e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB1) 3.400 1.445 1.445 weight 1.000 ! spec=15N_...last, no=1330, id=1257, vol=9.761315e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB2) 3.121 1.218 1.218 weight 1.000 ! spec=15N_...last, no=1331, id=1258, vol=6.207110e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HA1) 3.012 1.134 1.134 weight 1.000 ! spec=15N_...last, no=1332, id=1259, vol=8.849899e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid   72 and name  HD1) 2.674 0.894 0.894 weight 1.000 ! spec=15N_...last, no=1334, id=1260, vol=1.715733e+07
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid  123 and name  HB2) 3.067 1.176 1.176 weight 1.000 ! spec=15N_...last, no=1336, id=1261, vol=8.154446e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name   HN) 4.357 2.373 2.373 weight 1.000 ! spec=15N_...last, no=1339, id=1262, vol=2.188204e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name  HB2) 4.969 3.086 3.086 weight 1.000 ! spec=15N_...last, no=1344, id=1263, vol=2.732122e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   49 and name HG22) 2.748 0.944 0.944 weight 1.000 ! spec=15N_...last, no=1354, id=1265, vol=1.092162e+07
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   49 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   49 and name HG23)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   35 and name   HA) 4.002 2.002 2.002 weight 1.000 ! spec=15N_...last, no=1357, id=1266, vol=4.176749e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   18 and name  HB2) 4.591 2.635 2.635 weight 1.000 ! spec=15N_...last, no=1359, id=1267, vol=2.264868e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name   HA) 3.527 1.555 1.555 weight 1.000 ! spec=15N_...last, no=1373, id=1268, vol=4.282968e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.001 1.126 1.126 weight 1.000 ! spec=15N_...last, no=1377, id=1269, vol=6.997564e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD21) 3.843 1.846 1.846 weight 1.000 ! spec=15N_...last, no=1378, id=1270, vol=2.826791e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid  128 and name  HE1) 4.202 2.207 2.207 weight 1.000 ! spec=15N_...last, no=1384, id=1271, vol=4.885774e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid  128 and name  HE2)
assign (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD12) 3.232 1.306 1.306 weight 1.000 ! spec=15N_...last, no=1391, id=1272, vol=4.855648e+06
    or (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD11)
    or (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  123 and name HD13)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   52 and name   HA) 3.465 1.501 1.501 weight 1.000 ! spec=15N_...last, no=1392, id=1273, vol=7.179814e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG21) 3.122 1.218 1.218 weight 1.000 ! spec=15N_...last, no=1395, id=1274, vol=1.133838e+07
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid  125 and name   HN) (segid "   A" and resid  126 and name  HB2) 4.482 2.511 2.511 weight 1.000 ! spec=15N_...last, no=1398, id=1275, vol=3.083252e+06
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name HD12) 4.005 2.005 2.005 weight 1.000 ! spec=15N_...last, no=1401, id=1276, vol=4.852643e+06
    or (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name HD11)
    or (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name HD13)
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid   92 and name  HD1) 4.408 2.429 2.429 weight 1.000 ! spec=15N_...last, no=1402, id=1277, vol=3.177335e+06
    or (segid "   A" and resid  129 and name   HN) (segid "   A" and resid   92 and name  HD2)
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid   92 and name  HE1) 4.640 2.691 2.691 weight 1.000 ! spec=15N_...last, no=1403, id=1278, vol=2.084156e+06
    or (segid "   A" and resid  129 and name   HN) (segid "   A" and resid   92 and name  HE2)
assign (segid "   A" and resid   72 and name  HE1) (segid "   A" and resid  126 and name   HG) 3.981 1.981 1.981 weight 1.000 ! spec=15N_...last, no=1404, id=1279, vol=5.224796e+06
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  108 and name  HA2) 4.549 2.587 2.587 weight 1.000 ! spec=15N_...last, no=1419, id=1280, vol=1.684728e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   13 and name  HD1) 4.012 2.012 2.012 weight 1.000 ! spec=15N_...last, no=1423, id=1281, vol=4.264980e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  128 and name  HD1) 4.491 2.521 2.521 weight 1.000 ! spec=15N_...last, no=1428, id=1282, vol=5.152993e+06
    or (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   38 and name HG12) 4.008 2.008 2.008 weight 1.000 ! spec=15N_...last, no=1454, id=1285, vol=5.555560e+06
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   48 and name HE22) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG12) 3.565 1.589 1.589 weight 1.000 ! spec=15N_...last, no=1455, id=1286, vol=3.825604e+06
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG11)
    or (segid "   A" and resid   48 and name HE21) (segid "   A" and resid   38 and name HG13)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.444 0.747 0.747 weight 1.000 ! spec=15N_...last, no=1456, id=1287, vol=2.371616e+07
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   38 and name   HB) 2.582 0.833 0.833 weight 1.000 ! spec=15N_...last, no=1462, id=1288, vol=9.437375e+06
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   96 and name   HG) 4.360 2.377 2.377 weight 1.000 ! spec=15N_...last, no=1463, id=1289, vol=2.747421e+06
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid   68 and name HD12) 3.166 1.253 1.253 weight 1.000 ! spec=15N_...last, no=1464, id=1290, vol=6.923084e+06
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid   68 and name HD11)
    or (segid "   A" and resid  123 and name   HN) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name  HB1) 4.914 3.019 3.019 weight 1.000 ! spec=15N_...last, no=1466, id=1291, vol=1.622178e+06
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   69 and name  HB2) 3.359 1.410 1.410 weight 1.000 ! spec=15N_...last, no=1473, id=1292, vol=2.795968e+06
    or (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid  122 and name HD22) 3.470 1.505 1.505 weight 1.000 ! spec=15N_...last, no=1475, id=1293, vol=2.983407e+06
    or (segid "   A" and resid   67 and name HD22) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   67 and name HD22) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   83 and name   HN) 4.644 2.696 2.696 weight 1.000 ! spec=15N_...last, no=1486, id=1295, vol=9.826909e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name   HA) 3.062 1.172 1.172 weight 1.000 ! spec=15N_...last, no=1487, id=1296, vol=1.137998e+07
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid  122 and name HD22) 3.168 1.254 1.254 weight 1.000 ! spec=15N_...last, no=1497, id=1297, vol=2.442900e+06
    or (segid "   A" and resid   67 and name HD21) (segid "   A" and resid  122 and name HD21)
    or (segid "   A" and resid   67 and name HD21) (segid "   A" and resid  122 and name HD23)
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   69 and name  HB2) 3.468 1.503 1.503 weight 1.000 ! spec=15N_...last, no=1498, id=1298, vol=2.489078e+06
    or (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   69 and name  HB1)
    or (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   69 and name  HB3)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG1) 3.803 1.808 1.808 weight 1.000 ! spec=15N_...last, no=1502, id=1299, vol=1.081468e+07
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HD2) 2.843 1.010 1.010 weight 1.000 ! spec=15N_...last, no=1504, id=1300, vol=1.091242e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   12 and name   HA) 3.088 1.192 1.192 weight 1.000 ! spec=15N_...last, no=1508, id=1301, vol=7.228566e+06
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  110 and name   HA) 2.526 0.797 0.797 weight 1.000 ! spec=15N_...last, no=1517, id=1304, vol=1.748245e+07
assign (segid "   A" and resid  111 and name   HN) (segid "   A" and resid  104 and name  HG1) 4.107 2.108 2.108 weight 1.000 ! spec=15N_...last, no=1518, id=1305, vol=4.657594e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name   HA) 3.560 1.584 1.584 weight 1.000 ! spec=15N_...last, no=1528, id=1307, vol=3.727083e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   70 and name  HB2) 2.620 0.858 0.858 weight 1.000 ! spec=15N_...last, no=1530, id=1308, vol=9.304435e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name  HE1) 4.540 2.577 2.577 weight 1.000 ! spec=15N_...last, no=1531, id=1309, vol=1.933673e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  116 and name   HA) 3.074 1.181 1.181 weight 1.000 ! spec=15N_...last, no=1533, id=1310, vol=7.442712e+06
assign (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG12) 3.437 1.476 1.476 weight 1.000 ! spec=15N_...last, no=1537, id=1311, vol=3.777817e+06
    or (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  110 and name   HN) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  121 and name HG12) 3.303 1.363 1.363 weight 1.000 ! spec=15N_...last, no=1543, id=1313, vol=1.064427e+07
    or (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  121 and name HG11)
    or (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  121 and name HG13)
assign (segid "   A" and resid  116 and name HE22) (segid "   A" and resid  120 and name   HA) 2.907 1.056 1.056 weight 1.000 ! spec=15N_...last, no=1547, id=1314, vol=6.198446e+06
assign (segid "   A" and resid  116 and name HE21) (segid "   A" and resid  120 and name   HA) 3.337 1.392 1.392 weight 1.000 ! spec=15N_...last, no=1548, id=1315, vol=8.197846e+06
assign (segid "   A" and resid  103 and name  HE1) (segid "   A" and resid  126 and name   HG) 3.075 1.182 2.925 weight 1.000 ! spec=15N_...last, no=1549, id=1316, vol=9.062965e+06
assign (segid "   A" and resid  128 and name   HN) (segid "   A" and resid  127 and name  HB1) 2.252 0.634 0.634 weight 1.000 ! spec=15N_...last, no=1552, id=1317, vol=1.766433e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   53 and name   HA) 3.278 1.343 1.343 weight 1.000 ! spec=15N_...last, no=1563, id=1319, vol=4.835724e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name HG12) 2.510 0.787 0.787 weight 1.000 ! spec=15N_...last, no=1569, id=1321, vol=1.714037e+07
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name HG11)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name HG13)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid  115 and name   HA) 3.152 1.242 1.242 weight 1.000 ! spec=15N_...last, no=1571, id=1322, vol=6.518774e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HG) 1.971 0.486 0.486 weight 1.000 ! spec=15N_...last, no=1575, id=1323, vol=4.569988e+07
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  108 and name  HA1) 3.303 1.363 1.363 weight 1.000 ! spec=15N_...last, no=1580, id=1324, vol=1.007052e+07
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  108 and name  HA2) 3.107 1.207 1.207 weight 1.000 ! spec=15N_...last, no=1581, id=1325, vol=7.723298e+06
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  104 and name  HB1) 4.059 2.059 2.059 weight 1.000 ! spec=15N_...last, no=1586, id=1326, vol=3.771780e+06
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   99 and name  HB1) 4.325 2.338 2.338 weight 1.000 ! spec=15N_...last, no=1597, id=1327, vol=7.474104e+06
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  118 and name  HB1) 4.644 2.696 2.696 weight 1.000 ! spec=15N_...last, no=1601, id=1328, vol=7.007932e+06
assign (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  109 and name HG12) 4.377 2.395 2.395 weight 1.000 ! spec=15N_...last, no=1607, id=1329, vol=3.002353e+06
    or (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  117 and name   HN) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid   62 and name  HB1) 3.958 1.959 1.959 weight 1.000 ! spec=15N_...last, no=1612, id=1330, vol=4.254682e+06
assign (segid "   A" and resid  116 and name   HN) (segid "   A" and resid   62 and name  HB2) 3.099 1.200 1.200 weight 1.000 ! spec=15N_...last, no=1613, id=1331, vol=7.838123e+06
assign (segid "   A" and resid  121 and name   HN) (segid "   A" and resid  120 and name  HB2) 4.127 2.129 2.129 weight 1.000 ! spec=15N_...last, no=1615, id=1332, vol=4.863844e+06
assign (segid "   A" and resid  118 and name   HN) (segid "   A" and resid  116 and name  HB2) 2.491 0.776 0.776 weight 1.000 ! spec=15N_...last, no=1617, id=1333, vol=1.303108e+07
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   82 and name  HB2) 3.592 1.613 1.613 weight 1.000 ! spec=15N_...last, no=1618, id=1334, vol=2.453618e+06
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   83 and name   HA) 3.683 1.696 1.696 weight 1.000 ! spec=15N_...last, no=1620, id=1335, vol=3.435716e+06
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   82 and name   HN) 4.100 2.101 2.101 weight 1.000 ! spec=15N_...last, no=1621, id=1336, vol=2.298232e+06
assign (segid "   A" and resid  129 and name   HN) (segid "   A" and resid  127 and name  HB1) 3.637 1.653 1.653 weight 1.000 ! spec=15N_...last, no=1622, id=1337, vol=5.234016e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  108 and name  HA1) 5.588 3.903 3.903 weight 1.000 ! spec=15N_...last, no=1627, id=1338, vol=1.887084e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  104 and name   HA) 3.717 1.727 1.727 weight 1.000 ! spec=15N_...last, no=1628, id=1339, vol=2.630219e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  108 and name  HA2) 5.539 3.835 3.835 weight 1.000 ! spec=15N_...last, no=1629, id=1340, vol=1.631282e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  109 and name HG12) 4.152 2.155 2.155 weight 1.000 ! spec=15N_...last, no=1632, id=1341, vol=4.329689e+06
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  109 and name HG11)
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  109 and name HG13)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY_D2O, no=19, id=8, vol=1.174836e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name   HB) 2.388 0.713 0.713 weight 1.000 ! spec=NOESY_D2O, no=24, id=12, vol=2.972374e+06
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name   HA) 2.753 0.948 0.948 weight 1.000 ! spec=NOESY_D2O, no=25, id=13, vol=1.419762e+06
assign (segid "   A" and resid   39 and name  HA1) (segid "   A" and resid   39 and name  HA2) 1.977 0.489 0.489 weight 1.000 ! spec=NOESY_D2O, no=26, id=14, vol=4.832288e+06
assign (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid  103 and name  HZ2) 2.314 0.670 0.670 weight 1.000 ! spec=NOESY_D2O, no=30, id=16, vol=4.593619e+06
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   80 and name HD12) 3.516 1.545 1.545 weight 1.000 ! spec=NOESY_D2O, no=65, id=22, vol=7.850404e+05
    or (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   80 and name HD13)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   80 and name HD12)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid  103 and name  HE3) 3.910 1.911 1.911 weight 1.000 ! spec=NOESY_D2O, no=79, id=34, vol=9.071001e+05
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid  103 and name  HB1) 4.974 3.093 3.093 weight 1.000 ! spec=NOESY_D2O, no=82, id=36, vol=4.663454e+05
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name  HB2) 3.951 1.951 1.951 weight 1.000 ! spec=NOESY_D2O, no=83, id=37, vol=6.954571e+05
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   31 and name  HB1) 4.428 2.451 2.451 weight 1.000 ! spec=NOESY_D2O, no=90, id=39, vol=3.819672e+05
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   31 and name  HB2) 3.222 1.298 1.298 weight 1.000 ! spec=NOESY_D2O, no=92, id=40, vol=7.754121e+05
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name   HA) 2.274 0.646 0.646 weight 1.000 ! spec=NOESY_D2O, no=106, id=44, vol=4.379398e+06
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   55 and name   HA) 4.134 2.136 2.136 weight 1.000 ! spec=NOESY_D2O, no=107, id=45, vol=3.774849e+05
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name  HB1) 3.837 1.840 1.840 weight 1.000 ! spec=NOESY_D2O, no=108, id=46, vol=4.456298e+05
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name  HE3) 4.375 2.393 2.393 weight 1.000 ! spec=NOESY_D2O, no=117, id=48, vol=3.511885e+05
assign (segid "   A" and resid  103 and name  HD1) (segid "   A" and resid  103 and name  HZ2) 4.342 2.357 2.357 weight 1.000 ! spec=NOESY_D2O, no=118, id=49, vol=4.825859e+05
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name   HA) 4.399 2.419 2.419 weight 1.000 ! spec=NOESY_D2O, no=129, id=50, vol=2.348685e+05
assign (segid "   A" and resid   64 and name  HD2) (segid "   A" and resid   64 and name   HA) 4.317 2.329 2.329 weight 1.000 ! spec=NOESY_D2O, no=132, id=51, vol=1.787752e+05
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid   62 and name   HA) 3.328 1.384 1.384 weight 1.000 ! spec=NOESY_D2O, no=134, id=52, vol=1.896716e+06
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid   62 and name   HA) 4.936 3.045 3.045 weight 1.000 ! spec=NOESY_D2O, no=145, id=53, vol=2.118550e+05
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid   62 and name  HB2) 4.975 3.094 3.094 weight 1.000 ! spec=NOESY_D2O, no=147, id=54, vol=2.026470e+05
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid   62 and name  HB2)
assign (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid   62 and name  HB1) 5.129 3.288 3.288 weight 1.000 ! spec=NOESY_D2O, no=148, id=55, vol=1.609791e+05
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid   62 and name  HB1)
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HB2) 3.125 1.221 1.221 weight 1.000 ! spec=NOESY_D2O, no=156, id=60, vol=2.247590e+06
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   40 and name  HB1) 4.772 2.847 2.847 weight 1.000 ! spec=NOESY_D2O, no=158, id=62, vol=2.764376e+05
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   40 and name  HB1)
assign (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   40 and name  HB2) 4.396 2.415 2.415 weight 1.000 ! spec=NOESY_D2O, no=159, id=63, vol=4.438318e+05
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid  111 and name   HA) 4.047 2.047 2.047 weight 1.000 ! spec=NOESY_D2O, no=162, id=64, vol=6.410561e+05
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid  111 and name   HA)
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid  111 and name  HB1) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY_D2O, no=163, id=65, vol=3.142029e+06
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid  111 and name  HB1)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   77 and name HG12) 4.107 2.108 2.108 weight 1.000 ! spec=NOESY_D2O, no=171, id=67, vol=4.351195e+05
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   77 and name HG12)
assign (segid "   A" and resid  128 and name   HZ) (segid "   A" and resid   80 and name HD12) 3.710 1.721 1.721 weight 1.000 ! spec=NOESY_D2O, no=174, id=69, vol=2.256968e+05
    or (segid "   A" and resid  128 and name   HZ) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid  128 and name   HZ) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid  128 and name   HZ) (segid "   A" and resid   77 and name HG12) 3.510 1.540 1.540 weight 1.000 ! spec=NOESY_D2O, no=177, id=70, vol=3.414945e+05
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid  128 and name  HB2) 4.366 2.383 2.383 weight 1.000 ! spec=NOESY_D2O, no=181, id=71, vol=4.378144e+05
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid  128 and name  HB2)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name   HZ) 4.466 2.493 2.493 weight 1.000 ! spec=NOESY_D2O, no=192, id=75, vol=3.648386e+05
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name   HZ)
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid  111 and name   HA) 3.223 1.298 1.298 weight 1.000 ! spec=NOESY_D2O, no=196, id=77, vol=2.218506e+06
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid  111 and name   HA)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name   HA) 3.234 1.307 1.307 weight 1.000 ! spec=NOESY_D2O, no=197, id=78, vol=1.859746e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid   17 and name   HZ) 2.872 1.031 1.031 weight 1.000 ! spec=NOESY_D2O, no=202, id=83, vol=3.386631e+06
    or (segid "   A" and resid   17 and name  HE2) (segid "   A" and resid   17 and name   HZ)
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid  111 and name  HB2) 3.046 1.160 1.160 weight 1.000 ! spec=NOESY_D2O, no=205, id=84, vol=2.655090e+06
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid  111 and name  HB2)
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid  111 and name  HB2) 3.541 1.568 1.568 weight 1.000 ! spec=NOESY_D2O, no=206, id=85, vol=1.576544e+06
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid  111 and name  HB2)
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid  111 and name  HB1) 3.616 1.635 1.635 weight 1.000 ! spec=NOESY_D2O, no=207, id=86, vol=1.390516e+06
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid  111 and name  HB1)
assign (segid "   A" and resid  111 and name  HD1) (segid "   A" and resid  111 and name   HZ) 3.436 1.476 1.476 weight 1.000 ! spec=NOESY_D2O, no=209, id=88, vol=1.696086e+06
    or (segid "   A" and resid  111 and name  HD2) (segid "   A" and resid  111 and name   HZ)
assign (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid   13 and name  HD1) 4.436 2.460 2.460 weight 1.000 ! spec=NOESY_D2O, no=233, id=97, vol=3.757943e+05
    or (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   13 and name  HE1) (segid "   A" and resid   13 and name  HB1) 4.454 2.480 2.480 weight 1.000 ! spec=NOESY_D2O, no=236, id=100, vol=3.655027e+05
    or (segid "   A" and resid   13 and name  HE2) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name  HB1) 4.319 2.332 2.332 weight 1.000 ! spec=NOESY_D2O, no=237, id=101, vol=2.851155e+05
    or (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name  HB2) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY_D2O, no=238, id=102, vol=4.270072e+06
    or (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   92 and name  HE1) (segid "   A" and resid   92 and name  HD1) 3.916 1.917 1.917 weight 1.000 ! spec=NOESY_D2O, no=241, id=104, vol=1.161490e+06
    or (segid "   A" and resid   92 and name  HE1) (segid "   A" and resid   92 and name  HD2)
    or (segid "   A" and resid   92 and name  HE2) (segid "   A" and resid   92 and name  HD1)
    or (segid "   A" and resid   92 and name  HE2) (segid "   A" and resid   92 and name  HD2)
assign (segid "   A" and resid   92 and name  HD1) (segid "   A" and resid   92 and name  HB2) 4.127 2.129 2.129 weight 1.000 ! spec=NOESY_D2O, no=243, id=105, vol=3.993407e+05
    or (segid "   A" and resid   92 and name  HD2) (segid "   A" and resid   92 and name  HB2)
assign (segid "   A" and resid   72 and name  HE3) (segid "   A" and resid   72 and name  HZ3) 2.695 0.908 0.908 weight 1.000 ! spec=NOESY_D2O, no=277, id=111, vol=2.395100e+06
assign (segid "   A" and resid   72 and name  HE3) (segid "   A" and resid   13 and name  HE1) 3.729 1.738 1.738 weight 1.000 ! spec=NOESY_D2O, no=281, id=112, vol=9.431081e+05
    or (segid "   A" and resid   72 and name  HE3) (segid "   A" and resid   13 and name  HE2)
assign (segid "   A" and resid   72 and name  HE3) (segid "   A" and resid   13 and name   HZ) 3.779 1.785 1.785 weight 1.000 ! spec=NOESY_D2O, no=292, id=114, vol=3.758149e+05
assign (segid "   A" and resid  128 and name   HZ) (segid "   A" and resid   13 and name   HZ) 3.431 1.471 1.471 weight 1.000 ! spec=NOESY_D2O, no=293, id=115, vol=5.460843e+05
assign (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   77 and name HG12) 2.660 0.885 0.885 weight 1.000 ! spec=NOESY_D2O, no=301, id=116, vol=8.695173e+05
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   77 and name HG12)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   77 and name HG12)
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HE1) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY_D2O, no=312, id=120, vol=4.794632e+06
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HE2)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid   80 and name HD12) 4.020 2.020 2.020 weight 1.000 ! spec=NOESY_D2O, no=482, id=121, vol=3.307641e+05
    or (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid   80 and name HD13)
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid   80 and name HD12)
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid  103 and name   HA) 3.365 1.416 1.416 weight 1.000 ! spec=NOESY_D2O, no=1419, id=129, vol=4.413169e+05
assign (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid  128 and name  HE1) 4.176 2.180 2.180 weight 1.000 ! spec=NOESY_D2O, no=1724, id=130, vol=7.114321e+05
    or (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid  128 and name  HE2)
assign (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   17 and name  HD1) 5.346 3.572 3.572 weight 1.000 ! spec=NOESY_D2O, no=1733, id=131, vol=2.156388e+05
    or (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   17 and name  HD1)
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   17 and name  HD1) 4.827 2.913 2.913 weight 1.000 ! spec=NOESY_D2O, no=1734, id=132, vol=3.624228e+05
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   17 and name  HD1)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  115 and name   HB) 2.527 0.798 0.798 weight 1.000 ! spec=NOESY_D2O, no=1821, id=133, vol=2.295481e+06
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HG22) 2.701 0.912 0.912 weight 1.000 ! spec=NOESY_D2O, no=2450, id=134, vol=1.218072e+06
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid  104 and name   HA) (segid "   A" and resid  104 and name  HB2) 2.736 0.936 0.936 weight 1.000 ! spec=NOESY_D2O, no=2560, id=136, vol=3.716147e+06
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   77 and name HG12) 2.836 1.006 1.006 weight 1.000 ! spec=NOESY_D2O, no=2936, id=137, vol=7.273153e+05
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   77 and name HG12)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   77 and name HG12)
assign (segid "   A" and resid   77 and name HG12) (segid "   A" and resid   77 and name   HA) 3.043 1.158 1.158 weight 1.000 ! spec=NOESY_D2O, no=2951, id=143, vol=5.811770e+05
assign (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   77 and name HG12) 4.460 2.486 2.486 weight 1.000 ! spec=NOESY_D2O, no=2955, id=146, vol=1.380805e+05
assign (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name   HA) 5.070 3.213 3.213 weight 1.000 ! spec=NOESY_D2O, no=2961, id=147, vol=8.652446e+04
assign (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name  HB1) 4.050 2.050 2.050 weight 1.000 ! spec=NOESY_D2O, no=2962, id=148, vol=3.113187e+05
assign (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   43 and name  HB2) 3.681 1.694 1.694 weight 1.000 ! spec=NOESY_D2O, no=2963, id=149, vol=4.063393e+05
assign (segid "   A" and resid   43 and name  HE1) (segid "   A" and resid   43 and name  HD2) 5.596 3.915 3.915 weight 1.000 ! spec=NOESY_D2O, no=2964, id=150, vol=1.131057e+05
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   52 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=NOESY_D2O, no=2972, id=151, vol=1.063824e+06
assign (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   51 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=NOESY_D2O, no=2983, id=152, vol=1.111638e+06
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   51 and name   HA)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   51 and name   HA)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name   HA) 3.656 1.671 1.671 weight 1.000 ! spec=NOESY_D2O, no=2985, id=154, vol=2.397199e+05
assign (segid "   A" and resid   72 and name  HE3) (segid "   A" and resid   72 and name  HZ2) 4.583 2.625 2.625 weight 1.000 ! spec=NOESY_D2O, no=2995, id=161, vol=2.284338e+05
assign (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid   70 and name HD22) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY_D2O, no=2998, id=162, vol=1.012412e+06
    or (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid   70 and name HD23)
assign (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   70 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY_D2O, no=3002, id=163, vol=1.191448e+06
assign (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   70 and name HD12) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY_D2O, no=3007, id=164, vol=1.705222e+06
    or (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   72 and name  HH2) (segid "   A" and resid   70 and name HD13)
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  115 and name HG21) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY_D2O, no=3012, id=166, vol=2.888265e+06
    or (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  115 and name HG22)
    or (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  115 and name HG23)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD12) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY_D2O, no=3032, id=169, vol=1.300205e+06
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   80 and name HD13)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD12)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name   HA) 3.038 1.153 1.153 weight 1.000 ! spec=NOESY_D2O, no=3038, id=171, vol=1.727771e+06
assign (segid "   A" and resid   72 and name  HD1) (segid "   A" and resid  127 and name   HA) 4.059 2.060 2.060 weight 1.000 ! spec=NOESY_D2O, no=3039, id=172, vol=1.923642e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   21 and name   HB) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY_D2O, no=3056, id=173, vol=1.968414e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   21 and name HD12) 3.422 1.464 2.578 weight 1.000 ! spec=NOESY_D2O, no=3060, id=174, vol=1.324846e+06
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HD12) 3.108 1.208 1.208 weight 1.000 ! spec=NOESY_D2O, no=3061, id=175, vol=1.127994e+06
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  103 and name  HZ3) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY_D2O, no=3066, id=177, vol=7.659086e+05
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  103 and name  HZ3)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  103 and name  HZ3)
assign (segid "   A" and resid   70 and name HD12) (segid "   A" and resid  103 and name  HZ3) 3.627 1.645 1.645 weight 1.000 ! spec=NOESY_D2O, no=3069, id=178, vol=2.521895e+05
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid  103 and name  HZ3)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid  103 and name  HZ3)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   77 and name HG11) 4.817 2.900 2.900 weight 1.000 ! spec=NOESY_D2O, no=3116, id=180, vol=2.719008e+05
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   77 and name HG11)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   77 and name   HB) 4.839 2.927 2.927 weight 1.000 ! spec=NOESY_D2O, no=3117, id=181, vol=2.918720e+05
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   77 and name   HB)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   72 and name  HB2) 4.714 2.778 2.778 weight 1.000 ! spec=NOESY_D2O, no=3119, id=182, vol=4.702122e+05
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   72 and name  HB2)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid   72 and name  HD1) 5.375 3.611 3.611 weight 1.000 ! spec=NOESY_D2O, no=3122, id=183, vol=9.666876e+04
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid   72 and name  HD1)
assign (segid "   A" and resid    9 and name HG21) (segid "   A" and resid   10 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=NOESY_D2O, no=3131, id=185, vol=1.972186e+06
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid    9 and name HG23) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   96 and name  HB2) (segid "   A" and resid   96 and name  HB1) 1.585 0.314 0.314 weight 1.000 ! spec=NOESY_D2O, no=3133, id=186, vol=1.122509e+07
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HG1) 2.353 0.692 0.692 weight 1.000 ! spec=NOESY_D2O, no=3138, id=187, vol=5.913458e+06
assign (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   72 and name  HZ2) 3.331 1.387 1.387 weight 1.000 ! spec=NOESY_D2O, no=3159, id=188, vol=5.927862e+05
    or (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   72 and name  HZ2)
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   72 and name  HZ2)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid  128 and name  HD1) 3.733 1.742 1.742 weight 1.000 ! spec=NOESY_D2O, no=3199, id=189, vol=2.455467e+05
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid  128 and name  HD2)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid  128 and name  HD1)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid   92 and name  HE1) (segid "   A" and resid  128 and name  HD1) 5.998 4.497 4.497 weight 1.000 ! spec=NOESY_D2O, no=3200, id=190, vol=1.068182e+05
    or (segid "   A" and resid   92 and name  HE1) (segid "   A" and resid  128 and name  HD2)
    or (segid "   A" and resid   92 and name  HE2) (segid "   A" and resid  128 and name  HD1)
    or (segid "   A" and resid   92 and name  HE2) (segid "   A" and resid  128 and name  HD2)
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD12) 1.822 0.415 0.415 weight 1.000 ! spec=NOESY_D2O, no=3203, id=191, vol=8.463386e+06
    or (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD11)
    or (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name HD13)
assign (segid "   A" and resid  103 and name  HE3) (segid "   A" and resid  100 and name HD12) 2.765 0.956 0.956 weight 1.000 ! spec=NOESY_D2O, no=3212, id=192, vol=1.439378e+06
    or (segid "   A" and resid  103 and name  HE3) (segid "   A" and resid  100 and name HD11)
    or (segid "   A" and resid  103 and name  HE3) (segid "   A" and resid  100 and name HD13)
assign (segid "   A" and resid  126 and name  HB2) (segid "   A" and resid  103 and name  HZ2) 4.905 3.007 3.007 weight 1.000 ! spec=NOESY_D2O, no=3213, id=193, vol=2.166921e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   89 and name   HZ) 3.723 1.733 1.733 weight 1.000 ! spec=NOESY_D2O, no=3216, id=195, vol=4.672589e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   89 and name  HE1) 3.555 1.580 1.580 weight 1.000 ! spec=NOESY_D2O, no=3218, id=197, vol=1.637778e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   89 and name  HE2)
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid   86 and name   HA) 4.013 2.013 2.013 weight 1.000 ! spec=NOESY_D2O, no=3221, id=199, vol=7.531397e+05
    or (segid "   A" and resid   17 and name  HE2) (segid "   A" and resid   86 and name   HA)
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name  HB2) 2.146 0.576 0.576 weight 1.000 ! spec=NOESY_D2O, no=3228, id=202, vol=4.148558e+06
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   17 and name  HE1) 4.626 2.675 2.675 weight 1.000 ! spec=NOESY_D2O, no=3250, id=206, vol=5.028987e+05
    or (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   17 and name  HE2)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   17 and name  HE1)
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   17 and name  HE2)
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   96 and name HD22) 3.084 1.189 2.916 weight 1.000 ! spec=NOESY_D2O, no=3258, id=207, vol=6.947257e+05
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   96 and name HD21)
    or (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   96 and name HD23)
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   80 and name   HG) 3.627 1.645 1.645 weight 1.000 ! spec=NOESY_D2O, no=3259, id=208, vol=2.308386e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HB1) 3.910 1.911 1.911 weight 1.000 ! spec=NOESY_D2O, no=3260, id=209, vol=3.502535e+05
assign (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   40 and name   HA) 3.979 1.979 1.979 weight 1.000 ! spec=NOESY_D2O, no=3262, id=210, vol=7.916243e+05
    or (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   35 and name   HA) 4.036 2.036 2.036 weight 1.000 ! spec=NOESY_D2O, no=3264, id=212, vol=2.155596e+05
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  111 and name   HZ) 2.978 1.108 1.108 weight 1.000 ! spec=NOESY_D2O, no=3268, id=214, vol=7.675209e+05
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  111 and name   HZ)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  111 and name   HZ)
assign (segid "   A" and resid  100 and name   HG) (segid "   A" and resid  103 and name  HE3) 3.695 1.707 1.707 weight 1.000 ! spec=NOESY_D2O, no=3276, id=216, vol=7.985401e+05
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid   66 and name   HA) 4.208 2.214 2.214 weight 1.000 ! spec=NOESY_D2O, no=3277, id=217, vol=2.189630e+05
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  116 and name  HG2) 3.677 1.690 1.690 weight 1.000 ! spec=NOESY_D2O, no=3279, id=218, vol=3.280872e+05
assign (segid "   A" and resid  115 and name   HA) (segid "   A" and resid  116 and name  HB1) 4.163 2.166 2.166 weight 1.000 ! spec=NOESY_D2O, no=3281, id=219, vol=2.079072e+05
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid  115 and name   HA) 4.211 2.217 2.217 weight 1.000 ! spec=NOESY_D2O, no=3282, id=220, vol=4.634099e+05
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid   99 and name  HB2) 4.240 2.248 2.248 weight 1.000 ! spec=NOESY_D2O, no=3288, id=221, vol=3.239232e+05
assign (segid "   A" and resid  103 and name  HH2) (segid "   A" and resid   99 and name  HB1) 2.952 1.090 1.090 weight 1.000 ! spec=NOESY_D2O, no=3290, id=222, vol=1.227521e+06
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid  130 and name  HB2) 2.529 0.799 0.799 weight 1.000 ! spec=NOESY_D2O, no=3291, id=223, vol=1.933917e+06
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid  130 and name  HB1)
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid  130 and name  HB3)
assign (segid "   A" and resid  130 and name  HB2) (segid "   A" and resid   92 and name  HB2) 3.575 1.597 1.597 weight 1.000 ! spec=NOESY_D2O, no=3292, id=224, vol=4.005921e+05
    or (segid "   A" and resid  130 and name  HB1) (segid "   A" and resid   92 and name  HB2)
    or (segid "   A" and resid  130 and name  HB3) (segid "   A" and resid   92 and name  HB2)
assign (segid "   A" and resid  100 and name   HG) (segid "   A" and resid  103 and name  HZ3) 4.185 2.189 2.189 weight 1.000 ! spec=NOESY_D2O, no=3294, id=226, vol=4.764692e+05
assign (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  111 and name  HE1) 3.663 1.677 1.677 weight 1.000 ! spec=NOESY_D2O, no=3295, id=227, vol=6.261008e+05
    or (segid "   A" and resid  100 and name HD12) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid  100 and name HD11) (segid "   A" and resid  111 and name  HE2)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  111 and name  HE1)
    or (segid "   A" and resid  100 and name HD13) (segid "   A" and resid  111 and name  HE2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 2.361 0.697 0.697 weight 1.000 ! spec=NOESY_H2O, no=2, id=230, vol=3.208239e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.677 0.896 0.896 weight 1.000 ! spec=NOESY_H2O, no=6, id=234, vol=2.367284e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.937 1.078 1.078 weight 1.000 ! spec=NOESY_H2O, no=15, id=240, vol=1.734850e+06
assign (segid "   A" and resid  123 and name   HN) (segid "   A" and resid  123 and name   HA) 3.090 1.194 1.194 weight 1.000 ! spec=NOESY_H2O, no=16, id=241, vol=9.986540e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HN) 2.651 0.878 0.878 weight 1.000 ! spec=NOESY_H2O, no=23, id=244, vol=3.165637e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name   HN) 2.527 0.798 0.798 weight 1.000 ! spec=NOESY_H2O, no=24, id=245, vol=3.843096e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name   HN) 2.186 0.597 0.597 weight 1.000 ! spec=NOESY_H2O, no=25, id=246, vol=8.413637e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.877 1.034 1.034 weight 1.000 ! spec=NOESY_H2O, no=26, id=247, vol=1.848038e+06
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name   HN) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY_H2O, no=27, id=248, vol=4.010286e+06
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name   HA) 2.236 0.625 0.625 weight 1.000 ! spec=NOESY_H2O, no=30, id=250, vol=6.949038e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.358 0.695 0.695 weight 1.000 ! spec=NOESY_H2O, no=34, id=253, vol=6.728774e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY_H2O, no=36, id=254, vol=2.065921e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.574 0.828 0.828 weight 1.000 ! spec=NOESY_H2O, no=38, id=256, vol=4.843908e+06
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HN) 2.267 0.643 0.643 weight 1.000 ! spec=NOESY_H2O, no=48, id=260, vol=3.649346e+06
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   33 and name  HB3) (segid "   A" and resid   33 and name   HN)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG21) 2.286 0.653 0.653 weight 1.000 ! spec=NOESY_H2O, no=50, id=262, vol=4.839204e+06
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.071 0.536 0.536 weight 1.000 ! spec=NOESY_H2O, no=51, id=263, vol=7.693195e+06
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB3)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.217 0.615 0.615 weight 1.000 ! spec=NOESY_H2O, no=52, id=264, vol=4.839267e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB2) 2.203 0.607 0.607 weight 1.000 ! spec=NOESY_H2O, no=54, id=266, vol=6.217952e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY_H2O, no=55, id=267, vol=5.240832e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.141 0.573 0.573 weight 1.000 ! spec=NOESY_H2O, no=57, id=269, vol=5.320430e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HB) 2.423 0.734 0.734 weight 1.000 ! spec=NOESY_H2O, no=58, id=270, vol=5.267489e+06
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA) 2.149 0.577 0.577 weight 1.000 ! spec=NOESY_H2O, no=60, id=272, vol=4.928277e+06
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   33 and name  HB3) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   39 and name   HN) 2.200 0.605 0.605 weight 1.000 ! spec=NOESY_H2O, no=63, id=274, vol=7.465456e+06
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   72 and name  HB2) 3.286 1.349 1.349 weight 1.000 ! spec=NOESY_H2O, no=71, id=281, vol=3.923965e+06
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid  103 and name  HZ2) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY_H2O, no=75, id=283, vol=2.242842e+06
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid  103 and name  HH2) 2.273 0.646 0.646 weight 1.000 ! spec=NOESY_H2O, no=77, id=285, vol=7.520369e+06
assign (segid "   A" and resid  103 and name  HE3) (segid "   A" and resid  103 and name  HB1) 2.876 1.034 1.034 weight 1.000 ! spec=NOESY_H2O, no=80, id=287, vol=5.706733e+06
assign (segid "   A" and resid   58 and name  HD2) (segid "   A" and resid   58 and name   HA) 4.893 2.993 2.993 weight 1.000 ! spec=NOESY_H2O, no=85, id=290, vol=2.804031e+05
assign (segid "   A" and resid  103 and name  HZ3) (segid "   A" and resid  103 and name  HE3) 2.358 0.695 0.695 weight 1.000 ! spec=NOESY_H2O, no=86, id=291, vol=5.835518e+06
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   55 and name  HB2) 2.912 1.060 1.060 weight 1.000 ! spec=NOESY_H2O, no=88, id=293, vol=1.393823e+06
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   55 and name  HE1) 3.279 1.344 1.344 weight 1.000 ! spec=NOESY_H2O, no=89, id=294, vol=3.000621e+06
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid   62 and name  HB1) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY_H2O, no=93, id=296, vol=2.917898e+06
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid   62 and name  HB1)
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid   62 and name  HB2) 3.398 1.443 1.443 weight 1.000 ! spec=NOESY_H2O, no=94, id=297, vol=1.656705e+06
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid   62 and name  HB2)
assign (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid   62 and name  HD1) 2.835 1.005 1.005 weight 1.000 ! spec=NOESY_H2O, no=99, id=299, vol=1.123455e+07
    or (segid "   A" and resid   62 and name  HE1) (segid "   A" and resid   62 and name  HD2)
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid   62 and name  HD1)
    or (segid "   A" and resid   62 and name  HE2) (segid "   A" and resid   62 and name  HD2)
assign (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name  HB1) 3.206 1.285 1.285 weight 1.000 ! spec=NOESY_H2O, no=102, id=302, vol=2.599711e+06
    or (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name  HB1)
assign (segid "   A" and resid   72 and name  HZ2) (segid "   A" and resid   72 and name  HE1) 2.788 0.972 0.972 weight 1.000 ! spec=NOESY_H2O, no=103, id=303, vol=2.675492e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name   HZ) 4.039 2.039 2.039 weight 1.000 ! spec=NOESY_H2O, no=121, id=314, vol=9.474339e+05
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name   HZ)
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid   17 and name  HD1) 2.914 1.061 1.061 weight 1.000 ! spec=NOESY_H2O, no=122, id=315, vol=8.938110e+06
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   17 and name  HE2) (segid "   A" and resid   17 and name  HD1)
    or (segid "   A" and resid   17 and name  HE2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid  128 and name  HE1) (segid "   A" and resid  128 and name   HZ) 2.959 1.095 1.095 weight 1.000 ! spec=NOESY_H2O, no=125, id=316, vol=3.456632e+06
    or (segid "   A" and resid  128 and name  HE2) (segid "   A" and resid  128 and name   HZ)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name  HE1) 3.125 1.221 1.221 weight 1.000 ! spec=NOESY_H2O, no=126, id=317, vol=5.792988e+06
    or (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name  HE2)
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name  HE1)
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name  HE2)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name   HA) 3.725 1.735 1.735 weight 1.000 ! spec=NOESY_H2O, no=128, id=319, vol=1.301490e+06
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name   HA)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name  HB1) 3.255 1.324 1.324 weight 1.000 ! spec=NOESY_H2O, no=129, id=320, vol=2.304944e+06
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name  HB1)
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid  128 and name  HB2) 2.890 1.044 1.044 weight 1.000 ! spec=NOESY_H2O, no=130, id=321, vol=4.620456e+06
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid  128 and name  HB2)
assign (segid "   A" and resid  111 and name  HE1) (segid "   A" and resid  111 and name   HZ) 2.551 0.813 0.813 weight 1.000 ! spec=NOESY_H2O, no=131, id=322, vol=8.153252e+06
    or (segid "   A" and resid  111 and name  HE2) (segid "   A" and resid  111 and name   HZ)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   89 and name   HZ) 3.350 1.403 1.403 weight 1.000 ! spec=NOESY_H2O, no=135, id=325, vol=2.603005e+06
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   89 and name   HZ)
assign (segid "   A" and resid   89 and name   HZ) (segid "   A" and resid   89 and name  HE1) 2.583 0.834 0.834 weight 1.000 ! spec=NOESY_H2O, no=136, id=326, vol=7.305840e+06
    or (segid "   A" and resid   89 and name   HZ) (segid "   A" and resid   89 and name  HE2)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   89 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=NOESY_H2O, no=137, id=327, vol=3.848240e+06
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   89 and name   HA)
assign (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   89 and name  HB2) 3.642 1.658 1.658 weight 1.000 ! spec=NOESY_H2O, no=138, id=328, vol=1.626694e+06
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   89 and name  HB2) 3.055 1.167 1.167 weight 1.000 ! spec=NOESY_H2O, no=139, id=329, vol=3.278948e+06
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   89 and name  HE1) (segid "   A" and resid   89 and name  HB1) 3.585 1.606 1.606 weight 1.000 ! spec=NOESY_H2O, no=140, id=330, vol=1.796960e+06
    or (segid "   A" and resid   89 and name  HE2) (segid "   A" and resid   89 and name  HB1)
assign (segid "   A" and resid   89 and name  HD1) (segid "   A" and resid   89 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=NOESY_H2O, no=141, id=331, vol=3.634851e+06
    or (segid "   A" and resid   89 and name  HD2) (segid "   A" and resid   89 and name  HB1)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HB2) 3.473 1.508 1.508 weight 1.000 ! spec=NOESY_H2O, no=142, id=332, vol=1.512774e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HB1) 3.235 1.308 1.308 weight 1.000 ! spec=NOESY_H2O, no=143, id=333, vol=2.175256e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid   13 and name  HE1) 2.699 0.911 0.911 weight 1.000 ! spec=NOESY_H2O, no=149, id=337, vol=6.031596e+06
    or (segid "   A" and resid   13 and name   HZ) (segid "   A" and resid   13 and name  HE2)
assign (segid "   A" and resid   92 and name  HD1) (segid "   A" and resid   92 and name   HA) 4.209 2.214 2.214 weight 1.000 ! spec=NOESY_H2O, no=156, id=341, vol=5.805592e+05
    or (segid "   A" and resid   92 and name  HD2) (segid "   A" and resid   92 and name   HA)
assign (segid "   A" and resid   64 and name  HE1) (segid "   A" and resid   64 and name  HD2) 4.511 2.544 2.544 weight 1.000 ! spec=NOESY_H2O, no=162, id=343, vol=4.578443e+05
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HA) 4.159 2.162 2.162 weight 1.000 ! spec=NOESY_H2O, no=178, id=349, vol=4.316687e+05
assign (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name  HB2) 3.141 1.233 1.233 weight 1.000 ! spec=NOESY_H2O, no=179, id=350, vol=8.880252e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   68 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=NOESY_H2O, no=208, id=364, vol=3.911183e+06
assign (segid "   A" and resid  122 and name   HN) (segid "   A" and resid  122 and name  HB1) 3.449 1.487 1.487 weight 1.000 ! spec=NOESY_H2O, no=209, id=365, vol=2.494005e+06
assign (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name  HB1) 4.954 3.068 3.068 weight 1.000 ! spec=NOESY_H2O, no=227, id=370, vol=3.704147e+05
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB2) 1.891 0.447 0.447 weight 1.000 ! spec=NOESY_H2O, no=246, id=375, vol=1.258525e+07
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB1)
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB3)
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB2) 2.085 0.543 0.543 weight 1.000 ! spec=NOESY_H2O, no=247, id=376, vol=7.153188e+06
    or (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB1)
    or (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HB3)
assign (segid "   A" and resid  120 and name   HN) (segid "   A" and resid  120 and name  HB2) 2.792 0.974 0.974 weight 1.000 ! spec=NOESY_H2O, no=248, id=377, vol=4.072969e+06
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name HD12) 3.957 1.957 1.957 weight 1.000 ! spec=NOESY_H2O, no=265, id=379, vol=7.470222e+05
    or (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name HD11)
    or (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name HD13)
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   80 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=NOESY_H2O, no=266, id=380, vol=3.185098e+06
    or (segid "   A" and resid   80 and name HD21) (segid "   A" and resid   80 and name   HA)
    or (segid "   A" and resid   80 and name HD23) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.240 0.627 0.627 weight 1.000 ! spec=NOESY_H2O, no=290, id=390, vol=4.988162e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG21) 3.010 1.133 1.133 weight 1.000 ! spec=NOESY_H2O, no=298, id=393, vol=5.584648e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG23)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name   HA) 2.128 0.566 0.566 weight 1.000 ! spec=NOESY_H2O, no=383, id=401, vol=5.989606e+06
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name  HB1) 2.504 0.784 0.784 weight 1.000 ! spec=NOESY_H2O, no=423, id=403, vol=2.816316e+06
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name  HB1)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name  HB1)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name HD22) 1.942 0.471 0.471 weight 1.000 ! spec=NOESY_H2O, no=426, id=406, vol=4.289136e+06
    or (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name HD23)
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name HD22)
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name HD23)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name HD22)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name HD21)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name HD23)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name  HB2) 2.626 0.862 0.862 weight 1.000 ! spec=NOESY_H2O, no=427, id=407, vol=2.243787e+06
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name  HB2)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name  HB2)
assign (segid "   A" and resid   80 and name HD12) (segid "   A" and resid   80 and name   HG) 2.193 0.601 0.601 weight 1.000 ! spec=NOESY_H2O, no=429, id=409, vol=2.903756e+06
    or (segid "   A" and resid   80 and name HD11) (segid "   A" and resid   80 and name   HG)
    or (segid "   A" and resid   80 and name HD13) (segid "   A" and resid   80 and name   HG)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD22) 3.768 1.775 1.775 weight 1.000 ! spec=NOESY_H2O, no=447, id=415, vol=1.484438e+06
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name   HA) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY_H2O, no=452, id=419, vol=9.699420e+05
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB2) 3.426 1.467 1.467 weight 1.000 ! spec=NOESY_H2O, no=453, id=420, vol=1.007615e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 4.169 2.173 2.173 weight 1.000 ! spec=NOESY_H2O, no=454, id=421, vol=1.131652e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY_H2O, no=456, id=423, vol=6.921258e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG22) 4.359 2.375 2.375 weight 1.000 ! spec=NOESY_H2O, no=463, id=427, vol=4.934755e+05
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HB) 3.757 1.765 1.765 weight 1.000 ! spec=NOESY_H2O, no=468, id=432, vol=9.215591e+05
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HB1) 3.881 1.883 1.883 weight 1.000 ! spec=NOESY_H2O, no=470, id=433, vol=1.505394e+06
assign (segid "   A" and resid  128 and name  HD1) (segid "   A" and resid   80 and name   HG) 4.417 2.438 2.438 weight 1.000 ! spec=NOESY_H2O, no=492, id=436, vol=2.868649e+05
    or (segid "   A" and resid  128 and name  HD2) (segid "   A" and resid   80 and name   HG)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HG2) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY_H2O, no=497, id=438, vol=7.684441e+06
assign (segid "   A" and resid   99 and name  HB1) (segid "   A" and resid  100 and name   HN) 2.752 0.947 0.947 weight 1.000 ! spec=NOESY_H2O, no=499, id=439, vol=2.403436e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   11 and name   HA) 3.552 1.577 1.577 weight 1.000 ! spec=NOESY_H2O, no=501, id=440, vol=7.538561e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name  HB2) 3.061 1.171 1.171 weight 1.000 ! spec=NOESY_H2O, no=504, id=442, vol=1.133040e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name  HB1) 3.237 1.310 1.310 weight 1.000 ! spec=NOESY_H2O, no=505, id=443, vol=1.148663e+06
assign (segid "   A" and resid  109 and name HG22) (segid "   A" and resid  111 and name   HN) 4.102 2.104 2.104 weight 1.000 ! spec=NOESY_H2O, no=507, id=444, vol=4.801968e+05
    or (segid "   A" and resid  109 and name HG21) (segid "   A" and resid  111 and name   HN)
    or (segid "   A" and resid  109 and name HG23) (segid "   A" and resid  111 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   37 and name HG12) 3.328 1.384 2.672 weight 1.000 ! spec=NOESY_H2O, no=508, id=445, vol=7.053643e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   37 and name HG11)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   37 and name HG13)
! using 1.5 times the talos error! 

!    9 T  TALOS PHI = -69.69 +/-  8.04  
ASSIGN (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -69.69   12.06   2

!   10 A  TALOS PHI = -62.10 +/-  4.92  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -62.10   7.38   2

!   11 R  TALOS PHI = -63.23 +/-  4.33  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -63.23   6.50   2

!   12 R  TALOS PHI = -67.42 +/-  6.41  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -67.42   9.62   2

!   13 F  TALOS PHI = -66.94 +/-  2.95  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -66.94   4.43   2

!   14 D  TALOS PHI = -67.88 +/- 13.47  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -67.88   20.21   2

!   16 E  TALOS PHI = -95.68 +/- 17.11  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -68.68   25.66   2

!   17 F  TALOS PHI = -87.70 +/- 14.45  
ASSIGN (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -87.70   21.67   2

!   19 P  TALOS PHI = -57.31 +/-  4.74  
ASSIGN (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -57.31   7.11   2

!   20 R  TALOS PHI = -66.42 +/-  5.94  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -66.42   8.91   2

!   21 I  TALOS PHI = -60.56 +/-  9.52  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -60.56   14.28   2

!   22 A  TALOS PHI = -62.73 +/-  5.86  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -62.73   8.79   2

!   23 R  TALOS PHI = -66.87 +/-  2.52  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -66.87   3.78   2

!   24 A  TALOS PHI = -61.80 +/-  5.64  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -61.80   8.46   2

!   25 I  TALOS PHI = -64.51 +/-  4.97  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -64.51   7.46   2

!   26 A  TALOS PHI = -61.94 +/-  2.55  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -61.94   3.82   2

!   27 D  TALOS PHI = -64.33 +/-  4.27  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -64.33   6.40   2

!   28 L  TALOS PHI = -65.68 +/-  5.68  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -65.68   8.52   2

!   29 L  TALOS PHI = -89.65 +/- 16.58  
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -89.65   24.87   2

!   32 R  TALOS PHI = -91.39 +/- 22.44  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -91.39   33.66   2

!   33 A  TALOS PHI = -132.55 +/- 19.02  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -132.55   28.53   2

!   34 H  TALOS PHI = -110.07 +/- 15.63  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -110.07   23.45   2

!   35 T  TALOS PHI = -135.35 +/- 15.21  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -135.35   22.82   2

!   40 Y  TALOS PHI = -65.93 +/- 13.53  
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -65.93   20.29   2

!   47 T  TALOS PHI = -77.72 +/- 11.31  
ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -77.72   16.96   2

!   49 V  TALOS PHI = -106.14 +/-  9.89  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -106.14   14.84   2

!   50 R  TALOS PHI = -117.31 +/- 19.88  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -117.31   29.82   2

!   51 I  TALOS PHI = -124.33 +/-  9.66  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -124.33   14.49   2

!   52 V  TALOS PHI = -123.63 +/-  6.95  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -123.63   10.43   2

!   62 Y  TALOS PHI = -85.36 +/- 11.87  
ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00  -85.36   17.80   2

!   66 L  TALOS PHI = -89.52 +/- 23.78  
ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -89.52   35.67   2

!   67 N  TALOS PHI = -110.98 +/- 38.18  
ASSIGN (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -110.98   57.27   2

!   68 L  TALOS PHI = -114.83 +/- 20.02  
ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -114.83   30.03   2

!   69 A  TALOS PHI = -125.25 +/-  5.75  
ASSIGN (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -125.25   8.62   2

!   70 L  TALOS PHI = -109.47 +/- 22.15  
ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -109.47   33.22   2

!   71 T  TALOS PHI = -141.54 +/- 18.43  
ASSIGN (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -141.54   27.64   2

!   72 W  TALOS PHI = -132.84 +/- 20.78  
ASSIGN (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.00  -132.84   31.17   2

!   73 N  TALOS PHI = -82.81 +/- 16.98  
ASSIGN (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.00  -82.81   25.47   2

!   74 T  TALOS PHI = -55.60 +/-  3.18  
ASSIGN (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -55.60   4.77   2

!   75 D  TALOS PHI = -58.71 +/-  7.05  
ASSIGN (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -58.71   10.57   2

!   76 E  TALOS PHI = -68.47 +/-  6.62  
ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -68.47   9.93   2

!   77 I  TALOS PHI = -65.84 +/-  4.66  
ASSIGN (resid   76 and name C ) (resid   77 and name N )
       (resid   77 and name CA) (resid   77 and name C )  1.00  -65.84   6.99   2

!   78 E  TALOS PHI = -64.70 +/-  5.58  
ASSIGN (resid   77 and name C ) (resid   78 and name N )
       (resid   78 and name CA) (resid   78 and name C )  1.00  -64.70   8.37   2

!   79 R  TALOS PHI = -63.28 +/-  5.59  
ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -63.28   8.38   2

!   80 L  TALOS PHI = -71.35 +/- 14.47  
ASSIGN (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -71.35   21.71   2

!   81 M  TALOS PHI = -93.04 +/- 18.38  
ASSIGN (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -93.04   27.57   2

!   86 A  TALOS PHI = -67.24 +/-  6.91  
ASSIGN (resid   85 and name C ) (resid   86 and name N )
       (resid   86 and name CA) (resid   86 and name C )  1.00  -67.24   10.37   2

!   87 A  TALOS PHI = -66.05 +/-  2.99  
ASSIGN (resid   86 and name C ) (resid   87 and name N )
       (resid   87 and name CA) (resid   87 and name C )  1.00  -66.05   4.49   2

!   88 R  TALOS PHI = -64.12 +/-  5.14  
ASSIGN (resid   87 and name C ) (resid   88 and name N )
       (resid   88 and name CA) (resid   88 and name C )  1.00  -64.12   7.71   2

!   89 F  TALOS PHI = -64.68 +/-  3.60  
ASSIGN (resid   88 and name C ) (resid   89 and name N )
       (resid   89 and name CA) (resid   89 and name C )  1.00  -64.68   5.40   2

!   90 E  TALOS PHI = -60.08 +/-  5.01  
ASSIGN (resid   89 and name C ) (resid   90 and name N )
       (resid   90 and name CA) (resid   90 and name C )  1.00  -60.08   7.51   2

!   92 Y  TALOS PHI = -67.56 +/- 10.31  
ASSIGN (resid   91 and name C ) (resid   92 and name N )
       (resid   92 and name CA) (resid   92 and name C )  1.00  -67.56   15.46   2

!   93 L  TALOS PHI = -61.11 +/-  7.18  
ASSIGN (resid   92 and name C ) (resid   93 and name N )
       (resid   93 and name CA) (resid   93 and name C )  1.00  -61.11   10.77   2

!   94 A  TALOS PHI = -64.11 +/-  7.61  
ASSIGN (resid   93 and name C ) (resid   94 and name N )
       (resid   94 and name CA) (resid   94 and name C )  1.00  -64.11   11.42   2

!   96 L  TALOS PHI = -56.36 +/-  6.71  
ASSIGN (resid   95 and name C ) (resid   96 and name N )
       (resid   96 and name CA) (resid   96 and name C )  1.00  -56.36   10.06   2

!   99 K  TALOS PHI = -66.07 +/-  3.67  
ASSIGN (resid   98 and name C ) (resid   99 and name N )
       (resid   99 and name CA) (resid   99 and name C )  1.00  -66.07   5.50   2

!  101 A  TALOS PHI = -63.04 +/-  3.11  
ASSIGN (resid  100 and name C ) (resid  101 and name N )
       (resid  101 and name CA) (resid  101 and name C )  1.00  -63.04   4.67   2

!  102 A  TALOS PHI = -66.71 +/-  8.68  
ASSIGN (resid  101 and name C ) (resid  102 and name N )
       (resid  102 and name CA) (resid  102 and name C )  1.00  -66.71   13.02   2

!  104 E  TALOS PHI = -63.32 +/-  4.42  
ASSIGN (resid  103 and name C ) (resid  104 and name N )
       (resid  104 and name CA) (resid  104 and name C )  1.00  -63.32   6.63   2

!  105 N  TALOS PHI = -69.28 +/-  6.76  
ASSIGN (resid  104 and name C ) (resid  105 and name N )
       (resid  105 and name CA) (resid  105 and name C )  1.00  -69.28   10.14   2

!  106 A  TALOS PHI = -73.19 +/- 10.79  
ASSIGN (resid  105 and name C ) (resid  106 and name N )
       (resid  106 and name CA) (resid  106 and name C )  1.00  -73.19   16.18   2

!  107 R  TALOS PHI = -106.21 +/-  8.15  
ASSIGN (resid  106 and name C ) (resid  107 and name N )
       (resid  107 and name CA) (resid  107 and name C )  1.00  -106.21   12.23   2

!  108 G  TALOS PHI = 71.47 +/- 13.60  
ASSIGN (resid  107 and name C ) (resid  108 and name N )
       (resid  108 and name CA) (resid  108 and name C )  1.00   71.47   20.40   2

!  109 V  TALOS PHI = -114.96 +/- 16.92  
ASSIGN (resid  108 and name C ) (resid  109 and name N )
       (resid  109 and name CA) (resid  109 and name C )  1.00  -114.96   25.38   2

!  115 T  TALOS PHI = -132.88 +/- 12.27  
ASSIGN (resid  114 and name C ) (resid  115 and name N )
       (resid  115 and name CA) (resid  115 and name C )  1.00  -132.88   18.41   2

!  119 A  TALOS PHI = -84.76 +/-  7.90  
ASSIGN (resid  118 and name C ) (resid  119 and name N )
       (resid  119 and name CA) (resid  119 and name C )  1.00  -84.76   11.85   2

!  120 L  TALOS PHI = -139.57 +/- 18.34  
ASSIGN (resid  119 and name C ) (resid  120 and name N )
       (resid  120 and name CA) (resid  120 and name C )  1.00  -139.57   27.51   2

!  122 L  TALOS PHI = -99.95 +/- 14.60  
ASSIGN (resid  121 and name C ) (resid  122 and name N )
       (resid  122 and name CA) (resid  122 and name C )  1.00  -99.95   21.90   2

!  123 L  TALOS PHI = -108.08 +/- 25.59  
ASSIGN (resid  122 and name C ) (resid  123 and name N )
       (resid  123 and name CA) (resid  123 and name C )  1.00  -108.08   38.38   2

!  124 G  TALOS PHI = -121.85 +/- 28.13  
ASSIGN (resid  123 and name C ) (resid  124 and name N )
       (resid  124 and name CA) (resid  124 and name C )  1.00  -121.85   42.20   2

!  125 G  TALOS PHI = 84.22 +/- 18.82  
ASSIGN (resid  124 and name C ) (resid  125 and name N )
       (resid  125 and name CA) (resid  125 and name C )  1.00   84.22   28.23   2

!  129 E  TALOS PHI = -75.80 +/- 15.55  
ASSIGN (resid  128 and name C ) (resid  129 and name N )
       (resid  129 and name CA) (resid  129 and name C )  1.00  -75.80   23.33   2

! using 1.5 times the talos error! 

!    9 T  TALOS PSI = -40.73 +/-  6.86  
ASSIGN (resid    9 and name N ) (resid    9 and name CA )
       (resid    9 and name C) (resid   10 and name N )  1.00  -40.73   10.29   2

!   10 A  TALOS PSI = -44.53 +/-  4.17  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00  -44.53   6.25   2

!   11 R  TALOS PSI = -40.31 +/-  3.80  
ASSIGN (resid   11 and name N ) (resid   11 and name CA )
       (resid   11 and name C) (resid   12 and name N )  1.00  -40.31   5.70   2

!   12 R  TALOS PSI = -34.59 +/-  9.48  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00  -34.59   14.22   2

!   13 F  TALOS PSI = -43.39 +/-  3.70  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00  -43.39   5.55   2

!   14 D  TALOS PSI = -38.93 +/- 13.44  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00  -38.93   20.16   2

!   15 T  TALOS PSI = -22.27 +/- 24.00  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00  -22.27   36.00   2

!   16 E  TALOS PSI = -12.23 +/- 20.78  
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00  -12.23   31.17   2

!   19 P  TALOS PSI = -31.63 +/- 12.55  
ASSIGN (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.00  -31.63   18.83   2

!   20 R  TALOS PSI = -37.21 +/-  7.35  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00  -37.21   11.02   2

!   21 I  TALOS PSI = -45.81 +/-  7.19  
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.00  -45.81   10.79   2

!   22 A  TALOS PSI = -41.68 +/-  6.63  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00  -41.68   9.95   2

!   23 R  TALOS PSI = -40.65 +/-  5.52  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00  -40.65   8.28   2

!   24 A  TALOS PSI = -40.33 +/-  4.04  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00  -40.33   6.06   2

!   25 I  TALOS PSI = -43.69 +/-  5.12  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00  -43.69   7.68   2

!   26 A  TALOS PSI = -40.40 +/-  4.54  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -40.40   6.81   2

!   27 D  TALOS PSI = -39.19 +/-  5.42  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -39.19   8.13   2

!   28 L  TALOS PSI = -28.36 +/- 10.49  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -28.36   15.73   2

!   29 L  TALOS PSI = -0.97 +/- 11.68  
ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00  -0.97   17.52   2

!   32 R  TALOS PSI = -18.28 +/- 30.39  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -18.27   45.58   2

!   33 A  TALOS PSI = 153.90 +/- 16.47  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00   153.90   24.70   2

!   34 H  TALOS PSI = 133.44 +/- 15.81  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00   133.44   23.71   2

!   35 T  TALOS PSI = 154.62 +/- 10.89  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00   154.62   16.34   2

!   40 Y  TALOS PSI = 128.42 +/-  9.26  
ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00   128.42   13.89   2

!   47 T  TALOS PSI = 133.53 +/-  7.18  
ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00   133.53   10.77   2

!   49 V  TALOS PSI = 127.18 +/-  4.46  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00   127.18   6.69   2

!   50 R  TALOS PSI = 142.45 +/- 22.61  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00   142.45   33.91   2

!   51 I  TALOS PSI = 130.83 +/- 12.13  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00   130.83   18.20   2

!   52 V  TALOS PSI = 138.79 +/-  9.40  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00   138.79   14.10   2

!   62 Y  TALOS PSI = 149.86 +/- 16.85  
ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00   149.86   25.28   2

!   66 L  TALOS PSI = 142.48 +/- 17.11  
ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00   142.48   25.66   2

!   67 N  TALOS PSI = 119.33 +/- 36.83  
ASSIGN (resid   67 and name N ) (resid   67 and name CA )
       (resid   67 and name C) (resid   68 and name N )  1.00   119.33   55.24   2

!   68 L  TALOS PSI = 138.57 +/- 12.86  
ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00   138.57   19.29   2

!   69 A  TALOS PSI = 119.57 +/- 12.51  
ASSIGN (resid   69 and name N ) (resid   69 and name CA )
       (resid   69 and name C) (resid   70 and name N )  1.00   119.57   18.77   2

!   70 L  TALOS PSI = 132.90 +/- 21.02  
ASSIGN (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.00   132.90   31.53   2

!   71 T  TALOS PSI = 159.79 +/-  5.65  
ASSIGN (resid   71 and name N ) (resid   71 and name CA )
       (resid   71 and name C) (resid   72 and name N )  1.00   159.79   8.48   2

!   72 W  TALOS PSI = 138.57 +/- 18.06  
ASSIGN (resid   72 and name N ) (resid   72 and name CA )
       (resid   72 and name C) (resid   73 and name N )  1.00   138.57   27.09   2

!   73 N  TALOS PSI = 121.15 +/- 27.42  
ASSIGN (resid   73 and name N ) (resid   73 and name CA )
       (resid   73 and name C) (resid   74 and name N )  1.00   121.15   41.13   2

!   74 T  TALOS PSI = -45.23 +/- 11.24  
ASSIGN (resid   74 and name N ) (resid   74 and name CA )
       (resid   74 and name C) (resid   75 and name N )  1.00  -45.23   16.86   2

!   75 D  TALOS PSI = -42.81 +/-  5.22  
ASSIGN (resid   75 and name N ) (resid   75 and name CA )
       (resid   75 and name C) (resid   76 and name N )  1.00  -42.81   7.83   2

!   76 E  TALOS PSI = -39.81 +/-  8.12  
ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00  -39.81   12.18   2

!   77 I  TALOS PSI = -42.16 +/-  4.38  
ASSIGN (resid   77 and name N ) (resid   77 and name CA )
       (resid   77 and name C) (resid   78 and name N )  1.00  -42.16   6.57   2

!   78 E  TALOS PSI = -41.35 +/-  7.28  
ASSIGN (resid   78 and name N ) (resid   78 and name CA )
       (resid   78 and name C) (resid   79 and name N )  1.00  -41.35   10.92   2

!   79 R  TALOS PSI = -39.49 +/-  6.46  
ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00  -39.49   9.69   2

!   80 L  TALOS PSI = -27.91 +/- 15.10  
ASSIGN (resid   80 and name N ) (resid   80 and name CA )
       (resid   80 and name C) (resid   81 and name N )  1.00  -27.91   22.65   2

!   81 M  TALOS PSI =  4.30 +/- 14.33  
ASSIGN (resid   81 and name N ) (resid   81 and name CA )
       (resid   81 and name C) (resid   82 and name N )  1.00   4.30   21.50   2

!   86 A  TALOS PSI = -42.03 +/- 11.47  
ASSIGN (resid   86 and name N ) (resid   86 and name CA )
       (resid   86 and name C) (resid   87 and name N )  1.00  -42.03   17.21   2

!   87 A  TALOS PSI = -40.09 +/-  4.82  
ASSIGN (resid   87 and name N ) (resid   87 and name CA )
       (resid   87 and name C) (resid   88 and name N )  1.00  -40.09   7.23   2

!   88 R  TALOS PSI = -38.12 +/-  4.86  
ASSIGN (resid   88 and name N ) (resid   88 and name CA )
       (resid   88 and name C) (resid   89 and name N )  1.00  -38.12   7.29   2

!   89 F  TALOS PSI = -43.45 +/-  3.56  
ASSIGN (resid   89 and name N ) (resid   89 and name CA )
       (resid   89 and name C) (resid   90 and name N )  1.00  -43.45   5.34   2

!   90 E  TALOS PSI = -42.61 +/-  5.97  
ASSIGN (resid   90 and name N ) (resid   90 and name CA )
       (resid   90 and name C) (resid   91 and name N )  1.00  -42.61   8.96   2

!   92 Y  TALOS PSI = -41.66 +/- 10.47  
ASSIGN (resid   92 and name N ) (resid   92 and name CA )
       (resid   92 and name C) (resid   93 and name N )  1.00  -41.66   15.71   2

!   93 L  TALOS PSI = -41.06 +/-  8.89  
ASSIGN (resid   93 and name N ) (resid   93 and name CA )
       (resid   93 and name C) (resid   94 and name N )  1.00  -41.06   13.34   2

!   94 A  TALOS PSI = -33.73 +/-  9.88  
ASSIGN (resid   94 and name N ) (resid   94 and name CA )
       (resid   94 and name C) (resid   95 and name N )  1.00  -33.73   14.82   2

!   96 L  TALOS PSI = -41.27 +/-  9.34  
ASSIGN (resid   96 and name N ) (resid   96 and name CA )
       (resid   96 and name C) (resid   97 and name N )  1.00  -41.27   14.01   2

!   99 K  TALOS PSI = -39.22 +/-  7.09  
ASSIGN (resid   99 and name N ) (resid   99 and name CA )
       (resid   99 and name C) (resid  100 and name N )  1.00  -39.22   10.63   2

!  101 A  TALOS PSI = -40.70 +/-  6.25  
ASSIGN (resid  101 and name N ) (resid  101 and name CA )
       (resid  101 and name C) (resid  102 and name N )  1.00  -40.70   9.38   2

!  102 A  TALOS PSI = -41.13 +/-  5.75  
ASSIGN (resid  102 and name N ) (resid  102 and name CA )
       (resid  102 and name C) (resid  103 and name N )  1.00  -41.13   8.62   2

!  104 E  TALOS PSI = -40.54 +/-  6.43  
ASSIGN (resid  104 and name N ) (resid  104 and name CA )
       (resid  104 and name C) (resid  105 and name N )  1.00  -40.54   9.64   2

!  105 N  TALOS PSI = -32.00 +/- 15.12  
ASSIGN (resid  105 and name N ) (resid  105 and name CA )
       (resid  105 and name C) (resid  106 and name N )  1.00  -32.00   22.68   2

!  106 A  TALOS PSI = -31.02 +/- 10.56  
ASSIGN (resid  106 and name N ) (resid  106 and name CA )
       (resid  106 and name C) (resid  107 and name N )  1.00  -31.02   15.84   2

!  107 R  TALOS PSI =  7.60 +/- 10.55  
ASSIGN (resid  107 and name N ) (resid  107 and name CA )
       (resid  107 and name C) (resid  108 and name N )  1.00   7.60   15.83   2

!  108 G  TALOS PSI = 28.32 +/- 15.54  
ASSIGN (resid  108 and name N ) (resid  108 and name CA )
       (resid  108 and name C) (resid  109 and name N )  1.00   28.32   23.31   2

!  109 V  TALOS PSI = 138.85 +/- 19.73  
ASSIGN (resid  109 and name N ) (resid  109 and name CA )
       (resid  109 and name C) (resid  110 and name N )  1.00   138.85   29.59   2

!  115 T  TALOS PSI = 169.21 +/- 12.77  
ASSIGN (resid  115 and name N ) (resid  115 and name CA )
       (resid  115 and name C) (resid  116 and name N )  1.00   169.21   19.16   2

!  119 A  TALOS PSI = -38.67 +/- 19.84  
ASSIGN (resid  119 and name N ) (resid  119 and name CA )
       (resid  119 and name C) (resid  120 and name N )  1.00  -38.67   29.76   2

!  120 L  TALOS PSI = 137.99 +/-  6.95  
ASSIGN (resid  120 and name N ) (resid  120 and name CA )
       (resid  120 and name C) (resid  121 and name N )  1.00   137.99   10.43   2

!  122 L  TALOS PSI = 118.25 +/- 10.39  
ASSIGN (resid  122 and name N ) (resid  122 and name CA )
       (resid  122 and name C) (resid  123 and name N )  1.00   118.25   15.59   2

!  123 L  TALOS PSI = 126.24 +/- 37.56  
ASSIGN (resid  123 and name N ) (resid  123 and name CA )
       (resid  123 and name C) (resid  124 and name N )  1.00   126.24   56.34   2

!  124 G  TALOS PSI = 144.70 +/- 31.62  
ASSIGN (resid  124 and name N ) (resid  124 and name CA )
       (resid  124 and name C) (resid  125 and name N )  1.00   144.70   47.43   2

!  125 G  TALOS PSI =  8.39 +/- 16.06  
ASSIGN (resid  125 and name N ) (resid  125 and name CA )
       (resid  125 and name C) (resid  126 and name N )  1.00   8.39   24.09   2

!  129 E  TALOS PSI = 134.12 +/- 18.34  
ASSIGN (resid  129 and name N ) (resid  129 and name CA )
       (resid  129 and name C) (resid  130 and name N )  1.00   134.12   27.51   2

assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 7    and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 8    and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 9    and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 10   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 17   and name  O   ))
      2.200     0.470     0.500 

assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 18   and name  O   ))
      2.200     0.470     0.500 

assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 19   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 20   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 21   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 22   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 23   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 24   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 50   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 48   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 38   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 36   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 68   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 34   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 66   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 51   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 121  and name  O   ))
      2.200     0.470     0.500


assi 
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 49   and name  O   ))
      2.200     0.470     0.500


assi 
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 123  and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 126  and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 73   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 73   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 74   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 75   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 77   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 78   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 79   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 82   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 82   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 83   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 85   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 86   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 87   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 89   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 90   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 95   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 95   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 96   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 97   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 98   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 99   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 100  and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 101  and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 104  and name  O  ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 104  and name  OE1 ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 110  and name  OD1 ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 110  and name  OD1 ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 110  and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 67   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 69   and name  O   ))
      2.200     0.470     0.500assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  8  and name HN   )
       ( resid  8  and name N  ) -7.19092 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  9  and name HN   )
       ( resid  9  and name N  ) -1.41389 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  10  and name HN   )
       ( resid  10  and name N  ) -7.61675 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  14  and name HN   )
       ( resid  14  and name N  ) -11.20446 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  15  and name HN   )
       ( resid  15  and name N  ) -14.36621 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  16  and name HN   )
       ( resid  16  and name N  ) 3.69418 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name HN   )
       ( resid  18  and name N  ) -11.26532 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  25  and name HN   )
       ( resid  25  and name N  ) -10.53562 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name HN   )
       ( resid  28  and name N  ) -9.74507 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name HN   )
       ( resid  29  and name N  ) -6.40045 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  37  and name HN   )
       ( resid  37  and name N  ) 20.17396 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name HN   )
       ( resid  38  and name N  ) 13.363 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  48  and name HN   )
       ( resid  48  and name N  ) 17.9235 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name HN   )
       ( resid  50  and name N  ) 16.829 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name HN   )
       ( resid  53  and name N  ) 14.214 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name HN   )
       ( resid  68  and name N  ) 17.31548 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  69  and name HN   )
       ( resid  69  and name N  ) 17.1939 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  70  and name HN   )
       ( resid  70  and name N  ) 20.05205 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  71  and name HN   )
       ( resid  71  and name N  ) 14.761 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  75  and name HN   )
       ( resid  75  and name N  ) 4.1805 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  76  and name HN   )
       ( resid  76  and name N  ) -1.41391 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  77  and name HN   )
       ( resid  77  and name N  ) 2.23449 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  79  and name HN   )
       ( resid  79  and name N  ) -1.71805 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  81  and name HN   )
       ( resid  81  and name N  ) 13.424 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  85  and name HN   )
       ( resid  85  and name N  ) -10.41397 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  86  and name HN   )
       ( resid  86  and name N  ) -18.19763 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  87  and name HN   )
       ( resid  87  and name N  ) -21.78548 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  88  and name HN   )
       ( resid  88  and name N  ) -12.90705 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  90  and name HN   )
       ( resid  90  and name N  ) -25.37321 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  92  and name HN   )
       ( resid  92  and name N  ) -9.0153 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  94  and name HN   )
       ( resid  94  and name N  ) -24.70422 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  96  and name HN   )
       ( resid  96  and name N  ) 3.14661 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  98  and name HN   )
       ( resid  98  and name N  ) -11.265 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  99  and name HN   )
       ( resid  99  and name N  ) 9.71431 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  102  and name HN   )
       ( resid  102  and name N  ) -4.02891 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  105  and name HN   )
       ( resid  105  and name N  ) -8.65034 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  106  and name HN   )
       ( resid  106  and name N  ) 7.16011 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  107  and name HN   )
       ( resid  107  and name N  ) 9.59296 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  109  and name HN   )
       ( resid  109  and name N  ) -1.596 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  110  and name HN   )
       ( resid  110  and name N  ) 2.843 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  116  and name HN   )
       ( resid  116  and name N  ) -5.792 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  120  and name HN   )
       ( resid  120  and name N  ) 17.74141 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  121  and name HN   )
       ( resid  121  and name N  ) 18.41011 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  122  and name HN   )
       ( resid  122  and name N  ) 13.48463 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  123  and name HN   )
       ( resid  123  and name N  ) 18.41011 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  124  and name HN   )
       ( resid  124  and name N  ) 9.65342 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  125  and name HN   )
       ( resid  125  and name N  ) 10.32222 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  126  and name HN   )
       ( resid  126  and name N  ) 8.07238 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  127  and name HN   )
       ( resid  127  and name N  ) -9.44061 0.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -25.732  -4.646   9.411
    2    H2   GLY   1           HT2      GLY   1 -26.526  -5.889   8.591
    3    H3   GLY   1           HT3      GLY   1 -27.320  -5.047   9.824
    4    HA2  GLY   1           HA1      GLY   1 -28.107  -4.316   7.676
    5    HA3  GLY   1           HA2      GLY   1 -27.274  -3.023   8.527
    6    H    ALA   2           HN       ALA   2 -26.957  -2.022   6.476
    7    HA   ALA   2           HA       ALA   2 -25.361  -3.345   4.481
    8    HB1  ALA   2           HB1      ALA   2 -27.111  -1.728   3.871
    9    HB2  ALA   2           HB2      ALA   2 -25.528  -1.264   3.245
   10    HB3  ALA   2           HB3      ALA   2 -26.189  -0.450   4.663
   11    H    MET   3           HN       MET   3 -23.532  -3.833   5.855
   12    HA   MET   3           HA       MET   3 -21.719  -1.521   6.112
   13    HB2  MET   3           HB2      MET   3 -20.520  -2.761   7.857
   14    HB3  MET   3           HB1      MET   3 -22.212  -2.565   8.293
   15    HG2  MET   3           HG2      MET   3 -22.684  -4.846   7.691
   16    HG3  MET   3           HG1      MET   3 -21.048  -5.056   7.069
   17    HE1  MET   3           HE1      MET   3 -18.891  -5.130   8.556
   18    HE2  MET   3           HE2      MET   3 -18.882  -4.931  10.308
   19    HE3  MET   3           HE3      MET   3 -19.277  -3.565   9.267
   20    H    GLY   4           HN       GLY   4 -19.352  -2.212   5.906
   21    HA2  GLY   4           HA2      GLY   4 -19.078  -3.426   3.316
   22    HA3  GLY   4           HA1      GLY   4 -17.786  -2.764   4.304
   23    H    MET   5           HN       MET   5 -20.036  -5.508   4.290
   24    HA   MET   5           HA       MET   5 -17.748  -7.260   4.901
   25    HB2  MET   5           HB2      MET   5 -19.168  -8.661   6.278
   26    HB3  MET   5           HB1      MET   5 -19.224  -7.015   6.886
   27    HG2  MET   5           HG2      MET   5 -21.380  -6.682   5.774
   28    HG3  MET   5           HG1      MET   5 -21.324  -8.340   5.180
   29    HE1  MET   5           HE1      MET   5 -21.372 -10.480   6.780
   30    HE2  MET   5           HE2      MET   5 -21.499 -10.383   8.536
   31    HE3  MET   5           HE3      MET   5 -20.031  -9.835   7.726
   32    H    SER   6           HN       SER   6 -19.106  -6.390   2.426
   33    HA   SER   6           HA       SER   6 -20.343  -8.875   1.504
   34    HB2  SER   6           HB2      SER   6 -21.665  -6.875   1.096
   35    HB3  SER   6           HB1      SER   6 -20.292  -6.078   0.335
   36    HG   SER   6           HG       SER   6 -21.938  -7.073  -1.083
   37    HA   PRO   7           HA       PRO   7 -16.700  -9.893  -0.872
   38    HB2  PRO   7           HB2      PRO   7 -17.905 -11.416  -2.795
   39    HB3  PRO   7           HB1      PRO   7 -17.534 -12.008  -1.174
   40    HG2  PRO   7           HG2      PRO   7 -20.121 -11.000  -2.282
   41    HG3  PRO   7           HG1      PRO   7 -19.822 -12.381  -1.209
   42    HD2  PRO   7           HD2      PRO   7 -20.751 -10.009  -0.298
   43    HD3  PRO   7           HD1      PRO   7 -19.682 -11.042   0.674
   44    H    ASP   8           HN       ASP   8 -19.427  -8.195  -1.966
   45    HA   ASP   8           HA       ASP   8 -18.366  -7.497  -4.576
   46    HB2  ASP   8           HB2      ASP   8 -20.800  -7.569  -4.263
   47    HB3  ASP   8           HB1      ASP   8 -20.687  -6.346  -3.001
   48    H    THR   9           HN       THR   9 -18.505  -6.203  -1.337
   49    HA   THR   9           HA       THR   9 -17.546  -3.601  -1.874
   50    HB   THR   9           HB       THR   9 -17.233  -5.230   0.658
   51    HG1  THR   9           HG1      THR   9 -19.402  -3.776  -0.419
   52   HG21  THR   9          HG21      THR   9 -15.847  -3.218   0.613
   53   HG22  THR   9          HG22      THR   9 -17.165  -3.045   1.774
   54   HG23  THR   9          HG23      THR   9 -17.261  -2.246   0.205
   55    H    ALA  10           HN       ALA  10 -15.997  -6.599  -0.809
   56    HA   ALA  10           HA       ALA  10 -13.373  -5.618  -0.688
   57    HB1  ALA  10           HB1      ALA  10 -14.082  -7.694   0.394
   58    HB2  ALA  10           HB2      ALA  10 -12.689  -7.952  -0.655
   59    HB3  ALA  10           HB3      ALA  10 -14.297  -8.443  -1.188
   60    H    ARG  11           HN       ARG  11 -15.242  -7.081  -3.305
   61    HA   ARG  11           HA       ARG  11 -13.112  -7.311  -5.138
   62    HB2  ARG  11           HB2      ARG  11 -15.161  -8.531  -5.520
   63    HB3  ARG  11           HB1      ARG  11 -16.080  -7.034  -5.625
   64    HG2  ARG  11           HG2      ARG  11 -14.997  -6.436  -7.672
   65    HG3  ARG  11           HG1      ARG  11 -13.881  -7.793  -7.531
   66    HD2  ARG  11           HD2      ARG  11 -15.740  -9.353  -7.758
   67    HD3  ARG  11           HD1      ARG  11 -16.869  -8.005  -7.878
   68    HE   ARG  11           HE       ARG  11 -15.511  -7.377  -9.928
   69   HH11  ARG  11          HH11      ARG  11 -15.941 -10.686  -8.855
   70   HH12  ARG  11          HH12      ARG  11 -15.707 -11.361 -10.436
   71   HH21  ARG  11          HH21      ARG  11 -15.233  -8.262 -12.013
   72   HH22  ARG  11          HH22      ARG  11 -15.312  -9.981 -12.232
   73    H    ARG  12           HN       ARG  12 -15.398  -4.709  -4.465
   74    HA   ARG  12           HA       ARG  12 -14.749  -3.028  -6.597
   75    HB2  ARG  12           HB2      ARG  12 -16.691  -2.707  -5.094
   76    HB3  ARG  12           HB1      ARG  12 -15.594  -2.234  -3.805
   77    HG2  ARG  12           HG2      ARG  12 -14.871  -0.304  -5.108
   78    HG3  ARG  12           HG1      ARG  12 -15.954  -0.778  -6.417
   79    HD2  ARG  12           HD2      ARG  12 -17.881  -0.419  -5.038
   80    HD3  ARG  12           HD1      ARG  12 -16.873  -0.169  -3.614
   81    HE   ARG  12           HE       ARG  12 -16.018   1.779  -5.241
   82   HH11  ARG  12          HH11      ARG  12 -19.271   0.785  -4.379
   83   HH12  ARG  12          HH12      ARG  12 -19.922   2.390  -4.489
   84   HH21  ARG  12          HH21      ARG  12 -16.870   3.887  -5.364
   85   HH22  ARG  12          HH22      ARG  12 -18.556   4.156  -5.044
   86    H    PHE  13           HN       PHE  13 -13.298  -3.345  -3.386
   87    HA   PHE  13           HA       PHE  13 -11.448  -1.220  -3.692
   88    HB2  PHE  13           HB2      PHE  13 -12.027  -2.169  -1.489
   89    HB3  PHE  13           HB1      PHE  13 -11.252  -3.681  -1.936
   90    HD1  PHE  13           HD1      PHE  13 -10.611  -0.085  -1.312
   91    HD2  PHE  13           HD2      PHE  13  -8.948  -3.991  -1.638
   92    HE1  PHE  13           HE1      PHE  13  -8.469   0.757  -0.443
   93    HE2  PHE  13           HE2      PHE  13  -6.805  -3.157  -0.771
   94    HZ   PHE  13           HZ       PHE  13  -6.564  -0.782  -0.172
   95    H    ASP  14           HN       ASP  14 -11.184  -4.714  -4.172
   96    HA   ASP  14           HA       ASP  14  -8.488  -4.825  -4.890
   97    HB2  ASP  14           HB2      ASP  14  -9.460  -6.872  -4.343
   98    HB3  ASP  14           HB1      ASP  14 -10.851  -6.599  -5.382
   99    H    THR  15           HN       THR  15 -11.340  -4.209  -6.866
  100    HA   THR  15           HA       THR  15  -9.772  -4.462  -9.289
  101    HB   THR  15           HB       THR  15 -12.131  -5.323  -9.119
  102    HG1  THR  15           HG1      THR  15 -11.905  -5.228 -11.199
  103   HG21  THR  15          HG21      THR  15 -13.193  -3.473  -7.962
  104   HG22  THR  15          HG22      THR  15 -13.957  -3.712  -9.533
  105   HG23  THR  15          HG23      THR  15 -12.817  -2.388  -9.299
  106    H    GLU  16           HN       GLU  16 -11.323  -1.841  -7.454
  107    HA   GLU  16           HA       GLU  16 -10.665   0.033  -9.598
  108    HB2  GLU  16           HB2      GLU  16 -12.950  -0.022  -8.611
  109    HB3  GLU  16           HB1      GLU  16 -12.262   0.506  -7.081
  110    HG2  GLU  16           HG2      GLU  16 -13.148   2.427  -8.108
  111    HG3  GLU  16           HG1      GLU  16 -11.396   2.528  -8.293
  112    H    PHE  17           HN       PHE  17  -9.960  -0.455  -6.146
  113    HA   PHE  17           HA       PHE  17  -8.563   2.119  -6.133
  114    HB2  PHE  17           HB2      PHE  17  -9.507   0.372  -3.858
  115    HB3  PHE  17           HB1      PHE  17  -8.633   1.883  -3.651
  116    HD1  PHE  17           HD2      PHE  17 -11.810   0.383  -4.785
  117    HD2  PHE  17           HD1      PHE  17  -9.722   3.990  -3.905
  118    HE1  PHE  17           HE2      PHE  17 -13.933   1.621  -4.845
  119    HE2  PHE  17           HE1      PHE  17 -11.844   5.231  -3.967
  120    HZ   PHE  17           HZ       PHE  17 -13.951   4.048  -4.437
  121    H    ALA  18           HN       ALA  18  -7.993  -1.287  -5.290
  122    HA   ALA  18           HA       ALA  18  -5.515  -0.915  -4.068
  123    HB1  ALA  18           HB1      ALA  18  -5.191  -3.275  -4.257
  124    HB2  ALA  18           HB2      ALA  18  -6.390  -3.385  -5.543
  125    HB3  ALA  18           HB3      ALA  18  -6.890  -2.962  -3.906
  126    HA   PRO  19           HA       PRO  19  -3.384  -1.864  -8.346
  127    HB2  PRO  19           HB2      PRO  19  -5.421  -0.857 -10.251
  128    HB3  PRO  19           HB1      PRO  19  -4.395  -2.295 -10.359
  129    HG2  PRO  19           HG2      PRO  19  -6.994  -2.524  -9.850
  130    HG3  PRO  19           HG1      PRO  19  -5.812  -3.562  -9.029
  131    HD2  PRO  19           HD2      PRO  19  -7.204  -1.107  -8.004
  132    HD3  PRO  19           HD1      PRO  19  -6.932  -2.664  -7.195
  133    H    ARG  20           HN       ARG  20  -5.536   0.803  -7.738
  134    HA   ARG  20           HA       ARG  20  -4.110   2.755  -9.246
  135    HB2  ARG  20           HB2      ARG  20  -6.459   3.074  -8.648
  136    HB3  ARG  20           HB1      ARG  20  -6.048   3.059  -6.943
  137    HG2  ARG  20           HG2      ARG  20  -6.479   5.313  -7.777
  138    HG3  ARG  20           HG1      ARG  20  -4.829   5.132  -7.182
  139    HD2  ARG  20           HD2      ARG  20  -3.963   5.024  -9.390
  140    HD3  ARG  20           HD1      ARG  20  -5.574   4.879 -10.086
  141    HE   ARG  20           HE       ARG  20  -5.891   7.221  -9.098
  142   HH11  ARG  20          HH11      ARG  20  -2.859   5.997 -10.360
  143   HH12  ARG  20          HH12      ARG  20  -2.261   7.566 -10.793
  144   HH21  ARG  20          HH21      ARG  20  -5.117   9.280  -9.694
  145   HH22  ARG  20          HH22      ARG  20  -3.553   9.437 -10.433
  146    H    ILE  21           HN       ILE  21  -4.073   1.673  -5.897
  147    HA   ILE  21           HA       ILE  21  -2.192   3.590  -4.970
  148    HB   ILE  21           HB       ILE  21  -2.825   0.847  -3.859
  149   HG12  ILE  21          HG12      ILE  21  -3.895   3.556  -3.025
  150   HG13  ILE  21          HG11      ILE  21  -4.774   2.417  -4.037
  151   HG21  ILE  21          HG21      ILE  21  -1.873   1.660  -1.772
  152   HG22  ILE  21          HG22      ILE  21  -1.510   3.214  -2.521
  153   HG23  ILE  21          HG23      ILE  21  -0.680   1.755  -3.067
  154   HD11  ILE  21          HD11      ILE  21  -3.921   1.982  -1.181
  155   HD12  ILE  21          HD12      ILE  21  -4.742   0.792  -2.192
  156   HD13  ILE  21          HD13      ILE  21  -5.557   2.295  -1.760
  157    H    ALA  22           HN       ALA  22  -1.922   0.212  -6.010
  158    HA   ALA  22           HA       ALA  22   0.799  -0.145  -5.519
  159    HB1  ALA  22           HB1      ALA  22   0.641  -2.044  -7.054
  160    HB2  ALA  22           HB2      ALA  22  -0.910  -1.447  -7.634
  161    HB3  ALA  22           HB3      ALA  22  -0.743  -1.984  -5.964
  162    H    ARG  23           HN       ARG  23  -0.842   0.899  -8.478
  163    HA   ARG  23           HA       ARG  23   1.541   1.037 -10.020
  164    HB2  ARG  23           HB2      ARG  23  -0.705   0.681 -10.986
  165    HB3  ARG  23           HB1      ARG  23  -1.158   2.309 -10.508
  166    HG2  ARG  23           HG2      ARG  23   0.432   3.259 -12.032
  167    HG3  ARG  23           HG1      ARG  23   1.063   1.657 -12.430
  168    HD2  ARG  23           HD2      ARG  23  -1.064   1.021 -13.391
  169    HD3  ARG  23           HD1      ARG  23  -1.776   2.555 -12.904
  170    HE   ARG  23           HE       ARG  23   0.465   3.036 -14.538
  171   HH11  ARG  23          HH11      ARG  23  -2.800   1.794 -14.721
  172   HH12  ARG  23          HH12      ARG  23  -3.033   2.285 -16.368
  173   HH21  ARG  23          HH21      ARG  23   0.153   3.708 -16.700
  174   HH22  ARG  23          HH22      ARG  23  -1.357   3.390 -17.490
  175    H    ALA  24           HN       ALA  24  -0.327   3.386  -8.163
  176    HA   ALA  24           HA       ALA  24   1.024   5.697  -9.050
  177    HB1  ALA  24           HB1      ALA  24   0.090   6.796  -7.096
  178    HB2  ALA  24           HB2      ALA  24  -0.324   5.232  -6.394
  179    HB3  ALA  24           HB3      ALA  24  -1.123   5.776  -7.868
  180    H    ILE  25           HN       ILE  25   1.581   3.531  -6.309
  181    HA   ILE  25           HA       ILE  25   3.750   4.971  -5.212
  182    HB   ILE  25           HB       ILE  25   3.044   2.040  -4.968
  183   HG12  ILE  25          HG12      ILE  25   1.331   3.559  -4.073
  184   HG13  ILE  25          HG11      ILE  25   2.136   2.687  -2.773
  185   HG21  ILE  25          HG21      ILE  25   4.516   1.999  -3.021
  186   HG22  ILE  25          HG22      ILE  25   4.987   3.669  -3.332
  187   HG23  ILE  25          HG23      ILE  25   5.410   2.403  -4.485
  188   HD11  ILE  25          HD11      ILE  25   2.598   5.545  -3.587
  189   HD12  ILE  25          HD12      ILE  25   3.535   4.686  -2.366
  190   HD13  ILE  25          HD13      ILE  25   1.811   4.965  -2.121
  191    H    ALA  26           HN       ALA  26   3.613   2.206  -7.434
  192    HA   ALA  26           HA       ALA  26   6.355   1.718  -7.620
  193    HB1  ALA  26           HB1      ALA  26   4.661   0.169  -8.452
  194    HB2  ALA  26           HB2      ALA  26   5.843   0.554  -9.703
  195    HB3  ALA  26           HB3      ALA  26   4.247   1.305  -9.736
  196    H    ASP  27           HN       ASP  27   4.273   3.854  -9.510
  197    HA   ASP  27           HA       ASP  27   6.324   4.711 -11.288
  198    HB2  ASP  27           HB2      ASP  27   3.995   4.835 -11.951
  199    HB3  ASP  27           HB1      ASP  27   3.636   5.915 -10.610
  200    H    LEU  28           HN       LEU  28   5.109   5.852  -8.209
  201    HA   LEU  28           HA       LEU  28   6.337   8.410  -8.259
  202    HB2  LEU  28           HB2      LEU  28   4.444   7.653  -6.753
  203    HB3  LEU  28           HB1      LEU  28   5.625   6.756  -5.829
  204    HG   LEU  28           HG       LEU  28   4.871   9.005  -4.904
  205   HD11  LEU  28          HD11      LEU  28   6.799   7.847  -4.021
  206   HD12  LEU  28          HD12      LEU  28   7.112   9.581  -4.096
  207   HD13  LEU  28          HD13      LEU  28   7.813   8.505  -5.305
  208   HD21  LEU  28          HD21      LEU  28   4.968  10.255  -7.007
  209   HD22  LEU  28          HD22      LEU  28   6.716  10.025  -7.060
  210   HD23  LEU  28          HD23      LEU  28   5.993  10.983  -5.769
  211    H    LEU  29           HN       LEU  29   7.336   5.218  -7.197
  212    HA   LEU  29           HA       LEU  29   9.861   6.192  -6.159
  213    HB2  LEU  29           HB2      LEU  29   8.893   3.362  -6.584
  214    HB3  LEU  29           HB1      LEU  29  10.321   3.835  -5.684
  215    HG   LEU  29           HG       LEU  29   7.478   4.498  -4.928
  216   HD11  LEU  29          HD11      LEU  29   7.845   2.914  -3.091
  217   HD12  LEU  29          HD12      LEU  29   9.419   2.502  -3.775
  218   HD13  LEU  29          HD13      LEU  29   7.944   2.135  -4.669
  219   HD21  LEU  29          HD21      LEU  29   8.935   6.225  -4.141
  220   HD22  LEU  29          HD22      LEU  29  10.103   5.041  -3.555
  221   HD23  LEU  29          HD23      LEU  29   8.528   5.186  -2.775
  222    H    ASN  30           HN       ASN  30   8.853   6.083  -9.133
  223    HA   ASN  30           HA       ASN  30   9.706   5.796 -11.208
  224    HB2  ASN  30           HB2      ASN  30  12.272   6.180  -9.658
  225    HB3  ASN  30           HB1      ASN  30  12.210   6.111 -11.415
  226   HD21  ASN  30          HD21      ASN  30  12.890   8.189 -11.737
  227   HD22  ASN  30          HD22      ASN  30  11.940   9.573 -11.327
  228    H    HIS  31           HN       HIS  31   9.066   3.450  -9.823
  229    HA   HIS  31           HA       HIS  31   9.168   1.210 -10.042
  230    HB2  HIS  31           HB2      HIS  31  10.836   1.909 -12.461
  231    HB3  HIS  31           HB1      HIS  31  10.284   0.278 -12.087
  232    HD1  HIS  31           HD1      HIS  31   7.607  -0.029 -12.025
  233    HD2  HIS  31           HD2      HIS  31   9.021   3.452 -13.804
  234    HE1  HIS  31           HE1      HIS  31   5.677   0.887 -13.348
  235    HE2  HIS  31           HE2      HIS  31   6.551   2.992 -14.418
  236    H    ARG  32           HN       ARG  32  11.174   2.549  -8.364
  237    HA   ARG  32           HA       ARG  32  13.486   0.838  -8.461
  238    HB2  ARG  32           HB2      ARG  32  12.420   2.744  -6.381
  239    HB3  ARG  32           HB1      ARG  32  13.841   1.752  -6.094
  240    HG2  ARG  32           HG2      ARG  32  14.965   2.802  -7.983
  241    HG3  ARG  32           HG1      ARG  32  13.532   3.787  -8.290
  242    HD2  ARG  32           HD2      ARG  32  13.756   4.838  -6.123
  243    HD3  ARG  32           HD1      ARG  32  15.132   3.804  -5.740
  244    HE   ARG  32           HE       ARG  32  15.872   5.062  -8.034
  245   HH11  ARG  32          HH11      ARG  32  14.706   6.173  -4.933
  246   HH12  ARG  32          HH12      ARG  32  15.633   7.638  -4.960
  247   HH21  ARG  32          HH21      ARG  32  17.096   6.977  -8.087
  248   HH22  ARG  32          HH22      ARG  32  17.002   8.098  -6.769
  249    H    ALA  33           HN       ALA  33  10.312   0.542  -7.411
  250    HA   ALA  33           HA       ALA  33  10.964  -1.988  -6.096
  251    HB1  ALA  33           HB1      ALA  33   9.230  -1.586  -4.416
  252    HB2  ALA  33           HB2      ALA  33   8.950   0.021  -5.087
  253    HB3  ALA  33           HB3      ALA  33  10.497  -0.363  -4.331
  254    H    HIS  34           HN       HIS  34   9.515  -3.622  -6.467
  255    HA   HIS  34           HA       HIS  34   7.571  -3.122  -8.605
  256    HB2  HIS  34           HB2      HIS  34   9.227  -4.977  -8.901
  257    HB3  HIS  34           HB1      HIS  34   8.561  -5.762  -7.471
  258    HD1  HIS  34           HD1      HIS  34   7.891  -5.154 -11.086
  259    HD2  HIS  34           HD2      HIS  34   6.033  -6.975  -7.840
  260    HE1  HIS  34           HE1      HIS  34   6.003  -6.502 -12.055
  261    HE2  HIS  34           HE2      HIS  34   4.823  -7.500 -10.064
  262    H    THR  35           HN       THR  35   5.423  -3.232  -8.238
  263    HA   THR  35           HA       THR  35   4.628  -3.857  -5.478
  264    HB   THR  35           HB       THR  35   2.672  -2.362  -5.921
  265    HG1  THR  35           HG1      THR  35   3.028  -0.885  -7.767
  266   HG21  THR  35          HG21      THR  35   5.356  -1.032  -6.304
  267   HG22  THR  35          HG22      THR  35   4.734  -1.603  -4.757
  268   HG23  THR  35          HG23      THR  35   3.904  -0.303  -5.615
  269    H    ASP  36           HN       ASP  36   2.913  -5.182  -5.096
  270    HA   ASP  36           HA       ASP  36   1.506  -6.358  -7.369
  271    HB2  ASP  36           HB2      ASP  36   3.457  -7.811  -7.055
  272    HB3  ASP  36           HB1      ASP  36   3.080  -7.974  -5.343
  273    H    VAL  37           HN       VAL  37  -0.583  -6.431  -6.912
  274    HA   VAL  37           HA       VAL  37  -1.426  -6.018  -4.162
  275    HB   VAL  37           HB       VAL  37  -3.054  -6.080  -6.704
  276   HG11  VAL  37          HG11      VAL  37  -3.845  -5.227  -3.922
  277   HG12  VAL  37          HG12      VAL  37  -4.384  -6.687  -4.750
  278   HG13  VAL  37          HG13      VAL  37  -4.847  -5.101  -5.368
  279   HG21  VAL  37          HG21      VAL  37  -2.097  -3.743  -5.053
  280   HG22  VAL  37          HG22      VAL  37  -3.160  -3.647  -6.456
  281   HG23  VAL  37          HG23      VAL  37  -1.497  -4.203  -6.646
  282    H    VAL  38           HN       VAL  38  -1.734  -7.729  -2.926
  283    HA   VAL  38           HA       VAL  38  -2.618 -10.283  -3.842
  284    HB   VAL  38           HB       VAL  38  -2.888  -9.146  -1.051
  285   HG11  VAL  38          HG11      VAL  38  -2.815 -11.480  -0.342
  286   HG12  VAL  38          HG12      VAL  38  -2.722 -11.990  -2.028
  287   HG13  VAL  38          HG13      VAL  38  -4.169 -11.176  -1.430
  288   HG21  VAL  38          HG21      VAL  38  -0.553 -10.587  -2.292
  289   HG22  VAL  38          HG22      VAL  38  -0.732 -10.250  -0.573
  290   HG23  VAL  38          HG23      VAL  38  -0.583  -8.920  -1.720
  291    H    GLY  39           HN       GLY  39  -4.513 -10.246  -4.947
  292    HA2  GLY  39           HA2      GLY  39  -6.619  -8.424  -4.240
  293    HA3  GLY  39           HA1      GLY  39  -6.654  -9.611  -5.535
  294    H    TYR  40           HN       TYR  40  -8.922  -9.343  -4.256
  295    HA   TYR  40           HA       TYR  40  -9.216 -10.980  -1.946
  296    HB2  TYR  40           HB2      TYR  40 -10.820  -9.184  -2.588
  297    HB3  TYR  40           HB1      TYR  40 -11.302 -10.149  -3.981
  298    HD1  TYR  40           HD1      TYR  40 -11.080 -10.360  -0.257
  299    HD2  TYR  40           HD2      TYR  40 -13.145 -11.560  -3.783
  300    HE1  TYR  40           HE1      TYR  40 -12.799 -11.445   1.125
  301    HE2  TYR  40           HE2      TYR  40 -14.868 -12.649  -2.406
  302    HH   TYR  40           HH       TYR  40 -15.180 -12.104   0.907
  303    H    GLY  41           HN       GLY  41  -8.919 -13.103  -1.929
  304    HA2  GLY  41           HA2      GLY  41  -9.632 -14.632  -4.357
  305    HA3  GLY  41           HA1      GLY  41  -8.280 -15.046  -3.305
  306    H    GLY  42           HN       GLY  42 -11.637 -14.160  -2.590
  307    HA2  GLY  42           HA2      GLY  42 -13.310 -15.746  -1.940
  308    HA3  GLY  42           HA1      GLY  42 -12.023 -16.837  -1.437
  309    H    HIS  43           HN       HIS  43 -14.141 -16.309   0.213
  310    HA   HIS  43           HA       HIS  43 -13.769 -14.159   2.005
  311    HB2  HIS  43           HB2      HIS  43 -15.173 -16.818   2.383
  312    HB3  HIS  43           HB1      HIS  43 -15.241 -15.492   3.538
  313    HD1  HIS  43           HD1      HIS  43 -17.014 -13.773   3.180
  314    HD2  HIS  43           HD2      HIS  43 -16.397 -16.139  -0.187
  315    HE1  HIS  43           HE1      HIS  43 -18.835 -13.141   1.562
  316    HE2  HIS  43           HE2      HIS  43 -18.502 -14.658  -0.422
  317    H    GLY  44           HN       GLY  44 -12.128 -13.849   3.330
  318    HA2  GLY  44           HA2      GLY  44 -10.960 -14.661   5.324
  319    HA3  GLY  44           HA1      GLY  44 -10.827 -16.218   4.521
  320    H    HIS  45           HN       HIS  45 -10.403 -14.114   2.113
  321    HA   HIS  45           HA       HIS  45  -7.489 -13.947   2.541
  322    HB2  HIS  45           HB2      HIS  45  -9.033 -14.280  -0.045
  323    HB3  HIS  45           HB1      HIS  45  -7.311 -13.935   0.033
  324    HD1  HIS  45           HD1      HIS  45  -5.781 -15.895   0.211
  325    HD2  HIS  45           HD2      HIS  45  -9.720 -16.884   1.120
  326    HE1  HIS  45           HE1      HIS  45  -5.814 -18.397   0.453
  327    HE2  HIS  45           HE2      HIS  45  -8.209 -18.978   0.976
  328    HA   PRO  46           HA       PRO  46  -8.885  -9.629   2.527
  329    HB2  PRO  46           HB2      PRO  46  -6.794  -8.649   3.936
  330    HB3  PRO  46           HB1      PRO  46  -8.148  -9.497   4.705
  331    HG2  PRO  46           HG2      PRO  46  -5.425 -10.522   3.986
  332    HG3  PRO  46           HG1      PRO  46  -6.372 -10.797   5.460
  333    HD2  PRO  46           HD2      PRO  46  -6.213 -12.601   3.425
  334    HD3  PRO  46           HD1      PRO  46  -7.622 -12.462   4.493
  335    H    THR  47           HN       THR  47  -8.320  -7.881   1.300
  336    HA   THR  47           HA       THR  47  -6.244  -8.272  -0.666
  337    HB   THR  47           HB       THR  47  -8.137  -5.933  -0.318
  338    HG1  THR  47           HG1      THR  47  -8.400  -8.466  -1.495
  339   HG21  THR  47          HG21      THR  47  -6.199  -5.414  -1.737
  340   HG22  THR  47          HG22      THR  47  -7.674  -5.513  -2.699
  341   HG23  THR  47          HG23      THR  47  -6.523  -6.847  -2.712
  342    H    GLN  48           HN       GLN  48  -4.338  -7.235  -0.765
  343    HA   GLN  48           HA       GLN  48  -3.700  -4.940   0.844
  344    HB2  GLN  48           HB2      GLN  48  -1.919  -6.048   2.156
  345    HB3  GLN  48           HB1      GLN  48  -3.514  -6.662   2.563
  346    HG2  GLN  48           HG2      GLN  48  -3.086  -8.608   1.083
  347    HG3  GLN  48           HG1      GLN  48  -1.447  -8.005   0.836
  348   HE21  GLN  48          HE21      GLN  48  -0.493  -9.811   1.759
  349   HE22  GLN  48          HE22      GLN  48  -0.549 -10.129   3.457
  350    H    VAL  49           HN       VAL  49  -1.628  -4.043   0.251
  351    HA   VAL  49           HA       VAL  49  -0.639  -5.229  -2.255
  352    HB   VAL  49           HB       VAL  49  -1.727  -3.074  -2.631
  353   HG11  VAL  49          HG11      VAL  49   0.364  -1.952  -0.770
  354   HG12  VAL  49          HG12      VAL  49  -1.374  -2.023  -0.474
  355   HG13  VAL  49          HG13      VAL  49  -0.739  -0.998  -1.762
  356   HG21  VAL  49          HG21      VAL  49   1.269  -2.943  -2.966
  357   HG22  VAL  49          HG22      VAL  49   0.087  -1.974  -3.848
  358   HG23  VAL  49          HG23      VAL  49   0.134  -3.724  -4.068
  359    H    ARG  50           HN       ARG  50   1.333  -5.961  -2.277
  360    HA   ARG  50           HA       ARG  50   3.175  -5.187  -0.146
  361    HB2  ARG  50           HB2      ARG  50   4.544  -7.099  -0.884
  362    HB3  ARG  50           HB1      ARG  50   2.900  -7.586  -0.494
  363    HG2  ARG  50           HG2      ARG  50   2.331  -7.700  -2.834
  364    HG3  ARG  50           HG1      ARG  50   3.920  -7.075  -3.279
  365    HD2  ARG  50           HD2      ARG  50   3.749  -9.511  -3.569
  366    HD3  ARG  50           HD1      ARG  50   4.989  -9.056  -2.404
  367    HE   ARG  50           HE       ARG  50   3.608  -9.862  -0.654
  368   HH11  ARG  50          HH11      ARG  50   2.186 -10.367  -3.829
  369   HH12  ARG  50          HH12      ARG  50   1.175 -11.675  -3.297
  370   HH21  ARG  50          HH21      ARG  50   2.264 -11.562   0.038
  371   HH22  ARG  50          HH22      ARG  50   1.214 -12.348  -1.102
  372    H    ILE  51           HN       ILE  51   4.993  -4.082  -0.475
  373    HA   ILE  51           HA       ILE  51   5.702  -3.364  -3.242
  374    HB   ILE  51           HB       ILE  51   6.248  -1.743  -0.742
  375   HG12  ILE  51          HG12      ILE  51   4.213  -1.196  -2.912
  376   HG13  ILE  51          HG11      ILE  51   3.815  -1.904  -1.352
  377   HG21  ILE  51          HG21      ILE  51   6.848   0.032  -2.331
  378   HG22  ILE  51          HG22      ILE  51   6.574  -1.083  -3.669
  379   HG23  ILE  51          HG23      ILE  51   7.876  -1.388  -2.518
  380   HD11  ILE  51          HD11      ILE  51   4.398   0.082  -0.211
  381   HD12  ILE  51          HD12      ILE  51   3.391   0.553  -1.580
  382   HD13  ILE  51          HD13      ILE  51   5.141   0.771  -1.652
  383    H    VAL  52           HN       VAL  52   7.468  -4.420  -3.844
  384    HA   VAL  52           HA       VAL  52   9.445  -5.151  -1.784
  385    HB   VAL  52           HB       VAL  52   8.867  -6.663  -4.344
  386   HG11  VAL  52          HG11      VAL  52  10.468  -7.483  -1.923
  387   HG12  VAL  52          HG12      VAL  52  11.145  -6.922  -3.451
  388   HG13  VAL  52          HG13      VAL  52  10.222  -8.422  -3.394
  389   HG21  VAL  52          HG21      VAL  52   7.972  -7.317  -1.537
  390   HG22  VAL  52          HG22      VAL  52   7.759  -8.341  -2.958
  391   HG23  VAL  52          HG23      VAL  52   6.936  -6.784  -2.863
  392    H    ALA  53           HN       ALA  53  11.560  -4.697  -2.175
  393    HA   ALA  53           HA       ALA  53  12.255  -3.624  -4.818
  394    HB1  ALA  53           HB1      ALA  53  13.246  -2.387  -2.258
  395    HB2  ALA  53           HB2      ALA  53  11.864  -1.774  -3.161
  396    HB3  ALA  53           HB3      ALA  53  13.465  -1.789  -3.901
  397    HA   PRO  54           HA       PRO  54  15.456  -6.624  -3.556
  398    HB2  PRO  54           HB2      PRO  54  15.215  -8.316  -5.652
  399    HB3  PRO  54           HB1      PRO  54  14.152  -8.411  -4.240
  400    HG2  PRO  54           HG2      PRO  54  13.582  -7.426  -6.966
  401    HG3  PRO  54           HG1      PRO  54  12.476  -8.085  -5.753
  402    HD2  PRO  54           HD2      PRO  54  12.937  -5.337  -6.387
  403    HD3  PRO  54           HD1      PRO  54  11.894  -5.991  -5.114
  404    H    HIS  55           HN       HIS  55  17.260  -7.553  -5.146
  405    HA   HIS  55           HA       HIS  55  19.087  -7.064  -6.393
  406    HB2  HIS  55           HB2      HIS  55  17.565  -7.185  -8.283
  407    HB3  HIS  55           HB1      HIS  55  17.058  -5.522  -8.029
  408    HD1  HIS  55           HD1      HIS  55  18.088  -3.957  -9.625
  409    HD2  HIS  55           HD2      HIS  55  20.571  -7.203  -8.854
  410    HE1  HIS  55           HE1      HIS  55  20.127  -3.608 -11.051
  411    HE2  HIS  55           HE2      HIS  55  21.704  -5.449 -10.389
  412    H    ALA  56           HN       ALA  56  19.728  -5.887  -4.417
  413    HA   ALA  56           HA       ALA  56  19.777  -2.998  -4.589
  414    HB1  ALA  56           HB1      ALA  56  21.094  -3.101  -2.538
  415    HB2  ALA  56           HB2      ALA  56  21.207  -4.854  -2.686
  416    HB3  ALA  56           HB3      ALA  56  19.643  -4.092  -2.401
  417    H    GLU  57           HN       GLU  57  20.919  -2.403  -6.386
  418    HA   GLU  57           HA       GLU  57  23.226  -3.866  -7.232
  419    HB2  GLU  57           HB2      GLU  57  21.581  -2.765  -8.778
  420    HB3  GLU  57           HB1      GLU  57  22.239  -1.212  -8.280
  421    HG2  GLU  57           HG2      GLU  57  23.188  -1.926 -10.394
  422    HG3  GLU  57           HG1      GLU  57  24.426  -1.845  -9.141
  423    H    HIS  58           HN       HIS  58  22.795  -0.443  -6.256
  424    HA   HIS  58           HA       HIS  58  25.695  -0.397  -5.726
  425    HB2  HIS  58           HB2      HIS  58  25.619   2.026  -6.061
  426    HB3  HIS  58           HB1      HIS  58  24.996   1.182  -7.469
  427    HD1  HIS  58           HD1      HIS  58  22.652   1.741  -8.210
  428    HD2  HIS  58           HD2      HIS  58  23.599   3.387  -4.510
  429    HE1  HIS  58           HE1      HIS  58  20.782   3.330  -7.679
  430    HE2  HIS  58           HE2      HIS  58  21.445   4.416  -5.505
  431    H    VAL  59           HN       VAL  59  23.485  -1.268  -3.917
  432    HA   VAL  59           HA       VAL  59  23.991   0.644  -1.736
  433    HB   VAL  59           HB       VAL  59  21.450  -0.931  -2.167
  434   HG11  VAL  59          HG11      VAL  59  22.139   1.116  -0.060
  435   HG12  VAL  59          HG12      VAL  59  22.043  -0.625   0.198
  436   HG13  VAL  59          HG13      VAL  59  20.596   0.281  -0.243
  437   HG21  VAL  59          HG21      VAL  59  21.952   2.036  -2.394
  438   HG22  VAL  59          HG22      VAL  59  20.394   1.230  -2.570
  439   HG23  VAL  59          HG23      VAL  59  21.678   0.933  -3.741
  440    H    ARG  60           HN       ARG  60  25.116  -0.236  -0.153
  441    HA   ARG  60           HA       ARG  60  24.540  -3.003   0.630
  442    HB2  ARG  60           HB2      ARG  60  27.298  -1.784   0.369
  443    HB3  ARG  60           HB1      ARG  60  26.967  -3.323   1.148
  444    HG2  ARG  60           HG2      ARG  60  26.105  -4.190  -0.987
  445    HG3  ARG  60           HG1      ARG  60  26.508  -2.650  -1.749
  446    HD2  ARG  60           HD2      ARG  60  28.452  -4.538  -0.425
  447    HD3  ARG  60           HD1      ARG  60  28.240  -4.319  -2.161
  448    HE   ARG  60           HE       ARG  60  28.803  -1.819  -1.199
  449   HH11  ARG  60          HH11      ARG  60  30.388  -4.936  -1.139
  450   HH12  ARG  60          HH12      ARG  60  31.986  -4.265  -1.052
  451   HH21  ARG  60          HH21      ARG  60  30.898  -0.924  -1.094
  452   HH22  ARG  60          HH22      ARG  60  32.277  -1.976  -1.033
  453    H    GLY  61           HN       GLY  61  24.146  -3.187   2.748
  454    HA2  GLY  61           HA2      GLY  61  25.465  -1.803   4.787
  455    HA3  GLY  61           HA1      GLY  61  23.986  -0.925   4.417
  456    H    TYR  62           HN       TYR  62  22.000  -2.376   4.272
  457    HA   TYR  62           HA       TYR  62  22.068  -4.163   6.606
  458    HB2  TYR  62           HB2      TYR  62  19.614  -2.946   5.307
  459    HB3  TYR  62           HB1      TYR  62  19.719  -3.712   6.893
  460    HD1  TYR  62           HD2      TYR  62  21.574  -2.561   8.477
  461    HD2  TYR  62           HD1      TYR  62  19.535  -0.633   5.275
  462    HE1  TYR  62           HE2      TYR  62  21.994  -0.375   9.529
  463    HE2  TYR  62           HE1      TYR  62  19.949   1.551   6.321
  464    HH   TYR  62           HH       TYR  62  22.122   1.978   8.918
  465    H    ALA  63           HN       ALA  63  21.149  -6.223   6.495
  466    HA   ALA  63           HA       ALA  63  21.288  -7.353   3.812
  467    HB1  ALA  63           HB1      ALA  63  21.510  -9.500   4.930
  468    HB2  ALA  63           HB2      ALA  63  21.200  -8.737   6.488
  469    HB3  ALA  63           HB3      ALA  63  22.661  -8.337   5.586
  470    H    HIS  64           HN       HIS  64  18.938  -5.855   4.543
  471    HA   HIS  64           HA       HIS  64  16.948  -7.991   4.225
  472    HB2  HIS  64           HB2      HIS  64  16.855  -5.647   6.103
  473    HB3  HIS  64           HB1      HIS  64  15.363  -6.321   5.452
  474    HD1  HIS  64           HD1      HIS  64  14.466  -8.394   6.544
  475    HD2  HIS  64           HD2      HIS  64  18.350  -7.506   7.735
  476    HE1  HIS  64           HE1      HIS  64  14.983  -9.992   8.413
  477    HE2  HIS  64           HE2      HIS  64  17.297  -9.368   9.187
  478    HA   PRO  65           HA       PRO  65  15.997  -5.395   0.679
  479    HB2  PRO  65           HB2      PRO  65  14.279  -7.149  -0.458
  480    HB3  PRO  65           HB1      PRO  65  16.032  -7.335  -0.575
  481    HG2  PRO  65           HG2      PRO  65  14.097  -8.710   1.240
  482    HG3  PRO  65           HG1      PRO  65  15.482  -9.384   0.362
  483    HD2  PRO  65           HD2      PRO  65  15.555  -8.737   3.008
  484    HD3  PRO  65           HD1      PRO  65  16.982  -8.694   1.956
  485    H    LEU  66           HN       LEU  66  14.125  -4.222   0.061
  486    HA   LEU  66           HA       LEU  66  12.337  -3.673   2.187
  487    HB2  LEU  66           HB2      LEU  66  12.946  -1.934   0.645
  488    HB3  LEU  66           HB1      LEU  66  12.307  -2.849  -0.706
  489    HG   LEU  66           HG       LEU  66  10.028  -2.612   0.255
  490   HD11  LEU  66          HD11      LEU  66  10.630  -2.303   2.590
  491   HD12  LEU  66          HD12      LEU  66   9.653  -0.953   2.010
  492   HD13  LEU  66          HD13      LEU  66  11.395  -0.761   2.199
  493   HD21  LEU  66          HD21      LEU  66  11.495  -0.030  -0.249
  494   HD22  LEU  66          HD22      LEU  66   9.751  -0.271  -0.356
  495   HD23  LEU  66          HD23      LEU  66  10.827  -1.101  -1.478
  496    H    ASN  67           HN       ASN  67  10.721  -4.910   2.795
  497    HA   ASN  67           HA       ASN  67   8.901  -5.958   0.747
  498    HB2  ASN  67           HB2      ASN  67  10.394  -7.782   1.738
  499    HB3  ASN  67           HB1      ASN  67   9.575  -7.488   3.272
  500   HD21  ASN  67          HD21      ASN  67   7.315  -7.927   3.405
  501   HD22  ASN  67          HD22      ASN  67   6.580  -9.075   2.341
  502    H    LEU  68           HN       LEU  68   7.422  -4.370   1.086
  503    HA   LEU  68           HA       LEU  68   6.488  -3.924   3.837
  504    HB2  LEU  68           HB2      LEU  68   7.296  -1.908   2.852
  505    HB3  LEU  68           HB1      LEU  68   6.437  -2.212   1.358
  506    HG   LEU  68           HG       LEU  68   4.294  -1.813   2.523
  507   HD11  LEU  68          HD11      LEU  68   4.949  -2.450   4.776
  508   HD12  LEU  68          HD12      LEU  68   4.312  -0.808   4.747
  509   HD13  LEU  68          HD13      LEU  68   6.051  -1.075   4.856
  510   HD21  LEU  68          HD21      LEU  68   5.522  -0.013   1.350
  511   HD22  LEU  68          HD22      LEU  68   6.262   0.438   2.884
  512   HD23  LEU  68          HD23      LEU  68   4.516   0.574   2.672
  513    H    ALA  69           HN       ALA  69   4.519  -4.515   4.412
  514    HA   ALA  69           HA       ALA  69   2.561  -5.137   2.294
  515    HB1  ALA  69           HB1      ALA  69   2.691  -6.246   5.098
  516    HB2  ALA  69           HB2      ALA  69   3.204  -7.084   3.634
  517    HB3  ALA  69           HB3      ALA  69   1.504  -6.674   3.866
  518    H    LEU  70           HN       LEU  70   1.253  -3.467   2.054
  519    HA   LEU  70           HA       LEU  70   0.524  -1.785   4.322
  520    HB2  LEU  70           HB2      LEU  70  -0.015  -1.558   1.356
  521    HB3  LEU  70           HB1      LEU  70  -0.612  -0.411   2.539
  522    HG   LEU  70           HG       LEU  70   2.321  -0.958   2.036
  523   HD11  LEU  70          HD11      LEU  70   2.334   1.172   0.866
  524   HD12  LEU  70          HD12      LEU  70   0.586   1.308   1.073
  525   HD13  LEU  70          HD13      LEU  70   1.259   0.020   0.072
  526   HD21  LEU  70          HD21      LEU  70   1.929  -0.117   4.258
  527   HD22  LEU  70          HD22      LEU  70   0.865   1.143   3.632
  528   HD23  LEU  70          HD23      LEU  70   2.587   1.183   3.262
  529    H    THR  71           HN       THR  71  -1.338  -2.023   5.401
  530    HA   THR  71           HA       THR  71  -3.617  -3.238   4.001
  531    HB   THR  71           HB       THR  71  -4.253  -4.336   6.171
  532    HG1  THR  71           HG1      THR  71  -1.924  -3.052   6.952
  533   HG21  THR  71          HG21      THR  71  -2.603  -6.176   6.011
  534   HG22  THR  71          HG22      THR  71  -1.610  -5.165   4.962
  535   HG23  THR  71          HG23      THR  71  -3.215  -5.675   4.436
  536    H    TRP  72           HN       TRP  72  -5.690  -2.494   4.753
  537    HA   TRP  72           HA       TRP  72  -5.568  -0.056   6.387
  538    HB2  TRP  72           HB2      TRP  72  -6.965  -0.364   3.720
  539    HB3  TRP  72           HB1      TRP  72  -7.224   0.993   4.816
  540    HD1  TRP  72           HD1      TRP  72  -5.203   2.756   5.079
  541    HE1  TRP  72           HE1      TRP  72  -3.215   3.308   3.542
  542    HE3  TRP  72           HE3      TRP  72  -5.314  -1.383   2.082
  543    HZ2  TRP  72           HZ2      TRP  72  -1.880   2.154   1.354
  544    HZ3  TRP  72           HZ3      TRP  72  -3.642  -1.577   0.284
  545    HH2  TRP  72           HH2      TRP  72  -1.962   0.160  -0.066
  546    H    ASN  73           HN       ASN  73  -7.499   0.545   7.403
  547    HA   ASN  73           HA       ASN  73  -8.909  -1.588   8.566
  548    HB2  ASN  73           HB2      ASN  73  -9.439   1.386   8.563
  549    HB3  ASN  73           HB1      ASN  73 -10.302   0.236   9.579
  550   HD21  ASN  73          HD21      ASN  73  -8.506   2.515  10.211
  551   HD22  ASN  73          HD22      ASN  73  -7.281   1.850  11.239
  552    H    THR  74           HN       THR  74 -10.733  -2.572   8.066
  553    HA   THR  74           HA       THR  74 -11.834  -2.387   5.500
  554    HB   THR  74           HB       THR  74 -13.189  -3.640   7.891
  555    HG1  THR  74           HG1      THR  74 -11.724  -5.197   7.832
  556   HG21  THR  74          HG21      THR  74 -14.059  -5.219   6.249
  557   HG22  THR  74          HG22      THR  74 -13.179  -4.400   4.962
  558   HG23  THR  74          HG23      THR  74 -14.495  -3.571   5.795
  559    H    ASP  75           HN       ASP  75 -12.764  -0.824   8.501
  560    HA   ASP  75           HA       ASP  75 -15.331   0.050   7.769
  561    HB2  ASP  75           HB2      ASP  75 -13.252   1.295   9.575
  562    HB3  ASP  75           HB1      ASP  75 -14.873   1.951   9.384
  563    H    GLU  76           HN       GLU  76 -12.201   1.683   7.466
  564    HA   GLU  76           HA       GLU  76 -13.078   3.905   6.032
  565    HB2  GLU  76           HB2      GLU  76 -10.794   3.535   7.076
  566    HB3  GLU  76           HB1      GLU  76 -10.389   2.595   5.646
  567    HG2  GLU  76           HG2      GLU  76  -9.543   4.803   5.362
  568    HG3  GLU  76           HG1      GLU  76 -10.900   4.585   4.258
  569    H    ILE  77           HN       ILE  77 -11.959   0.740   4.838
  570    HA   ILE  77           HA       ILE  77 -12.121   1.241   2.101
  571    HB   ILE  77           HB       ILE  77 -12.795  -1.344   3.525
  572   HG12  ILE  77          HG12      ILE  77 -10.158  -0.362   2.393
  573   HG13  ILE  77          HG11      ILE  77 -10.553  -0.521   4.103
  574   HG21  ILE  77          HG21      ILE  77 -13.586  -1.361   1.226
  575   HG22  ILE  77          HG22      ILE  77 -12.197  -2.433   1.401
  576   HG23  ILE  77          HG23      ILE  77 -11.999  -0.848   0.656
  577   HD11  ILE  77          HD11      ILE  77 -10.383  -2.784   2.122
  578   HD12  ILE  77          HD12      ILE  77 -10.752  -2.936   3.838
  579   HD13  ILE  77          HD13      ILE  77  -9.165  -2.365   3.327
  580    H    GLU  78           HN       GLU  78 -14.621   0.281   4.381
  581    HA   GLU  78           HA       GLU  78 -16.769  -0.041   2.612
  582    HB2  GLU  78           HB2      GLU  78 -16.841  -0.735   4.954
  583    HB3  GLU  78           HB1      GLU  78 -16.706   0.936   5.475
  584    HG2  GLU  78           HG2      GLU  78 -18.896   1.353   4.298
  585    HG3  GLU  78           HG1      GLU  78 -19.030  -0.399   4.128
  586    H    ARG  79           HN       ARG  79 -15.470   2.807   4.230
  587    HA   ARG  79           HA       ARG  79 -17.485   4.621   3.481
  588    HB2  ARG  79           HB2      ARG  79 -14.641   4.931   4.376
  589    HB3  ARG  79           HB1      ARG  79 -15.557   6.330   3.836
  590    HG2  ARG  79           HG2      ARG  79 -16.347   4.493   6.092
  591    HG3  ARG  79           HG1      ARG  79 -15.592   6.077   6.269
  592    HD2  ARG  79           HD2      ARG  79 -18.297   5.474   5.084
  593    HD3  ARG  79           HD1      ARG  79 -17.962   6.300   6.604
  594    HE   ARG  79           HE       ARG  79 -16.704   7.876   4.848
  595   HH11  ARG  79          HH11      ARG  79 -19.932   6.533   4.854
  596   HH12  ARG  79          HH12      ARG  79 -20.614   7.830   3.927
  597   HH21  ARG  79          HH21      ARG  79 -17.602   9.591   3.629
  598   HH22  ARG  79          HH22      ARG  79 -19.295   9.574   3.238
  599    H    LEU  80           HN       LEU  80 -14.740   3.371   1.767
  600    HA   LEU  80           HA       LEU  80 -14.369   5.439  -0.103
  601    HB2  LEU  80           HB2      LEU  80 -13.878   2.485  -0.487
  602    HB3  LEU  80           HB1      LEU  80 -13.223   3.769  -1.481
  603    HG   LEU  80           HG       LEU  80 -12.547   3.172   1.399
  604   HD11  LEU  80          HD11      LEU  80 -10.898   3.108  -1.123
  605   HD12  LEU  80          HD12      LEU  80 -11.495   1.706  -0.236
  606   HD13  LEU  80          HD13      LEU  80 -10.310   2.780   0.505
  607   HD21  LEU  80          HD21      LEU  80 -11.637   5.465  -0.339
  608   HD22  LEU  80          HD22      LEU  80 -10.930   5.032   1.216
  609   HD23  LEU  80          HD23      LEU  80 -12.603   5.579   1.131
  610    H    MET  81           HN       MET  81 -16.865   3.112   0.189
  611    HA   MET  81           HA       MET  81 -17.597   3.019  -2.571
  612    HB2  MET  81           HB2      MET  81 -19.177   2.286  -0.100
  613    HB3  MET  81           HB1      MET  81 -19.663   1.925  -1.751
  614    HG2  MET  81           HG2      MET  81 -17.548   0.615  -1.996
  615    HG3  MET  81           HG1      MET  81 -17.274   0.856  -0.270
  616    HE1  MET  81           HE1      MET  81 -20.221  -1.095   1.351
  617    HE2  MET  81           HE2      MET  81 -20.154   0.630   0.989
  618    HE3  MET  81           HE3      MET  81 -18.731  -0.191   1.628
  619    H    GLU  82           HN       GLU  82 -18.009   5.357  -0.171
  620    HA   GLU  82           HA       GLU  82 -20.456   6.423  -1.360
  621    HB2  GLU  82           HB2      GLU  82 -18.908   7.204   1.120
  622    HB3  GLU  82           HB1      GLU  82 -20.340   8.055   0.555
  623    HG2  GLU  82           HG2      GLU  82 -20.268   5.141   1.287
  624    HG3  GLU  82           HG1      GLU  82 -20.765   6.432   2.372
  625    H    ALA  83           HN       ALA  83 -20.519   8.854  -1.716
  626    HA   ALA  83           HA       ALA  83 -18.604   9.605  -3.608
  627    HB1  ALA  83           HB1      ALA  83 -20.856  10.565  -3.514
  628    HB2  ALA  83           HB2      ALA  83 -19.616  11.819  -3.544
  629    HB3  ALA  83           HB3      ALA  83 -20.428  11.417  -2.033
  630    H    ASP  84           HN       ASP  84 -18.952  10.711  -0.229
  631    HA   ASP  84           HA       ASP  84 -16.585  12.265  -0.210
  632    HB2  ASP  84           HB2      ASP  84 -18.160  11.014   2.049
  633    HB3  ASP  84           HB1      ASP  84 -16.753  12.035   2.312
  634    H    GLY  85           HN       GLY  85 -17.085   8.939  -0.244
  635    HA2  GLY  85           HA2      GLY  85 -14.755   8.145   1.232
  636    HA3  GLY  85           HA1      GLY  85 -15.745   7.122   0.190
  637    H    ALA  86           HN       ALA  86 -15.609   8.240  -2.246
  638    HA   ALA  86           HA       ALA  86 -13.104   7.802  -3.295
  639    HB1  ALA  86           HB1      ALA  86 -15.146   7.964  -4.636
  640    HB2  ALA  86           HB2      ALA  86 -13.872   9.007  -5.269
  641    HB3  ALA  86           HB3      ALA  86 -15.200   9.702  -4.339
  642    H    ALA  87           HN       ALA  87 -14.465  10.766  -1.966
  643    HA   ALA  87           HA       ALA  87 -12.333  12.482  -2.719
  644    HB1  ALA  87           HB1      ALA  87 -14.268  12.779  -0.424
  645    HB2  ALA  87           HB2      ALA  87 -14.547  13.324  -2.078
  646    HB3  ALA  87           HB3      ALA  87 -13.264  14.055  -1.114
  647    H    ARG  88           HN       ARG  88 -12.892  10.338  -0.032
  648    HA   ARG  88           HA       ARG  88 -10.791  11.228   1.658
  649    HB2  ARG  88           HB2      ARG  88 -12.720   9.789   2.361
  650    HB3  ARG  88           HB1      ARG  88 -12.021   8.467   1.445
  651    HG2  ARG  88           HG2      ARG  88 -11.419   8.043   3.659
  652    HG3  ARG  88           HG1      ARG  88  -9.969   8.734   2.932
  653    HD2  ARG  88           HD2      ARG  88 -11.983  10.317   4.520
  654    HD3  ARG  88           HD1      ARG  88 -10.520   9.614   5.208
  655    HE   ARG  88           HE       ARG  88  -9.349  11.038   3.440
  656   HH11  ARG  88          HH11      ARG  88 -12.307  11.943   5.080
  657   HH12  ARG  88          HH12      ARG  88 -12.044  13.645   4.898
  658   HH21  ARG  88          HH21      ARG  88  -8.997  13.287   3.215
  659   HH22  ARG  88          HH22      ARG  88 -10.154  14.413   3.835
  660    H    PHE  89           HN       PHE  89 -11.060   8.787  -0.866
  661    HA   PHE  89           HA       PHE  89  -8.467   7.698  -0.637
  662    HB2  PHE  89           HB2      PHE  89 -10.324   6.578  -1.824
  663    HB3  PHE  89           HB1      PHE  89 -10.287   7.834  -3.057
  664    HD1  PHE  89           HD2      PHE  89  -8.219   5.156  -1.519
  665    HD2  PHE  89           HD1      PHE  89  -8.926   7.607  -4.926
  666    HE1  PHE  89           HE2      PHE  89  -6.592   3.839  -2.802
  667    HE2  PHE  89           HE1      PHE  89  -7.305   6.292  -6.211
  668    HZ   PHE  89           HZ       PHE  89  -6.133   4.406  -5.154
  669    H    GLU  90           HN       GLU  90  -9.784  10.320  -2.616
  670    HA   GLU  90           HA       GLU  90  -7.484  10.797  -4.162
  671    HB2  GLU  90           HB2      GLU  90 -10.024  12.152  -3.607
  672    HB3  GLU  90           HB1      GLU  90  -8.707  13.256  -3.966
  673    HG2  GLU  90           HG2      GLU  90 -10.126  12.520  -5.910
  674    HG3  GLU  90           HG1      GLU  90  -8.384  12.347  -6.104
  675    H    ARG  91           HN       ARG  91  -8.504  11.927  -1.017
  676    HA   ARG  91           HA       ARG  91  -6.503  13.911  -0.694
  677    HB2  ARG  91           HB2      ARG  91  -8.606  13.814   0.622
  678    HB3  ARG  91           HB1      ARG  91  -8.015  12.366   1.422
  679    HG2  ARG  91           HG2      ARG  91  -7.720  14.294   2.843
  680    HG3  ARG  91           HG1      ARG  91  -6.154  13.657   2.352
  681    HD2  ARG  91           HD2      ARG  91  -5.882  15.397   0.732
  682    HD3  ARG  91           HD1      ARG  91  -7.533  15.960   0.995
  683    HE   ARG  91           HE       ARG  91  -5.838  15.995   3.345
  684   HH11  ARG  91          HH11      ARG  91  -6.982  17.759   0.546
  685   HH12  ARG  91          HH12      ARG  91  -6.697  19.320   1.244
  686   HH21  ARG  91          HH21      ARG  91  -5.481  18.055   4.283
  687   HH22  ARG  91          HH22      ARG  91  -5.854  19.489   3.378
  688    H    TYR  92           HN       TYR  92  -6.632  10.466  -0.156
  689    HA   TYR  92           HA       TYR  92  -4.297  10.313   1.483
  690    HB2  TYR  92           HB2      TYR  92  -6.017   8.560   1.536
  691    HB3  TYR  92           HB1      TYR  92  -5.695   8.180  -0.152
  692    HD1  TYR  92           HD1      TYR  92  -4.106   8.216   3.215
  693    HD2  TYR  92           HD2      TYR  92  -4.069   6.588  -0.718
  694    HE1  TYR  92           HE1      TYR  92  -2.418   6.573   3.915
  695    HE2  TYR  92           HE2      TYR  92  -2.379   4.940  -0.024
  696    HH   TYR  92           HH       TYR  92  -0.677   4.662   1.711
  697    H    LEU  93           HN       LEU  93  -4.975  10.017  -1.963
  698    HA   LEU  93           HA       LEU  93  -2.421   9.131  -2.754
  699    HB2  LEU  93           HB2      LEU  93  -4.409  10.785  -4.313
  700    HB3  LEU  93           HB1      LEU  93  -3.026   9.958  -5.000
  701    HG   LEU  93           HG       LEU  93  -5.438   8.658  -3.731
  702   HD11  LEU  93          HD11      LEU  93  -5.814   7.801  -6.004
  703   HD12  LEU  93          HD12      LEU  93  -4.464   8.778  -6.579
  704   HD13  LEU  93          HD13      LEU  93  -5.901   9.560  -5.920
  705   HD21  LEU  93          HD21      LEU  93  -4.415   6.542  -4.534
  706   HD22  LEU  93          HD22      LEU  93  -3.506   7.313  -3.235
  707   HD23  LEU  93          HD23      LEU  93  -2.940   7.436  -4.902
  708    H    ALA  94           HN       ALA  94  -3.794  12.350  -2.316
  709    HA   ALA  94           HA       ALA  94  -1.610  13.816  -3.286
  710    HB1  ALA  94           HB1      ALA  94  -3.606  14.629  -1.182
  711    HB2  ALA  94           HB2      ALA  94  -3.854  14.743  -2.924
  712    HB3  ALA  94           HB3      ALA  94  -2.599  15.709  -2.147
  713    H    ALA  95           HN       ALA  95  -2.014  12.075  -0.346
  714    HA   ALA  95           HA       ALA  95   0.141  13.594   0.939
  715    HB1  ALA  95           HB1      ALA  95  -1.796  11.638   2.155
  716    HB2  ALA  95           HB2      ALA  95  -1.930  13.394   2.216
  717    HB3  ALA  95           HB3      ALA  95  -0.588  12.584   3.026
  718    H    LEU  96           HN       LEU  96   0.018  11.088  -1.052
  719    HA   LEU  96           HA       LEU  96   1.275   8.950   0.174
  720    HB2  LEU  96           HB2      LEU  96   1.636   9.979  -2.637
  721    HB3  LEU  96           HB1      LEU  96   2.275   8.452  -2.071
  722    HG   LEU  96           HG       LEU  96  -0.643   9.180  -2.165
  723   HD11  LEU  96          HD11      LEU  96   0.281   8.936  -4.391
  724   HD12  LEU  96          HD12      LEU  96  -0.752   7.559  -4.006
  725   HD13  LEU  96          HD13      LEU  96   1.003   7.391  -3.945
  726   HD21  LEU  96          HD21      LEU  96   0.770   6.621  -1.437
  727   HD22  LEU  96          HD22      LEU  96  -0.960   6.743  -1.758
  728   HD23  LEU  96          HD23      LEU  96  -0.255   7.610  -0.395
  729    HA   PRO  97           HA       PRO  97   5.625  10.967  -0.807
  730    HB2  PRO  97           HB2      PRO  97   5.589  13.718  -0.760
  731    HB3  PRO  97           HB1      PRO  97   5.580  12.747  -2.236
  732    HG2  PRO  97           HG2      PRO  97   3.279  14.016  -0.793
  733    HG3  PRO  97           HG1      PRO  97   3.615  13.964  -2.536
  734    HD2  PRO  97           HD2      PRO  97   1.827  12.319  -1.437
  735    HD3  PRO  97           HD1      PRO  97   2.909  11.753  -2.727
  736    H    ARG  98           HN       ARG  98   3.179  12.419   1.238
  737    HA   ARG  98           HA       ARG  98   5.053  13.383   3.198
  738    HB2  ARG  98           HB2      ARG  98   2.896  14.521   2.782
  739    HB3  ARG  98           HB1      ARG  98   2.043  13.098   3.359
  740    HG2  ARG  98           HG2      ARG  98   2.032  14.654   5.132
  741    HG3  ARG  98           HG1      ARG  98   3.218  13.422   5.565
  742    HD2  ARG  98           HD2      ARG  98   3.920  16.048   4.267
  743    HD3  ARG  98           HD1      ARG  98   3.927  15.787   6.007
  744    HE   ARG  98           HE       ARG  98   5.645  14.015   5.535
  745   HH11  ARG  98          HH11      ARG  98   5.194  16.732   3.359
  746   HH12  ARG  98          HH12      ARG  98   6.822  16.688   2.771
  747   HH21  ARG  98          HH21      ARG  98   7.787  13.973   4.768
  748   HH22  ARG  98          HH22      ARG  98   8.301  15.119   3.570
  749    H    LYS  99           HN       LYS  99   2.807  10.664   2.915
  750    HA   LYS  99           HA       LYS  99   3.362   9.724   5.573
  751    HB2  LYS  99           HB2      LYS  99   1.906   8.445   3.257
  752    HB3  LYS  99           HB1      LYS  99   2.052   7.713   4.846
  753    HG2  LYS  99           HG2      LYS  99   1.009   9.911   5.704
  754    HG3  LYS  99           HG1      LYS  99   0.525  10.149   4.025
  755    HD2  LYS  99           HD2      LYS  99  -0.642   7.990   4.066
  756    HD3  LYS  99           HD1      LYS  99  -0.167   7.772   5.754
  757    HE2  LYS  99           HE2      LYS  99  -1.336   9.972   6.215
  758    HE3  LYS  99           HE1      LYS  99  -2.010   9.847   4.592
  759    HZ1  LYS  99           HZ1      LYS  99  -2.406   7.942   6.834
  760    HZ2  LYS  99           HZ2      LYS  99  -2.964   7.685   5.259
  761    HZ3  LYS  99           HZ3      LYS  99  -3.565   8.982   6.166
  762    H    LEU 100           HN       LEU 100   4.456   9.058   2.329
  763    HA   LEU 100           HA       LEU 100   5.902   6.718   2.763
  764    HB2  LEU 100           HB2      LEU 100   5.392   7.799   0.553
  765    HB3  LEU 100           HB1      LEU 100   6.643   8.975   0.904
  766    HG   LEU 100           HG       LEU 100   8.254   7.016   1.061
  767   HD11  LEU 100          HD11      LEU 100   6.673   5.216   1.314
  768   HD12  LEU 100          HD12      LEU 100   7.582   4.997  -0.180
  769   HD13  LEU 100          HD13      LEU 100   5.930   5.609  -0.236
  770   HD21  LEU 100          HD21      LEU 100   8.546   6.910  -1.352
  771   HD22  LEU 100          HD22      LEU 100   8.184   8.557  -0.834
  772   HD23  LEU 100          HD23      LEU 100   6.929   7.573  -1.587
  773    H    ALA 101           HN       ALA 101   6.955  10.109   2.917
  774    HA   ALA 101           HA       ALA 101   9.610   9.584   3.705
  775    HB1  ALA 101           HB1      ALA 101   8.844  11.732   2.773
  776    HB2  ALA 101           HB2      ALA 101   9.716  11.931   4.292
  777    HB3  ALA 101           HB3      ALA 101   7.957  12.044   4.264
  778    H    ALA 102           HN       ALA 102   6.631   9.966   5.481
  779    HA   ALA 102           HA       ALA 102   7.744  10.216   8.067
  780    HB1  ALA 102           HB1      ALA 102   5.515   9.668   8.886
  781    HB2  ALA 102           HB2      ALA 102   5.042   9.136   7.272
  782    HB3  ALA 102           HB3      ALA 102   5.431  10.831   7.563
  783    H    TRP 103           HN       TRP 103   6.663   7.431   6.172
  784    HA   TRP 103           HA       TRP 103   7.082   5.516   8.216
  785    HB2  TRP 103           HB2      TRP 103   6.898   5.220   5.210
  786    HB3  TRP 103           HB1      TRP 103   7.045   3.850   6.309
  787    HD1  TRP 103           HD1      TRP 103   4.975   4.964   8.542
  788    HE1  TRP 103           HE1      TRP 103   2.457   4.901   8.013
  789    HE3  TRP 103           HE3      TRP 103   5.232   4.673   3.451
  790    HZ2  TRP 103           HZ2      TRP 103   0.803   4.747   5.733
  791    HZ3  TRP 103           HZ3      TRP 103   3.138   4.568   2.167
  792    HH2  TRP 103           HH2      TRP 103   0.969   4.605   3.287
  793    H    GLU 104           HN       GLU 104   9.159   6.782   5.639
  794    HA   GLU 104           HA       GLU 104  11.251   4.944   5.888
  795    HB2  GLU 104           HB2      GLU 104  11.436   7.886   5.219
  796    HB3  GLU 104           HB1      GLU 104  12.725   6.721   4.988
  797    HG2  GLU 104           HG2      GLU 104  11.040   5.466   3.500
  798    HG3  GLU 104           HG1      GLU 104  10.145   6.992   3.498
  799    H    ASN 105           HN       ASN 105  10.781   8.040   7.522
  800    HA   ASN 105           HA       ASN 105  13.146   7.937   9.059
  801    HB2  ASN 105           HB2      ASN 105  11.952  10.022   8.588
  802    HB3  ASN 105           HB1      ASN 105  10.576   9.463   9.530
  803   HD21  ASN 105          HD21      ASN 105  13.958   9.029  10.431
  804   HD22  ASN 105          HD22      ASN 105  13.898  10.063  11.816
  805    H    ALA 106           HN       ALA 106   9.867   6.813   9.694
  806    HA   ALA 106           HA       ALA 106  10.453   6.452  12.520
  807    HB1  ALA 106           HB1      ALA 106   8.293   7.385  11.828
  808    HB2  ALA 106           HB2      ALA 106   8.107   5.902  12.765
  809    HB3  ALA 106           HB3      ALA 106   7.911   5.870  11.012
  810    H    ARG 107           HN       ARG 107   9.872   4.451   9.675
  811    HA   ARG 107           HA       ARG 107   9.766   2.071  11.363
  812    HB2  ARG 107           HB2      ARG 107   9.347   2.312   8.384
  813    HB3  ARG 107           HB1      ARG 107   9.026   0.890   9.360
  814    HG2  ARG 107           HG2      ARG 107   7.590   3.535   9.505
  815    HG3  ARG 107           HG1      ARG 107   6.963   2.022   8.852
  816    HD2  ARG 107           HD2      ARG 107   7.698   2.564  11.734
  817    HD3  ARG 107           HD1      ARG 107   6.071   2.418  11.078
  818    HE   ARG 107           HE       ARG 107   7.952   0.157  10.949
  819   HH11  ARG 107          HH11      ARG 107   4.899   1.535  11.985
  820   HH12  ARG 107          HH12      ARG 107   4.260   0.017  12.530
  821   HH21  ARG 107          HH21      ARG 107   7.121  -1.833  11.683
  822   HH22  ARG 107          HH22      ARG 107   5.526  -1.899  12.361
  823    H    GLY 108           HN       GLY 108  12.176   3.782   9.905
  824    HA2  GLY 108           HA2      GLY 108  14.405   3.256   9.593
  825    HA3  GLY 108           HA1      GLY 108  14.059   1.658  10.245
  826    H    VAL 109           HN       VAL 109  12.770   3.340   7.432
  827    HA   VAL 109           HA       VAL 109  13.680   1.103   5.744
  828    HB   VAL 109           HB       VAL 109  11.020   2.550   5.621
  829   HG11  VAL 109          HG11      VAL 109  10.457   1.090   3.754
  830   HG12  VAL 109          HG12      VAL 109  12.076   0.398   3.796
  831   HG13  VAL 109          HG13      VAL 109  11.855   2.093   3.369
  832   HG21  VAL 109          HG21      VAL 109  11.655  -0.341   6.187
  833   HG22  VAL 109          HG22      VAL 109  10.042   0.356   6.060
  834   HG23  VAL 109          HG23      VAL 109  11.115   0.851   7.368
  835    H    ASP 110           HN       ASP 110  14.512   1.694   3.724
  836    HA   ASP 110           HA       ASP 110  14.381   4.552   3.056
  837    HB2  ASP 110           HB2      ASP 110  16.594   3.896   4.152
  838    HB3  ASP 110           HB1      ASP 110  16.910   2.938   2.702
  839    H    PHE 111           HN       PHE 111  13.151   4.505   1.302
  840    HA   PHE 111           HA       PHE 111  12.965   2.275  -0.437
  841    HB2  PHE 111           HB2      PHE 111  11.922   5.096  -0.628
  842    HB3  PHE 111           HB1      PHE 111  11.595   3.878  -1.855
  843    HD1  PHE 111           HD2      PHE 111  11.265   4.511   1.796
  844    HD2  PHE 111           HD1      PHE 111   9.780   2.454  -1.617
  845    HE1  PHE 111           HE2      PHE 111   9.364   3.689   3.123
  846    HE2  PHE 111           HE1      PHE 111   7.881   1.629  -0.300
  847    HZ   PHE 111           HZ       PHE 111   7.669   2.244   2.076
  848    H    GLY 112           HN       GLY 112  14.910   5.178  -0.508
  849    HA2  GLY 112           HA2      GLY 112  15.595   4.988  -3.285
  850    HA3  GLY 112           HA1      GLY 112  16.415   5.968  -2.076
  851    H    SER 113           HN       SER 113  16.800   3.623  -0.338
  852    HA   SER 113           HA       SER 113  19.197   2.612  -1.637
  853    HB2  SER 113           HB2      SER 113  18.242   2.155   1.196
  854    HB3  SER 113           HB1      SER 113  19.871   1.908   0.569
  855    HG   SER 113           HG       SER 113  18.475   4.345   0.968
  856    H    ARG 114           HN       ARG 114  15.999   1.689  -1.177
  857    HA   ARG 114           HA       ARG 114  14.820  -0.180  -1.695
  858    HB2  ARG 114           HB2      ARG 114  17.425  -1.124  -2.915
  859    HB3  ARG 114           HB1      ARG 114  15.834  -1.824  -3.214
  860    HG2  ARG 114           HG2      ARG 114  15.087   0.166  -4.304
  861    HG3  ARG 114           HG1      ARG 114  16.550   1.033  -3.838
  862    HD2  ARG 114           HD2      ARG 114  16.751   0.411  -6.135
  863    HD3  ARG 114           HD1      ARG 114  17.861  -0.587  -5.200
  864    HE   ARG 114           HE       ARG 114  16.130  -2.369  -5.372
  865   HH11  ARG 114          HH11      ARG 114  16.256   0.208  -7.744
  866   HH12  ARG 114          HH12      ARG 114  15.496  -0.730  -8.986
  867   HH21  ARG 114          HH21      ARG 114  15.160  -3.611  -7.022
  868   HH22  ARG 114          HH22      ARG 114  14.878  -2.896  -8.581
  869    H    THR 115           HN       THR 115  16.489   0.035   0.785
  870    HA   THR 115           HA       THR 115  16.382  -2.783   1.561
  871    HB   THR 115           HB       THR 115  18.503  -2.199   2.982
  872    HG1  THR 115           HG1      THR 115  18.953  -0.508   0.743
  873   HG21  THR 115          HG21      THR 115  18.474  -3.937   1.274
  874   HG22  THR 115          HG22      THR 115  19.966  -3.003   1.168
  875   HG23  THR 115          HG23      THR 115  18.665  -2.720   0.012
  876    H    GLN 116           HN       GLN 116  16.677  -2.930   4.051
  877    HA   GLN 116           HA       GLN 116  15.617  -0.618   5.454
  878    HB2  GLN 116           HB2      GLN 116  13.742  -1.912   6.418
  879    HB3  GLN 116           HB1      GLN 116  13.594  -1.714   4.678
  880    HG2  GLN 116           HG2      GLN 116  14.344  -3.974   4.308
  881    HG3  GLN 116           HG1      GLN 116  14.645  -4.189   6.032
  882   HE21  GLN 116          HE21      GLN 116  11.891  -2.435   4.853
  883   HE22  GLN 116          HE22      GLN 116  10.704  -3.602   5.309
  884    H    ALA 117           HN       ALA 117  15.822  -0.746   7.725
  885    HA   ALA 117           HA       ALA 117  17.875  -2.648   8.581
  886    HB1  ALA 117           HB1      ALA 117  18.278  -0.259   8.962
  887    HB2  ALA 117           HB2      ALA 117  18.202  -1.157  10.477
  888    HB3  ALA 117           HB3      ALA 117  16.829  -0.179   9.961
  889    H    ASP 118           HN       ASP 118  14.737  -2.843   8.383
  890    HA   ASP 118           HA       ASP 118  14.238  -3.835  11.102
  891    HB2  ASP 118           HB2      ASP 118  12.628  -2.215   9.785
  892    HB3  ASP 118           HB1      ASP 118  12.131  -3.689   8.958
  893    H    ALA 119           HN       ALA 119  12.829  -5.883  11.113
  894    HA   ALA 119           HA       ALA 119  14.105  -7.922   9.536
  895    HB1  ALA 119           HB1      ALA 119  11.763  -8.077  11.442
  896    HB2  ALA 119           HB2      ALA 119  13.452  -8.384  11.843
  897    HB3  ALA 119           HB3      ALA 119  12.598  -9.461  10.737
  898    H    LEU 120           HN       LEU 120  10.952  -6.358   9.697
  899    HA   LEU 120           HA       LEU 120  10.326  -6.830   6.974
  900    HB2  LEU 120           HB2      LEU 120   9.881  -9.091   7.809
  901    HB3  LEU 120           HB1      LEU 120   8.876  -8.445   9.084
  902    HG   LEU 120           HG       LEU 120   7.276  -7.638   7.368
  903   HD11  LEU 120          HD11      LEU 120   8.758  -7.401   5.490
  904   HD12  LEU 120          HD12      LEU 120   7.478  -8.545   5.091
  905   HD13  LEU 120          HD13      LEU 120   9.091  -9.133   5.493
  906   HD21  LEU 120          HD21      LEU 120   7.900 -10.584   7.270
  907   HD22  LEU 120          HD22      LEU 120   6.366  -9.834   6.828
  908   HD23  LEU 120          HD23      LEU 120   6.930  -9.768   8.497
  909    H    VAL 121           HN       VAL 121   8.759  -5.287   6.378
  910    HA   VAL 121           HA       VAL 121   7.777  -3.743   8.673
  911    HB   VAL 121           HB       VAL 121   9.292  -2.419   7.342
  912   HG11  VAL 121          HG11      VAL 121   7.444  -2.775   5.001
  913   HG12  VAL 121          HG12      VAL 121   8.971  -3.629   5.203
  914   HG13  VAL 121          HG13      VAL 121   8.956  -1.872   5.041
  915   HG21  VAL 121          HG21      VAL 121   7.445  -1.248   8.381
  916   HG22  VAL 121          HG22      VAL 121   6.429  -1.549   6.972
  917   HG23  VAL 121          HG23      VAL 121   7.839  -0.501   6.833
  918    H    LEU 122           HN       LEU 122   5.904  -4.656   9.089
  919    HA   LEU 122           HA       LEU 122   3.855  -4.733   6.990
  920    HB2  LEU 122           HB2      LEU 122   3.738  -5.815   9.813
  921    HB3  LEU 122           HB1      LEU 122   2.568  -6.100   8.540
  922    HG   LEU 122           HG       LEU 122   5.423  -7.097   8.543
  923   HD11  LEU 122          HD11      LEU 122   4.058  -8.228  10.210
  924   HD12  LEU 122          HD12      LEU 122   4.425  -9.302   8.862
  925   HD13  LEU 122          HD13      LEU 122   2.829  -8.566   8.991
  926   HD21  LEU 122          HD21      LEU 122   4.633  -6.697   6.289
  927   HD22  LEU 122          HD22      LEU 122   3.153  -7.595   6.623
  928   HD23  LEU 122          HD23      LEU 122   4.706  -8.429   6.606
  929    H    LEU 123           HN       LEU 123   2.051  -3.395   7.118
  930    HA   LEU 123           HA       LEU 123   2.049  -1.503   9.364
  931    HB2  LEU 123           HB2      LEU 123   1.623  -0.774   6.462
  932    HB3  LEU 123           HB1      LEU 123   1.473   0.323   7.820
  933    HG   LEU 123           HG       LEU 123   4.003  -0.965   6.803
  934   HD11  LEU 123          HD11      LEU 123   4.680   1.322   6.331
  935   HD12  LEU 123          HD12      LEU 123   3.135   1.918   6.938
  936   HD13  LEU 123          HD13      LEU 123   3.186   0.926   5.481
  937   HD21  LEU 123          HD21      LEU 123   3.598   0.824   9.195
  938   HD22  LEU 123          HD22      LEU 123   5.159   0.359   8.519
  939   HD23  LEU 123          HD23      LEU 123   4.104  -0.865   9.223
  940    H    GLY 124           HN       GLY 124   0.267  -2.082  10.414
  941    HA2  GLY 124           HA2      GLY 124  -2.183  -2.542   8.837
  942    HA3  GLY 124           HA1      GLY 124  -1.849  -3.303  10.385
  943    H    GLY 125           HN       GLY 125  -4.213  -1.902   9.864
  944    HA2  GLY 125           HA2      GLY 125  -5.555  -0.449  11.041
  945    HA3  GLY 125           HA1      GLY 125  -4.170  -0.066  12.055
  946    H    LEU 126           HN       LEU 126  -3.891   0.299   8.617
  947    HA   LEU 126           HA       LEU 126  -3.525   3.144   8.945
  948    HB2  LEU 126           HB2      LEU 126  -3.127   1.209   6.708
  949    HB3  LEU 126           HB1      LEU 126  -3.285   2.914   6.327
  950    HG   LEU 126           HG       LEU 126  -1.348   3.402   7.786
  951   HD11  LEU 126          HD11      LEU 126  -1.580   1.478   9.300
  952   HD12  LEU 126          HD12      LEU 126   0.039   1.612   8.623
  953   HD13  LEU 126          HD13      LEU 126  -1.083   0.407   7.990
  954   HD21  LEU 126          HD21      LEU 126  -1.048   3.056   5.390
  955   HD22  LEU 126          HD22      LEU 126  -0.835   1.328   5.660
  956   HD23  LEU 126          HD23      LEU 126   0.345   2.471   6.299
  957    H    ASP 127           HN       ASP 127  -4.607   4.729   7.668
  958    HA   ASP 127           HA       ASP 127  -7.325   3.989   6.808
  959    HB2  ASP 127           HB2      ASP 127  -6.562   6.368   8.536
  960    HB3  ASP 127           HB1      ASP 127  -8.143   6.153   7.791
  961    H    PHE 128           HN       PHE 128  -8.274   6.069   5.637
  962    HA   PHE 128           HA       PHE 128  -6.182   6.895   3.746
  963    HB2  PHE 128           HB2      PHE 128  -9.153   6.524   3.419
  964    HB3  PHE 128           HB1      PHE 128  -8.199   7.430   2.250
  965    HD1  PHE 128           HD2      PHE 128  -8.877   4.124   3.669
  966    HD2  PHE 128           HD1      PHE 128  -6.632   6.302   0.782
  967    HE1  PHE 128           HE2      PHE 128  -8.281   2.017   2.544
  968    HE2  PHE 128           HE1      PHE 128  -6.039   4.202  -0.347
  969    HZ   PHE 128           HZ       PHE 128  -6.824   2.066   0.532
  970    H    GLU 129           HN       GLU 129  -6.725   8.125   6.314
  971    HA   GLU 129           HA       GLU 129  -7.867  10.715   5.659
  972    HB2  GLU 129           HB2      GLU 129  -6.580   9.767   8.228
  973    HB3  GLU 129           HB1      GLU 129  -7.509  11.241   8.009
  974    HG2  GLU 129           HG2      GLU 129  -9.497   9.893   7.511
  975    HG3  GLU 129           HG1      GLU 129  -8.555   8.432   7.801
  976    H    ALA 130           HN       ALA 130  -6.693  12.633   5.639
  977    HA   ALA 130           HA       ALA 130  -3.886  12.678   6.210
  978    HB1  ALA 130           HB1      ALA 130  -3.124  13.281   3.977
  979    HB2  ALA 130           HB2      ALA 130  -4.748  13.032   3.343
  980    HB3  ALA 130           HB3      ALA 130  -3.836  11.668   3.983
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -31.208  -8.115  -2.508
    2    H2   GLY   1           HT2      GLY   1 -31.282  -8.935  -1.032
    3    H3   GLY   1           HT3      GLY   1 -32.151  -9.512  -2.363
    4    HA2  GLY   1           HA1      GLY   1 -30.088  -9.973  -3.539
    5    HA3  GLY   1           HA2      GLY   1 -29.198  -9.403  -2.135
    6    H    ALA   2           HN       ALA   2 -28.191 -11.336  -1.640
    7    HA   ALA   2           HA       ALA   2 -30.003 -13.425  -0.627
    8    HB1  ALA   2           HB1      ALA   2 -28.986 -14.162  -2.748
    9    HB2  ALA   2           HB2      ALA   2 -28.469 -15.151  -1.382
   10    HB3  ALA   2           HB3      ALA   2 -27.386 -13.929  -2.045
   11    H    MET   3           HN       MET   3 -28.694 -11.171   0.661
   12    HA   MET   3           HA       MET   3 -27.508 -10.615   2.509
   13    HB2  MET   3           HB2      MET   3 -27.899 -13.549   3.143
   14    HB3  MET   3           HB1      MET   3 -27.297 -12.358   4.289
   15    HG2  MET   3           HG2      MET   3 -30.017 -12.398   2.994
   16    HG3  MET   3           HG1      MET   3 -29.639 -12.777   4.674
   17    HE1  MET   3           HE1      MET   3 -31.442 -11.104   5.572
   18    HE2  MET   3           HE2      MET   3 -31.905 -10.733   3.910
   19    HE3  MET   3           HE3      MET   3 -31.578  -9.426   5.047
   20    H    GLY   4           HN       GLY   4 -26.035 -11.155   0.205
   21    HA2  GLY   4           HA2      GLY   4 -23.496 -11.972   1.415
   22    HA3  GLY   4           HA1      GLY   4 -24.007 -12.759  -0.070
   23    H    MET   5           HN       MET   5 -22.781  -9.846   1.362
   24    HA   MET   5           HA       MET   5 -22.061  -8.930  -1.335
   25    HB2  MET   5           HB2      MET   5 -22.544  -6.620  -0.761
   26    HB3  MET   5           HB1      MET   5 -23.991  -7.600  -0.561
   27    HG2  MET   5           HG2      MET   5 -23.658  -7.647   1.838
   28    HG3  MET   5           HG1      MET   5 -22.162  -6.732   1.669
   29    HE1  MET   5           HE1      MET   5 -26.370  -5.064   0.784
   30    HE2  MET   5           HE2      MET   5 -26.040  -6.708   1.329
   31    HE3  MET   5           HE3      MET   5 -25.565  -6.203  -0.293
   32    H    SER   6           HN       SER   6 -21.002  -9.938   1.579
   33    HA   SER   6           HA       SER   6 -19.044  -8.056   2.286
   34    HB2  SER   6           HB2      SER   6 -19.839  -9.858   3.794
   35    HB3  SER   6           HB1      SER   6 -18.997 -11.036   2.794
   36    HG   SER   6           HG       SER   6 -17.988  -9.177   4.598
   37    HA   PRO   7           HA       PRO   7 -15.920 -10.630  -0.389
   38    HB2  PRO   7           HB2      PRO   7 -17.016 -12.139  -2.385
   39    HB3  PRO   7           HB1      PRO   7 -16.561 -12.787  -0.808
   40    HG2  PRO   7           HG2      PRO   7 -19.254 -11.948  -1.804
   41    HG3  PRO   7           HG1      PRO   7 -18.808 -13.371  -0.843
   42    HD2  PRO   7           HD2      PRO   7 -19.917 -11.182   0.272
   43    HD3  PRO   7           HD1      PRO   7 -18.706 -12.161   1.126
   44    H    ASP   8           HN       ASP   8 -18.848  -9.182  -1.446
   45    HA   ASP   8           HA       ASP   8 -17.912  -8.405  -4.051
   46    HB2  ASP   8           HB2      ASP   8 -20.345  -7.752  -2.432
   47    HB3  ASP   8           HB1      ASP   8 -19.931  -6.746  -3.815
   48    H    THR   9           HN       THR   9 -18.204  -6.826  -0.888
   49    HA   THR   9           HA       THR   9 -17.256  -4.296  -1.722
   50    HB   THR   9           HB       THR   9 -17.039  -5.599   0.999
   51    HG1  THR   9           HG1      THR   9 -18.963  -3.972   1.147
   52   HG21  THR   9          HG21      THR   9 -16.927  -3.295   1.845
   53   HG22  THR   9          HG22      THR   9 -16.936  -2.689   0.188
   54   HG23  THR   9          HG23      THR   9 -15.575  -3.648   0.769
   55    H    ALA  10           HN       ALA  10 -15.669  -7.165  -0.445
   56    HA   ALA  10           HA       ALA  10 -13.054  -6.144  -0.335
   57    HB1  ALA  10           HB1      ALA  10 -13.908  -8.998  -0.786
   58    HB2  ALA  10           HB2      ALA  10 -13.782  -8.210   0.786
   59    HB3  ALA  10           HB3      ALA  10 -12.339  -8.451  -0.199
   60    H    ARG  11           HN       ARG  11 -14.835  -7.816  -2.881
   61    HA   ARG  11           HA       ARG  11 -12.655  -8.004  -4.693
   62    HB2  ARG  11           HB2      ARG  11 -14.614  -9.495  -4.767
   63    HB3  ARG  11           HB1      ARG  11 -15.621  -8.137  -5.243
   64    HG2  ARG  11           HG2      ARG  11 -14.392  -7.917  -7.319
   65    HG3  ARG  11           HG1      ARG  11 -13.308  -9.224  -6.834
   66    HD2  ARG  11           HD2      ARG  11 -15.225 -10.757  -6.748
   67    HD3  ARG  11           HD1      ARG  11 -16.282  -9.449  -7.276
   68    HE   ARG  11           HE       ARG  11 -14.186  -9.756  -9.126
   69   HH11  ARG  11          HH11      ARG  11 -17.068 -11.381  -8.003
   70   HH12  ARG  11          HH12      ARG  11 -17.358 -12.188  -9.511
   71   HH21  ARG  11          HH21      ARG  11 -14.578 -10.810 -11.132
   72   HH22  ARG  11          HH22      ARG  11 -15.945 -11.869 -11.281
   73    H    ARG  12           HN       ARG  12 -15.263  -5.673  -4.255
   74    HA   ARG  12           HA       ARG  12 -14.792  -4.173  -6.591
   75    HB2  ARG  12           HB2      ARG  12 -16.141  -3.550  -3.980
   76    HB3  ARG  12           HB1      ARG  12 -15.941  -2.306  -5.209
   77    HG2  ARG  12           HG2      ARG  12 -17.211  -3.607  -6.793
   78    HG3  ARG  12           HG1      ARG  12 -17.322  -4.946  -5.650
   79    HD2  ARG  12           HD2      ARG  12 -18.450  -2.193  -5.152
   80    HD3  ARG  12           HD1      ARG  12 -19.380  -3.537  -5.807
   81    HE   ARG  12           HE       ARG  12 -18.075  -4.137  -3.316
   82   HH11  ARG  12          HH11      ARG  12 -20.940  -2.811  -4.817
   83   HH12  ARG  12          HH12      ARG  12 -21.948  -3.073  -3.427
   84   HH21  ARG  12          HH21      ARG  12 -19.409  -4.465  -1.457
   85   HH22  ARG  12          HH22      ARG  12 -21.075  -3.991  -1.521
   86    H    PHE  13           HN       PHE  13 -13.525  -3.879  -3.299
   87    HA   PHE  13           HA       PHE  13 -11.894  -1.623  -3.795
   88    HB2  PHE  13           HB2      PHE  13 -12.419  -2.367  -1.523
   89    HB3  PHE  13           HB1      PHE  13 -11.569  -3.878  -1.796
   90    HD1  PHE  13           HD1      PHE  13 -11.157  -0.244  -1.330
   91    HD2  PHE  13           HD2      PHE  13  -9.210  -4.021  -1.580
   92    HE1  PHE  13           HE1      PHE  13  -9.087   0.768  -0.468
   93    HE2  PHE  13           HE2      PHE  13  -7.139  -3.017  -0.718
   94    HZ   PHE  13           HZ       PHE  13  -7.075  -0.621  -0.160
   95    H    ASP  14           HN       ASP  14 -11.410  -5.076  -4.101
   96    HA   ASP  14           HA       ASP  14  -8.684  -5.143  -4.696
   97    HB2  ASP  14           HB2      ASP  14  -9.869  -7.142  -4.084
   98    HB3  ASP  14           HB1      ASP  14 -10.950  -6.988  -5.462
   99    H    THR  15           HN       THR  15 -11.455  -4.568  -6.771
  100    HA   THR  15           HA       THR  15  -9.736  -4.715  -9.129
  101    HB   THR  15           HB       THR  15 -11.860  -5.926  -9.262
  102    HG1  THR  15           HG1      THR  15 -11.675  -3.678 -11.015
  103   HG21  THR  15          HG21      THR  15 -13.981  -4.690  -9.488
  104   HG22  THR  15          HG22      THR  15 -13.144  -3.204  -9.036
  105   HG23  THR  15          HG23      THR  15 -13.278  -4.528  -7.881
  106    H    GLU  16           HN       GLU  16 -11.665  -2.333  -7.352
  107    HA   GLU  16           HA       GLU  16 -11.261  -0.398  -9.491
  108    HB2  GLU  16           HB2      GLU  16 -13.468  -0.790  -8.234
  109    HB3  GLU  16           HB1      GLU  16 -12.729   0.109  -6.916
  110    HG2  GLU  16           HG2      GLU  16 -13.983   1.685  -8.095
  111    HG3  GLU  16           HG1      GLU  16 -12.316   1.954  -8.611
  112    H    PHE  17           HN       PHE  17 -10.258  -0.879  -6.128
  113    HA   PHE  17           HA       PHE  17  -9.025   1.784  -6.202
  114    HB2  PHE  17           HB2      PHE  17  -9.836   0.034  -3.884
  115    HB3  PHE  17           HB1      PHE  17  -8.875   1.495  -3.690
  116    HD1  PHE  17           HD2      PHE  17 -12.194   0.171  -4.595
  117    HD2  PHE  17           HD1      PHE  17  -9.856   3.670  -3.933
  118    HE1  PHE  17           HE2      PHE  17 -14.243   1.525  -4.533
  119    HE2  PHE  17           HE1      PHE  17 -11.906   5.027  -3.874
  120    HZ   PHE  17           HZ       PHE  17 -14.100   3.957  -4.173
  121    H    ALA  18           HN       ALA  18  -8.251  -1.563  -5.224
  122    HA   ALA  18           HA       ALA  18  -5.724  -1.037  -4.217
  123    HB1  ALA  18           HB1      ALA  18  -6.990  -3.130  -3.888
  124    HB2  ALA  18           HB2      ALA  18  -5.302  -3.384  -4.323
  125    HB3  ALA  18           HB3      ALA  18  -6.566  -3.605  -5.531
  126    HA   PRO  19           HA       PRO  19  -3.822  -2.179  -8.604
  127    HB2  PRO  19           HB2      PRO  19  -5.980  -1.038 -10.310
  128    HB3  PRO  19           HB1      PRO  19  -4.953  -2.454 -10.589
  129    HG2  PRO  19           HG2      PRO  19  -7.481  -2.774  -9.885
  130    HG3  PRO  19           HG1      PRO  19  -6.219  -3.807  -9.186
  131    HD2  PRO  19           HD2      PRO  19  -7.614  -1.440  -7.981
  132    HD3  PRO  19           HD1      PRO  19  -7.205  -3.000  -7.240
  133    H    ARG  20           HN       ARG  20  -5.920   0.615  -8.107
  134    HA   ARG  20           HA       ARG  20  -4.261   2.398  -9.611
  135    HB2  ARG  20           HB2      ARG  20  -6.640   2.761  -7.825
  136    HB3  ARG  20           HB1      ARG  20  -5.676   4.159  -8.280
  137    HG2  ARG  20           HG2      ARG  20  -7.525   3.978  -9.784
  138    HG3  ARG  20           HG1      ARG  20  -6.047   3.585 -10.661
  139    HD2  ARG  20           HD2      ARG  20  -6.559   1.172 -10.295
  140    HD3  ARG  20           HD1      ARG  20  -8.103   1.656  -9.596
  141    HE   ARG  20           HE       ARG  20  -7.309   2.168 -12.395
  142   HH11  ARG  20          HH11      ARG  20  -9.758   1.544  -9.971
  143   HH12  ARG  20          HH12      ARG  20 -11.050   1.397 -11.128
  144   HH21  ARG  20          HH21      ARG  20  -9.002   1.977 -13.913
  145   HH22  ARG  20          HH22      ARG  20 -10.617   1.656 -13.368
  146    H    ILE  21           HN       ILE  21  -4.546   1.461  -6.252
  147    HA   ILE  21           HA       ILE  21  -2.793   3.414  -5.185
  148    HB   ILE  21           HB       ILE  21  -3.374   0.621  -4.173
  149   HG12  ILE  21          HG12      ILE  21  -4.577   3.270  -3.351
  150   HG13  ILE  21          HG11      ILE  21  -5.371   2.090  -4.386
  151   HG21  ILE  21          HG21      ILE  21  -1.300   1.583  -3.250
  152   HG22  ILE  21          HG22      ILE  21  -2.549   1.386  -2.022
  153   HG23  ILE  21          HG23      ILE  21  -2.216   2.983  -2.692
  154   HD11  ILE  21          HD11      ILE  21  -4.597   1.705  -1.500
  155   HD12  ILE  21          HD12      ILE  21  -5.321   0.471  -2.531
  156   HD13  ILE  21          HD13      ILE  21  -6.226   1.934  -2.137
  157    H    ALA  22           HN       ALA  22  -2.326   0.095  -6.312
  158    HA   ALA  22           HA       ALA  22   0.371  -0.183  -5.671
  159    HB1  ALA  22           HB1      ALA  22  -1.119  -1.475  -7.950
  160    HB2  ALA  22           HB2      ALA  22  -1.113  -2.044  -6.280
  161    HB3  ALA  22           HB3      ALA  22   0.380  -2.049  -7.222
  162    H    ARG  23           HN       ARG  23  -1.121   0.936  -8.696
  163    HA   ARG  23           HA       ARG  23   1.367   1.211 -10.048
  164    HB2  ARG  23           HB2      ARG  23  -1.340   2.393 -10.682
  165    HB3  ARG  23           HB1      ARG  23   0.050   2.439 -11.757
  166    HG2  ARG  23           HG2      ARG  23  -1.405  -0.021 -10.806
  167    HG3  ARG  23           HG1      ARG  23  -1.448   0.676 -12.426
  168    HD2  ARG  23           HD2      ARG  23   0.960  -0.512 -11.049
  169    HD3  ARG  23           HD1      ARG  23   0.041  -1.245 -12.360
  170    HE   ARG  23           HE       ARG  23   0.811   1.089 -13.448
  171   HH11  ARG  23          HH11      ARG  23   2.599  -1.375 -11.709
  172   HH12  ARG  23          HH12      ARG  23   4.074  -1.097 -12.580
  173   HH21  ARG  23          HH21      ARG  23   2.755   1.452 -14.591
  174   HH22  ARG  23          HH22      ARG  23   4.157   0.495 -14.232
  175    H    ALA  24           HN       ALA  24  -0.662   3.413  -8.194
  176    HA   ALA  24           HA       ALA  24   0.652   5.803  -8.889
  177    HB1  ALA  24           HB1      ALA  24  -1.521   5.767  -7.761
  178    HB2  ALA  24           HB2      ALA  24  -0.352   6.746  -6.877
  179    HB3  ALA  24           HB3      ALA  24  -0.755   5.127  -6.307
  180    H    ILE  25           HN       ILE  25   1.156   3.529  -6.228
  181    HA   ILE  25           HA       ILE  25   3.291   4.889  -5.008
  182    HB   ILE  25           HB       ILE  25   2.665   1.931  -4.994
  183   HG12  ILE  25          HG12      ILE  25   1.960   4.128  -3.028
  184   HG13  ILE  25          HG11      ILE  25   0.838   3.353  -4.141
  185   HG21  ILE  25          HG21      ILE  25   4.959   2.297  -4.323
  186   HG22  ILE  25          HG22      ILE  25   3.989   1.885  -2.908
  187   HG23  ILE  25          HG23      ILE  25   4.461   3.559  -3.197
  188   HD11  ILE  25          HD11      ILE  25   1.184   1.223  -2.997
  189   HD12  ILE  25          HD12      ILE  25   0.600   2.471  -1.896
  190   HD13  ILE  25          HD13      ILE  25   2.302   2.009  -1.882
  191    H    ALA  26           HN       ALA  26   3.244   2.317  -7.451
  192    HA   ALA  26           HA       ALA  26   5.998   1.867  -7.614
  193    HB1  ALA  26           HB1      ALA  26   5.540   0.885  -9.804
  194    HB2  ALA  26           HB2      ALA  26   3.934   1.614  -9.798
  195    HB3  ALA  26           HB3      ALA  26   4.345   0.375  -8.612
  196    H    ASP  27           HN       ASP  27   3.939   4.187  -9.277
  197    HA   ASP  27           HA       ASP  27   5.987   5.255 -10.942
  198    HB2  ASP  27           HB2      ASP  27   3.644   5.497 -11.549
  199    HB3  ASP  27           HB1      ASP  27   3.327   6.406 -10.076
  200    H    LEU  28           HN       LEU  28   4.733   6.032  -7.766
  201    HA   LEU  28           HA       LEU  28   5.959   8.569  -7.502
  202    HB2  LEU  28           HB2      LEU  28   4.078   7.844  -6.096
  203    HB3  LEU  28           HB1      LEU  28   5.081   6.595  -5.387
  204    HG   LEU  28           HG       LEU  28   6.574   8.441  -4.510
  205   HD11  LEU  28          HD11      LEU  28   5.904  10.238  -5.964
  206   HD12  LEU  28          HD12      LEU  28   5.514  10.662  -4.299
  207   HD13  LEU  28          HD13      LEU  28   4.240  10.128  -5.393
  208   HD21  LEU  28          HD21      LEU  28   3.710   8.317  -3.577
  209   HD22  LEU  28          HD22      LEU  28   5.057   8.964  -2.641
  210   HD23  LEU  28          HD23      LEU  28   5.022   7.253  -3.073
  211    H    LEU  29           HN       LEU  29   6.914   5.296  -6.650
  212    HA   LEU  29           HA       LEU  29   9.365   6.101  -5.400
  213    HB2  LEU  29           HB2      LEU  29   8.520   3.368  -6.365
  214    HB3  LEU  29           HB1      LEU  29   9.836   3.714  -5.258
  215    HG   LEU  29           HG       LEU  29   6.900   4.133  -4.726
  216   HD11  LEU  29          HD11      LEU  29   7.518   1.807  -4.653
  217   HD12  LEU  29          HD12      LEU  29   7.249   2.398  -3.013
  218   HD13  LEU  29          HD13      LEU  29   8.892   2.173  -3.611
  219   HD21  LEU  29          HD21      LEU  29   9.314   4.747  -3.041
  220   HD22  LEU  29          HD22      LEU  29   7.674   4.641  -2.405
  221   HD23  LEU  29          HD23      LEU  29   8.078   5.872  -3.601
  222    H    ASN  30           HN       ASN  30   8.637   6.493  -8.447
  223    HA   ASN  30           HA       ASN  30   9.790   6.740 -10.385
  224    HB2  ASN  30           HB2      ASN  30  12.150   6.434  -8.515
  225    HB3  ASN  30           HB1      ASN  30  12.328   6.790 -10.227
  226   HD21  ASN  30          HD21      ASN  30  11.843   8.828 -10.976
  227   HD22  ASN  30          HD22      ASN  30  11.550  10.168  -9.924
  228    H    HIS  31           HN       HIS  31   8.868   4.109  -9.577
  229    HA   HIS  31           HA       HIS  31   8.992   1.926 -10.191
  230    HB2  HIS  31           HB2      HIS  31  10.619   3.144 -12.426
  231    HB3  HIS  31           HB1      HIS  31  10.194   1.437 -12.373
  232    HD1  HIS  31           HD1      HIS  31   7.660   0.835 -12.642
  233    HD2  HIS  31           HD2      HIS  31   8.582   4.849 -13.246
  234    HE1  HIS  31           HE1      HIS  31   5.643   1.837 -13.768
  235    HE2  HIS  31           HE2      HIS  31   6.247   4.246 -14.181
  236    H    ARG  32           HN       ARG  32  10.886   2.827  -8.238
  237    HA   ARG  32           HA       ARG  32  13.206   1.125  -8.761
  238    HB2  ARG  32           HB2      ARG  32  12.582   3.123  -6.587
  239    HB3  ARG  32           HB1      ARG  32  13.985   2.063  -6.523
  240    HG2  ARG  32           HG2      ARG  32  14.854   3.032  -8.561
  241    HG3  ARG  32           HG1      ARG  32  13.413   4.034  -8.731
  242    HD2  ARG  32           HD2      ARG  32  15.261   4.160  -6.360
  243    HD3  ARG  32           HD1      ARG  32  15.436   5.184  -7.784
  244    HE   ARG  32           HE       ARG  32  12.803   5.374  -6.761
  245   HH11  ARG  32          HH11      ARG  32  16.087   6.328  -6.041
  246   HH12  ARG  32          HH12      ARG  32  15.629   7.796  -5.240
  247   HH21  ARG  32          HH21      ARG  32  12.186   7.328  -5.695
  248   HH22  ARG  32          HH22      ARG  32  13.414   8.366  -5.049
  249    H    ALA  33           HN       ALA  33  10.207   0.651  -7.814
  250    HA   ALA  33           HA       ALA  33  10.892  -1.717  -6.294
  251    HB1  ALA  33           HB1      ALA  33  10.514  -0.036  -4.560
  252    HB2  ALA  33           HB2      ALA  33   9.246  -1.263  -4.545
  253    HB3  ALA  33           HB3      ALA  33   8.931   0.322  -5.249
  254    H    HIS  34           HN       HIS  34   9.221  -3.281  -6.291
  255    HA   HIS  34           HA       HIS  34   7.253  -2.878  -8.447
  256    HB2  HIS  34           HB2      HIS  34   8.823  -4.641  -9.000
  257    HB3  HIS  34           HB1      HIS  34   8.616  -5.386  -7.420
  258    HD1  HIS  34           HD1      HIS  34   6.958  -5.065 -10.768
  259    HD2  HIS  34           HD2      HIS  34   6.359  -6.995  -7.136
  260    HE1  HIS  34           HE1      HIS  34   5.147  -6.758 -11.190
  261    HE2  HIS  34           HE2      HIS  34   4.667  -7.771  -8.926
  262    H    THR  35           HN       THR  35   5.140  -3.023  -7.967
  263    HA   THR  35           HA       THR  35   4.458  -3.829  -5.219
  264    HB   THR  35           HB       THR  35   2.458  -2.369  -5.472
  265    HG1  THR  35           HG1      THR  35   2.809  -0.745  -7.283
  266   HG21  THR  35          HG21      THR  35   4.575  -1.594  -4.409
  267   HG22  THR  35          HG22      THR  35   3.632  -0.288  -5.129
  268   HG23  THR  35          HG23      THR  35   5.058  -0.911  -5.961
  269    H    ASP  36           HN       ASP  36   2.740  -5.204  -4.875
  270    HA   ASP  36           HA       ASP  36   1.480  -6.345  -7.279
  271    HB2  ASP  36           HB2      ASP  36   2.512  -7.839  -4.860
  272    HB3  ASP  36           HB1      ASP  36   1.420  -8.551  -6.039
  273    H    VAL  37           HN       VAL  37  -0.658  -6.574  -7.215
  274    HA   VAL  37           HA       VAL  37  -2.077  -5.641  -4.862
  275    HB   VAL  37           HB       VAL  37  -3.173  -6.562  -7.528
  276   HG11  VAL  37          HG11      VAL  37  -4.504  -5.032  -5.295
  277   HG12  VAL  37          HG12      VAL  37  -4.802  -6.719  -5.710
  278   HG13  VAL  37          HG13      VAL  37  -5.231  -5.443  -6.848
  279   HG21  VAL  37          HG21      VAL  37  -3.450  -4.183  -8.029
  280   HG22  VAL  37          HG22      VAL  37  -1.755  -4.597  -7.784
  281   HG23  VAL  37          HG23      VAL  37  -2.654  -3.767  -6.511
  282    H    VAL  38           HN       VAL  38  -1.918  -7.212  -3.334
  283    HA   VAL  38           HA       VAL  38  -2.377  -9.983  -3.912
  284    HB   VAL  38           HB       VAL  38  -2.304  -8.565  -1.241
  285   HG11  VAL  38          HG11      VAL  38  -3.422 -10.687  -1.058
  286   HG12  VAL  38          HG12      VAL  38  -1.814 -10.812  -0.347
  287   HG13  VAL  38          HG13      VAL  38  -2.125 -11.485  -1.944
  288   HG21  VAL  38          HG21      VAL  38  -0.213  -8.277  -2.441
  289   HG22  VAL  38          HG22      VAL  38  -0.126 -10.013  -2.741
  290   HG23  VAL  38          HG23      VAL  38   0.002  -9.396  -1.095
  291    H    GLY  39           HN       GLY  39  -4.297 -10.880  -4.176
  292    HA2  GLY  39           HA2      GLY  39  -6.668  -9.307  -3.837
  293    HA3  GLY  39           HA1      GLY  39  -6.584 -10.954  -4.449
  294    H    TYR  40           HN       TYR  40  -8.602 -10.139  -2.777
  295    HA   TYR  40           HA       TYR  40  -8.157 -10.694  -0.046
  296    HB2  TYR  40           HB2      TYR  40 -10.155  -9.504  -0.933
  297    HB3  TYR  40           HB1      TYR  40 -10.705 -11.013  -1.658
  298    HD1  TYR  40           HD1      TYR  40  -9.988  -9.361   1.590
  299    HD2  TYR  40           HD2      TYR  40 -11.967 -12.567  -0.394
  300    HE1  TYR  40           HE1      TYR  40 -11.196  -9.894   3.667
  301    HE2  TYR  40           HE2      TYR  40 -13.180 -13.102   1.677
  302    HH   TYR  40           HH       TYR  40 -12.937 -12.782   4.090
  303    H    GLY  41           HN       GLY  41  -7.491 -12.555   0.762
  304    HA2  GLY  41           HA2      GLY  41  -7.813 -15.004  -0.786
  305    HA3  GLY  41           HA1      GLY  41  -6.814 -14.799   0.651
  306    H    GLY  42           HN       GLY  42  -8.993 -13.563   2.164
  307    HA2  GLY  42           HA2      GLY  42 -11.348 -14.739   2.457
  308    HA3  GLY  42           HA1      GLY  42 -10.281 -16.041   2.981
  309    H    HIS  43           HN       HIS  43 -11.453 -15.782   5.042
  310    HA   HIS  43           HA       HIS  43 -11.291 -13.446   6.580
  311    HB2  HIS  43           HB2      HIS  43 -11.688 -14.968   8.550
  312    HB3  HIS  43           HB1      HIS  43 -12.864 -15.116   7.251
  313    HD1  HIS  43           HD1      HIS  43 -13.146 -17.385   6.192
  314    HD2  HIS  43           HD2      HIS  43  -9.890 -17.216   8.776
  315    HE1  HIS  43           HE1      HIS  43 -12.358 -19.756   6.446
  316    HE2  HIS  43           HE2      HIS  43 -10.288 -19.603   7.869
  317    H    GLY  44           HN       GLY  44  -9.606 -12.448   7.399
  318    HA2  GLY  44           HA2      GLY  44  -7.719 -12.330   8.818
  319    HA3  GLY  44           HA1      GLY  44  -7.399 -14.025   8.499
  320    H    HIS  45           HN       HIS  45  -8.066 -12.848   5.557
  321    HA   HIS  45           HA       HIS  45  -5.380 -11.773   5.072
  322    HB2  HIS  45           HB2      HIS  45  -5.385 -14.251   4.609
  323    HB3  HIS  45           HB1      HIS  45  -6.594 -13.961   3.365
  324    HD1  HIS  45           HD1      HIS  45  -2.957 -13.675   4.061
  325    HD2  HIS  45           HD2      HIS  45  -5.621 -12.687   1.029
  326    HE1  HIS  45           HE1      HIS  45  -1.534 -13.112   2.070
  327    HE2  HIS  45           HE2      HIS  45  -3.176 -12.744   0.200
  328    HA   PRO  46           HA       PRO  46  -8.586  -9.319   2.936
  329    HB2  PRO  46           HB2      PRO  46  -7.683  -6.898   3.674
  330    HB3  PRO  46           HB1      PRO  46  -8.603  -7.921   4.792
  331    HG2  PRO  46           HG2      PRO  46  -5.652  -7.450   4.632
  332    HG3  PRO  46           HG1      PRO  46  -6.691  -7.577   6.064
  333    HD2  PRO  46           HD2      PRO  46  -5.127  -9.624   5.071
  334    HD3  PRO  46           HD1      PRO  46  -6.557  -9.854   6.095
  335    H    THR  47           HN       THR  47  -8.370  -7.622   1.253
  336    HA   THR  47           HA       THR  47  -6.266  -8.054  -0.563
  337    HB   THR  47           HB       THR  47  -8.079  -5.632  -0.442
  338    HG1  THR  47           HG1      THR  47  -9.080  -7.311  -2.147
  339   HG21  THR  47          HG21      THR  47  -6.227  -5.472  -2.056
  340   HG22  THR  47          HG22      THR  47  -7.780  -5.604  -2.879
  341   HG23  THR  47          HG23      THR  47  -6.720  -7.007  -2.772
  342    H    GLN  48           HN       GLN  48  -4.331  -7.057  -0.783
  343    HA   GLN  48           HA       GLN  48  -3.679  -4.676   0.711
  344    HB2  GLN  48           HB2      GLN  48  -1.847  -5.782   1.998
  345    HB3  GLN  48           HB1      GLN  48  -3.457  -6.275   2.498
  346    HG2  GLN  48           HG2      GLN  48  -3.131  -8.294   0.978
  347    HG3  GLN  48           HG1      GLN  48  -1.429  -7.833   0.932
  348   HE21  GLN  48          HE21      GLN  48  -0.747  -9.702   2.009
  349   HE22  GLN  48          HE22      GLN  48  -1.061  -9.966   3.687
  350    H    VAL  49           HN       VAL  49  -1.629  -3.796   0.115
  351    HA   VAL  49           HA       VAL  49  -0.613  -5.004  -2.366
  352    HB   VAL  49           HB       VAL  49  -1.681  -2.866  -2.805
  353   HG11  VAL  49          HG11      VAL  49  -0.768  -0.771  -1.904
  354   HG12  VAL  49          HG12      VAL  49   0.308  -1.702  -0.861
  355   HG13  VAL  49          HG13      VAL  49  -1.439  -1.802  -0.639
  356   HG21  VAL  49          HG21      VAL  49   1.322  -2.703  -3.011
  357   HG22  VAL  49          HG22      VAL  49   0.173  -1.734  -3.933
  358   HG23  VAL  49          HG23      VAL  49   0.238  -3.482  -4.163
  359    H    ARG  50           HN       ARG  50   1.323  -5.816  -2.266
  360    HA   ARG  50           HA       ARG  50   3.107  -5.011  -0.102
  361    HB2  ARG  50           HB2      ARG  50   4.422  -6.972  -0.616
  362    HB3  ARG  50           HB1      ARG  50   2.732  -7.432  -0.493
  363    HG2  ARG  50           HG2      ARG  50   2.542  -7.552  -2.888
  364    HG3  ARG  50           HG1      ARG  50   4.187  -6.944  -3.083
  365    HD2  ARG  50           HD2      ARG  50   5.000  -8.943  -1.842
  366    HD3  ARG  50           HD1      ARG  50   3.348  -9.558  -1.840
  367    HE   ARG  50           HE       ARG  50   4.280  -8.911  -4.476
  368   HH11  ARG  50          HH11      ARG  50   4.383 -11.373  -1.976
  369   HH12  ARG  50          HH12      ARG  50   4.640 -12.669  -3.097
  370   HH21  ARG  50          HH21      ARG  50   4.624 -10.609  -5.933
  371   HH22  ARG  50          HH22      ARG  50   4.776 -12.237  -5.352
  372    H    ILE  51           HN       ILE  51   4.961  -3.945  -0.377
  373    HA   ILE  51           HA       ILE  51   5.727  -3.225  -3.125
  374    HB   ILE  51           HB       ILE  51   6.478  -1.735  -0.602
  375   HG12  ILE  51          HG12      ILE  51   4.276  -1.053  -2.565
  376   HG13  ILE  51          HG11      ILE  51   4.008  -1.728  -0.962
  377   HG21  ILE  51          HG21      ILE  51   6.579  -0.966  -3.518
  378   HG22  ILE  51          HG22      ILE  51   7.961  -1.399  -2.513
  379   HG23  ILE  51          HG23      ILE  51   7.042   0.066  -2.167
  380   HD11  ILE  51          HD11      ILE  51   5.295   0.925  -1.559
  381   HD12  ILE  51          HD12      ILE  51   4.990   0.255   0.041
  382   HD13  ILE  51          HD13      ILE  51   3.640   0.675  -1.007
  383    H    VAL  52           HN       VAL  52   7.381  -4.413  -3.771
  384    HA   VAL  52           HA       VAL  52   9.452  -5.146  -1.811
  385    HB   VAL  52           HB       VAL  52   8.728  -6.621  -4.357
  386   HG11  VAL  52          HG11      VAL  52  11.085  -6.850  -3.731
  387   HG12  VAL  52          HG12      VAL  52  10.213  -8.370  -3.544
  388   HG13  VAL  52          HG13      VAL  52  10.605  -7.403  -2.125
  389   HG21  VAL  52          HG21      VAL  52   6.957  -6.831  -2.693
  390   HG22  VAL  52          HG22      VAL  52   8.136  -7.353  -1.489
  391   HG23  VAL  52          HG23      VAL  52   7.811  -8.360  -2.901
  392    H    ALA  53           HN       ALA  53  11.466  -4.469  -2.205
  393    HA   ALA  53           HA       ALA  53  11.976  -3.214  -4.821
  394    HB1  ALA  53           HB1      ALA  53  11.759  -1.592  -2.943
  395    HB2  ALA  53           HB2      ALA  53  13.325  -1.546  -3.750
  396    HB3  ALA  53           HB3      ALA  53  13.163  -2.348  -2.190
  397    HA   PRO  54           HA       PRO  54  15.129  -6.493  -4.831
  398    HB2  PRO  54           HB2      PRO  54  15.546  -5.333  -7.530
  399    HB3  PRO  54           HB1      PRO  54  15.271  -7.018  -7.061
  400    HG2  PRO  54           HG2      PRO  54  13.363  -5.600  -8.277
  401    HG3  PRO  54           HG1      PRO  54  12.970  -6.760  -6.996
  402    HD2  PRO  54           HD2      PRO  54  13.145  -3.771  -6.857
  403    HD3  PRO  54           HD1      PRO  54  11.964  -4.867  -6.107
  404    H    HIS  55           HN       HIS  55  16.801  -5.808  -3.600
  405    HA   HIS  55           HA       HIS  55  17.899  -3.198  -3.869
  406    HB2  HIS  55           HB2      HIS  55  19.405  -3.784  -2.066
  407    HB3  HIS  55           HB1      HIS  55  17.791  -4.357  -1.685
  408    HD1  HIS  55           HD1      HIS  55  17.436  -6.997  -1.819
  409    HD2  HIS  55           HD2      HIS  55  21.372  -5.702  -2.104
  410    HE1  HIS  55           HE1      HIS  55  18.848  -9.022  -1.367
  411    HE2  HIS  55           HE2      HIS  55  21.211  -8.159  -1.325
  412    H    ALA  56           HN       ALA  56  19.135  -2.598  -5.474
  413    HA   ALA  56           HA       ALA  56  20.838  -4.431  -6.893
  414    HB1  ALA  56           HB1      ALA  56  19.722  -2.568  -8.047
  415    HB2  ALA  56           HB2      ALA  56  21.475  -2.501  -8.225
  416    HB3  ALA  56           HB3      ALA  56  20.664  -1.424  -7.090
  417    H    GLU  57           HN       GLU  57  21.097  -2.042  -4.407
  418    HA   GLU  57           HA       GLU  57  23.936  -1.937  -4.254
  419    HB2  GLU  57           HB2      GLU  57  22.531  -0.145  -3.360
  420    HB3  GLU  57           HB1      GLU  57  21.780  -1.265  -2.237
  421    HG2  GLU  57           HG2      GLU  57  23.441   0.186  -1.170
  422    HG3  GLU  57           HG1      GLU  57  23.844  -1.526  -1.035
  423    H    HIS  58           HN       HIS  58  25.214  -3.541  -3.588
  424    HA   HIS  58           HA       HIS  58  24.219  -5.308  -1.460
  425    HB2  HIS  58           HB2      HIS  58  25.233  -7.264  -2.545
  426    HB3  HIS  58           HB1      HIS  58  23.982  -6.547  -3.550
  427    HD1  HIS  58           HD1      HIS  58  27.679  -7.128  -3.392
  428    HD2  HIS  58           HD2      HIS  58  24.870  -5.498  -5.987
  429    HE1  HIS  58           HE1      HIS  58  28.874  -6.827  -5.583
  430    HE2  HIS  58           HE2      HIS  58  27.181  -5.749  -7.107
  431    H    VAL  59           HN       VAL  59  26.265  -3.008  -1.953
  432    HA   VAL  59           HA       VAL  59  28.499  -4.349  -0.563
  433    HB   VAL  59           HB       VAL  59  28.570  -1.737  -2.093
  434   HG11  VAL  59          HG11      VAL  59  30.173  -1.767  -0.279
  435   HG12  VAL  59          HG12      VAL  59  31.012  -1.926  -1.823
  436   HG13  VAL  59          HG13      VAL  59  30.770  -3.341  -0.800
  437   HG21  VAL  59          HG21      VAL  59  28.289  -3.617  -3.607
  438   HG22  VAL  59          HG22      VAL  59  29.640  -4.455  -2.845
  439   HG23  VAL  59          HG23      VAL  59  29.921  -2.962  -3.740
  440    H    ARG  60           HN       ARG  60  26.280  -1.663  -0.604
  441    HA   ARG  60           HA       ARG  60  27.085  -0.976   2.151
  442    HB2  ARG  60           HB2      ARG  60  25.865   0.814   0.033
  443    HB3  ARG  60           HB1      ARG  60  26.234   1.304   1.678
  444    HG2  ARG  60           HG2      ARG  60  28.275   0.370  -0.332
  445    HG3  ARG  60           HG1      ARG  60  27.896   2.056   0.017
  446    HD2  ARG  60           HD2      ARG  60  28.955   0.044   2.002
  447    HD3  ARG  60           HD1      ARG  60  29.899   1.305   1.212
  448    HE   ARG  60           HE       ARG  60  27.636   2.359   2.604
  449   HH11  ARG  60          HH11      ARG  60  30.936   1.262   2.984
  450   HH12  ARG  60          HH12      ARG  60  31.203   2.168   4.438
  451   HH21  ARG  60          HH21      ARG  60  27.989   3.559   4.518
  452   HH22  ARG  60          HH22      ARG  60  29.533   3.472   5.308
  453    H    GLY  61           HN       GLY  61  25.079   0.339   3.163
  454    HA2  GLY  61           HA2      GLY  61  22.801   0.458   3.624
  455    HA3  GLY  61           HA1      GLY  61  22.504  -0.687   2.324
  456    H    TYR  62           HN       TYR  62  20.977  -1.562   3.910
  457    HA   TYR  62           HA       TYR  62  22.264  -3.208   5.976
  458    HB2  TYR  62           HB2      TYR  62  19.362  -2.400   5.609
  459    HB3  TYR  62           HB1      TYR  62  19.934  -3.497   6.866
  460    HD1  TYR  62           HD1      TYR  62  19.890  -0.004   5.711
  461    HD2  TYR  62           HD2      TYR  62  21.158  -2.666   8.786
  462    HE1  TYR  62           HE1      TYR  62  20.360   1.914   7.175
  463    HE2  TYR  62           HE2      TYR  62  21.630  -0.751  10.252
  464    HH   TYR  62           HH       TYR  62  22.076   1.580  10.146
  465    H    ALA  63           HN       ALA  63  21.551  -5.433   6.213
  466    HA   ALA  63           HA       ALA  63  21.458  -6.694   3.612
  467    HB1  ALA  63           HB1      ALA  63  21.941  -8.750   4.812
  468    HB2  ALA  63           HB2      ALA  63  21.685  -7.931   6.351
  469    HB3  ALA  63           HB3      ALA  63  23.038  -7.467   5.319
  470    H    HIS  64           HN       HIS  64  19.074  -5.370   4.251
  471    HA   HIS  64           HA       HIS  64  17.236  -7.649   4.240
  472    HB2  HIS  64           HB2      HIS  64  16.897  -5.140   5.896
  473    HB3  HIS  64           HB1      HIS  64  15.587  -6.267   5.553
  474    HD1  HIS  64           HD1      HIS  64  15.817  -8.680   6.617
  475    HD2  HIS  64           HD2      HIS  64  18.574  -5.872   7.951
  476    HE1  HIS  64           HE1      HIS  64  16.804  -9.648   8.716
  477    HE2  HIS  64           HE2      HIS  64  18.335  -7.853   9.597
  478    HA   PRO  65           HA       PRO  65  16.026  -5.352   0.541
  479    HB2  PRO  65           HB2      PRO  65  14.099  -7.582   0.384
  480    HB3  PRO  65           HB1      PRO  65  15.275  -7.031  -0.811
  481    HG2  PRO  65           HG2      PRO  65  15.620  -9.317   0.542
  482    HG3  PRO  65           HG1      PRO  65  16.988  -8.279   0.100
  483    HD2  PRO  65           HD2      PRO  65  15.610  -8.587   2.738
  484    HD3  PRO  65           HD1      PRO  65  17.341  -8.396   2.381
  485    H    LEU  66           HN       LEU  66  14.236  -4.067   0.115
  486    HA   LEU  66           HA       LEU  66  12.570  -3.471   2.339
  487    HB2  LEU  66           HB2      LEU  66  13.406  -1.886   0.532
  488    HB3  LEU  66           HB1      LEU  66  12.164  -2.560  -0.502
  489    HG   LEU  66           HG       LEU  66  11.465  -1.316   2.144
  490   HD11  LEU  66          HD11      LEU  66  12.746   0.347   0.950
  491   HD12  LEU  66          HD12      LEU  66  11.035   0.772   0.909
  492   HD13  LEU  66          HD13      LEU  66  11.802   0.065  -0.514
  493   HD21  LEU  66          HD21      LEU  66   9.933  -1.691  -0.431
  494   HD22  LEU  66          HD22      LEU  66   9.314  -0.935   1.038
  495   HD23  LEU  66          HD23      LEU  66   9.738  -2.647   1.037
  496    H    ASN  67           HN       ASN  67  10.866  -4.589   2.946
  497    HA   ASN  67           HA       ASN  67   9.097  -5.755   0.917
  498    HB2  ASN  67           HB2      ASN  67  10.662  -7.528   1.821
  499    HB3  ASN  67           HB1      ASN  67   9.943  -7.261   3.409
  500   HD21  ASN  67          HD21      ASN  67   7.749  -7.837   3.732
  501   HD22  ASN  67          HD22      ASN  67   6.961  -8.975   2.695
  502    H    LEU  68           HN       LEU  68   7.513  -4.292   1.275
  503    HA   LEU  68           HA       LEU  68   6.542  -3.975   4.037
  504    HB2  LEU  68           HB2      LEU  68   7.364  -1.887   3.237
  505    HB3  LEU  68           HB1      LEU  68   6.579  -2.091   1.686
  506    HG   LEU  68           HG       LEU  68   4.382  -1.790   2.771
  507   HD11  LEU  68          HD11      LEU  68   4.944  -2.591   4.998
  508   HD12  LEU  68          HD12      LEU  68   4.281  -0.960   5.061
  509   HD13  LEU  68          HD13      LEU  68   6.016  -1.211   5.231
  510   HD21  LEU  68          HD21      LEU  68   4.559   0.576   3.087
  511   HD22  LEU  68          HD22      LEU  68   5.674   0.104   1.804
  512   HD23  LEU  68          HD23      LEU  68   6.284   0.450   3.420
  513    H    ALA  69           HN       ALA  69   4.530  -4.557   4.497
  514    HA   ALA  69           HA       ALA  69   2.665  -5.031   2.260
  515    HB1  ALA  69           HB1      ALA  69   1.544  -6.675   3.629
  516    HB2  ALA  69           HB2      ALA  69   2.597  -6.303   4.993
  517    HB3  ALA  69           HB3      ALA  69   3.264  -7.060   3.547
  518    H    LEU  70           HN       LEU  70   1.283  -3.419   2.080
  519    HA   LEU  70           HA       LEU  70   0.554  -1.814   4.405
  520    HB2  LEU  70           HB2      LEU  70  -0.019  -1.508   1.453
  521    HB3  LEU  70           HB1      LEU  70  -0.603  -0.397   2.677
  522    HG   LEU  70           HG       LEU  70   2.328  -0.927   2.159
  523   HD11  LEU  70          HD11      LEU  70   1.310   0.037   0.182
  524   HD12  LEU  70          HD12      LEU  70   2.329   1.220   1.001
  525   HD13  LEU  70          HD13      LEU  70   0.575   1.305   1.160
  526   HD21  LEU  70          HD21      LEU  70   1.915  -0.077   4.375
  527   HD22  LEU  70          HD22      LEU  70   0.857   1.179   3.734
  528   HD23  LEU  70          HD23      LEU  70   2.583   1.217   3.379
  529    H    THR  71           HN       THR  71  -1.275  -2.172   5.519
  530    HA   THR  71           HA       THR  71  -3.557  -3.345   4.079
  531    HB   THR  71           HB       THR  71  -4.224  -4.501   6.171
  532    HG1  THR  71           HG1      THR  71  -1.759  -3.416   7.092
  533   HG21  THR  71          HG21      THR  71  -1.447  -5.195   5.205
  534   HG22  THR  71          HG22      THR  71  -2.968  -5.781   4.530
  535   HG23  THR  71          HG23      THR  71  -2.484  -6.255   6.158
  536    H    TRP  72           HN       TRP  72  -5.636  -2.601   4.821
  537    HA   TRP  72           HA       TRP  72  -5.486  -0.135   6.412
  538    HB2  TRP  72           HB2      TRP  72  -6.868  -0.541   3.761
  539    HB3  TRP  72           HB1      TRP  72  -7.264   0.796   4.842
  540    HD1  TRP  72           HD1      TRP  72  -5.322   2.659   5.230
  541    HE1  TRP  72           HE1      TRP  72  -3.373   3.387   3.720
  542    HE3  TRP  72           HE3      TRP  72  -5.190  -1.363   2.073
  543    HZ2  TRP  72           HZ2      TRP  72  -1.970   2.397   1.487
  544    HZ3  TRP  72           HZ3      TRP  72  -3.511  -1.390   0.273
  545    HH2  TRP  72           HH2      TRP  72  -1.935   0.454  -0.008
  546    H    ASN  73           HN       ASN  73  -7.385   0.525   7.427
  547    HA   ASN  73           HA       ASN  73  -8.829  -1.514   8.704
  548    HB2  ASN  73           HB2      ASN  73  -9.284   1.467   8.531
  549    HB3  ASN  73           HB1      ASN  73 -10.207   0.403   9.588
  550   HD21  ASN  73          HD21      ASN  73  -8.284   2.648  10.105
  551   HD22  ASN  73          HD22      ASN  73  -7.125   1.975  11.203
  552    H    THR  74           HN       THR  74 -10.708  -2.464   8.289
  553    HA   THR  74           HA       THR  74 -11.749  -2.470   5.697
  554    HB   THR  74           HB       THR  74 -13.252  -3.436   8.121
  555    HG1  THR  74           HG1      THR  74 -11.890  -5.118   8.265
  556   HG21  THR  74          HG21      THR  74 -13.039  -4.522   5.309
  557   HG22  THR  74          HG22      THR  74 -14.392  -3.583   5.938
  558   HG23  THR  74          HG23      THR  74 -14.036  -5.175   6.609
  559    H    ASP  75           HN       ASP  75 -12.674  -0.618   8.519
  560    HA   ASP  75           HA       ASP  75 -15.217   0.242   7.661
  561    HB2  ASP  75           HB2      ASP  75 -13.179   1.668   9.386
  562    HB3  ASP  75           HB1      ASP  75 -14.837   2.211   9.157
  563    H    GLU  76           HN       GLU  76 -12.014   1.641   7.244
  564    HA   GLU  76           HA       GLU  76 -12.668   3.813   5.653
  565    HB2  GLU  76           HB2      GLU  76 -10.204   2.077   5.673
  566    HB3  GLU  76           HB1      GLU  76 -10.338   3.541   4.709
  567    HG2  GLU  76           HG2      GLU  76 -10.690   3.459   7.691
  568    HG3  GLU  76           HG1      GLU  76  -9.170   3.837   6.882
  569    H    ILE  77           HN       ILE  77 -11.960   0.475   4.648
  570    HA   ILE  77           HA       ILE  77 -12.196   0.846   1.890
  571    HB   ILE  77           HB       ILE  77 -12.943  -1.596   3.513
  572   HG12  ILE  77          HG12      ILE  77 -10.368  -0.808   2.116
  573   HG13  ILE  77          HG11      ILE  77 -10.620  -0.948   3.855
  574   HG21  ILE  77          HG21      ILE  77 -12.411  -1.318   0.554
  575   HG22  ILE  77          HG22      ILE  77 -13.954  -1.712   1.310
  576   HG23  ILE  77          HG23      ILE  77 -12.607  -2.845   1.410
  577   HD11  ILE  77          HD11      ILE  77 -10.717  -3.210   1.868
  578   HD12  ILE  77          HD12      ILE  77 -10.972  -3.354   3.605
  579   HD13  ILE  77          HD13      ILE  77  -9.400  -2.856   2.985
  580    H    GLU  78           HN       GLU  78 -14.694  -0.013   4.254
  581    HA   GLU  78           HA       GLU  78 -16.932  -0.124   2.596
  582    HB2  GLU  78           HB2      GLU  78 -16.922  -0.759   4.979
  583    HB3  GLU  78           HB1      GLU  78 -16.699   0.922   5.433
  584    HG2  GLU  78           HG2      GLU  78 -18.941   0.652   5.783
  585    HG3  GLU  78           HG1      GLU  78 -18.927   1.278   4.134
  586    H    ARG  79           HN       ARG  79 -15.470   2.613   4.256
  587    HA   ARG  79           HA       ARG  79 -17.364   4.545   3.497
  588    HB2  ARG  79           HB2      ARG  79 -15.789   4.657   5.438
  589    HB3  ARG  79           HB1      ARG  79 -14.487   4.973   4.304
  590    HG2  ARG  79           HG2      ARG  79 -15.374   7.077   3.719
  591    HG3  ARG  79           HG1      ARG  79 -16.916   6.728   4.508
  592    HD2  ARG  79           HD2      ARG  79 -14.271   6.937   5.937
  593    HD3  ARG  79           HD1      ARG  79 -15.443   8.246   5.815
  594    HE   ARG  79           HE       ARG  79 -17.011   6.685   6.992
  595   HH11  ARG  79          HH11      ARG  79 -13.538   6.312   7.385
  596   HH12  ARG  79          HH12      ARG  79 -13.672   5.700   9.001
  597   HH21  ARG  79          HH21      ARG  79 -17.175   5.839   9.101
  598   HH22  ARG  79          HH22      ARG  79 -15.733   5.430   9.977
  599    H    LEU  80           HN       LEU  80 -14.533   3.289   1.879
  600    HA   LEU  80           HA       LEU  80 -14.155   5.435   0.060
  601    HB2  LEU  80           HB2      LEU  80 -13.424   2.519  -0.135
  602    HB3  LEU  80           HB1      LEU  80 -12.971   3.709  -1.339
  603    HG   LEU  80           HG       LEU  80 -12.091   3.650   1.550
  604   HD11  LEU  80          HD11      LEU  80  -9.872   3.283   0.578
  605   HD12  LEU  80          HD12      LEU  80 -10.591   3.224  -1.029
  606   HD13  LEU  80          HD13      LEU  80 -10.994   1.989   0.163
  607   HD21  LEU  80          HD21      LEU  80 -10.616   5.542   0.888
  608   HD22  LEU  80          HD22      LEU  80 -12.327   5.956   0.896
  609   HD23  LEU  80          HD23      LEU  80 -11.502   5.653  -0.632
  610    H    MET  81           HN       MET  81 -16.583   3.074   0.282
  611    HA   MET  81           HA       MET  81 -17.240   2.968  -2.517
  612    HB2  MET  81           HB2      MET  81 -18.845   2.189  -0.074
  613    HB3  MET  81           HB1      MET  81 -19.327   1.863  -1.731
  614    HG2  MET  81           HG2      MET  81 -17.372   0.440  -2.035
  615    HG3  MET  81           HG1      MET  81 -16.851   0.799  -0.384
  616    HE1  MET  81           HE1      MET  81 -19.777  -0.672  -2.547
  617    HE2  MET  81           HE2      MET  81 -20.637   0.323  -1.370
  618    HE3  MET  81           HE3      MET  81 -20.783  -1.434  -1.316
  619    H    GLU  82           HN       GLU  82 -17.634   5.255  -0.099
  620    HA   GLU  82           HA       GLU  82 -20.116   6.336  -1.185
  621    HB2  GLU  82           HB2      GLU  82 -18.478   7.104   1.242
  622    HB3  GLU  82           HB1      GLU  82 -19.957   7.919   0.755
  623    HG2  GLU  82           HG2      GLU  82 -19.716   5.025   1.544
  624    HG3  GLU  82           HG1      GLU  82 -20.352   6.324   2.547
  625    H    ALA  83           HN       ALA  83 -20.235   8.694  -1.636
  626    HA   ALA  83           HA       ALA  83 -18.375   9.455  -3.569
  627    HB1  ALA  83           HB1      ALA  83 -20.660  10.322  -3.488
  628    HB2  ALA  83           HB2      ALA  83 -19.481  11.631  -3.563
  629    HB3  ALA  83           HB3      ALA  83 -20.265  11.238  -2.034
  630    H    ASP  84           HN       ASP  84 -18.697  10.604  -0.224
  631    HA   ASP  84           HA       ASP  84 -16.525  12.420  -0.339
  632    HB2  ASP  84           HB2      ASP  84 -17.960  11.135   1.990
  633    HB3  ASP  84           HB1      ASP  84 -16.652  12.291   2.200
  634    H    GLY  85           HN       GLY  85 -16.681   9.035  -0.053
  635    HA2  GLY  85           HA2      GLY  85 -14.266   8.630   1.424
  636    HA3  GLY  85           HA1      GLY  85 -15.129   7.424   0.470
  637    H    ALA  86           HN       ALA  86 -15.098   8.342  -2.034
  638    HA   ALA  86           HA       ALA  86 -12.549   7.900  -3.012
  639    HB1  ALA  86           HB1      ALA  86 -13.388   8.731  -5.153
  640    HB2  ALA  86           HB2      ALA  86 -14.796   9.408  -4.334
  641    HB3  ALA  86           HB3      ALA  86 -14.551   7.662  -4.371
  642    H    ALA  87           HN       ALA  87 -14.124  10.937  -2.168
  643    HA   ALA  87           HA       ALA  87 -12.241  12.699  -3.243
  644    HB1  ALA  87           HB1      ALA  87 -13.913  13.056  -0.761
  645    HB2  ALA  87           HB2      ALA  87 -14.417  13.424  -2.410
  646    HB3  ALA  87           HB3      ALA  87 -13.112  14.343  -1.661
  647    H    ARG  88           HN       ARG  88 -12.237  10.911  -0.201
  648    HA   ARG  88           HA       ARG  88  -9.913  12.230   0.831
  649    HB2  ARG  88           HB2      ARG  88 -11.280   9.656   1.579
  650    HB3  ARG  88           HB1      ARG  88  -9.823  10.224   2.380
  651    HG2  ARG  88           HG2      ARG  88 -11.079  12.345   2.907
  652    HG3  ARG  88           HG1      ARG  88 -12.533  11.516   2.342
  653    HD2  ARG  88           HD2      ARG  88 -10.724  10.655   4.589
  654    HD3  ARG  88           HD1      ARG  88 -12.353  11.310   4.745
  655    HE   ARG  88           HE       ARG  88 -12.992   9.246   3.371
  656   HH11  ARG  88          HH11      ARG  88 -10.415   9.347   5.742
  657   HH12  ARG  88          HH12      ARG  88 -10.494   7.641   6.089
  658   HH21  ARG  88          HH21      ARG  88 -13.096   7.007   3.840
  659   HH22  ARG  88          HH22      ARG  88 -12.048   6.333   5.056
  660    H    PHE  89           HN       PHE  89 -10.514   9.448  -1.195
  661    HA   PHE  89           HA       PHE  89  -7.975   8.266  -1.096
  662    HB2  PHE  89           HB2      PHE  89  -9.913   7.168  -2.147
  663    HB3  PHE  89           HB1      PHE  89  -9.915   8.382  -3.425
  664    HD1  PHE  89           HD2      PHE  89  -7.480   6.017  -1.852
  665    HD2  PHE  89           HD1      PHE  89  -9.025   7.724  -5.430
  666    HE1  PHE  89           HE2      PHE  89  -5.960   4.619  -3.173
  667    HE2  PHE  89           HE1      PHE  89  -7.508   6.321  -6.758
  668    HZ   PHE  89           HZ       PHE  89  -5.972   4.764  -5.631
  669    H    GLU  90           HN       GLU  90  -9.254  10.898  -3.085
  670    HA   GLU  90           HA       GLU  90  -6.918  11.310  -4.620
  671    HB2  GLU  90           HB2      GLU  90  -9.157  13.186  -3.845
  672    HB3  GLU  90           HB1      GLU  90  -7.865  13.633  -4.950
  673    HG2  GLU  90           HG2      GLU  90  -9.911  11.462  -5.339
  674    HG3  GLU  90           HG1      GLU  90  -9.801  12.992  -6.207
  675    H    ARG  91           HN       ARG  91  -8.023  12.596  -1.538
  676    HA   ARG  91           HA       ARG  91  -5.978  14.468  -1.092
  677    HB2  ARG  91           HB2      ARG  91  -8.091  14.287   0.226
  678    HB3  ARG  91           HB1      ARG  91  -7.463  12.821   0.964
  679    HG2  ARG  91           HG2      ARG  91  -5.517  14.241   1.767
  680    HG3  ARG  91           HG1      ARG  91  -6.485  15.637   1.293
  681    HD2  ARG  91           HD2      ARG  91  -7.217  13.517   3.309
  682    HD3  ARG  91           HD1      ARG  91  -6.819  15.203   3.639
  683    HE   ARG  91           HE       ARG  91  -8.956  15.310   1.930
  684   HH11  ARG  91          HH11      ARG  91  -8.350  13.847   5.075
  685   HH12  ARG  91          HH12      ARG  91 -10.013  13.968   5.570
  686   HH21  ARG  91          HH21      ARG  91 -11.124  15.450   2.596
  687   HH22  ARG  91          HH22      ARG  91 -11.584  14.868   4.165
  688    H    TYR  92           HN       TYR  92  -6.145  11.004  -0.642
  689    HA   TYR  92           HA       TYR  92  -3.790  10.839   0.993
  690    HB2  TYR  92           HB2      TYR  92  -5.677   9.216   1.135
  691    HB3  TYR  92           HB1      TYR  92  -5.277   8.655  -0.483
  692    HD1  TYR  92           HD1      TYR  92  -3.756   9.058   2.902
  693    HD2  TYR  92           HD2      TYR  92  -3.838   6.849  -0.735
  694    HE1  TYR  92           HE1      TYR  92  -2.177   7.434   3.860
  695    HE2  TYR  92           HE2      TYR  92  -2.263   5.215   0.216
  696    HH   TYR  92           HH       TYR  92  -1.514   5.093   3.524
  697    H    LEU  93           HN       LEU  93  -4.586  10.490  -2.409
  698    HA   LEU  93           HA       LEU  93  -2.153   9.369  -3.274
  699    HB2  LEU  93           HB2      LEU  93  -4.064  11.168  -4.770
  700    HB3  LEU  93           HB1      LEU  93  -2.761  10.256  -5.512
  701    HG   LEU  93           HG       LEU  93  -5.182   9.087  -4.130
  702   HD11  LEU  93          HD11      LEU  93  -5.800   8.336  -6.365
  703   HD12  LEU  93          HD12      LEU  93  -4.393   9.161  -7.036
  704   HD13  LEU  93          HD13      LEU  93  -5.689  10.094  -6.289
  705   HD21  LEU  93          HD21      LEU  93  -2.845   7.752  -5.491
  706   HD22  LEU  93          HD22      LEU  93  -4.340   6.936  -5.038
  707   HD23  LEU  93          HD23      LEU  93  -3.301   7.623  -3.792
  708    H    ALA  94           HN       ALA  94  -3.215  12.733  -2.996
  709    HA   ALA  94           HA       ALA  94  -0.827  13.874  -3.993
  710    HB1  ALA  94           HB1      ALA  94  -2.905  15.100  -2.184
  711    HB2  ALA  94           HB2      ALA  94  -2.953  15.082  -3.947
  712    HB3  ALA  94           HB3      ALA  94  -1.686  15.977  -3.109
  713    H    ALA  95           HN       ALA  95  -1.570  12.440  -0.981
  714    HA   ALA  95           HA       ALA  95   0.656  13.847   0.320
  715    HB1  ALA  95           HB1      ALA  95  -1.566  12.249   1.571
  716    HB2  ALA  95           HB2      ALA  95  -1.486  14.008   1.473
  717    HB3  ALA  95           HB3      ALA  95  -0.302  13.123   2.435
  718    H    LEU  96           HN       LEU  96   0.236  11.154  -1.412
  719    HA   LEU  96           HA       LEU  96   1.227   9.027   0.013
  720    HB2  LEU  96           HB2      LEU  96   1.708   9.798  -2.850
  721    HB3  LEU  96           HB1      LEU  96   2.327   8.309  -2.170
  722    HG   LEU  96           HG       LEU  96  -0.592   9.036  -2.223
  723   HD11  LEU  96          HD11      LEU  96   0.984   7.259  -4.078
  724   HD12  LEU  96          HD12      LEU  96   0.247   8.805  -4.492
  725   HD13  LEU  96          HD13      LEU  96  -0.771   7.429  -4.066
  726   HD21  LEU  96          HD21      LEU  96  -0.058   7.459  -0.477
  727   HD22  LEU  96          HD22      LEU  96   0.860   6.469  -1.608
  728   HD23  LEU  96          HD23      LEU  96  -0.888   6.621  -1.787
  729    HA   PRO  97           HA       PRO  97   5.833  10.484  -0.874
  730    HB2  PRO  97           HB2      PRO  97   6.055  13.238  -0.887
  731    HB3  PRO  97           HB1      PRO  97   6.067  12.221  -2.330
  732    HG2  PRO  97           HG2      PRO  97   3.795  13.745  -1.107
  733    HG3  PRO  97           HG1      PRO  97   4.240  13.583  -2.818
  734    HD2  PRO  97           HD2      PRO  97   2.235  12.161  -1.792
  735    HD3  PRO  97           HD1      PRO  97   3.352  11.434  -2.968
  736    H    ARG  98           HN       ARG  98   3.505  12.369   0.992
  737    HA   ARG  98           HA       ARG  98   5.401  13.045   3.049
  738    HB2  ARG  98           HB2      ARG  98   2.397  13.341   2.899
  739    HB3  ARG  98           HB1      ARG  98   3.383  13.937   4.226
  740    HG2  ARG  98           HG2      ARG  98   4.532  15.459   2.755
  741    HG3  ARG  98           HG1      ARG  98   3.687  14.794   1.356
  742    HD2  ARG  98           HD2      ARG  98   2.689  16.900   2.055
  743    HD3  ARG  98           HD1      ARG  98   1.558  15.567   2.271
  744    HE   ARG  98           HE       ARG  98   3.023  16.088   4.659
  745   HH11  ARG  98          HH11      ARG  98   0.366  17.261   2.701
  746   HH12  ARG  98          HH12      ARG  98  -0.463  18.003   4.032
  747   HH21  ARG  98          HH21      ARG  98   1.929  17.059   6.428
  748   HH22  ARG  98          HH22      ARG  98   0.433  17.894   6.151
  749    H    LYS  99           HN       LYS  99   2.823  10.711   2.577
  750    HA   LYS  99           HA       LYS  99   2.865   9.643   5.217
  751    HB2  LYS  99           HB2      LYS  99   1.223   9.370   3.046
  752    HB3  LYS  99           HB1      LYS  99   2.096   7.849   3.004
  753    HG2  LYS  99           HG2      LYS  99   0.085   7.523   4.233
  754    HG3  LYS  99           HG1      LYS  99   1.434   7.472   5.370
  755    HD2  LYS  99           HD2      LYS  99   0.985   9.723   6.087
  756    HD3  LYS  99           HD1      LYS  99  -0.249   9.918   4.843
  757    HE2  LYS  99           HE2      LYS  99  -1.591   8.170   5.908
  758    HE3  LYS  99           HE1      LYS  99  -0.357   7.986   7.155
  759    HZ1  LYS  99           HZ1      LYS  99  -0.778  10.175   7.933
  760    HZ2  LYS  99           HZ2      LYS  99  -2.275   9.406   7.794
  761    HZ3  LYS  99           HZ3      LYS  99  -1.791  10.532   6.627
  762    H    LEU 100           HN       LEU 100   4.478   8.957   2.205
  763    HA   LEU 100           HA       LEU 100   5.758   6.566   2.856
  764    HB2  LEU 100           HB2      LEU 100   5.570   7.690   0.592
  765    HB3  LEU 100           HB1      LEU 100   6.857   8.761   1.106
  766    HG   LEU 100           HG       LEU 100   8.246   6.636   1.467
  767   HD11  LEU 100          HD11      LEU 100   6.034   5.527  -0.249
  768   HD12  LEU 100          HD12      LEU 100   6.468   5.010   1.381
  769   HD13  LEU 100          HD13      LEU 100   7.585   4.741   0.044
  770   HD21  LEU 100          HD21      LEU 100   8.900   6.577  -0.880
  771   HD22  LEU 100          HD22      LEU 100   8.635   8.233  -0.339
  772   HD23  LEU 100          HD23      LEU 100   7.416   7.423  -1.322
  773    H    ALA 101           HN       ALA 101   6.858   9.929   3.115
  774    HA   ALA 101           HA       ALA 101   9.404   9.450   4.151
  775    HB1  ALA 101           HB1      ALA 101   9.366  11.767   4.883
  776    HB2  ALA 101           HB2      ALA 101   7.617  11.819   4.676
  777    HB3  ALA 101           HB3      ALA 101   8.663  11.617   3.272
  778    H    ALA 102           HN       ALA 102   6.278   9.691   5.738
  779    HA   ALA 102           HA       ALA 102   7.203   9.836   8.389
  780    HB1  ALA 102           HB1      ALA 102   4.610   8.711   7.335
  781    HB2  ALA 102           HB2      ALA 102   4.914  10.393   7.766
  782    HB3  ALA 102           HB3      ALA 102   4.937   9.146   9.012
  783    H    TRP 103           HN       TRP 103   6.294   7.081   6.347
  784    HA   TRP 103           HA       TRP 103   6.687   5.116   8.353
  785    HB2  TRP 103           HB2      TRP 103   6.701   4.853   5.335
  786    HB3  TRP 103           HB1      TRP 103   6.681   3.493   6.456
  787    HD1  TRP 103           HD1      TRP 103   4.456   4.720   8.472
  788    HE1  TRP 103           HE1      TRP 103   2.000   4.760   7.696
  789    HE3  TRP 103           HE3      TRP 103   5.202   4.379   3.434
  790    HZ2  TRP 103           HZ2      TRP 103   0.576   4.659   5.259
  791    HZ3  TRP 103           HZ3      TRP 103   3.246   4.356   1.948
  792    HH2  TRP 103           HH2      TRP 103   0.981   4.492   2.842
  793    H    GLU 104           HN       GLU 104   8.798   6.529   5.916
  794    HA   GLU 104           HA       GLU 104  10.939   4.727   6.168
  795    HB2  GLU 104           HB2      GLU 104  11.040   7.667   5.460
  796    HB3  GLU 104           HB1      GLU 104  12.337   6.514   5.202
  797    HG2  GLU 104           HG2      GLU 104  10.715   5.224   3.740
  798    HG3  GLU 104           HG1      GLU 104   9.672   6.648   3.825
  799    H    ASN 105           HN       ASN 105  10.362   7.844   7.747
  800    HA   ASN 105           HA       ASN 105  12.655   7.800   9.379
  801    HB2  ASN 105           HB2      ASN 105  11.350   9.847   8.929
  802    HB3  ASN 105           HB1      ASN 105  10.009   9.195   9.864
  803   HD21  ASN 105          HD21      ASN 105  13.462   9.018  10.633
  804   HD22  ASN 105          HD22      ASN 105  13.356   9.944  12.089
  805    H    ALA 106           HN       ALA 106   9.445   6.442   9.812
  806    HA   ALA 106           HA       ALA 106   9.767   6.076  12.642
  807    HB1  ALA 106           HB1      ALA 106   7.590   5.054  12.593
  808    HB2  ALA 106           HB2      ALA 106   7.658   4.914  10.837
  809    HB3  ALA 106           HB3      ALA 106   7.574   6.506  11.591
  810    H    ARG 107           HN       ARG 107   9.806   3.873   9.827
  811    HA   ARG 107           HA       ARG 107  10.326   1.680  11.700
  812    HB2  ARG 107           HB2      ARG 107   9.521   1.618   8.797
  813    HB3  ARG 107           HB1      ARG 107   9.866   0.186   9.752
  814    HG2  ARG 107           HG2      ARG 107   7.612   2.144  10.108
  815    HG3  ARG 107           HG1      ARG 107   7.514   0.433   9.687
  816    HD2  ARG 107           HD2      ARG 107   8.249   1.666  12.334
  817    HD3  ARG 107           HD1      ARG 107   6.907   0.588  11.972
  818    HE   ARG 107           HE       ARG 107   9.218  -0.818  11.383
  819   HH11  ARG 107          HH11      ARG 107   7.703   0.629  14.183
  820   HH12  ARG 107          HH12      ARG 107   8.472  -0.440  15.312
  821   HH21  ARG 107          HH21      ARG 107  10.258  -2.223  12.862
  822   HH22  ARG 107          HH22      ARG 107   9.921  -2.061  14.562
  823    H    GLY 108           HN       GLY 108  12.157   3.708   9.810
  824    HA2  GLY 108           HA2      GLY 108  14.428   3.607   9.323
  825    HA3  GLY 108           HA1      GLY 108  14.464   2.006  10.056
  826    H    VAL 109           HN       VAL 109  12.784   3.445   7.308
  827    HA   VAL 109           HA       VAL 109  13.702   1.193   5.640
  828    HB   VAL 109           HB       VAL 109  10.985   2.530   5.531
  829   HG11  VAL 109          HG11      VAL 109  11.731   1.845   3.320
  830   HG12  VAL 109          HG12      VAL 109  10.408   0.823   3.880
  831   HG13  VAL 109          HG13      VAL 109  12.064   0.222   3.924
  832   HG21  VAL 109          HG21      VAL 109  10.088   0.381   6.260
  833   HG22  VAL 109          HG22      VAL 109  11.189   1.057   7.461
  834   HG23  VAL 109          HG23      VAL 109  11.725  -0.255   6.411
  835    H    ASP 110           HN       ASP 110  14.373   1.739   3.546
  836    HA   ASP 110           HA       ASP 110  14.161   4.586   2.822
  837    HB2  ASP 110           HB2      ASP 110  16.451   3.962   3.760
  838    HB3  ASP 110           HB1      ASP 110  16.660   2.958   2.325
  839    H    PHE 111           HN       PHE 111  12.785   4.480   1.171
  840    HA   PHE 111           HA       PHE 111  12.559   2.215  -0.533
  841    HB2  PHE 111           HB2      PHE 111  11.363   4.981  -0.668
  842    HB3  PHE 111           HB1      PHE 111  10.980   3.709  -1.823
  843    HD1  PHE 111           HD2      PHE 111  10.929   4.498   1.809
  844    HD2  PHE 111           HD1      PHE 111   9.300   2.157  -1.354
  845    HE1  PHE 111           HE2      PHE 111   9.214   3.629   3.339
  846    HE2  PHE 111           HE1      PHE 111   7.585   1.286   0.174
  847    HZ   PHE 111           HZ       PHE 111   7.538   2.022   2.525
  848    H    GLY 112           HN       GLY 112  14.452   5.104  -0.681
  849    HA2  GLY 112           HA2      GLY 112  14.923   4.942  -3.528
  850    HA3  GLY 112           HA1      GLY 112  15.733   6.014  -2.393
  851    H    SER 113           HN       SER 113  16.337   3.622  -0.658
  852    HA   SER 113           HA       SER 113  18.739   2.805  -2.111
  853    HB2  SER 113           HB2      SER 113  18.044   2.374   0.802
  854    HB3  SER 113           HB1      SER 113  19.626   2.164   0.050
  855    HG   SER 113           HG       SER 113  18.175   4.609   0.246
  856    H    ARG 114           HN       ARG 114  15.671   1.674  -1.477
  857    HA   ARG 114           HA       ARG 114  14.602  -0.286  -1.883
  858    HB2  ARG 114           HB2      ARG 114  17.216  -1.221  -3.077
  859    HB3  ARG 114           HB1      ARG 114  15.627  -1.928  -3.348
  860    HG2  ARG 114           HG2      ARG 114  14.907   0.127  -4.467
  861    HG3  ARG 114           HG1      ARG 114  16.506   0.826  -4.201
  862    HD2  ARG 114           HD2      ARG 114  17.475  -1.072  -5.486
  863    HD3  ARG 114           HD1      ARG 114  15.837  -1.606  -5.847
  864    HE   ARG 114           HE       ARG 114  16.799   1.056  -6.664
  865   HH11  ARG 114          HH11      ARG 114  15.378  -2.049  -7.429
  866   HH12  ARG 114          HH12      ARG 114  14.999  -1.621  -9.065
  867   HH21  ARG 114          HH21      ARG 114  16.336   1.615  -8.844
  868   HH22  ARG 114          HH22      ARG 114  15.548   0.458  -9.870
  869    H    THR 115           HN       THR 115  16.302   0.158   0.540
  870    HA   THR 115           HA       THR 115  16.378  -2.615   1.458
  871    HB   THR 115           HB       THR 115  18.521  -1.842   2.770
  872    HG1  THR 115           HG1      THR 115  18.853  -0.331   0.388
  873   HG21  THR 115          HG21      THR 115  19.948  -2.738   0.972
  874   HG22  THR 115          HG22      THR 115  18.600  -2.595  -0.154
  875   HG23  THR 115          HG23      THR 115  18.497  -3.712   1.207
  876    H    GLN 116           HN       GLN 116  16.634  -2.692   3.902
  877    HA   GLN 116           HA       GLN 116  15.616  -0.359   5.280
  878    HB2  GLN 116           HB2      GLN 116  13.629  -1.502   6.150
  879    HB3  GLN 116           HB1      GLN 116  13.569  -1.405   4.397
  880    HG2  GLN 116           HG2      GLN 116  14.363  -3.741   4.277
  881    HG3  GLN 116           HG1      GLN 116  14.301  -3.821   6.037
  882   HE21  GLN 116          HE21      GLN 116  12.758  -5.441   6.067
  883   HE22  GLN 116          HE22      GLN 116  11.117  -5.166   5.605
  884    H    ALA 117           HN       ALA 117  15.798  -0.516   7.550
  885    HA   ALA 117           HA       ALA 117  17.888  -2.339   8.380
  886    HB1  ALA 117           HB1      ALA 117  17.938  -1.030  10.427
  887    HB2  ALA 117           HB2      ALA 117  16.474  -0.180   9.939
  888    HB3  ALA 117           HB3      ALA 117  17.963   0.031   9.019
  889    H    ASP 118           HN       ASP 118  14.545  -2.355   8.341
  890    HA   ASP 118           HA       ASP 118  14.241  -3.916  10.787
  891    HB2  ASP 118           HB2      ASP 118  12.593  -2.079   9.930
  892    HB3  ASP 118           HB1      ASP 118  12.030  -3.337   8.829
  893    H    ALA 119           HN       ALA 119  13.352  -6.018  10.779
  894    HA   ALA 119           HA       ALA 119  14.366  -7.668   8.667
  895    HB1  ALA 119           HB1      ALA 119  14.471  -8.351  11.021
  896    HB2  ALA 119           HB2      ALA 119  13.602  -9.530  10.037
  897    HB3  ALA 119           HB3      ALA 119  12.710  -8.417  11.074
  898    H    LEU 120           HN       LEU 120  11.279  -6.309   9.488
  899    HA   LEU 120           HA       LEU 120  10.074  -7.103   7.064
  900    HB2  LEU 120           HB2      LEU 120   9.914  -9.286   8.147
  901    HB3  LEU 120           HB1      LEU 120   9.170  -8.558   9.553
  902    HG   LEU 120           HG       LEU 120   7.216  -7.940   8.178
  903   HD11  LEU 120          HD11      LEU 120   8.624  -9.500   6.028
  904   HD12  LEU 120          HD12      LEU 120   8.267  -7.773   6.014
  905   HD13  LEU 120          HD13      LEU 120   6.953  -8.944   5.962
  906   HD21  LEU 120          HD21      LEU 120   6.319 -10.199   7.948
  907   HD22  LEU 120          HD22      LEU 120   7.195  -9.995   9.465
  908   HD23  LEU 120          HD23      LEU 120   7.944 -10.859   8.122
  909    H    VAL 121           HN       VAL 121   8.625  -5.491   6.634
  910    HA   VAL 121           HA       VAL 121   7.502  -4.142   8.989
  911    HB   VAL 121           HB       VAL 121   9.038  -2.638   7.953
  912   HG11  VAL 121          HG11      VAL 121   7.543  -3.014   5.370
  913   HG12  VAL 121          HG12      VAL 121   9.145  -3.652   5.735
  914   HG13  VAL 121          HG13      VAL 121   8.889  -1.910   5.647
  915   HG21  VAL 121          HG21      VAL 121   7.562  -0.759   7.370
  916   HG22  VAL 121          HG22      VAL 121   7.022  -1.623   8.808
  917   HG23  VAL 121          HG23      VAL 121   6.205  -1.881   7.268
  918    H    LEU 122           HN       LEU 122   5.599  -5.073   9.196
  919    HA   LEU 122           HA       LEU 122   3.733  -5.007   6.923
  920    HB2  LEU 122           HB2      LEU 122   3.397  -6.423   9.571
  921    HB3  LEU 122           HB1      LEU 122   2.377  -6.592   8.158
  922    HG   LEU 122           HG       LEU 122   5.238  -7.532   8.402
  923   HD11  LEU 122          HD11      LEU 122   4.260  -9.768   8.259
  924   HD12  LEU 122          HD12      LEU 122   2.645  -9.059   8.259
  925   HD13  LEU 122          HD13      LEU 122   3.681  -8.893   9.675
  926   HD21  LEU 122          HD21      LEU 122   4.756  -6.823   6.129
  927   HD22  LEU 122          HD22      LEU 122   3.294  -7.810   6.118
  928   HD23  LEU 122          HD23      LEU 122   4.876  -8.579   6.225
  929    H    LEU 123           HN       LEU 123   2.726  -3.076   6.909
  930    HA   LEU 123           HA       LEU 123   2.166  -1.740   9.435
  931    HB2  LEU 123           HB2      LEU 123   1.755  -0.804   6.595
  932    HB3  LEU 123           HB1      LEU 123   1.504   0.174   8.029
  933    HG   LEU 123           HG       LEU 123   4.144  -0.942   7.086
  934   HD11  LEU 123          HD11      LEU 123   3.104   1.883   7.150
  935   HD12  LEU 123          HD12      LEU 123   3.305   0.891   5.706
  936   HD13  LEU 123          HD13      LEU 123   4.716   1.378   6.646
  937   HD21  LEU 123          HD21      LEU 123   3.498   0.823   9.444
  938   HD22  LEU 123          HD22      LEU 123   5.120   0.442   8.865
  939   HD23  LEU 123          HD23      LEU 123   4.093  -0.836   9.509
  940    H    GLY 124           HN       GLY 124   0.364  -2.179  10.446
  941    HA2  GLY 124           HA2      GLY 124  -2.074  -2.654   8.854
  942    HA3  GLY 124           HA1      GLY 124  -1.755  -3.433  10.397
  943    H    GLY 125           HN       GLY 125  -4.108  -2.045   9.938
  944    HA2  GLY 125           HA2      GLY 125  -5.445  -0.597  11.119
  945    HA3  GLY 125           HA1      GLY 125  -4.053  -0.208  12.122
  946    H    LEU 126           HN       LEU 126  -3.693   0.182   8.716
  947    HA   LEU 126           HA       LEU 126  -3.303   2.998   9.041
  948    HB2  LEU 126           HB2      LEU 126  -3.026   1.065   6.797
  949    HB3  LEU 126           HB1      LEU 126  -3.207   2.764   6.396
  950    HG   LEU 126           HG       LEU 126  -1.214   3.295   7.736
  951   HD11  LEU 126          HD11      LEU 126  -0.908   0.317   8.068
  952   HD12  LEU 126          HD12      LEU 126  -1.418   1.427   9.339
  953   HD13  LEU 126          HD13      LEU 126   0.193   1.571   8.640
  954   HD21  LEU 126          HD21      LEU 126  -0.764   1.116   5.701
  955   HD22  LEU 126          HD22      LEU 126   0.429   2.299   6.238
  956   HD23  LEU 126          HD23      LEU 126  -0.999   2.827   5.349
  957    H    ASP 127           HN       ASP 127  -4.392   4.657   7.967
  958    HA   ASP 127           HA       ASP 127  -7.179   4.047   7.230
  959    HB2  ASP 127           HB2      ASP 127  -6.114   6.421   8.797
  960    HB3  ASP 127           HB1      ASP 127  -7.749   6.331   8.146
  961    H    PHE 128           HN       PHE 128  -8.104   6.011   5.942
  962    HA   PHE 128           HA       PHE 128  -6.094   6.623   3.894
  963    HB2  PHE 128           HB2      PHE 128  -9.076   6.354   3.811
  964    HB3  PHE 128           HB1      PHE 128  -8.245   7.299   2.579
  965    HD1  PHE 128           HD2      PHE 128  -8.655   3.939   4.012
  966    HD2  PHE 128           HD1      PHE 128  -6.907   6.254   0.900
  967    HE1  PHE 128           HE2      PHE 128  -8.128   1.876   2.783
  968    HE2  PHE 128           HE1      PHE 128  -6.369   4.193  -0.336
  969    HZ   PHE 128           HZ       PHE 128  -6.982   2.000   0.607
  970    H    GLU 129           HN       GLU 129  -6.026   8.046   6.252
  971    HA   GLU 129           HA       GLU 129  -6.990  10.705   5.498
  972    HB2  GLU 129           HB2      GLU 129  -7.419   9.933   7.823
  973    HB3  GLU 129           HB1      GLU 129  -5.685   9.783   8.072
  974    HG2  GLU 129           HG2      GLU 129  -6.570  11.838   9.039
  975    HG3  GLU 129           HG1      GLU 129  -5.401  12.164   7.761
  976    H    ALA 130           HN       ALA 130  -5.579  12.343   5.033
  977    HA   ALA 130           HA       ALA 130  -2.961  11.459   4.159
  978    HB1  ALA 130           HB1      ALA 130  -4.357  14.109   3.827
  979    HB2  ALA 130           HB2      ALA 130  -4.313  12.795   2.651
  980    HB3  ALA 130           HB3      ALA 130  -2.831  13.652   3.073
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -29.915  -7.172   7.873
    2    H2   GLY   1           HT2      GLY   1 -29.629  -6.601   6.310
    3    H3   GLY   1           HT3      GLY   1 -28.759  -5.970   7.611
    4    HA2  GLY   1           HA1      GLY   1 -27.693  -8.091   7.986
    5    HA3  GLY   1           HA2      GLY   1 -28.607  -8.767   6.645
    6    H    ALA   2           HN       ALA   2 -26.395  -9.298   5.910
    7    HA   ALA   2           HA       ALA   2 -24.611  -9.026   4.537
    8    HB1  ALA   2           HB1      ALA   2 -26.194  -6.693   3.460
    9    HB2  ALA   2           HB2      ALA   2 -26.362  -8.370   2.944
   10    HB3  ALA   2           HB3      ALA   2 -24.853  -7.503   2.652
   11    H    MET   3           HN       MET   3 -24.582  -7.753   7.116
   12    HA   MET   3           HA       MET   3 -22.800  -5.465   6.592
   13    HB2  MET   3           HB2      MET   3 -24.837  -4.943   7.930
   14    HB3  MET   3           HB1      MET   3 -24.336  -6.135   9.120
   15    HG2  MET   3           HG2      MET   3 -22.304  -4.815   9.558
   16    HG3  MET   3           HG1      MET   3 -22.869  -3.605   8.406
   17    HE1  MET   3           HE1      MET   3 -25.028  -2.113   8.761
   18    HE2  MET   3           HE2      MET   3 -26.098  -2.250  10.155
   19    HE3  MET   3           HE3      MET   3 -26.011  -3.560   8.979
   20    H    GLY   4           HN       GLY   4 -23.181  -8.557   8.164
   21    HA2  GLY   4           HA2      GLY   4 -20.791  -8.483   9.706
   22    HA3  GLY   4           HA1      GLY   4 -21.683  -9.928   9.246
   23    H    MET   5           HN       MET   5 -21.566 -10.070   6.627
   24    HA   MET   5           HA       MET   5 -18.703  -9.919   5.959
   25    HB2  MET   5           HB2      MET   5 -18.991 -11.819   4.486
   26    HB3  MET   5           HB1      MET   5 -19.574 -12.245   6.086
   27    HG2  MET   5           HG2      MET   5 -21.862 -11.978   5.370
   28    HG3  MET   5           HG1      MET   5 -21.332 -11.414   3.787
   29    HE1  MET   5           HE1      MET   5 -22.843 -14.936   2.960
   30    HE2  MET   5           HE2      MET   5 -22.877 -13.211   2.592
   31    HE3  MET   5           HE3      MET   5 -23.435 -13.790   4.161
   32    H    SER   6           HN       SER   6 -18.139  -9.135   3.924
   33    HA   SER   6           HA       SER   6 -20.264  -8.158   2.201
   34    HB2  SER   6           HB2      SER   6 -19.667  -6.380   3.964
   35    HB3  SER   6           HB1      SER   6 -18.127  -6.234   3.118
   36    HG   SER   6           HG       SER   6 -19.175  -4.899   1.878
   37    HA   PRO   7           HA       PRO   7 -16.527  -9.933   0.039
   38    HB2  PRO   7           HB2      PRO   7 -18.021 -11.260  -1.840
   39    HB3  PRO   7           HB1      PRO   7 -17.492 -11.971  -0.313
   40    HG2  PRO   7           HG2      PRO   7 -20.138 -10.790  -1.039
   41    HG3  PRO   7           HG1      PRO   7 -19.779 -12.236  -0.078
   42    HD2  PRO   7           HD2      PRO   7 -20.480  -9.898   1.061
   43    HD3  PRO   7           HD1      PRO   7 -19.332 -11.010   1.833
   44    H    ASP   8           HN       ASP   8 -19.363  -8.190  -0.938
   45    HA   ASP   8           HA       ASP   8 -18.531  -7.573  -3.593
   46    HB2  ASP   8           HB2      ASP   8 -20.874  -7.355  -2.996
   47    HB3  ASP   8           HB1      ASP   8 -20.482  -6.156  -1.765
   48    H    THR   9           HN       THR   9 -18.284  -5.859  -0.506
   49    HA   THR   9           HA       THR   9 -17.037  -3.533  -1.421
   50    HB   THR   9           HB       THR   9 -16.573  -4.923   1.225
   51    HG1  THR   9           HG1      THR   9 -18.645  -3.221   0.286
   52   HG21  THR   9          HG21      THR   9 -16.346  -2.013   0.445
   53   HG22  THR   9          HG22      THR   9 -14.994  -3.103   0.754
   54   HG23  THR   9          HG23      THR   9 -16.098  -2.675   2.062
   55    H    ALA  10           HN       ALA  10 -15.713  -6.635  -0.416
   56    HA   ALA  10           HA       ALA  10 -12.985  -5.957  -0.657
   57    HB1  ALA  10           HB1      ALA  10 -14.263  -8.675  -0.916
   58    HB2  ALA  10           HB2      ALA  10 -13.784  -7.909   0.599
   59    HB3  ALA  10           HB3      ALA  10 -12.561  -8.346  -0.595
   60    H    ARG  11           HN       ARG  11 -15.353  -7.252  -2.913
   61    HA   ARG  11           HA       ARG  11 -13.617  -7.818  -5.053
   62    HB2  ARG  11           HB2      ARG  11 -15.885  -8.673  -5.033
   63    HB3  ARG  11           HB1      ARG  11 -16.538  -7.040  -5.056
   64    HG2  ARG  11           HG2      ARG  11 -15.465  -6.723  -7.287
   65    HG3  ARG  11           HG1      ARG  11 -15.033  -8.432  -7.258
   66    HD2  ARG  11           HD2      ARG  11 -17.068  -8.099  -8.538
   67    HD3  ARG  11           HD1      ARG  11 -17.408  -9.020  -7.076
   68    HE   ARG  11           HE       ARG  11 -18.523  -7.146  -6.176
   69   HH11  ARG  11          HH11      ARG  11 -17.366  -6.568  -9.435
   70   HH12  ARG  11          HH12      ARG  11 -18.443  -5.238  -9.716
   71   HH21  ARG  11          HH21      ARG  11 -19.945  -5.399  -6.537
   72   HH22  ARG  11          HH22      ARG  11 -19.917  -4.576  -8.076
   73    H    ARG  12           HN       ARG  12 -15.403  -4.888  -4.189
   74    HA   ARG  12           HA       ARG  12 -14.770  -3.481  -6.568
   75    HB2  ARG  12           HB2      ARG  12 -15.637  -2.421  -3.876
   76    HB3  ARG  12           HB1      ARG  12 -15.616  -1.492  -5.368
   77    HG2  ARG  12           HG2      ARG  12 -17.229  -3.175  -6.312
   78    HG3  ARG  12           HG1      ARG  12 -17.365  -3.840  -4.683
   79    HD2  ARG  12           HD2      ARG  12 -18.013  -1.543  -3.904
   80    HD3  ARG  12           HD1      ARG  12 -18.073  -1.061  -5.594
   81    HE   ARG  12           HE       ARG  12 -19.762  -3.239  -4.537
   82   HH11  ARG  12          HH11      ARG  12 -19.387  -0.227  -6.299
   83   HH12  ARG  12          HH12      ARG  12 -21.053  -0.157  -6.776
   84   HH21  ARG  12          HH21      ARG  12 -21.948  -3.139  -5.147
   85   HH22  ARG  12          HH22      ARG  12 -22.514  -1.819  -6.122
   86    H    PHE  13           HN       PHE  13 -13.341  -3.508  -3.326
   87    HA   PHE  13           HA       PHE  13 -11.455  -1.460  -3.819
   88    HB2  PHE  13           HB2      PHE  13 -12.094  -2.332  -1.540
   89    HB3  PHE  13           HB1      PHE  13 -11.160  -3.778  -1.888
   90    HD1  PHE  13           HD1      PHE  13 -10.928  -0.136  -1.356
   91    HD2  PHE  13           HD2      PHE  13  -8.807  -3.811  -1.665
   92    HE1  PHE  13           HE1      PHE  13  -8.902   0.965  -0.499
   93    HE2  PHE  13           HE2      PHE  13  -6.779  -2.720  -0.808
   94    HZ   PHE  13           HZ       PHE  13  -6.822  -0.318  -0.242
   95    H    ASP  14           HN       ASP  14 -11.347  -4.958  -4.138
   96    HA   ASP  14           HA       ASP  14  -8.678  -5.294  -4.846
   97    HB2  ASP  14           HB2      ASP  14  -9.879  -7.237  -4.316
   98    HB3  ASP  14           HB1      ASP  14 -11.181  -6.848  -5.432
   99    H    THR  15           HN       THR  15 -11.443  -4.405  -6.838
  100    HA   THR  15           HA       THR  15  -9.904  -4.791  -9.264
  101    HB   THR  15           HB       THR  15 -12.120  -4.002 -10.320
  102    HG1  THR  15           HG1      THR  15 -13.176  -4.771  -7.800
  103   HG21  THR  15          HG21      THR  15 -12.007  -6.556  -8.712
  104   HG22  THR  15          HG22      THR  15 -11.359  -6.324 -10.336
  105   HG23  THR  15          HG23      THR  15 -13.099  -6.240 -10.060
  106    H    GLU  16           HN       GLU  16 -11.403  -2.085  -7.500
  107    HA   GLU  16           HA       GLU  16 -10.624  -0.304  -9.684
  108    HB2  GLU  16           HB2      GLU  16 -12.942  -0.220  -8.875
  109    HB3  GLU  16           HB1      GLU  16 -12.364   0.228  -7.276
  110    HG2  GLU  16           HG2      GLU  16 -13.204   2.140  -8.587
  111    HG3  GLU  16           HG1      GLU  16 -11.517   2.310  -8.098
  112    H    PHE  17           HN       PHE  17 -10.064  -0.688  -6.196
  113    HA   PHE  17           HA       PHE  17  -8.589   1.833  -6.242
  114    HB2  PHE  17           HB2      PHE  17  -9.661   0.197  -3.947
  115    HB3  PHE  17           HB1      PHE  17  -8.670   1.636  -3.734
  116    HD1  PHE  17           HD1      PHE  17  -9.524   3.841  -4.519
  117    HD2  PHE  17           HD2      PHE  17 -11.977   0.360  -4.472
  118    HE1  PHE  17           HE1      PHE  17 -11.534   5.253  -4.680
  119    HE2  PHE  17           HE2      PHE  17 -13.985   1.765  -4.634
  120    HZ   PHE  17           HZ       PHE  17 -13.766   4.215  -4.739
  121    H    ALA  18           HN       ALA  18  -8.096  -1.542  -5.203
  122    HA   ALA  18           HA       ALA  18  -5.581  -1.182  -4.086
  123    HB1  ALA  18           HB1      ALA  18  -5.290  -3.549  -4.203
  124    HB2  ALA  18           HB2      ALA  18  -6.513  -3.690  -5.462
  125    HB3  ALA  18           HB3      ALA  18  -6.979  -3.210  -3.832
  126    HA   PRO  19           HA       PRO  19  -3.533  -2.301  -8.356
  127    HB2  PRO  19           HB2      PRO  19  -5.601  -1.405 -10.280
  128    HB3  PRO  19           HB1      PRO  19  -4.582  -2.853 -10.319
  129    HG2  PRO  19           HG2      PRO  19  -7.177  -3.033  -9.762
  130    HG3  PRO  19           HG1      PRO  19  -5.991  -4.037  -8.905
  131    HD2  PRO  19           HD2      PRO  19  -7.345  -1.517  -7.996
  132    HD3  PRO  19           HD1      PRO  19  -7.077  -3.030  -7.106
  133    H    ARG  20           HN       ARG  20  -5.740   0.362  -7.921
  134    HA   ARG  20           HA       ARG  20  -4.304   2.234  -9.529
  135    HB2  ARG  20           HB2      ARG  20  -6.729   2.441  -8.951
  136    HB3  ARG  20           HB1      ARG  20  -6.260   2.793  -7.293
  137    HG2  ARG  20           HG2      ARG  20  -4.895   4.711  -8.266
  138    HG3  ARG  20           HG1      ARG  20  -5.808   4.444  -9.752
  139    HD2  ARG  20           HD2      ARG  20  -6.957   5.065  -7.043
  140    HD3  ARG  20           HD1      ARG  20  -6.829   6.188  -8.392
  141    HE   ARG  20           HE       ARG  20  -8.284   3.930  -9.214
  142   HH11  ARG  20          HH11      ARG  20  -8.567   6.725  -7.127
  143   HH12  ARG  20          HH12      ARG  20 -10.297   6.781  -7.222
  144   HH21  ARG  20          HH21      ARG  20 -10.578   4.004  -9.347
  145   HH22  ARG  20          HH22      ARG  20 -11.435   5.247  -8.476
  146    H    ILE  21           HN       ILE  21  -4.432   1.422  -6.100
  147    HA   ILE  21           HA       ILE  21  -2.738   3.460  -5.146
  148    HB   ILE  21           HB       ILE  21  -3.121   0.670  -4.039
  149   HG12  ILE  21          HG12      ILE  21  -4.490   3.251  -3.247
  150   HG13  ILE  21          HG11      ILE  21  -5.217   2.026  -4.281
  151   HG21  ILE  21          HG21      ILE  21  -2.102   3.163  -2.677
  152   HG22  ILE  21          HG22      ILE  21  -1.113   1.790  -3.177
  153   HG23  ILE  21          HG23      ILE  21  -2.336   1.586  -1.925
  154   HD11  ILE  21          HD11      ILE  21  -5.057   0.412  -2.424
  155   HD12  ILE  21          HD12      ILE  21  -6.050   1.813  -2.031
  156   HD13  ILE  21          HD13      ILE  21  -4.409   1.691  -1.396
  157    H    ALA  22           HN       ALA  22  -2.081   0.115  -6.114
  158    HA   ALA  22           HA       ALA  22   0.681   0.122  -5.643
  159    HB1  ALA  22           HB1      ALA  22  -0.867  -1.470  -7.682
  160    HB2  ALA  22           HB2      ALA  22  -0.633  -1.916  -5.991
  161    HB3  ALA  22           HB3      ALA  22   0.750  -1.841  -7.085
  162    H    ARG  23           HN       ARG  23  -1.207   1.051  -8.445
  163    HA   ARG  23           HA       ARG  23   0.942   1.336 -10.255
  164    HB2  ARG  23           HB2      ARG  23  -1.447   1.066 -10.878
  165    HB3  ARG  23           HB1      ARG  23  -1.764   2.683 -10.272
  166    HG2  ARG  23           HG2      ARG  23  -0.427   3.664 -11.983
  167    HG3  ARG  23           HG1      ARG  23   0.150   2.079 -12.508
  168    HD2  ARG  23           HD2      ARG  23  -1.584   2.887 -14.005
  169    HD3  ARG  23           HD1      ARG  23  -2.135   1.461 -13.134
  170    HE   ARG  23           HE       ARG  23  -2.936   4.219 -12.441
  171   HH11  ARG  23          HH11      ARG  23  -3.638   0.788 -12.656
  172   HH12  ARG  23          HH12      ARG  23  -5.312   0.980 -12.249
  173   HH21  ARG  23          HH21      ARG  23  -5.130   4.465 -11.890
  174   HH22  ARG  23          HH22      ARG  23  -6.165   3.070 -11.809
  175    H    ALA  24           HN       ALA  24  -0.723   3.612  -8.118
  176    HA   ALA  24           HA       ALA  24   0.636   5.933  -8.999
  177    HB1  ALA  24           HB1      ALA  24  -1.478   6.036  -7.779
  178    HB2  ALA  24           HB2      ALA  24  -0.227   6.977  -6.966
  179    HB3  ALA  24           HB3      ALA  24  -0.685   5.393  -6.341
  180    H    ILE  25           HN       ILE  25   1.168   3.746  -6.261
  181    HA   ILE  25           HA       ILE  25   3.400   5.050  -5.181
  182    HB   ILE  25           HB       ILE  25   2.700   2.107  -5.098
  183   HG12  ILE  25          HG12      ILE  25   2.160   4.341  -3.122
  184   HG13  ILE  25          HG11      ILE  25   0.960   3.574  -4.157
  185   HG21  ILE  25          HG21      ILE  25   4.635   3.695  -3.413
  186   HG22  ILE  25          HG22      ILE  25   5.035   2.414  -4.557
  187   HG23  ILE  25          HG23      ILE  25   4.132   2.036  -3.089
  188   HD11  ILE  25          HD11      ILE  25   0.852   2.736  -1.876
  189   HD12  ILE  25          HD12      ILE  25   2.532   2.206  -1.986
  190   HD13  ILE  25          HD13      ILE  25   1.304   1.460  -3.008
  191    H    ALA  26           HN       ALA  26   3.142   2.506  -7.619
  192    HA   ALA  26           HA       ALA  26   5.852   1.964  -7.991
  193    HB1  ALA  26           HB1      ALA  26   3.618   1.883 -10.015
  194    HB2  ALA  26           HB2      ALA  26   4.108   0.571  -8.943
  195    HB3  ALA  26           HB3      ALA  26   5.201   1.130 -10.208
  196    H    ASP  27           HN       ASP  27   3.810   4.496  -9.297
  197    HA   ASP  27           HA       ASP  27   5.668   5.542 -11.161
  198    HB2  ASP  27           HB2      ASP  27   3.317   6.091 -11.349
  199    HB3  ASP  27           HB1      ASP  27   3.318   6.823  -9.749
  200    H    LEU  28           HN       LEU  28   5.036   6.176  -7.758
  201    HA   LEU  28           HA       LEU  28   6.722   8.486  -7.617
  202    HB2  LEU  28           HB2      LEU  28   5.676   6.722  -5.401
  203    HB3  LEU  28           HB1      LEU  28   6.418   8.293  -5.187
  204    HG   LEU  28           HG       LEU  28   3.810   7.777  -6.623
  205   HD11  LEU  28          HD11      LEU  28   4.365   8.997  -3.925
  206   HD12  LEU  28          HD12      LEU  28   3.649   7.412  -4.219
  207   HD13  LEU  28          HD13      LEU  28   2.787   8.873  -4.702
  208   HD21  LEU  28          HD21      LEU  28   5.209  10.358  -5.917
  209   HD22  LEU  28          HD22      LEU  28   3.589  10.227  -6.595
  210   HD23  LEU  28          HD23      LEU  28   4.984   9.707  -7.540
  211    H    LEU  29           HN       LEU  29   7.160   5.069  -7.316
  212    HA   LEU  29           HA       LEU  29   9.842   5.393  -6.208
  213    HB2  LEU  29           HB2      LEU  29   8.295   2.887  -6.888
  214    HB3  LEU  29           HB1      LEU  29   9.837   2.944  -6.053
  215    HG   LEU  29           HG       LEU  29   7.245   4.080  -5.010
  216   HD11  LEU  29          HD11      LEU  29   7.261   1.634  -5.073
  217   HD12  LEU  29          HD12      LEU  29   7.297   2.249  -3.421
  218   HD13  LEU  29          HD13      LEU  29   8.772   1.626  -4.161
  219   HD21  LEU  29          HD21      LEU  29   9.987   3.890  -3.773
  220   HD22  LEU  29          HD22      LEU  29   8.516   4.274  -2.880
  221   HD23  LEU  29          HD23      LEU  29   9.083   5.358  -4.149
  222    H    ASN  30           HN       ASN  30   8.674   5.846  -9.110
  223    HA   ASN  30           HA       ASN  30   9.530   5.895 -11.207
  224    HB2  ASN  30           HB2      ASN  30  12.115   5.334  -9.744
  225    HB3  ASN  30           HB1      ASN  30  12.009   5.815 -11.435
  226   HD21  ASN  30          HD21      ASN  30  13.257   7.147  -9.114
  227   HD22  ASN  30          HD22      ASN  30  12.550   8.722  -9.060
  228    H    HIS  31           HN       HIS  31   8.617   3.328 -10.051
  229    HA   HIS  31           HA       HIS  31   8.427   1.145 -10.600
  230    HB2  HIS  31           HB2      HIS  31   9.570   2.174 -13.195
  231    HB3  HIS  31           HB1      HIS  31   9.049   0.505 -12.979
  232    HD1  HIS  31           HD1      HIS  31   6.484   0.094 -12.661
  233    HD2  HIS  31           HD2      HIS  31   7.531   4.023 -13.536
  234    HE1  HIS  31           HE1      HIS  31   4.335   1.247 -13.287
  235    HE2  HIS  31           HE2      HIS  31   4.976   3.658 -13.669
  236    H    ARG  32           HN       ARG  32  11.185   2.272  -9.619
  237    HA   ARG  32           HA       ARG  32  12.950   0.154 -10.481
  238    HB2  ARG  32           HB2      ARG  32  13.276   2.212  -8.288
  239    HB3  ARG  32           HB1      ARG  32  14.527   1.093  -8.803
  240    HG2  ARG  32           HG2      ARG  32  13.258   3.212 -10.525
  241    HG3  ARG  32           HG1      ARG  32  14.836   3.324  -9.745
  242    HD2  ARG  32           HD2      ARG  32  14.043   1.269 -11.805
  243    HD3  ARG  32           HD1      ARG  32  15.002   2.712 -12.120
  244    HE   ARG  32           HE       ARG  32  16.312   1.359 -10.106
  245   HH11  ARG  32          HH11      ARG  32  15.349   0.681 -13.399
  246   HH12  ARG  32          HH12      ARG  32  16.694  -0.369 -13.713
  247   HH21  ARG  32          HH21      ARG  32  18.075  -0.032 -10.503
  248   HH22  ARG  32          HH22      ARG  32  18.241  -0.788 -12.055
  249    H    ALA  33           HN       ALA  33  10.777   0.828  -7.889
  250    HA   ALA  33           HA       ALA  33  11.347  -1.795  -6.704
  251    HB1  ALA  33           HB1      ALA  33   9.710   0.499  -5.621
  252    HB2  ALA  33           HB2      ALA  33  11.340   0.060  -5.112
  253    HB3  ALA  33           HB3      ALA  33   9.993  -1.035  -4.802
  254    H    HIS  34           HN       HIS  34   9.669  -3.319  -6.547
  255    HA   HIS  34           HA       HIS  34   7.555  -2.854  -8.539
  256    HB2  HIS  34           HB2      HIS  34   9.195  -4.708  -8.977
  257    HB3  HIS  34           HB1      HIS  34   8.623  -5.501  -7.513
  258    HD1  HIS  34           HD1      HIS  34   7.646  -4.757 -11.042
  259    HD2  HIS  34           HD2      HIS  34   6.118  -6.755  -7.728
  260    HE1  HIS  34           HE1      HIS  34   5.710  -6.115 -11.901
  261    HE2  HIS  34           HE2      HIS  34   4.765  -7.268  -9.871
  262    H    THR  35           HN       THR  35   5.461  -3.042  -8.007
  263    HA   THR  35           HA       THR  35   4.853  -3.781  -5.225
  264    HB   THR  35           HB       THR  35   2.777  -2.431  -5.522
  265    HG1  THR  35           HG1      THR  35   2.958  -0.893  -7.387
  266   HG21  THR  35          HG21      THR  35   3.854  -0.273  -5.289
  267   HG22  THR  35          HG22      THR  35   5.312  -0.883  -6.073
  268   HG23  THR  35          HG23      THR  35   4.840  -1.503  -4.492
  269    H    ASP  36           HN       ASP  36   3.237  -5.265  -4.823
  270    HA   ASP  36           HA       ASP  36   1.875  -6.433  -7.148
  271    HB2  ASP  36           HB2      ASP  36   3.811  -7.890  -6.618
  272    HB3  ASP  36           HB1      ASP  36   3.224  -8.052  -4.966
  273    H    VAL  37           HN       VAL  37  -0.229  -6.539  -6.834
  274    HA   VAL  37           HA       VAL  37  -1.266  -5.989  -4.176
  275    HB   VAL  37           HB       VAL  37  -2.705  -6.167  -6.827
  276   HG11  VAL  37          HG11      VAL  37  -3.685  -5.192  -4.146
  277   HG12  VAL  37          HG12      VAL  37  -4.187  -6.673  -4.962
  278   HG13  VAL  37          HG13      VAL  37  -4.578  -5.103  -5.664
  279   HG21  VAL  37          HG21      VAL  37  -1.159  -4.291  -6.763
  280   HG22  VAL  37          HG22      VAL  37  -1.836  -3.763  -5.224
  281   HG23  VAL  37          HG23      VAL  37  -2.824  -3.718  -6.681
  282    H    VAL  38           HN       VAL  38  -1.466  -7.729  -2.922
  283    HA   VAL  38           HA       VAL  38  -2.326 -10.295  -3.734
  284    HB   VAL  38           HB       VAL  38  -2.772  -8.963  -1.050
  285   HG11  VAL  38          HG11      VAL  38  -2.849 -11.251  -0.178
  286   HG12  VAL  38          HG12      VAL  38  -2.725 -11.873  -1.825
  287   HG13  VAL  38          HG13      VAL  38  -4.140 -10.939  -1.337
  288   HG21  VAL  38          HG21      VAL  38  -0.457 -10.628  -2.024
  289   HG22  VAL  38          HG22      VAL  38  -0.712 -10.126  -0.354
  290   HG23  VAL  38          HG23      VAL  38  -0.420  -8.917  -1.603
  291    H    GLY  39           HN       GLY  39  -4.156 -10.526  -4.874
  292    HA2  GLY  39           HA2      GLY  39  -6.269  -8.562  -4.568
  293    HA3  GLY  39           HA1      GLY  39  -6.143  -9.774  -5.835
  294    H    TYR  40           HN       TYR  40  -8.506  -9.170  -4.530
  295    HA   TYR  40           HA       TYR  40  -8.991 -11.310  -2.622
  296    HB2  TYR  40           HB2      TYR  40 -10.110  -9.197  -2.178
  297    HB3  TYR  40           HB1      TYR  40 -10.828  -9.204  -3.790
  298    HD1  TYR  40           HD1      TYR  40 -10.724 -11.260  -0.661
  299    HD2  TYR  40           HD2      TYR  40 -12.990 -10.021  -4.050
  300    HE1  TYR  40           HE1      TYR  40 -12.693 -12.430   0.231
  301    HE2  TYR  40           HE2      TYR  40 -14.964 -11.189  -3.160
  302    HH   TYR  40           HH       TYR  40 -15.496 -12.999  -1.626
  303    H    GLY  41           HN       GLY  41  -9.346 -13.277  -3.334
  304    HA2  GLY  41           HA2      GLY  41 -11.184 -13.650  -5.587
  305    HA3  GLY  41           HA1      GLY  41  -9.615 -14.454  -5.634
  306    H    GLY  42           HN       GLY  42 -12.754 -14.959  -4.967
  307    HA2  GLY  42           HA2      GLY  42 -13.823 -16.775  -4.058
  308    HA3  GLY  42           HA1      GLY  42 -12.243 -17.474  -3.730
  309    H    HIS  43           HN       HIS  43 -11.454 -17.429  -1.680
  310    HA   HIS  43           HA       HIS  43 -12.639 -15.686   0.313
  311    HB2  HIS  43           HB2      HIS  43 -14.171 -17.679   0.147
  312    HB3  HIS  43           HB1      HIS  43 -12.821 -18.698   0.630
  313    HD1  HIS  43           HD1      HIS  43 -15.342 -16.300   1.954
  314    HD2  HIS  43           HD2      HIS  43 -12.112 -18.507   3.367
  315    HE1  HIS  43           HE1      HIS  43 -15.522 -16.234   4.461
  316    HE2  HIS  43           HE2      HIS  43 -13.688 -17.756   5.276
  317    H    GLY  44           HN       GLY  44 -11.314 -15.445   2.121
  318    HA2  GLY  44           HA2      GLY  44  -9.454 -15.731   3.466
  319    HA3  GLY  44           HA1      GLY  44  -9.094 -17.210   2.591
  320    H    HIS  45           HN       HIS  45  -9.510 -13.992   1.219
  321    HA   HIS  45           HA       HIS  45  -6.630 -13.820   0.746
  322    HB2  HIS  45           HB2      HIS  45  -8.755 -13.799  -1.388
  323    HB3  HIS  45           HB1      HIS  45  -7.214 -12.986  -1.631
  324    HD1  HIS  45           HD1      HIS  45  -8.754 -16.060  -2.416
  325    HD2  HIS  45           HD2      HIS  45  -5.002 -15.002  -0.957
  326    HE1  HIS  45           HE1      HIS  45  -7.256 -18.020  -2.904
  327    HE2  HIS  45           HE2      HIS  45  -5.019 -17.399  -1.915
  328    HA   PRO  46           HA       PRO  46  -8.199  -9.800   2.210
  329    HB2  PRO  46           HB2      PRO  46  -6.010  -9.190   3.680
  330    HB3  PRO  46           HB1      PRO  46  -7.295 -10.254   4.281
  331    HG2  PRO  46           HG2      PRO  46  -4.617 -10.958   3.148
  332    HG3  PRO  46           HG1      PRO  46  -5.483 -11.686   4.511
  333    HD2  PRO  46           HD2      PRO  46  -5.395 -12.771   1.998
  334    HD3  PRO  46           HD1      PRO  46  -6.705 -13.061   3.156
  335    H    THR  47           HN       THR  47  -8.082  -8.228   0.749
  336    HA   THR  47           HA       THR  47  -6.009  -7.986  -1.139
  337    HB   THR  47           HB       THR  47  -8.040  -5.863  -0.428
  338    HG1  THR  47           HG1      THR  47  -8.262  -8.248  -1.957
  339   HG21  THR  47          HG21      THR  47  -6.639  -6.530  -3.029
  340   HG22  THR  47          HG22      THR  47  -6.274  -5.152  -1.991
  341   HG23  THR  47          HG23      THR  47  -7.837  -5.257  -2.801
  342    H    GLN  48           HN       GLN  48  -4.182  -6.878  -1.133
  343    HA   GLN  48           HA       GLN  48  -3.678  -4.548   0.412
  344    HB2  GLN  48           HB2      GLN  48  -1.979  -5.441   1.925
  345    HB3  GLN  48           HB1      GLN  48  -3.538  -6.188   2.237
  346    HG2  GLN  48           HG2      GLN  48  -2.804  -8.148   0.905
  347    HG3  GLN  48           HG1      GLN  48  -1.213  -7.401   0.763
  348   HE21  GLN  48          HE21      GLN  48  -3.434  -9.044   2.856
  349   HE22  GLN  48          HE22      GLN  48  -2.338  -9.286   4.173
  350    H    VAL  49           HN       VAL  49  -1.502  -3.701  -0.009
  351    HA   VAL  49           HA       VAL  49  -0.380  -4.953  -2.422
  352    HB   VAL  49           HB       VAL  49  -1.453  -2.835  -2.968
  353   HG11  VAL  49          HG11      VAL  49  -0.572  -0.707  -2.120
  354   HG12  VAL  49          HG12      VAL  49   0.473  -1.594  -1.011
  355   HG13  VAL  49          HG13      VAL  49  -1.280  -1.690  -0.838
  356   HG21  VAL  49          HG21      VAL  49   0.512  -3.513  -4.238
  357   HG22  VAL  49          HG22      VAL  49   1.557  -2.676  -3.088
  358   HG23  VAL  49          HG23      VAL  49   0.436  -1.757  -4.092
  359    H    ARG  50           HN       ARG  50   1.548  -5.745  -2.202
  360    HA   ARG  50           HA       ARG  50   3.285  -4.744  -0.079
  361    HB2  ARG  50           HB2      ARG  50   4.670  -6.761  -0.573
  362    HB3  ARG  50           HB1      ARG  50   3.030  -7.128  -0.060
  363    HG2  ARG  50           HG2      ARG  50   2.384  -7.560  -2.364
  364    HG3  ARG  50           HG1      ARG  50   4.011  -7.137  -2.904
  365    HD2  ARG  50           HD2      ARG  50   3.607  -9.588  -2.730
  366    HD3  ARG  50           HD1      ARG  50   4.957  -9.008  -1.757
  367    HE   ARG  50           HE       ARG  50   2.526  -9.099  -0.257
  368   HH11  ARG  50          HH11      ARG  50   5.113 -11.087  -1.510
  369   HH12  ARG  50          HH12      ARG  50   4.981 -12.277  -0.257
  370   HH21  ARG  50          HH21      ARG  50   2.349 -10.661   1.406
  371   HH22  ARG  50          HH22      ARG  50   3.419 -12.027   1.414
  372    H    ILE  51           HN       ILE  51   5.220  -3.826  -0.411
  373    HA   ILE  51           HA       ILE  51   5.984  -3.265  -3.196
  374    HB   ILE  51           HB       ILE  51   6.930  -1.751  -0.756
  375   HG12  ILE  51          HG12      ILE  51   4.635  -1.048  -2.602
  376   HG13  ILE  51          HG11      ILE  51   4.469  -1.574  -0.931
  377   HG21  ILE  51          HG21      ILE  51   7.528  -0.040  -2.395
  378   HG22  ILE  51          HG22      ILE  51   6.898  -1.051  -3.693
  379   HG23  ILE  51          HG23      ILE  51   8.310  -1.575  -2.774
  380   HD11  ILE  51          HD11      ILE  51   5.717   0.430  -0.220
  381   HD12  ILE  51          HD12      ILE  51   4.217   0.809  -1.063
  382   HD13  ILE  51          HD13      ILE  51   5.761   0.964  -1.900
  383    H    VAL  52           HN       VAL  52   7.599  -4.491  -3.869
  384    HA   VAL  52           HA       VAL  52   9.593  -5.426  -1.914
  385    HB   VAL  52           HB       VAL  52   8.652  -6.897  -4.391
  386   HG11  VAL  52          HG11      VAL  52   9.926  -8.784  -3.533
  387   HG12  VAL  52          HG12      VAL  52  10.456  -7.820  -2.155
  388   HG13  VAL  52          HG13      VAL  52  10.971  -7.387  -3.786
  389   HG21  VAL  52          HG21      VAL  52   8.013  -7.454  -1.497
  390   HG22  VAL  52          HG22      VAL  52   7.554  -8.461  -2.870
  391   HG23  VAL  52          HG23      VAL  52   6.892  -6.834  -2.709
  392    H    ALA  53           HN       ALA  53  11.713  -5.253  -2.461
  393    HA   ALA  53           HA       ALA  53  12.348  -3.863  -4.968
  394    HB1  ALA  53           HB1      ALA  53  13.196  -2.847  -2.913
  395    HB2  ALA  53           HB2      ALA  53  14.523  -3.398  -3.936
  396    HB3  ALA  53           HB3      ALA  53  14.053  -4.337  -2.519
  397    HA   PRO  54           HA       PRO  54  13.587  -8.083  -6.156
  398    HB2  PRO  54           HB2      PRO  54  13.427  -7.152  -8.902
  399    HB3  PRO  54           HB1      PRO  54  12.399  -8.327  -8.070
  400    HG2  PRO  54           HG2      PRO  54  11.533  -5.864  -8.874
  401    HG3  PRO  54           HG1      PRO  54  10.840  -6.750  -7.505
  402    HD2  PRO  54           HD2      PRO  54  12.816  -4.496  -7.500
  403    HD3  PRO  54           HD1      PRO  54  11.439  -4.796  -6.416
  404    H    HIS  55           HN       HIS  55  15.591  -6.563  -5.247
  405    HA   HIS  55           HA       HIS  55  17.677  -7.119  -7.208
  406    HB2  HIS  55           HB2      HIS  55  17.084  -4.448  -6.032
  407    HB3  HIS  55           HB1      HIS  55  18.775  -4.908  -6.173
  408    HD1  HIS  55           HD1      HIS  55  15.804  -3.926  -8.201
  409    HD2  HIS  55           HD2      HIS  55  19.742  -5.097  -8.811
  410    HE1  HIS  55           HE1      HIS  55  16.310  -3.383 -10.600
  411    HE2  HIS  55           HE2      HIS  55  18.635  -4.255 -10.987
  412    H    ALA  56           HN       ALA  56  18.492  -8.814  -6.103
  413    HA   ALA  56           HA       ALA  56  18.863  -8.723  -3.244
  414    HB1  ALA  56           HB1      ALA  56  18.223 -10.807  -4.384
  415    HB2  ALA  56           HB2      ALA  56  19.723 -10.979  -3.476
  416    HB3  ALA  56           HB3      ALA  56  19.772 -10.806  -5.230
  417    H    GLU  57           HN       GLU  57  21.139  -9.609  -2.503
  418    HA   GLU  57           HA       GLU  57  23.321  -9.136  -2.125
  419    HB2  GLU  57           HB2      GLU  57  23.301  -8.687  -5.112
  420    HB3  GLU  57           HB1      GLU  57  24.763  -8.708  -4.135
  421    HG2  GLU  57           HG2      GLU  57  22.831 -10.988  -4.502
  422    HG3  GLU  57           HG1      GLU  57  24.422 -10.835  -5.243
  423    H    HIS  58           HN       HIS  58  21.717  -7.178  -1.355
  424    HA   HIS  58           HA       HIS  58  23.097  -4.727  -2.241
  425    HB2  HIS  58           HB2      HIS  58  20.617  -4.900  -2.816
  426    HB3  HIS  58           HB1      HIS  58  20.302  -4.798  -1.087
  427    HD1  HIS  58           HD1      HIS  58  20.951  -2.751  -4.050
  428    HD2  HIS  58           HD2      HIS  58  21.143  -2.254   0.073
  429    HE1  HIS  58           HE1      HIS  58  21.033  -0.274  -3.669
  430    HE2  HIS  58           HE2      HIS  58  20.970   0.009  -1.170
  431    H    VAL  59           HN       VAL  59  24.595  -5.664  -0.537
  432    HA   VAL  59           HA       VAL  59  23.722  -5.207   2.204
  433    HB   VAL  59           HB       VAL  59  26.463  -6.057   1.252
  434   HG11  VAL  59          HG11      VAL  59  25.111  -6.260   3.940
  435   HG12  VAL  59          HG12      VAL  59  26.452  -5.196   3.516
  436   HG13  VAL  59          HG13      VAL  59  26.686  -6.944   3.539
  437   HG21  VAL  59          HG21      VAL  59  25.765  -8.355   1.786
  438   HG22  VAL  59          HG22      VAL  59  24.824  -7.667   0.464
  439   HG23  VAL  59          HG23      VAL  59  24.125  -7.776   2.079
  440    H    ARG  60           HN       ARG  60  23.379  -2.909   1.493
  441    HA   ARG  60           HA       ARG  60  25.859  -1.357   1.866
  442    HB2  ARG  60           HB2      ARG  60  24.620  -1.303  -0.449
  443    HB3  ARG  60           HB1      ARG  60  23.490  -0.254   0.387
  444    HG2  ARG  60           HG2      ARG  60  25.105   1.071  -0.796
  445    HG3  ARG  60           HG1      ARG  60  25.346   1.263   0.940
  446    HD2  ARG  60           HD2      ARG  60  27.472   1.005  -0.314
  447    HD3  ARG  60           HD1      ARG  60  27.227  -0.252   0.896
  448    HE   ARG  60           HE       ARG  60  26.271  -1.039  -1.680
  449   HH11  ARG  60          HH11      ARG  60  29.162  -0.747   0.277
  450   HH12  ARG  60          HH12      ARG  60  30.024  -1.982  -0.585
  451   HH21  ARG  60          HH21      ARG  60  27.404  -2.654  -2.828
  452   HH22  ARG  60          HH22      ARG  60  29.025  -3.066  -2.358
  453    H    GLY  61           HN       GLY  61  25.505  -1.271   4.099
  454    HA2  GLY  61           HA2      GLY  61  24.722   0.040   5.912
  455    HA3  GLY  61           HA1      GLY  61  23.294   0.452   4.962
  456    H    TYR  62           HN       TYR  62  21.537  -0.947   4.924
  457    HA   TYR  62           HA       TYR  62  21.685  -3.208   6.801
  458    HB2  TYR  62           HB2      TYR  62  19.182  -1.982   5.606
  459    HB3  TYR  62           HB1      TYR  62  19.269  -3.143   6.928
  460    HD1  TYR  62           HD2      TYR  62  20.794  -2.270   8.963
  461    HD2  TYR  62           HD1      TYR  62  18.752   0.222   6.179
  462    HE1  TYR  62           HE2      TYR  62  20.831  -0.428  10.590
  463    HE2  TYR  62           HE1      TYR  62  18.792   2.072   7.801
  464    HH   TYR  62           HH       TYR  62  18.948   2.298  10.334
  465    H    ALA  63           HN       ALA  63  21.547  -5.251   6.035
  466    HA   ALA  63           HA       ALA  63  21.425  -5.594   3.146
  467    HB1  ALA  63           HB1      ALA  63  23.214  -6.678   4.426
  468    HB2  ALA  63           HB2      ALA  63  22.213  -7.852   3.573
  469    HB3  ALA  63           HB3      ALA  63  22.008  -7.612   5.308
  470    H    HIS  64           HN       HIS  64  18.988  -4.860   4.370
  471    HA   HIS  64           HA       HIS  64  17.410  -7.337   4.106
  472    HB2  HIS  64           HB2      HIS  64  16.752  -4.883   5.762
  473    HB3  HIS  64           HB1      HIS  64  15.716  -6.296   5.572
  474    HD1  HIS  64           HD1      HIS  64  16.143  -8.259   7.095
  475    HD2  HIS  64           HD2      HIS  64  19.117  -5.364   7.316
  476    HE1  HIS  64           HE1      HIS  64  17.593  -8.924   9.041
  477    HE2  HIS  64           HE2      HIS  64  19.464  -7.236   9.063
  478    HA   PRO  65           HA       PRO  65  16.058  -5.098   0.415
  479    HB2  PRO  65           HB2      PRO  65  14.369  -7.528   0.215
  480    HB3  PRO  65           HB1      PRO  65  15.449  -6.807  -0.982
  481    HG2  PRO  65           HG2      PRO  65  16.121  -9.051   0.290
  482    HG3  PRO  65           HG1      PRO  65  17.333  -7.810  -0.080
  483    HD2  PRO  65           HD2      PRO  65  15.971  -8.417   2.514
  484    HD3  PRO  65           HD1      PRO  65  17.664  -7.974   2.205
  485    H    LEU  66           HN       LEU  66  14.275  -3.890  -0.013
  486    HA   LEU  66           HA       LEU  66  12.378  -3.365   1.974
  487    HB2  LEU  66           HB2      LEU  66  12.955  -1.745   0.268
  488    HB3  LEU  66           HB1      LEU  66  12.320  -2.791  -0.986
  489    HG   LEU  66           HG       LEU  66  10.050  -2.534   0.053
  490   HD11  LEU  66          HD11      LEU  66  10.751  -1.872   2.291
  491   HD12  LEU  66          HD12      LEU  66   9.691  -0.660   1.572
  492   HD13  LEU  66          HD13      LEU  66  11.431  -0.378   1.645
  493   HD21  LEU  66          HD21      LEU  66  11.414  -0.014  -0.879
  494   HD22  LEU  66          HD22      LEU  66   9.676  -0.318  -0.884
  495   HD23  LEU  66          HD23      LEU  66  10.741  -1.272  -1.916
  496    H    ASN  67           HN       ASN  67  10.704  -4.507   2.609
  497    HA   ASN  67           HA       ASN  67   9.014  -5.864   0.670
  498    HB2  ASN  67           HB2      ASN  67  10.686  -7.565   1.504
  499    HB3  ASN  67           HB1      ASN  67  10.038  -7.317   3.126
  500   HD21  ASN  67          HD21      ASN  67   7.922  -8.013   3.583
  501   HD22  ASN  67          HD22      ASN  67   7.130  -9.193   2.597
  502    H    LEU  68           HN       LEU  68   7.493  -4.331   1.123
  503    HA   LEU  68           HA       LEU  68   6.596  -4.083   3.919
  504    HB2  LEU  68           HB2      LEU  68   7.437  -1.987   3.152
  505    HB3  LEU  68           HB1      LEU  68   6.608  -2.135   1.617
  506    HG   LEU  68           HG       LEU  68   4.437  -1.884   2.832
  507   HD11  LEU  68          HD11      LEU  68   4.493  -0.950   5.093
  508   HD12  LEU  68          HD12      LEU  68   6.236  -1.216   5.154
  509   HD13  LEU  68          HD13      LEU  68   5.135  -2.591   5.040
  510   HD21  LEU  68          HD21      LEU  68   5.458  -0.010   1.691
  511   HD22  LEU  68          HD22      LEU  68   6.435   0.353   3.113
  512   HD23  LEU  68          HD23      LEU  68   4.682   0.531   3.178
  513    H    ALA  69           HN       ALA  69   4.554  -4.585   4.408
  514    HA   ALA  69           HA       ALA  69   2.673  -5.036   2.180
  515    HB1  ALA  69           HB1      ALA  69   2.575  -6.239   4.943
  516    HB2  ALA  69           HB2      ALA  69   3.211  -7.048   3.511
  517    HB3  ALA  69           HB3      ALA  69   1.502  -6.611   3.593
  518    H    LEU  70           HN       LEU  70   1.333  -3.398   1.955
  519    HA   LEU  70           HA       LEU  70   0.627  -1.736   4.247
  520    HB2  LEU  70           HB2      LEU  70   0.156  -1.416   1.279
  521    HB3  LEU  70           HB1      LEU  70  -0.423  -0.280   2.483
  522    HG   LEU  70           HG       LEU  70   2.502  -0.925   2.084
  523   HD11  LEU  70          HD11      LEU  70   2.641   1.192   0.882
  524   HD12  LEU  70          HD12      LEU  70   0.886   1.357   0.965
  525   HD13  LEU  70          HD13      LEU  70   1.606   0.036   0.044
  526   HD21  LEU  70          HD21      LEU  70   1.039   1.263   3.552
  527   HD22  LEU  70          HD22      LEU  70   2.780   1.233   3.277
  528   HD23  LEU  70          HD23      LEU  70   2.021  -0.018   4.263
  529    H    THR  71           HN       THR  71  -1.199  -2.094   5.333
  530    HA   THR  71           HA       THR  71  -3.509  -3.114   3.822
  531    HB   THR  71           HB       THR  71  -4.285  -4.194   5.970
  532    HG1  THR  71           HG1      THR  71  -1.781  -3.222   6.785
  533   HG21  THR  71          HG21      THR  71  -3.311  -5.558   4.210
  534   HG22  THR  71          HG22      THR  71  -2.797  -6.152   5.788
  535   HG23  THR  71          HG23      THR  71  -1.689  -5.199   4.799
  536    H    TRP  72           HN       TRP  72  -5.553  -2.299   4.465
  537    HA   TRP  72           HA       TRP  72  -5.411   0.142   6.100
  538    HB2  TRP  72           HB2      TRP  72  -6.776  -0.260   3.434
  539    HB3  TRP  72           HB1      TRP  72  -7.181   1.076   4.515
  540    HD1  TRP  72           HD1      TRP  72  -5.362   3.020   4.799
  541    HE1  TRP  72           HE1      TRP  72  -3.349   3.720   3.358
  542    HE3  TRP  72           HE3      TRP  72  -4.927  -1.180   1.910
  543    HZ2  TRP  72           HZ2      TRP  72  -1.795   2.645   1.269
  544    HZ3  TRP  72           HZ3      TRP  72  -3.148  -1.258   0.211
  545    HH2  TRP  72           HH2      TRP  72  -1.616   0.618  -0.095
  546    H    ASN  73           HN       ASN  73  -7.340   0.769   7.130
  547    HA   ASN  73           HA       ASN  73  -8.682  -1.303   8.433
  548    HB2  ASN  73           HB2      ASN  73  -9.481   1.597   8.130
  549    HB3  ASN  73           HB1      ASN  73 -10.158   0.481   9.311
  550   HD21  ASN  73          HD21      ASN  73  -8.710   2.994   9.667
  551   HD22  ASN  73          HD22      ASN  73  -7.346   2.614  10.669
  552    H    THR  74           HN       THR  74 -10.421  -2.454   7.970
  553    HA   THR  74           HA       THR  74 -11.579  -2.542   5.441
  554    HB   THR  74           HB       THR  74 -12.901  -3.505   7.981
  555    HG1  THR  74           HG1      THR  74 -11.374  -5.331   6.625
  556   HG21  THR  74          HG21      THR  74 -13.802  -5.265   6.550
  557   HG22  THR  74          HG22      THR  74 -12.955  -4.591   5.159
  558   HG23  THR  74          HG23      THR  74 -14.252  -3.677   5.930
  559    H    ASP  75           HN       ASP  75 -12.498  -0.721   8.295
  560    HA   ASP  75           HA       ASP  75 -15.079   0.054   7.431
  561    HB2  ASP  75           HB2      ASP  75 -13.168   1.472   9.303
  562    HB3  ASP  75           HB1      ASP  75 -14.878   1.848   9.119
  563    H    GLU  76           HN       GLU  76 -11.921   1.644   7.227
  564    HA   GLU  76           HA       GLU  76 -12.642   3.865   5.725
  565    HB2  GLU  76           HB2      GLU  76 -10.137   2.308   6.090
  566    HB3  GLU  76           HB1      GLU  76 -10.199   3.404   4.720
  567    HG2  GLU  76           HG2      GLU  76  -9.181   4.373   6.757
  568    HG3  GLU  76           HG1      GLU  76 -10.559   5.281   6.140
  569    H    ILE  77           HN       ILE  77 -11.782   0.605   4.631
  570    HA   ILE  77           HA       ILE  77 -11.981   1.031   1.874
  571    HB   ILE  77           HB       ILE  77 -12.688  -1.477   3.412
  572   HG12  ILE  77          HG12      ILE  77 -10.064  -0.590   2.172
  573   HG13  ILE  77          HG11      ILE  77 -10.408  -0.727   3.895
  574   HG21  ILE  77          HG21      ILE  77 -12.197  -2.655   1.307
  575   HG22  ILE  77          HG22      ILE  77 -11.981  -1.102   0.501
  576   HG23  ILE  77          HG23      ILE  77 -13.560  -1.547   1.144
  577   HD11  ILE  77          HD11      ILE  77  -9.089  -2.607   3.101
  578   HD12  ILE  77          HD12      ILE  77 -10.343  -3.006   1.927
  579   HD13  ILE  77          HD13      ILE  77 -10.677  -3.141   3.650
  580    H    GLU  78           HN       GLU  78 -14.446   0.145   4.237
  581    HA   GLU  78           HA       GLU  78 -16.634  -0.146   2.508
  582    HB2  GLU  78           HB2      GLU  78 -16.661  -0.877   4.847
  583    HB3  GLU  78           HB1      GLU  78 -16.536   0.790   5.386
  584    HG2  GLU  78           HG2      GLU  78 -18.734   1.221   4.261
  585    HG3  GLU  78           HG1      GLU  78 -18.858  -0.520   4.001
  586    H    ARG  79           HN       ARG  79 -15.350   2.663   4.202
  587    HA   ARG  79           HA       ARG  79 -17.330   4.507   3.632
  588    HB2  ARG  79           HB2      ARG  79 -15.052   4.586   5.049
  589    HB3  ARG  79           HB1      ARG  79 -14.528   5.480   3.628
  590    HG2  ARG  79           HG2      ARG  79 -15.324   7.002   5.318
  591    HG3  ARG  79           HG1      ARG  79 -16.413   7.030   3.929
  592    HD2  ARG  79           HD2      ARG  79 -17.633   7.005   6.065
  593    HD3  ARG  79           HD1      ARG  79 -17.975   5.578   5.091
  594    HE   ARG  79           HE       ARG  79 -16.069   5.558   7.346
  595   HH11  ARG  79          HH11      ARG  79 -18.700   4.082   5.544
  596   HH12  ARG  79          HH12      ARG  79 -18.784   2.682   6.570
  597   HH21  ARG  79          HH21      ARG  79 -16.186   3.715   8.691
  598   HH22  ARG  79          HH22      ARG  79 -17.365   2.484   8.363
  599    H    LEU  80           HN       LEU  80 -14.851   3.256   1.547
  600    HA   LEU  80           HA       LEU  80 -14.783   5.370  -0.338
  601    HB2  LEU  80           HB2      LEU  80 -14.183   2.435  -0.736
  602    HB3  LEU  80           HB1      LEU  80 -13.750   3.721  -1.847
  603    HG   LEU  80           HG       LEU  80 -12.694   3.380   0.964
  604   HD11  LEU  80          HD11      LEU  80 -10.569   2.898  -0.143
  605   HD12  LEU  80          HD12      LEU  80 -11.363   2.999  -1.714
  606   HD13  LEU  80          HD13      LEU  80 -11.809   1.723  -0.581
  607   HD21  LEU  80          HD21      LEU  80 -12.014   5.426  -1.147
  608   HD22  LEU  80          HD22      LEU  80 -11.162   5.210   0.381
  609   HD23  LEU  80          HD23      LEU  80 -12.844   5.736   0.377
  610    H    MET  81           HN       MET  81 -17.174   3.070   0.345
  611    HA   MET  81           HA       MET  81 -18.365   2.857  -2.233
  612    HB2  MET  81           HB2      MET  81 -19.430   2.429   0.557
  613    HB3  MET  81           HB1      MET  81 -20.439   2.235  -0.866
  614    HG2  MET  81           HG2      MET  81 -17.905   0.703  -0.320
  615    HG3  MET  81           HG1      MET  81 -19.541   0.107  -0.042
  616    HE1  MET  81           HE1      MET  81 -20.968  -0.005  -3.703
  617    HE2  MET  81           HE2      MET  81 -21.024   1.415  -2.662
  618    HE3  MET  81           HE3      MET  81 -21.331  -0.185  -1.987
  619    H    GLU  82           HN       GLU  82 -18.261   5.346   0.093
  620    HA   GLU  82           HA       GLU  82 -20.501   6.751  -1.191
  621    HB2  GLU  82           HB2      GLU  82 -19.082   7.269   1.437
  622    HB3  GLU  82           HB1      GLU  82 -20.360   8.287   0.784
  623    HG2  GLU  82           HG2      GLU  82 -20.610   5.404   1.599
  624    HG3  GLU  82           HG1      GLU  82 -21.218   6.798   2.481
  625    H    ALA  83           HN       ALA  83 -20.190   8.936  -1.854
  626    HA   ALA  83           HA       ALA  83 -17.780   9.294  -3.289
  627    HB1  ALA  83           HB1      ALA  83 -18.729  11.419  -3.998
  628    HB2  ALA  83           HB2      ALA  83 -19.973  11.292  -2.757
  629    HB3  ALA  83           HB3      ALA  83 -19.934  10.135  -4.086
  630    H    ASP  84           HN       ASP  84 -18.864  10.415  -0.174
  631    HA   ASP  84           HA       ASP  84 -16.945  12.467   0.192
  632    HB2  ASP  84           HB2      ASP  84 -18.228  10.723   2.318
  633    HB3  ASP  84           HB1      ASP  84 -17.418  12.260   2.590
  634    H    GLY  85           HN       GLY  85 -16.916   9.006   0.664
  635    HA2  GLY  85           HA2      GLY  85 -14.395   8.910   2.019
  636    HA3  GLY  85           HA1      GLY  85 -15.258   7.545   1.313
  637    H    ALA  86           HN       ALA  86 -15.441   8.242  -1.323
  638    HA   ALA  86           HA       ALA  86 -12.993   7.670  -2.434
  639    HB1  ALA  86           HB1      ALA  86 -15.204   9.233  -3.756
  640    HB2  ALA  86           HB2      ALA  86 -15.174   7.480  -3.579
  641    HB3  ALA  86           HB3      ALA  86 -13.952   8.288  -4.559
  642    H    ALA  87           HN       ALA  87 -14.416  10.844  -1.782
  643    HA   ALA  87           HA       ALA  87 -12.444  12.422  -2.991
  644    HB1  ALA  87           HB1      ALA  87 -14.113  13.064  -0.564
  645    HB2  ALA  87           HB2      ALA  87 -14.603  13.299  -2.242
  646    HB3  ALA  87           HB3      ALA  87 -13.260  14.228  -1.576
  647    H    ARG  88           HN       ARG  88 -12.604  10.929   0.187
  648    HA   ARG  88           HA       ARG  88 -10.348  12.284   1.277
  649    HB2  ARG  88           HB2      ARG  88 -12.143  11.170   2.621
  650    HB3  ARG  88           HB1      ARG  88 -11.518   9.615   2.093
  651    HG2  ARG  88           HG2      ARG  88 -10.744  10.136   4.329
  652    HG3  ARG  88           HG1      ARG  88  -9.388  10.096   3.199
  653    HD2  ARG  88           HD2      ARG  88  -9.241  11.985   4.768
  654    HD3  ARG  88           HD1      ARG  88  -9.362  12.517   3.093
  655    HE   ARG  88           HE       ARG  88 -11.934  12.408   4.254
  656   HH11  ARG  88          HH11      ARG  88  -8.988  14.299   4.385
  657   HH12  ARG  88          HH12      ARG  88  -9.805  15.766   4.807
  658   HH21  ARG  88          HH21      ARG  88 -13.003  14.349   4.799
  659   HH22  ARG  88          HH22      ARG  88 -12.079  15.799   5.042
  660    H    PHE  89           HN       PHE  89 -10.846   9.311  -0.496
  661    HA   PHE  89           HA       PHE  89  -8.299   8.173  -0.231
  662    HB2  PHE  89           HB2      PHE  89 -10.213   6.940  -1.129
  663    HB3  PHE  89           HB1      PHE  89 -10.262   8.005  -2.531
  664    HD1  PHE  89           HD2      PHE  89  -8.316   5.371  -0.835
  665    HD2  PHE  89           HD1      PHE  89  -8.850   7.638  -4.399
  666    HE1  PHE  89           HE2      PHE  89  -6.795   3.865  -2.020
  667    HE2  PHE  89           HE1      PHE  89  -7.324   6.129  -5.589
  668    HZ   PHE  89           HZ       PHE  89  -6.326   4.226  -4.434
  669    H    GLU  90           HN       GLU  90  -9.570  10.532  -2.553
  670    HA   GLU  90           HA       GLU  90  -7.267  10.603  -4.197
  671    HB2  GLU  90           HB2      GLU  90  -9.540  12.528  -3.761
  672    HB3  GLU  90           HB1      GLU  90  -8.215  12.901  -4.854
  673    HG2  GLU  90           HG2      GLU  90 -10.048  10.522  -5.067
  674    HG3  GLU  90           HG1      GLU  90 -10.143  11.991  -6.037
  675    H    ARG  91           HN       ARG  91  -8.220  12.324  -1.305
  676    HA   ARG  91           HA       ARG  91  -6.118  14.236  -1.354
  677    HB2  ARG  91           HB2      ARG  91  -8.296  14.341  -0.030
  678    HB3  ARG  91           HB1      ARG  91  -7.555  13.222   1.101
  679    HG2  ARG  91           HG2      ARG  91  -7.354  15.465   1.936
  680    HG3  ARG  91           HG1      ARG  91  -5.754  14.864   1.493
  681    HD2  ARG  91           HD2      ARG  91  -6.109  17.185   0.760
  682    HD3  ARG  91           HD1      ARG  91  -5.838  16.094  -0.598
  683    HE   ARG  91           HE       ARG  91  -8.614  16.390  -0.066
  684   HH11  ARG  91          HH11      ARG  91  -5.882  18.030  -1.511
  685   HH12  ARG  91          HH12      ARG  91  -6.857  18.967  -2.594
  686   HH21  ARG  91          HH21      ARG  91  -9.900  17.614  -1.496
  687   HH22  ARG  91          HH22      ARG  91  -9.149  18.741  -2.579
  688    H    TYR  92           HN       TYR  92  -6.397  10.942  -0.330
  689    HA   TYR  92           HA       TYR  92  -4.038  10.903   1.302
  690    HB2  TYR  92           HB2      TYR  92  -5.827   9.301   1.716
  691    HB3  TYR  92           HB1      TYR  92  -5.677   8.670   0.081
  692    HD1  TYR  92           HD1      TYR  92  -3.806   9.028   3.281
  693    HD2  TYR  92           HD2      TYR  92  -4.243   6.878  -0.368
  694    HE1  TYR  92           HE1      TYR  92  -2.198   7.347   4.083
  695    HE2  TYR  92           HE2      TYR  92  -2.637   5.194   0.426
  696    HH   TYR  92           HH       TYR  92  -0.780   5.045   2.068
  697    H    LEU  93           HN       LEU  93  -4.856  10.156  -2.037
  698    HA   LEU  93           HA       LEU  93  -2.439   8.972  -2.822
  699    HB2  LEU  93           HB2      LEU  93  -4.316  10.700  -4.442
  700    HB3  LEU  93           HB1      LEU  93  -3.032   9.715  -5.118
  701    HG   LEU  93           HG       LEU  93  -5.468   8.686  -3.655
  702   HD11  LEU  93          HD11      LEU  93  -6.097   7.802  -5.851
  703   HD12  LEU  93          HD12      LEU  93  -4.700   8.604  -6.568
  704   HD13  LEU  93          HD13      LEU  93  -5.997   9.562  -5.854
  705   HD21  LEU  93          HD21      LEU  93  -3.167   7.227  -4.952
  706   HD22  LEU  93          HD22      LEU  93  -4.673   6.468  -4.443
  707   HD23  LEU  93          HD23      LEU  93  -3.612   7.207  -3.246
  708    H    ALA  94           HN       ALA  94  -3.466  12.332  -2.702
  709    HA   ALA  94           HA       ALA  94  -1.109  13.461  -3.757
  710    HB1  ALA  94           HB1      ALA  94  -3.216  14.668  -3.658
  711    HB2  ALA  94           HB2      ALA  94  -1.951  15.557  -2.810
  712    HB3  ALA  94           HB3      ALA  94  -3.158  14.653  -1.897
  713    H    ALA  95           HN       ALA  95  -1.790  12.075  -0.702
  714    HA   ALA  95           HA       ALA  95   0.407  13.532   0.576
  715    HB1  ALA  95           HB1      ALA  95  -1.675  11.751   1.826
  716    HB2  ALA  95           HB2      ALA  95  -1.742  13.511   1.754
  717    HB3  ALA  95           HB3      ALA  95  -0.471  12.713   2.683
  718    H    LEU  96           HN       LEU  96   0.086  10.825  -1.199
  719    HA   LEU  96           HA       LEU  96   1.166   8.732   0.216
  720    HB2  LEU  96           HB2      LEU  96   1.528   9.477  -2.671
  721    HB3  LEU  96           HB1      LEU  96   2.188   8.005  -1.997
  722    HG   LEU  96           HG       LEU  96  -0.739   8.708  -1.976
  723   HD11  LEU  96          HD11      LEU  96  -0.964   7.068  -3.773
  724   HD12  LEU  96          HD12      LEU  96   0.787   6.862  -3.807
  725   HD13  LEU  96          HD13      LEU  96   0.072   8.410  -4.258
  726   HD21  LEU  96          HD21      LEU  96   0.747   6.172  -1.310
  727   HD22  LEU  96          HD22      LEU  96  -1.004   6.297  -1.467
  728   HD23  LEU  96          HD23      LEU  96  -0.170   7.188  -0.196
  729    HA   PRO  97           HA       PRO  97   5.707  10.210  -0.837
  730    HB2  PRO  97           HB2      PRO  97   5.956  12.942  -1.042
  731    HB3  PRO  97           HB1      PRO  97   5.860  11.843  -2.423
  732    HG2  PRO  97           HG2      PRO  97   3.690  13.471  -1.148
  733    HG3  PRO  97           HG1      PRO  97   4.039  13.225  -2.871
  734    HD2  PRO  97           HD2      PRO  97   2.074  11.883  -1.664
  735    HD3  PRO  97           HD1      PRO  97   3.101  11.096  -2.881
  736    H    ARG  98           HN       ARG  98   3.408  12.138   0.995
  737    HA   ARG  98           HA       ARG  98   5.342  12.984   2.956
  738    HB2  ARG  98           HB2      ARG  98   3.421  14.394   2.355
  739    HB3  ARG  98           HB1      ARG  98   2.321  13.150   2.926
  740    HG2  ARG  98           HG2      ARG  98   3.160  13.439   5.195
  741    HG3  ARG  98           HG1      ARG  98   4.279  14.681   4.624
  742    HD2  ARG  98           HD2      ARG  98   2.439  16.072   3.922
  743    HD3  ARG  98           HD1      ARG  98   1.284  14.811   4.342
  744    HE   ARG  98           HE       ARG  98   2.955  15.769   6.510
  745   HH11  ARG  98          HH11      ARG  98  -0.065  16.069   4.780
  746   HH12  ARG  98          HH12      ARG  98  -0.923  16.762   6.123
  747   HH21  ARG  98          HH21      ARG  98   1.846  16.700   8.289
  748   HH22  ARG  98          HH22      ARG  98   0.169  17.114   8.123
  749    H    LYS  99           HN       LYS  99   2.838  10.543   2.650
  750    HA   LYS  99           HA       LYS  99   3.006   9.523   5.298
  751    HB2  LYS  99           HB2      LYS  99   2.145   8.199   2.718
  752    HB3  LYS  99           HB1      LYS  99   1.911   7.510   4.310
  753    HG2  LYS  99           HG2      LYS  99   0.730  10.120   3.400
  754    HG3  LYS  99           HG1      LYS  99  -0.110   8.570   3.351
  755    HD2  LYS  99           HD2      LYS  99   0.208   8.380   5.805
  756    HD3  LYS  99           HD1      LYS  99   0.917   9.996   5.803
  757    HE2  LYS  99           HE2      LYS  99  -1.159  10.918   4.927
  758    HE3  LYS  99           HE1      LYS  99  -1.867   9.308   4.869
  759    HZ1  LYS  99           HZ1      LYS  99  -2.592  10.511   6.822
  760    HZ2  LYS  99           HZ2      LYS  99  -0.990  10.724   7.325
  761    HZ3  LYS  99           HZ3      LYS  99  -1.659   9.171   7.273
  762    H    LEU 100           HN       LEU 100   4.526   8.766   2.238
  763    HA   LEU 100           HA       LEU 100   5.961   6.495   2.898
  764    HB2  LEU 100           HB2      LEU 100   5.671   7.614   0.630
  765    HB3  LEU 100           HB1      LEU 100   6.958   8.704   1.107
  766    HG   LEU 100           HG       LEU 100   8.385   6.603   1.438
  767   HD11  LEU 100          HD11      LEU 100   7.710   4.680   0.071
  768   HD12  LEU 100          HD12      LEU 100   6.144   5.442  -0.205
  769   HD13  LEU 100          HD13      LEU 100   6.616   4.960   1.424
  770   HD21  LEU 100          HD21      LEU 100   8.713   8.178  -0.391
  771   HD22  LEU 100          HD22      LEU 100   7.458   7.367  -1.328
  772   HD23  LEU 100          HD23      LEU 100   8.955   6.519  -0.939
  773    H    ALA 101           HN       ALA 101   6.953   9.896   3.077
  774    HA   ALA 101           HA       ALA 101   9.517   9.485   4.119
  775    HB1  ALA 101           HB1      ALA 101   8.778  11.608   3.159
  776    HB2  ALA 101           HB2      ALA 101   9.437  11.829   4.780
  777    HB3  ALA 101           HB3      ALA 101   7.693  11.848   4.528
  778    H    ALA 102           HN       ALA 102   6.388   9.854   5.724
  779    HA   ALA 102           HA       ALA 102   7.335  10.039   8.357
  780    HB1  ALA 102           HB1      ALA 102   5.069   9.418   9.022
  781    HB2  ALA 102           HB2      ALA 102   4.717   8.911   7.369
  782    HB3  ALA 102           HB3      ALA 102   5.046  10.607   7.721
  783    H    TRP 103           HN       TRP 103   6.394   7.235   6.398
  784    HA   TRP 103           HA       TRP 103   6.743   5.328   8.462
  785    HB2  TRP 103           HB2      TRP 103   6.799   4.987   5.452
  786    HB3  TRP 103           HB1      TRP 103   6.793   3.651   6.602
  787    HD1  TRP 103           HD1      TRP 103   4.537   4.863   8.581
  788    HE1  TRP 103           HE1      TRP 103   2.087   4.876   7.792
  789    HE3  TRP 103           HE3      TRP 103   5.313   4.475   3.549
  790    HZ2  TRP 103           HZ2      TRP 103   0.678   4.737   5.353
  791    HZ3  TRP 103           HZ3      TRP 103   3.362   4.418   2.057
  792    HH2  TRP 103           HH2      TRP 103   1.090   4.547   2.940
  793    H    GLU 104           HN       GLU 104   8.925   6.730   6.092
  794    HA   GLU 104           HA       GLU 104  11.049   4.924   6.409
  795    HB2  GLU 104           HB2      GLU 104  11.160   7.872   5.751
  796    HB3  GLU 104           HB1      GLU 104  12.497   6.749   5.572
  797    HG2  GLU 104           HG2      GLU 104  11.022   5.436   4.000
  798    HG3  GLU 104           HG1      GLU 104   9.920   6.814   4.032
  799    H    ASN 105           HN       ASN 105  10.406   8.006   8.025
  800    HA   ASN 105           HA       ASN 105  12.678   7.883   9.718
  801    HB2  ASN 105           HB2      ASN 105  11.563   9.998   9.159
  802    HB3  ASN 105           HB1      ASN 105  10.119   9.472  10.017
  803   HD21  ASN 105          HD21      ASN 105  13.421   8.943  11.123
  804   HD22  ASN 105          HD22      ASN 105  13.304   9.967  12.511
  805    H    ALA 106           HN       ALA 106   9.308   6.898  10.148
  806    HA   ALA 106           HA       ALA 106   9.701   6.484  12.985
  807    HB1  ALA 106           HB1      ALA 106   7.284   5.926  11.278
  808    HB2  ALA 106           HB2      ALA 106   7.605   7.427  12.147
  809    HB3  ALA 106           HB3      ALA 106   7.339   5.929  13.039
  810    H    ARG 107           HN       ARG 107   9.492   4.479  10.099
  811    HA   ARG 107           HA       ARG 107   9.383   2.104  11.828
  812    HB2  ARG 107           HB2      ARG 107   8.738   2.370   8.893
  813    HB3  ARG 107           HB1      ARG 107   8.665   0.869   9.802
  814    HG2  ARG 107           HG2      ARG 107   6.977   3.326  10.261
  815    HG3  ARG 107           HG1      ARG 107   6.451   1.805   9.540
  816    HD2  ARG 107           HD2      ARG 107   7.361   2.244  12.388
  817    HD3  ARG 107           HD1      ARG 107   5.725   1.888  11.845
  818    HE   ARG 107           HE       ARG 107   7.500  -0.158  11.013
  819   HH11  ARG 107          HH11      ARG 107   5.886   1.081  13.856
  820   HH12  ARG 107          HH12      ARG 107   5.891  -0.443  14.683
  821   HH21  ARG 107          HH21      ARG 107   7.502  -2.176  12.092
  822   HH22  ARG 107          HH22      ARG 107   6.816  -2.292  13.679
  823    H    GLY 108           HN       GLY 108  11.684   3.871  10.328
  824    HA2  GLY 108           HA2      GLY 108  13.932   3.419  10.066
  825    HA3  GLY 108           HA1      GLY 108  13.621   1.810  10.702
  826    H    VAL 109           HN       VAL 109  12.583   3.565   7.799
  827    HA   VAL 109           HA       VAL 109  13.562   1.294   6.198
  828    HB   VAL 109           HB       VAL 109  10.991   2.799   5.654
  829   HG11  VAL 109          HG11      VAL 109  12.196   0.397   4.295
  830   HG12  VAL 109          HG12      VAL 109  12.068   2.022   3.625
  831   HG13  VAL 109          HG13      VAL 109  10.611   1.082   3.947
  832   HG21  VAL 109          HG21      VAL 109  10.742   1.358   7.610
  833   HG22  VAL 109          HG22      VAL 109  11.360  -0.010   6.685
  834   HG23  VAL 109          HG23      VAL 109   9.827   0.734   6.237
  835    H    ASP 110           HN       ASP 110  14.519   1.833   4.240
  836    HA   ASP 110           HA       ASP 110  14.748   4.723   3.673
  837    HB2  ASP 110           HB2      ASP 110  16.834   3.646   4.683
  838    HB3  ASP 110           HB1      ASP 110  16.956   2.701   3.199
  839    H    PHE 111           HN       PHE 111  13.372   4.878   1.970
  840    HA   PHE 111           HA       PHE 111  13.110   2.800   0.022
  841    HB2  PHE 111           HB2      PHE 111  11.939   5.536   0.329
  842    HB3  PHE 111           HB1      PHE 111  11.759   4.671  -1.193
  843    HD1  PHE 111           HD2      PHE 111  11.125   4.421   2.447
  844    HD2  PHE 111           HD1      PHE 111  10.131   3.012  -1.438
  845    HE1  PHE 111           HE2      PHE 111   9.216   3.193   3.386
  846    HE2  PHE 111           HE1      PHE 111   8.221   1.776  -0.510
  847    HZ   PHE 111           HZ       PHE 111   7.780   1.827   1.902
  848    H    GLY 112           HN       GLY 112  15.345   5.316   0.369
  849    HA2  GLY 112           HA2      GLY 112  15.904   5.739  -2.407
  850    HA3  GLY 112           HA1      GLY 112  16.964   6.144  -1.060
  851    H    SER 113           HN       SER 113  17.385   3.769   0.129
  852    HA   SER 113           HA       SER 113  19.051   2.380  -1.794
  853    HB2  SER 113           HB2      SER 113  20.018   2.890   0.370
  854    HB3  SER 113           HB1      SER 113  18.692   2.078   1.202
  855    HG   SER 113           HG       SER 113  19.527   0.174   0.734
  856    H    ARG 114           HN       ARG 114  15.909   2.153  -0.733
  857    HA   ARG 114           HA       ARG 114  14.254   0.617  -0.837
  858    HB2  ARG 114           HB2      ARG 114  16.168  -0.413  -2.897
  859    HB3  ARG 114           HB1      ARG 114  14.725  -1.343  -2.491
  860    HG2  ARG 114           HG2      ARG 114  13.288   0.346  -3.242
  861    HG3  ARG 114           HG1      ARG 114  14.571   1.556  -3.245
  862    HD2  ARG 114           HD2      ARG 114  14.498  -0.852  -5.054
  863    HD3  ARG 114           HD1      ARG 114  13.922   0.751  -5.510
  864    HE   ARG 114           HE       ARG 114  16.706  -0.039  -5.037
  865   HH11  ARG 114          HH11      ARG 114  14.380   2.392  -6.006
  866   HH12  ARG 114          HH12      ARG 114  15.579   3.462  -6.659
  867   HH21  ARG 114          HH21      ARG 114  18.285   1.374  -5.901
  868   HH22  ARG 114          HH22      ARG 114  17.792   2.876  -6.618
  869    H    THR 115           HN       THR 115  15.929   0.450   1.295
  870    HA   THR 115           HA       THR 115  15.883  -2.422   1.888
  871    HB   THR 115           HB       THR 115  17.927  -1.957   3.359
  872    HG1  THR 115           HG1      THR 115  17.618   0.443   2.845
  873   HG21  THR 115          HG21      THR 115  19.497  -2.282   1.494
  874   HG22  THR 115          HG22      THR 115  18.223  -1.837   0.357
  875   HG23  THR 115          HG23      THR 115  18.067  -3.300   1.329
  876    H    GLN 116           HN       GLN 116  15.955  -2.816   4.285
  877    HA   GLN 116           HA       GLN 116  14.681  -0.659   5.807
  878    HB2  GLN 116           HB2      GLN 116  13.066  -2.335   6.738
  879    HB3  GLN 116           HB1      GLN 116  12.831  -1.998   5.032
  880    HG2  GLN 116           HG2      GLN 116  13.904  -4.062   4.422
  881    HG3  GLN 116           HG1      GLN 116  14.312  -4.389   6.105
  882   HE21  GLN 116          HE21      GLN 116  12.715  -5.941   4.173
  883   HE22  GLN 116          HE22      GLN 116  11.179  -6.176   4.934
  884    H    ALA 117           HN       ALA 117  14.973  -0.803   8.079
  885    HA   ALA 117           HA       ALA 117  17.336  -2.308   8.857
  886    HB1  ALA 117           HB1      ALA 117  15.657  -0.369  10.449
  887    HB2  ALA 117           HB2      ALA 117  17.105   0.041   9.531
  888    HB3  ALA 117           HB3      ALA 117  17.220  -1.027  10.928
  889    H    ASP 118           HN       ASP 118  14.265  -3.113   8.537
  890    HA   ASP 118           HA       ASP 118  14.140  -4.727  10.989
  891    HB2  ASP 118           HB2      ASP 118  12.261  -3.015  10.337
  892    HB3  ASP 118           HB1      ASP 118  11.782  -4.260   9.184
  893    H    ALA 119           HN       ALA 119  12.944  -6.851  10.605
  894    HA   ALA 119           HA       ALA 119  14.203  -8.173   8.339
  895    HB1  ALA 119           HB1      ALA 119  13.527 -10.250   9.442
  896    HB2  ALA 119           HB2      ALA 119  12.645  -9.321  10.654
  897    HB3  ALA 119           HB3      ALA 119  14.400  -9.194  10.552
  898    H    LEU 120           HN       LEU 120  11.177  -6.884   9.229
  899    HA   LEU 120           HA       LEU 120   9.937  -7.541   6.789
  900    HB2  LEU 120           HB2      LEU 120   9.732  -9.754   7.895
  901    HB3  LEU 120           HB1      LEU 120   8.885  -8.996   9.224
  902    HG   LEU 120           HG       LEU 120   7.079  -8.342   7.641
  903   HD11  LEU 120          HD11      LEU 120   6.997  -9.493   5.464
  904   HD12  LEU 120          HD12      LEU 120   8.656 -10.036   5.721
  905   HD13  LEU 120          HD13      LEU 120   8.303  -8.315   5.575
  906   HD21  LEU 120          HD21      LEU 120   6.883 -10.334   9.024
  907   HD22  LEU 120          HD22      LEU 120   7.698 -11.284   7.781
  908   HD23  LEU 120          HD23      LEU 120   6.118 -10.573   7.455
  909    H    VAL 121           HN       VAL 121   8.559  -5.852   6.431
  910    HA   VAL 121           HA       VAL 121   7.485  -4.549   8.835
  911    HB   VAL 121           HB       VAL 121   9.110  -3.082   7.868
  912   HG11  VAL 121          HG11      VAL 121   9.014  -2.241   5.604
  913   HG12  VAL 121          HG12      VAL 121   7.591  -3.226   5.276
  914   HG13  VAL 121          HG13      VAL 121   9.142  -4.001   5.597
  915   HG21  VAL 121          HG21      VAL 121   6.324  -2.133   7.230
  916   HG22  VAL 121          HG22      VAL 121   7.741  -1.098   7.388
  917   HG23  VAL 121          HG23      VAL 121   7.150  -2.002   8.782
  918    H    LEU 122           HN       LEU 122   5.530  -5.385   8.996
  919    HA   LEU 122           HA       LEU 122   3.687  -5.133   6.714
  920    HB2  LEU 122           HB2      LEU 122   3.211  -6.647   9.282
  921    HB3  LEU 122           HB1      LEU 122   2.293  -6.759   7.797
  922    HG   LEU 122           HG       LEU 122   5.116  -7.757   8.212
  923   HD11  LEU 122          HD11      LEU 122   3.469  -9.124   9.357
  924   HD12  LEU 122          HD12      LEU 122   4.106  -9.974   7.950
  925   HD13  LEU 122          HD13      LEU 122   2.508  -9.232   7.882
  926   HD21  LEU 122          HD21      LEU 122   4.776  -6.989   5.921
  927   HD22  LEU 122          HD22      LEU 122   3.326  -7.985   5.798
  928   HD23  LEU 122          HD23      LEU 122   4.904  -8.746   5.996
  929    H    LEU 123           HN       LEU 123   2.713  -3.174   6.807
  930    HA   LEU 123           HA       LEU 123   2.192  -2.002   9.436
  931    HB2  LEU 123           HB2      LEU 123   1.981  -0.742   6.703
  932    HB3  LEU 123           HB1      LEU 123   1.788   0.091   8.233
  933    HG   LEU 123           HG       LEU 123   4.323  -1.154   7.179
  934   HD11  LEU 123          HD11      LEU 123   3.564   1.724   7.652
  935   HD12  LEU 123          HD12      LEU 123   3.706   0.938   6.081
  936   HD13  LEU 123          HD13      LEU 123   5.133   1.141   7.097
  937   HD21  LEU 123          HD21      LEU 123   5.395  -0.153   9.152
  938   HD22  LEU 123          HD22      LEU 123   4.237  -1.406   9.587
  939   HD23  LEU 123          HD23      LEU 123   3.806   0.294   9.772
  940    H    GLY 124           HN       GLY 124   0.319  -2.289  10.322
  941    HA2  GLY 124           HA2      GLY 124  -2.078  -2.465   8.615
  942    HA3  GLY 124           HA1      GLY 124  -1.937  -3.182  10.212
  943    H    GLY 125           HN       GLY 125  -4.093  -1.615   9.611
  944    HA2  GLY 125           HA2      GLY 125  -5.328  -0.049  10.768
  945    HA3  GLY 125           HA1      GLY 125  -3.912   0.267  11.761
  946    H    LEU 126           HN       LEU 126  -3.677   0.527   8.310
  947    HA   LEU 126           HA       LEU 126  -3.054   3.313   8.514
  948    HB2  LEU 126           HB2      LEU 126  -3.142   1.339   6.280
  949    HB3  LEU 126           HB1      LEU 126  -3.136   3.051   5.897
  950    HG   LEU 126           HG       LEU 126  -1.014   3.285   7.180
  951   HD11  LEU 126          HD11      LEU 126   0.250   1.313   7.778
  952   HD12  LEU 126          HD12      LEU 126  -1.067   0.272   7.241
  953   HD13  LEU 126          HD13      LEU 126  -1.288   1.326   8.639
  954   HD21  LEU 126          HD21      LEU 126  -1.016   3.039   4.758
  955   HD22  LEU 126          HD22      LEU 126  -0.988   1.284   4.923
  956   HD23  LEU 126          HD23      LEU 126   0.388   2.245   5.471
  957    H    ASP 127           HN       ASP 127  -4.121   5.049   7.705
  958    HA   ASP 127           HA       ASP 127  -6.996   4.685   7.132
  959    HB2  ASP 127           HB2      ASP 127  -5.647   7.104   8.382
  960    HB3  ASP 127           HB1      ASP 127  -7.380   6.881   8.145
  961    H    PHE 128           HN       PHE 128  -7.833   6.764   5.935
  962    HA   PHE 128           HA       PHE 128  -5.893   7.424   3.823
  963    HB2  PHE 128           HB2      PHE 128  -8.915   7.359   3.745
  964    HB3  PHE 128           HB1      PHE 128  -7.919   8.002   2.443
  965    HD1  PHE 128           HD1      PHE 128  -6.220   6.424   1.368
  966    HD2  PHE 128           HD2      PHE 128  -9.413   5.089   3.848
  967    HE1  PHE 128           HE1      PHE 128  -6.025   4.172   0.403
  968    HE2  PHE 128           HE2      PHE 128  -9.218   2.833   2.890
  969    HZ   PHE 128           HZ       PHE 128  -7.496   2.363   1.182
  970    H    GLU 129           HN       GLU 129  -6.279   8.692   6.472
  971    HA   GLU 129           HA       GLU 129  -7.374  11.304   5.841
  972    HB2  GLU 129           HB2      GLU 129  -6.122  10.261   8.388
  973    HB3  GLU 129           HB1      GLU 129  -6.908  11.820   8.203
  974    HG2  GLU 129           HG2      GLU 129  -9.023  10.688   7.705
  975    HG3  GLU 129           HG1      GLU 129  -8.229   9.130   7.934
  976    H    ALA 130           HN       ALA 130  -6.184  12.941   5.149
  977    HA   ALA 130           HA       ALA 130  -3.261  12.728   5.344
  978    HB1  ALA 130           HB1      ALA 130  -3.171  14.277   3.461
  979    HB2  ALA 130           HB2      ALA 130  -4.931  14.389   3.455
  980    HB3  ALA 130           HB3      ALA 130  -4.143  12.860   3.063
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -17.107 -20.195   4.973
    2    H2   GLY   1           HT2      GLY   1 -16.219 -21.603   5.265
    3    H3   GLY   1           HT3      GLY   1 -17.820 -21.490   5.792
    4    HA2  GLY   1           HA1      GLY   1 -17.661 -22.867   3.810
    5    HA3  GLY   1           HA2      GLY   1 -18.617 -21.418   3.528
    6    H    ALA   2           HN       ALA   2 -16.913 -23.207   1.756
    7    HA   ALA   2           HA       ALA   2 -14.596 -21.808   0.981
    8    HB1  ALA   2           HB1      ALA   2 -14.983 -24.158   0.410
    9    HB2  ALA   2           HB2      ALA   2 -14.648 -23.195  -1.029
   10    HB3  ALA   2           HB3      ALA   2 -16.302 -23.681  -0.658
   11    H    MET   3           HN       MET   3 -17.682 -22.066  -0.770
   12    HA   MET   3           HA       MET   3 -17.097 -19.495  -2.053
   13    HB2  MET   3           HB2      MET   3 -18.977 -20.112  -3.591
   14    HB3  MET   3           HB1      MET   3 -17.628 -21.238  -3.630
   15    HG2  MET   3           HG2      MET   3 -18.846 -22.807  -2.258
   16    HG3  MET   3           HG1      MET   3 -20.169 -21.660  -2.072
   17    HE1  MET   3           HE1      MET   3 -21.820 -20.972  -3.947
   18    HE2  MET   3           HE2      MET   3 -21.723 -21.520  -5.620
   19    HE3  MET   3           HE3      MET   3 -20.493 -20.432  -4.977
   20    H    GLY   4           HN       GLY   4 -17.759 -19.286   0.596
   21    HA2  GLY   4           HA2      GLY   4 -20.555 -18.335   0.521
   22    HA3  GLY   4           HA1      GLY   4 -19.781 -18.969   1.966
   23    H    MET   5           HN       MET   5 -17.869 -16.977  -0.078
   24    HA   MET   5           HA       MET   5 -18.310 -14.691   1.725
   25    HB2  MET   5           HB2      MET   5 -15.645 -15.685   0.692
   26    HB3  MET   5           HB1      MET   5 -15.885 -14.210   1.617
   27    HG2  MET   5           HG2      MET   5 -16.658 -15.517   3.523
   28    HG3  MET   5           HG1      MET   5 -16.450 -17.003   2.596
   29    HE1  MET   5           HE1      MET   5 -15.169 -16.554   5.471
   30    HE2  MET   5           HE2      MET   5 -13.555 -17.218   5.213
   31    HE3  MET   5           HE3      MET   5 -14.962 -18.026   4.523
   32    H    SER   6           HN       SER   6 -19.353 -13.302   0.435
   33    HA   SER   6           HA       SER   6 -18.030 -12.562  -2.081
   34    HB2  SER   6           HB2      SER   6 -20.127 -13.830  -2.522
   35    HB3  SER   6           HB1      SER   6 -21.024 -12.625  -1.600
   36    HG   SER   6           HG       SER   6 -20.969 -11.324  -3.246
   37    HA   PRO   7           HA       PRO   7 -18.528  -8.809   0.528
   38    HB2  PRO   7           HB2      PRO   7 -15.960  -8.094   0.712
   39    HB3  PRO   7           HB1      PRO   7 -16.639  -9.354   1.745
   40    HG2  PRO   7           HG2      PRO   7 -14.911  -9.611  -0.667
   41    HG3  PRO   7           HG1      PRO   7 -14.929 -10.584   0.813
   42    HD2  PRO   7           HD2      PRO   7 -16.134 -11.264  -1.620
   43    HD3  PRO   7           HD1      PRO   7 -16.473 -12.015  -0.049
   44    H    ASP   8           HN       ASP   8 -19.300  -7.198  -0.695
   45    HA   ASP   8           HA       ASP   8 -18.345  -6.692  -3.355
   46    HB2  ASP   8           HB2      ASP   8 -20.704  -6.336  -2.793
   47    HB3  ASP   8           HB1      ASP   8 -20.256  -5.107  -1.615
   48    H    THR   9           HN       THR   9 -17.923  -5.255  -0.197
   49    HA   THR   9           HA       THR   9 -16.616  -2.894  -0.981
   50    HB   THR   9           HB       THR   9 -16.349  -4.470   1.587
   51    HG1  THR   9           HG1      THR   9 -18.214  -2.601   0.613
   52   HG21  THR   9          HG21      THR   9 -14.529  -2.874   1.342
   53   HG22  THR   9          HG22      THR   9 -15.661  -2.325   2.580
   54   HG23  THR   9          HG23      THR   9 -15.679  -1.591   0.976
   55    H    ALA  10           HN       ALA  10 -15.310  -6.036   0.088
   56    HA   ALA  10           HA       ALA  10 -12.601  -5.282  -0.194
   57    HB1  ALA  10           HB1      ALA  10 -13.819  -8.035  -0.146
   58    HB2  ALA  10           HB2      ALA  10 -13.272  -7.114   1.254
   59    HB3  ALA  10           HB3      ALA  10 -12.107  -7.664   0.050
   60    H    ARG  11           HN       ARG  11 -14.909  -6.846  -2.345
   61    HA   ARG  11           HA       ARG  11 -13.032  -7.634  -4.309
   62    HB2  ARG  11           HB2      ARG  11 -15.302  -8.587  -4.117
   63    HB3  ARG  11           HB1      ARG  11 -15.975  -7.052  -4.647
   64    HG2  ARG  11           HG2      ARG  11 -14.873  -7.288  -6.798
   65    HG3  ARG  11           HG1      ARG  11 -14.137  -8.802  -6.267
   66    HD2  ARG  11           HD2      ARG  11 -17.083  -8.253  -6.566
   67    HD3  ARG  11           HD1      ARG  11 -16.093  -9.238  -7.638
   68    HE   ARG  11           HE       ARG  11 -15.707 -10.626  -5.518
   69   HH11  ARG  11          HH11      ARG  11 -18.663  -8.895  -6.218
   70   HH12  ARG  11          HH12      ARG  11 -19.672 -10.010  -5.358
   71   HH21  ARG  11          HH21      ARG  11 -17.023 -12.096  -4.378
   72   HH22  ARG  11          HH22      ARG  11 -18.742 -11.839  -4.309
   73    H    ARG  12           HN       ARG  12 -15.050  -4.748  -3.930
   74    HA   ARG  12           HA       ARG  12 -14.350  -3.568  -6.402
   75    HB2  ARG  12           HB2      ARG  12 -16.289  -2.950  -4.843
   76    HB3  ARG  12           HB1      ARG  12 -15.104  -2.031  -3.925
   77    HG2  ARG  12           HG2      ARG  12 -14.575  -0.748  -5.981
   78    HG3  ARG  12           HG1      ARG  12 -15.886  -1.600  -6.799
   79    HD2  ARG  12           HD2      ARG  12 -16.102   0.244  -4.427
   80    HD3  ARG  12           HD1      ARG  12 -16.701   0.528  -6.059
   81    HE   ARG  12           HE       ARG  12 -17.826  -1.822  -4.895
   82   HH11  ARG  12          HH11      ARG  12 -18.086   1.664  -5.035
   83   HH12  ARG  12          HH12      ARG  12 -19.746   1.688  -4.522
   84   HH21  ARG  12          HH21      ARG  12 -20.001  -1.799  -4.194
   85   HH22  ARG  12          HH22      ARG  12 -20.834  -0.276  -4.055
   86    H    PHE  13           HN       PHE  13 -12.954  -3.431  -3.173
   87    HA   PHE  13           HA       PHE  13 -11.100  -1.363  -3.707
   88    HB2  PHE  13           HB2      PHE  13 -11.746  -2.183  -1.411
   89    HB3  PHE  13           HB1      PHE  13 -10.778  -3.618  -1.711
   90    HD1  PHE  13           HD1      PHE  13 -10.659   0.016  -1.182
   91    HD2  PHE  13           HD2      PHE  13  -8.399  -3.565  -1.572
   92    HE1  PHE  13           HE1      PHE  13  -8.667   1.191  -0.348
   93    HE2  PHE  13           HE2      PHE  13  -6.402  -2.401  -0.736
   94    HZ   PHE  13           HZ       PHE  13  -6.532  -0.011  -0.138
   95    H    ASP  14           HN       ASP  14 -10.893  -4.881  -3.876
   96    HA   ASP  14           HA       ASP  14  -8.205  -5.131  -4.580
   97    HB2  ASP  14           HB2      ASP  14  -9.298  -7.098  -3.920
   98    HB3  ASP  14           HB1      ASP  14 -10.634  -6.839  -5.034
   99    H    THR  15           HN       THR  15 -11.021  -4.465  -6.582
  100    HA   THR  15           HA       THR  15  -9.471  -4.913  -8.992
  101    HB   THR  15           HB       THR  15 -11.740  -4.346 -10.085
  102    HG1  THR  15           HG1      THR  15 -12.676  -5.023  -7.478
  103   HG21  THR  15          HG21      THR  15 -10.768  -6.596  -9.950
  104   HG22  THR  15          HG22      THR  15 -12.518  -6.632  -9.738
  105   HG23  THR  15          HG23      THR  15 -11.456  -6.791  -8.339
  106    H    GLU  16           HN       GLU  16 -11.121  -2.201  -7.372
  107    HA   GLU  16           HA       GLU  16 -10.336  -0.476  -9.606
  108    HB2  GLU  16           HB2      GLU  16 -12.674  -0.382  -8.881
  109    HB3  GLU  16           HB1      GLU  16 -12.160   0.092  -7.268
  110    HG2  GLU  16           HG2      GLU  16 -12.940   2.003  -8.567
  111    HG3  GLU  16           HG1      GLU  16 -11.237   2.155  -8.136
  112    H    PHE  17           HN       PHE  17  -9.907  -0.727  -6.092
  113    HA   PHE  17           HA       PHE  17  -8.524   1.824  -6.051
  114    HB2  PHE  17           HB2      PHE  17  -9.259  -0.088  -3.832
  115    HB3  PHE  17           HB1      PHE  17  -8.402   1.425  -3.578
  116    HD1  PHE  17           HD2      PHE  17 -11.565   0.093  -5.060
  117    HD2  PHE  17           HD1      PHE  17  -9.600   3.351  -3.143
  118    HE1  PHE  17           HE2      PHE  17 -13.710   1.276  -4.879
  119    HE2  PHE  17           HE1      PHE  17 -11.747   4.538  -2.962
  120    HZ   PHE  17           HZ       PHE  17 -13.803   3.501  -3.830
  121    H    ALA  18           HN       ALA  18  -7.747  -1.537  -5.144
  122    HA   ALA  18           HA       ALA  18  -5.171  -1.032  -4.234
  123    HB1  ALA  18           HB1      ALA  18  -6.116  -3.598  -5.484
  124    HB2  ALA  18           HB2      ALA  18  -6.432  -3.109  -3.822
  125    HB3  ALA  18           HB3      ALA  18  -4.776  -3.392  -4.358
  126    HA   PRO  19           HA       PRO  19  -3.497  -2.051  -8.725
  127    HB2  PRO  19           HB2      PRO  19  -5.807  -1.046 -10.308
  128    HB3  PRO  19           HB1      PRO  19  -4.736  -2.421 -10.624
  129    HG2  PRO  19           HG2      PRO  19  -7.211  -2.831  -9.782
  130    HG3  PRO  19           HG1      PRO  19  -5.874  -3.808  -9.148
  131    HD2  PRO  19           HD2      PRO  19  -7.275  -1.475  -7.886
  132    HD3  PRO  19           HD1      PRO  19  -6.792  -3.021  -7.159
  133    H    ARG  20           HN       ARG  20  -5.727   0.572  -8.014
  134    HA   ARG  20           HA       ARG  20  -4.373   2.545  -9.565
  135    HB2  ARG  20           HB2      ARG  20  -6.792   2.624  -8.724
  136    HB3  ARG  20           HB1      ARG  20  -6.123   3.071  -7.162
  137    HG2  ARG  20           HG2      ARG  20  -6.745   5.081  -8.202
  138    HG3  ARG  20           HG1      ARG  20  -4.987   4.995  -8.338
  139    HD2  ARG  20           HD2      ARG  20  -5.965   5.735 -10.437
  140    HD3  ARG  20           HD1      ARG  20  -5.220   4.148 -10.630
  141    HE   ARG  20           HE       ARG  20  -7.986   3.933  -9.998
  142   HH11  ARG  20          HH11      ARG  20  -5.777   4.603 -12.627
  143   HH12  ARG  20          HH12      ARG  20  -6.888   4.102 -13.859
  144   HH21  ARG  20          HH21      ARG  20  -9.450   3.252 -11.605
  145   HH22  ARG  20          HH22      ARG  20  -8.981   3.334 -13.277
  146    H    ILE  21           HN       ILE  21  -4.337   1.530  -6.193
  147    HA   ILE  21           HA       ILE  21  -2.505   3.466  -5.245
  148    HB   ILE  21           HB       ILE  21  -2.990   0.678  -4.173
  149   HG12  ILE  21          HG12      ILE  21  -4.259   3.289  -3.317
  150   HG13  ILE  21          HG11      ILE  21  -5.051   2.095  -4.341
  151   HG21  ILE  21          HG21      ILE  21  -2.122   1.531  -2.068
  152   HG22  ILE  21          HG22      ILE  21  -1.865   3.116  -2.794
  153   HG23  ILE  21          HG23      ILE  21  -0.924   1.730  -3.347
  154   HD11  ILE  21          HD11      ILE  21  -4.186   1.734  -1.479
  155   HD12  ILE  21          HD12      ILE  21  -4.853   0.457  -2.497
  156   HD13  ILE  21          HD13      ILE  21  -5.836   1.860  -2.088
  157    H    ALA  22           HN       ALA  22  -2.105   0.135  -6.384
  158    HA   ALA  22           HA       ALA  22   0.631  -0.118  -5.872
  159    HB1  ALA  22           HB1      ALA  22   0.575  -2.025  -7.356
  160    HB2  ALA  22           HB2      ALA  22  -0.949  -1.475  -8.049
  161    HB3  ALA  22           HB3      ALA  22  -0.886  -1.999  -6.367
  162    H    ARG  23           HN       ARG  23  -1.066   0.995  -8.768
  163    HA   ARG  23           HA       ARG  23   1.287   1.304 -10.330
  164    HB2  ARG  23           HB2      ARG  23  -1.079   1.064 -11.205
  165    HB3  ARG  23           HB1      ARG  23  -1.344   2.733 -10.724
  166    HG2  ARG  23           HG2      ARG  23   0.463   3.438 -12.227
  167    HG3  ARG  23           HG1      ARG  23   0.675   1.761 -12.733
  168    HD2  ARG  23           HD2      ARG  23  -0.666   2.781 -14.389
  169    HD3  ARG  23           HD1      ARG  23  -1.756   1.792 -13.418
  170    HE   ARG  23           HE       ARG  23  -1.674   4.437 -12.413
  171   HH11  ARG  23          HH11      ARG  23  -2.995   2.522 -15.034
  172   HH12  ARG  23          HH12      ARG  23  -4.274   3.644 -15.377
  173   HH21  ARG  23          HH21      ARG  23  -3.336   5.923 -12.873
  174   HH22  ARG  23          HH22      ARG  23  -4.454   5.592 -14.161
  175    H    ALA  24           HN       ALA  24  -0.536   3.400  -8.184
  176    HA   ALA  24           HA       ALA  24   0.748   5.829  -8.865
  177    HB1  ALA  24           HB1      ALA  24  -0.535   5.076  -6.242
  178    HB2  ALA  24           HB2      ALA  24  -1.393   5.710  -7.645
  179    HB3  ALA  24           HB3      ALA  24  -0.197   6.708  -6.817
  180    H    ILE  25           HN       ILE  25   1.318   3.449  -6.311
  181    HA   ILE  25           HA       ILE  25   3.541   4.687  -5.129
  182    HB   ILE  25           HB       ILE  25   2.857   1.744  -5.286
  183   HG12  ILE  25          HG12      ILE  25   2.349   3.797  -3.114
  184   HG13  ILE  25          HG11      ILE  25   1.131   3.134  -4.199
  185   HG21  ILE  25          HG21      ILE  25   4.809   3.187  -3.493
  186   HG22  ILE  25          HG22      ILE  25   5.203   2.023  -4.758
  187   HG23  ILE  25          HG23      ILE  25   4.323   1.501  -3.321
  188   HD11  ILE  25          HD11      ILE  25   1.059   2.101  -1.991
  189   HD12  ILE  25          HD12      ILE  25   2.724   1.555  -2.194
  190   HD13  ILE  25          HD13      ILE  25   1.456   0.929  -3.247
  191    H    ALA  26           HN       ALA  26   3.324   2.252  -7.702
  192    HA   ALA  26           HA       ALA  26   6.062   1.862  -8.110
  193    HB1  ALA  26           HB1      ALA  26   5.430   1.030 -10.332
  194    HB2  ALA  26           HB2      ALA  26   3.813   1.701 -10.115
  195    HB3  ALA  26           HB3      ALA  26   4.374   0.396  -9.070
  196    H    ASP  27           HN       ASP  27   3.839   4.249  -9.391
  197    HA   ASP  27           HA       ASP  27   5.643   5.462 -11.214
  198    HB2  ASP  27           HB2      ASP  27   3.232   5.723 -11.454
  199    HB3  ASP  27           HB1      ASP  27   3.133   6.510  -9.886
  200    H    LEU  28           HN       LEU  28   4.751   6.088  -7.872
  201    HA   LEU  28           HA       LEU  28   6.110   8.560  -7.627
  202    HB2  LEU  28           HB2      LEU  28   4.279   7.862  -6.135
  203    HB3  LEU  28           HB1      LEU  28   5.280   6.568  -5.511
  204    HG   LEU  28           HG       LEU  28   6.848   8.272  -4.601
  205   HD11  LEU  28          HD11      LEU  28   6.032  10.596  -4.420
  206   HD12  LEU  28          HD12      LEU  28   4.717  10.193  -5.523
  207   HD13  LEU  28          HD13      LEU  28   6.389  10.119  -6.078
  208   HD21  LEU  28          HD21      LEU  28   3.980   8.504  -3.694
  209   HD22  LEU  28          HD22      LEU  28   5.400   8.940  -2.745
  210   HD23  LEU  28          HD23      LEU  28   5.125   7.258  -3.199
  211    H    LEU  29           HN       LEU  29   6.999   5.215  -7.019
  212    HA   LEU  29           HA       LEU  29   9.608   5.968  -5.999
  213    HB2  LEU  29           HB2      LEU  29   8.481   3.238  -6.642
  214    HB3  LEU  29           HB1      LEU  29   9.982   3.550  -5.790
  215    HG   LEU  29           HG       LEU  29   7.211   4.223  -4.811
  216   HD11  LEU  29          HD11      LEU  29   7.636   2.512  -3.127
  217   HD12  LEU  29          HD12      LEU  29   9.198   2.164  -3.867
  218   HD13  LEU  29          HD13      LEU  29   7.711   1.837  -4.755
  219   HD21  LEU  29          HD21      LEU  29   8.723   5.890  -3.995
  220   HD22  LEU  29          HD22      LEU  29   9.913   4.666  -3.556
  221   HD23  LEU  29          HD23      LEU  29   8.387   4.764  -2.679
  222    H    ASN  30           HN       ASN  30   8.442   6.132  -8.947
  223    HA   ASN  30           HA       ASN  30   9.267   6.112 -11.057
  224    HB2  ASN  30           HB2      ASN  30  11.905   6.244  -9.574
  225    HB3  ASN  30           HB1      ASN  30  11.729   6.487 -11.306
  226   HD21  ASN  30          HD21      ASN  30  11.259   7.859  -8.163
  227   HD22  ASN  30          HD22      ASN  30  10.813   9.441  -8.696
  228    H    HIS  31           HN       HIS  31   8.667   3.597  -9.913
  229    HA   HIS  31           HA       HIS  31   8.829   1.378 -10.305
  230    HB2  HIS  31           HB2      HIS  31  10.174   2.383 -12.809
  231    HB3  HIS  31           HB1      HIS  31   9.782   0.689 -12.540
  232    HD1  HIS  31           HD1      HIS  31   7.166   0.150 -12.266
  233    HD2  HIS  31           HD2      HIS  31   8.118   3.912 -13.759
  234    HE1  HIS  31           HE1      HIS  31   5.048   1.027 -13.297
  235    HE2  HIS  31           HE2      HIS  31   5.684   3.243 -14.312
  236    H    ARG  32           HN       ARG  32  11.096   2.730  -8.856
  237    HA   ARG  32           HA       ARG  32  13.364   1.038  -9.361
  238    HB2  ARG  32           HB2      ARG  32  12.627   2.884  -7.091
  239    HB3  ARG  32           HB1      ARG  32  14.083   1.900  -7.057
  240    HG2  ARG  32           HG2      ARG  32  13.486   3.825  -9.277
  241    HG3  ARG  32           HG1      ARG  32  14.349   4.290  -7.811
  242    HD2  ARG  32           HD2      ARG  32  15.996   2.487  -8.291
  243    HD3  ARG  32           HD1      ARG  32  15.170   2.198  -9.822
  244    HE   ARG  32           HE       ARG  32  15.700   4.661 -10.244
  245   HH11  ARG  32          HH11      ARG  32  17.768   2.502  -8.412
  246   HH12  ARG  32          HH12      ARG  32  19.211   3.400  -8.752
  247   HH21  ARG  32          HH21      ARG  32  17.585   5.839 -10.682
  248   HH22  ARG  32          HH22      ARG  32  19.108   5.300 -10.050
  249    H    ALA  33           HN       ALA  33  10.431   0.807  -7.660
  250    HA   ALA  33           HA       ALA  33  11.235  -1.806  -6.595
  251    HB1  ALA  33           HB1      ALA  33   9.730  -1.449  -4.694
  252    HB2  ALA  33           HB2      ALA  33   9.366   0.171  -5.286
  253    HB3  ALA  33           HB3      ALA  33  10.997  -0.223  -4.745
  254    H    HIS  34           HN       HIS  34   9.536  -3.375  -6.549
  255    HA   HIS  34           HA       HIS  34   7.487  -2.852  -8.596
  256    HB2  HIS  34           HB2      HIS  34   8.982  -4.629  -9.280
  257    HB3  HIS  34           HB1      HIS  34   8.829  -5.427  -7.717
  258    HD1  HIS  34           HD1      HIS  34   6.991  -4.893 -10.948
  259    HD2  HIS  34           HD2      HIS  34   6.573  -7.026  -7.406
  260    HE1  HIS  34           HE1      HIS  34   5.084  -6.481 -11.336
  261    HE2  HIS  34           HE2      HIS  34   4.709  -7.595  -9.100
  262    H    THR  35           HN       THR  35   5.383  -3.056  -8.080
  263    HA   THR  35           HA       THR  35   4.788  -3.890  -5.322
  264    HB   THR  35           HB       THR  35   2.712  -2.508  -5.575
  265    HG1  THR  35           HG1      THR  35   3.169  -0.827  -7.387
  266   HG21  THR  35          HG21      THR  35   4.751  -1.674  -4.448
  267   HG22  THR  35          HG22      THR  35   3.831  -0.383  -5.224
  268   HG23  THR  35          HG23      THR  35   5.299  -1.001  -5.983
  269    H    ASP  36           HN       ASP  36   2.944  -5.182  -4.947
  270    HA   ASP  36           HA       ASP  36   1.733  -6.403  -7.330
  271    HB2  ASP  36           HB2      ASP  36   2.840  -7.881  -4.932
  272    HB3  ASP  36           HB1      ASP  36   1.726  -8.611  -6.080
  273    H    VAL  37           HN       VAL  37  -0.402  -6.567  -7.233
  274    HA   VAL  37           HA       VAL  37  -1.761  -5.727  -4.816
  275    HB   VAL  37           HB       VAL  37  -2.883  -6.527  -7.509
  276   HG11  VAL  37          HG11      VAL  37  -4.511  -6.915  -5.748
  277   HG12  VAL  37          HG12      VAL  37  -4.977  -5.510  -6.707
  278   HG13  VAL  37          HG13      VAL  37  -4.245  -5.289  -5.119
  279   HG21  VAL  37          HG21      VAL  37  -2.471  -3.808  -6.264
  280   HG22  VAL  37          HG22      VAL  37  -3.285  -4.122  -7.797
  281   HG23  VAL  37          HG23      VAL  37  -1.567  -4.482  -7.621
  282    H    VAL  38           HN       VAL  38  -1.678  -7.270  -3.316
  283    HA   VAL  38           HA       VAL  38  -2.114 -10.042  -3.826
  284    HB   VAL  38           HB       VAL  38  -2.355  -8.532  -1.214
  285   HG11  VAL  38          HG11      VAL  38  -1.914 -10.735  -0.196
  286   HG12  VAL  38          HG12      VAL  38  -2.043 -11.468  -1.793
  287   HG13  VAL  38          HG13      VAL  38  -3.441 -10.670  -1.074
  288   HG21  VAL  38          HG21      VAL  38  -0.146  -8.239  -2.191
  289   HG22  VAL  38          HG22      VAL  38   0.005  -9.983  -2.406
  290   HG23  VAL  38          HG23      VAL  38  -0.064  -9.298  -0.784
  291    H    GLY  39           HN       GLY  39  -3.995 -10.830  -4.470
  292    HA2  GLY  39           HA2      GLY  39  -6.392  -9.274  -4.307
  293    HA3  GLY  39           HA1      GLY  39  -6.228 -10.870  -5.021
  294    H    TYR  40           HN       TYR  40  -8.477 -10.419  -3.719
  295    HA   TYR  40           HA       TYR  40  -8.226 -11.170  -0.928
  296    HB2  TYR  40           HB2      TYR  40  -9.909  -9.490  -1.592
  297    HB3  TYR  40           HB1      TYR  40 -10.699 -10.692  -2.614
  298    HD1  TYR  40           HD1      TYR  40  -9.776  -9.990   0.934
  299    HD2  TYR  40           HD2      TYR  40 -12.366 -12.073  -1.730
  300    HE1  TYR  40           HE1      TYR  40 -11.168 -10.688   2.837
  301    HE2  TYR  40           HE2      TYR  40 -13.760 -12.771   0.168
  302    HH   TYR  40           HH       TYR  40 -13.434 -11.423   3.295
  303    H    GLY  41           HN       GLY  41  -7.931 -13.220  -0.429
  304    HA2  GLY  41           HA2      GLY  41  -8.983 -15.319  -2.176
  305    HA3  GLY  41           HA1      GLY  41  -7.861 -15.545  -0.835
  306    H    GLY  42           HN       GLY  42  -9.482 -13.916   0.980
  307    HA2  GLY  42           HA2      GLY  42 -11.612 -13.945   2.019
  308    HA3  GLY  42           HA1      GLY  42 -11.982 -15.434   1.159
  309    H    HIS  43           HN       HIS  43  -9.603 -16.841   1.830
  310    HA   HIS  43           HA       HIS  43 -10.337 -17.457   4.612
  311    HB2  HIS  43           HB2      HIS  43  -8.991 -19.293   2.609
  312    HB3  HIS  43           HB1      HIS  43  -9.645 -19.737   4.182
  313    HD1  HIS  43           HD1      HIS  43 -12.041 -20.465   4.250
  314    HD2  HIS  43           HD2      HIS  43 -11.053 -18.587   0.670
  315    HE1  HIS  43           HE1      HIS  43 -14.044 -20.752   2.756
  316    HE2  HIS  43           HE2      HIS  43 -13.361 -19.742   0.550
  317    H    GLY  44           HN       GLY  44  -8.856 -15.660   5.176
  318    HA2  GLY  44           HA2      GLY  44  -6.893 -15.200   6.338
  319    HA3  GLY  44           HA1      GLY  44  -6.240 -16.736   5.793
  320    H    HIS  45           HN       HIS  45  -7.619 -14.607   3.473
  321    HA   HIS  45           HA       HIS  45  -4.958 -13.668   2.661
  322    HB2  HIS  45           HB2      HIS  45  -6.962 -15.135   0.960
  323    HB3  HIS  45           HB1      HIS  45  -5.802 -14.028   0.238
  324    HD1  HIS  45           HD1      HIS  45  -3.499 -14.896  -0.184
  325    HD2  HIS  45           HD2      HIS  45  -5.724 -17.418   2.265
  326    HE1  HIS  45           HE1      HIS  45  -2.118 -16.979   0.080
  327    HE2  HIS  45           HE2      HIS  45  -3.576 -18.559   1.387
  328    HA   PRO  46           HA       PRO  46  -7.868 -10.155   2.577
  329    HB2  PRO  46           HB2      PRO  46  -6.333  -8.426   3.944
  330    HB3  PRO  46           HB1      PRO  46  -7.256  -9.693   4.774
  331    HG2  PRO  46           HG2      PRO  46  -4.342  -9.584   4.118
  332    HG3  PRO  46           HG1      PRO  46  -5.142 -10.213   5.567
  333    HD2  PRO  46           HD2      PRO  46  -4.226 -11.748   3.439
  334    HD3  PRO  46           HD1      PRO  46  -5.422 -12.270   4.640
  335    H    THR  47           HN       THR  47  -7.796  -8.263   1.350
  336    HA   THR  47           HA       THR  47  -5.881  -8.208  -0.764
  337    HB   THR  47           HB       THR  47  -7.955  -6.110  -0.097
  338    HG1  THR  47           HG1      THR  47  -8.332  -8.284  -1.878
  339   HG21  THR  47          HG21      THR  47  -6.668  -6.916  -2.716
  340   HG22  THR  47          HG22      THR  47  -6.320  -5.445  -1.806
  341   HG23  THR  47          HG23      THR  47  -7.915  -5.686  -2.520
  342    H    GLN  48           HN       GLN  48  -4.120  -6.968  -0.984
  343    HA   GLN  48           HA       GLN  48  -3.680  -4.546   0.450
  344    HB2  GLN  48           HB2      GLN  48  -1.675  -5.354   1.715
  345    HB3  GLN  48           HB1      GLN  48  -3.205  -5.959   2.325
  346    HG2  GLN  48           HG2      GLN  48  -2.817  -8.098   1.244
  347    HG3  GLN  48           HG1      GLN  48  -1.302  -7.494   0.569
  348   HE21  GLN  48          HE21      GLN  48  -1.851  -9.737   2.439
  349   HE22  GLN  48          HE22      GLN  48  -0.863  -9.423   3.820
  350    H    VAL  49           HN       VAL  49  -1.560  -3.602  -0.070
  351    HA   VAL  49           HA       VAL  49  -0.514  -4.750  -2.566
  352    HB   VAL  49           HB       VAL  49  -1.591  -2.621  -2.999
  353   HG11  VAL  49          HG11      VAL  49  -0.747  -0.528  -2.028
  354   HG12  VAL  49          HG12      VAL  49   0.312  -1.460  -0.969
  355   HG13  VAL  49          HG13      VAL  49  -1.439  -1.597  -0.807
  356   HG21  VAL  49          HG21      VAL  49   1.415  -2.411  -3.112
  357   HG22  VAL  49          HG22      VAL  49   0.282  -1.431  -4.041
  358   HG23  VAL  49          HG23      VAL  49   0.373  -3.171  -4.315
  359    H    ARG  50           HN       ARG  50   1.399  -5.588  -2.401
  360    HA   ARG  50           HA       ARG  50   3.153  -4.757  -0.223
  361    HB2  ARG  50           HB2      ARG  50   4.405  -6.769  -0.610
  362    HB3  ARG  50           HB1      ARG  50   2.698  -7.184  -0.582
  363    HG2  ARG  50           HG2      ARG  50   2.651  -7.347  -2.983
  364    HG3  ARG  50           HG1      ARG  50   4.321  -6.787  -3.086
  365    HD2  ARG  50           HD2      ARG  50   4.945  -8.786  -1.680
  366    HD3  ARG  50           HD1      ARG  50   3.299  -9.369  -1.930
  367    HE   ARG  50           HE       ARG  50   4.512  -8.752  -4.418
  368   HH11  ARG  50          HH11      ARG  50   4.537 -11.137  -1.858
  369   HH12  ARG  50          HH12      ARG  50   5.113 -12.414  -2.880
  370   HH21  ARG  50          HH21      ARG  50   5.258 -10.414  -5.767
  371   HH22  ARG  50          HH22      ARG  50   5.523 -12.004  -5.117
  372    H    ILE  51           HN       ILE  51   5.121  -3.867  -0.488
  373    HA   ILE  51           HA       ILE  51   5.917  -3.167  -3.231
  374    HB   ILE  51           HB       ILE  51   6.868  -1.850  -0.678
  375   HG12  ILE  51          HG12      ILE  51   4.722  -0.906  -2.594
  376   HG13  ILE  51          HG11      ILE  51   4.435  -1.513  -0.967
  377   HG21  ILE  51          HG21      ILE  51   8.357  -1.660  -2.624
  378   HG22  ILE  51          HG22      ILE  51   7.670  -0.099  -2.166
  379   HG23  ILE  51          HG23      ILE  51   7.029  -0.969  -3.561
  380   HD11  ILE  51          HD11      ILE  51   5.917   0.991  -1.728
  381   HD12  ILE  51          HD12      ILE  51   5.783   0.364  -0.087
  382   HD13  ILE  51          HD13      ILE  51   4.337   0.880  -0.954
  383    H    VAL  52           HN       VAL  52   7.414  -4.499  -3.961
  384    HA   VAL  52           HA       VAL  52   9.438  -5.536  -2.097
  385    HB   VAL  52           HB       VAL  52   8.529  -6.737  -4.727
  386   HG11  VAL  52          HG11      VAL  52   9.911  -8.648  -4.132
  387   HG12  VAL  52          HG12      VAL  52  10.421  -7.840  -2.653
  388   HG13  VAL  52          HG13      VAL  52  10.888  -7.184  -4.221
  389   HG21  VAL  52          HG21      VAL  52   6.829  -6.937  -2.978
  390   HG22  VAL  52          HG22      VAL  52   8.019  -7.674  -1.905
  391   HG23  VAL  52          HG23      VAL  52   7.527  -8.503  -3.382
  392    H    ALA  53           HN       ALA  53  11.450  -4.872  -2.408
  393    HA   ALA  53           HA       ALA  53  12.031  -3.413  -4.894
  394    HB1  ALA  53           HB1      ALA  53  13.383  -3.073  -2.228
  395    HB2  ALA  53           HB2      ALA  53  12.029  -2.090  -2.789
  396    HB3  ALA  53           HB3      ALA  53  13.562  -2.061  -3.661
  397    HA   PRO  54           HA       PRO  54  14.804  -6.937  -5.569
  398    HB2  PRO  54           HB2      PRO  54  15.370  -5.347  -8.011
  399    HB3  PRO  54           HB1      PRO  54  14.902  -7.047  -7.858
  400    HG2  PRO  54           HG2      PRO  54  13.176  -5.215  -8.751
  401    HG3  PRO  54           HG1      PRO  54  12.646  -6.549  -7.707
  402    HD2  PRO  54           HD2      PRO  54  13.145  -3.678  -7.015
  403    HD3  PRO  54           HD1      PRO  54  11.862  -4.771  -6.449
  404    H    HIS  55           HN       HIS  55  16.991  -7.130  -5.286
  405    HA   HIS  55           HA       HIS  55  18.449  -4.602  -4.919
  406    HB2  HIS  55           HB2      HIS  55  19.777  -5.679  -3.181
  407    HB3  HIS  55           HB1      HIS  55  18.069  -5.802  -2.791
  408    HD1  HIS  55           HD1      HIS  55  21.074  -7.859  -3.599
  409    HD2  HIS  55           HD2      HIS  55  17.014  -8.416  -2.882
  410    HE1  HIS  55           HE1      HIS  55  20.784 -10.322  -3.194
  411    HE2  HIS  55           HE2      HIS  55  18.298 -10.655  -2.984
  412    H    ALA  56           HN       ALA  56  20.163  -4.287  -6.171
  413    HA   ALA  56           HA       ALA  56  21.262  -6.467  -7.724
  414    HB1  ALA  56           HB1      ALA  56  22.103  -3.575  -7.535
  415    HB2  ALA  56           HB2      ALA  56  21.038  -4.265  -8.757
  416    HB3  ALA  56           HB3      ALA  56  22.730  -4.757  -8.682
  417    H    GLU  57           HN       GLU  57  23.335  -7.309  -7.444
  418    HA   GLU  57           HA       GLU  57  25.090  -8.123  -6.280
  419    HB2  GLU  57           HB2      GLU  57  24.846  -5.484  -4.846
  420    HB3  GLU  57           HB1      GLU  57  26.039  -6.685  -4.378
  421    HG2  GLU  57           HG2      GLU  57  27.156  -5.159  -5.771
  422    HG3  GLU  57           HG1      GLU  57  26.887  -6.594  -6.752
  423    H    HIS  58           HN       HIS  58  25.419  -9.479  -4.542
  424    HA   HIS  58           HA       HIS  58  22.928 -10.217  -3.270
  425    HB2  HIS  58           HB2      HIS  58  25.643 -11.549  -3.260
  426    HB3  HIS  58           HB1      HIS  58  24.223 -12.195  -2.447
  427    HD1  HIS  58           HD1      HIS  58  22.486 -13.392  -3.871
  428    HD2  HIS  58           HD2      HIS  58  25.539 -11.660  -6.101
  429    HE1  HIS  58           HE1      HIS  58  22.222 -14.300  -6.200
  430    HE2  HIS  58           HE2      HIS  58  24.195 -13.388  -7.473
  431    H    VAL  59           HN       VAL  59  25.915  -8.714  -2.342
  432    HA   VAL  59           HA       VAL  59  24.977  -8.741   0.444
  433    HB   VAL  59           HB       VAL  59  27.348  -8.348   1.123
  434   HG11  VAL  59          HG11      VAL  59  26.303 -10.556   1.242
  435   HG12  VAL  59          HG12      VAL  59  28.022 -10.677   0.870
  436   HG13  VAL  59          HG13      VAL  59  26.826 -10.894  -0.407
  437   HG21  VAL  59          HG21      VAL  59  28.159  -7.497  -1.057
  438   HG22  VAL  59          HG22      VAL  59  27.997  -9.123  -1.720
  439   HG23  VAL  59          HG23      VAL  59  29.146  -8.812  -0.422
  440    H    ARG  60           HN       ARG  60  24.627  -6.876   1.429
  441    HA   ARG  60           HA       ARG  60  25.717  -4.398   0.324
  442    HB2  ARG  60           HB2      ARG  60  22.784  -4.829   0.970
  443    HB3  ARG  60           HB1      ARG  60  23.508  -3.277   0.584
  444    HG2  ARG  60           HG2      ARG  60  24.139  -4.259  -1.654
  445    HG3  ARG  60           HG1      ARG  60  23.126  -5.641  -1.232
  446    HD2  ARG  60           HD2      ARG  60  21.888  -4.031  -2.594
  447    HD3  ARG  60           HD1      ARG  60  21.196  -4.153  -0.976
  448    HE   ARG  60           HE       ARG  60  23.132  -2.043  -1.255
  449   HH11  ARG  60          HH11      ARG  60  19.745  -2.863  -1.677
  450   HH12  ARG  60          HH12      ARG  60  19.204  -1.224  -1.506
  451   HH21  ARG  60          HH21      ARG  60  22.410   0.106  -1.055
  452   HH22  ARG  60          HH22      ARG  60  20.713   0.459  -1.143
  453    H    GLY  61           HN       GLY  61  24.665  -2.575   2.029
  454    HA2  GLY  61           HA2      GLY  61  25.856  -3.148   4.543
  455    HA3  GLY  61           HA1      GLY  61  24.801  -1.781   4.197
  456    H    TYR  62           HN       TYR  62  22.490  -3.015   3.471
  457    HA   TYR  62           HA       TYR  62  21.677  -4.383   5.941
  458    HB2  TYR  62           HB2      TYR  62  20.066  -2.946   3.816
  459    HB3  TYR  62           HB1      TYR  62  19.342  -3.861   5.130
  460    HD1  TYR  62           HD1      TYR  62  21.345  -0.884   4.306
  461    HD2  TYR  62           HD2      TYR  62  19.195  -2.940   7.346
  462    HE1  TYR  62           HE1      TYR  62  21.470   1.112   5.735
  463    HE2  TYR  62           HE2      TYR  62  19.313  -0.947   8.783
  464    HH   TYR  62           HH       TYR  62  20.624   1.050   9.056
  465    H    ALA  63           HN       ALA  63  20.932  -6.440   5.900
  466    HA   ALA  63           HA       ALA  63  21.318  -7.897   3.415
  467    HB1  ALA  63           HB1      ALA  63  21.201  -9.898   4.789
  468    HB2  ALA  63           HB2      ALA  63  20.752  -8.924   6.189
  469    HB3  ALA  63           HB3      ALA  63  22.347  -8.740   5.461
  470    H    HIS  64           HN       HIS  64  18.754  -6.446   4.992
  471    HA   HIS  64           HA       HIS  64  16.817  -8.341   3.853
  472    HB2  HIS  64           HB2      HIS  64  16.485  -6.255   6.015
  473    HB3  HIS  64           HB1      HIS  64  15.138  -7.124   5.286
  474    HD1  HIS  64           HD1      HIS  64  14.869  -9.630   5.887
  475    HD2  HIS  64           HD2      HIS  64  18.020  -7.735   7.829
  476    HE1  HIS  64           HE1      HIS  64  15.575 -11.197   7.722
  477    HE2  HIS  64           HE2      HIS  64  17.529 -10.066   8.838
  478    HA   PRO  65           HA       PRO  65  16.184  -5.086   0.785
  479    HB2  PRO  65           HB2      PRO  65  14.516  -7.125  -0.489
  480    HB3  PRO  65           HB1      PRO  65  15.963  -6.330  -1.108
  481    HG2  PRO  65           HG2      PRO  65  15.932  -8.935  -0.397
  482    HG3  PRO  65           HG1      PRO  65  17.374  -7.917  -0.229
  483    HD2  PRO  65           HD2      PRO  65  15.402  -8.773   1.856
  484    HD3  PRO  65           HD1      PRO  65  17.173  -8.653   1.955
  485    H    LEU  66           HN       LEU  66  14.345  -3.856   0.273
  486    HA   LEU  66           HA       LEU  66  12.430  -3.649   2.288
  487    HB2  LEU  66           HB2      LEU  66  13.016  -1.761   0.931
  488    HB3  LEU  66           HB1      LEU  66  12.457  -2.567  -0.520
  489    HG   LEU  66           HG       LEU  66  10.137  -2.510   0.426
  490   HD11  LEU  66          HD11      LEU  66  10.729  -2.271   2.782
  491   HD12  LEU  66          HD12      LEU  66   9.673  -0.965   2.249
  492   HD13  LEU  66          HD13      LEU  66  11.399  -0.672   2.455
  493   HD21  LEU  66          HD21      LEU  66   9.779  -0.164  -0.107
  494   HD22  LEU  66          HD22      LEU  66  10.915  -0.900  -1.237
  495   HD23  LEU  66          HD23      LEU  66  11.507   0.148   0.052
  496    H    ASN  67           HN       ASN  67  10.874  -5.044   2.750
  497    HA   ASN  67           HA       ASN  67   9.031  -5.756   0.571
  498    HB2  ASN  67           HB2      ASN  67  10.393  -7.769   1.278
  499    HB3  ASN  67           HB1      ASN  67   9.667  -7.617   2.878
  500   HD21  ASN  67          HD21      ASN  67   7.366  -7.873   3.054
  501   HD22  ASN  67          HD22      ASN  67   6.510  -8.839   1.904
  502    H    LEU  68           HN       LEU  68   7.457  -4.348   1.038
  503    HA   LEU  68           HA       LEU  68   6.573  -4.123   3.840
  504    HB2  LEU  68           HB2      LEU  68   7.439  -2.024   3.078
  505    HB3  LEU  68           HB1      LEU  68   6.548  -2.132   1.573
  506    HG   LEU  68           HG       LEU  68   4.431  -1.896   2.873
  507   HD11  LEU  68          HD11      LEU  68   6.311  -1.313   5.150
  508   HD12  LEU  68          HD12      LEU  68   5.198  -2.677   5.032
  509   HD13  LEU  68          HD13      LEU  68   4.572  -1.036   5.157
  510   HD21  LEU  68          HD21      LEU  68   6.468   0.307   3.108
  511   HD22  LEU  68          HD22      LEU  68   4.730   0.513   3.321
  512   HD23  LEU  68          HD23      LEU  68   5.373   0.012   1.758
  513    H    ALA  69           HN       ALA  69   4.534  -4.637   4.322
  514    HA   ALA  69           HA       ALA  69   2.645  -5.018   2.089
  515    HB1  ALA  69           HB1      ALA  69   2.581  -6.334   4.800
  516    HB2  ALA  69           HB2      ALA  69   3.198  -7.079   3.325
  517    HB3  ALA  69           HB3      ALA  69   1.490  -6.650   3.450
  518    H    LEU  70           HN       LEU  70   1.288  -3.385   1.943
  519    HA   LEU  70           HA       LEU  70   0.606  -1.814   4.310
  520    HB2  LEU  70           HB2      LEU  70   0.121  -1.370   1.362
  521    HB3  LEU  70           HB1      LEU  70  -0.442  -0.281   2.613
  522    HG   LEU  70           HG       LEU  70   2.476  -0.929   2.180
  523   HD11  LEU  70          HD11      LEU  70   1.556   0.103   0.174
  524   HD12  LEU  70          HD12      LEU  70   2.634   1.206   1.029
  525   HD13  LEU  70          HD13      LEU  70   0.886   1.410   1.149
  526   HD21  LEU  70          HD21      LEU  70   1.038   1.231   3.714
  527   HD22  LEU  70          HD22      LEU  70   2.778   1.177   3.445
  528   HD23  LEU  70          HD23      LEU  70   1.995  -0.089   4.390
  529    H    THR  71           HN       THR  71  -1.203  -2.276   5.406
  530    HA   THR  71           HA       THR  71  -3.535  -3.181   3.857
  531    HB   THR  71           HB       THR  71  -4.290  -4.291   6.044
  532    HG1  THR  71           HG1      THR  71  -1.727  -3.480   6.712
  533   HG21  THR  71          HG21      THR  71  -2.950  -6.344   5.612
  534   HG22  THR  71          HG22      THR  71  -1.961  -5.409   4.491
  535   HG23  THR  71          HG23      THR  71  -3.678  -5.647   4.167
  536    H    TRP  72           HN       TRP  72  -5.555  -2.386   4.568
  537    HA   TRP  72           HA       TRP  72  -5.390  -0.096   6.402
  538    HB2  TRP  72           HB2      TRP  72  -6.815  -0.245   3.737
  539    HB3  TRP  72           HB1      TRP  72  -7.110   1.023   4.926
  540    HD1  TRP  72           HD1      TRP  72  -5.212   2.873   5.246
  541    HE1  TRP  72           HE1      TRP  72  -3.237   3.594   3.760
  542    HE3  TRP  72           HE3      TRP  72  -5.049  -1.158   2.105
  543    HZ2  TRP  72           HZ2      TRP  72  -1.808   2.589   1.546
  544    HZ3  TRP  72           HZ3      TRP  72  -3.348  -1.197   0.326
  545    HH2  TRP  72           HH2      TRP  72  -1.762   0.641   0.059
  546    H    ASN  73           HN       ASN  73  -7.242   0.392   7.556
  547    HA   ASN  73           HA       ASN  73  -8.712  -1.742   8.574
  548    HB2  ASN  73           HB2      ASN  73  -9.237   1.231   8.613
  549    HB3  ASN  73           HB1      ASN  73 -10.179   0.073   9.546
  550   HD21  ASN  73          HD21      ASN  73  -8.315   2.316  10.282
  551   HD22  ASN  73          HD22      ASN  73  -7.202   1.597  11.395
  552    H    THR  74           HN       THR  74 -10.397  -2.818   7.843
  553    HA   THR  74           HA       THR  74 -11.425  -2.517   5.277
  554    HB   THR  74           HB       THR  74 -12.829  -3.909   7.562
  555    HG1  THR  74           HG1      THR  74 -11.386  -5.495   7.392
  556   HG21  THR  74          HG21      THR  74 -14.098  -3.733   5.445
  557   HG22  THR  74          HG22      THR  74 -13.677  -5.399   5.839
  558   HG23  THR  74          HG23      THR  74 -12.769  -4.529   4.602
  559    H    ASP  75           HN       ASP  75 -12.552  -1.200   8.320
  560    HA   ASP  75           HA       ASP  75 -15.090  -0.327   7.469
  561    HB2  ASP  75           HB2      ASP  75 -13.222   0.663   9.618
  562    HB3  ASP  75           HB1      ASP  75 -14.790   1.405   9.328
  563    H    GLU  76           HN       GLU  76 -11.985   1.386   7.631
  564    HA   GLU  76           HA       GLU  76 -12.825   3.739   6.391
  565    HB2  GLU  76           HB2      GLU  76 -10.066   2.522   6.203
  566    HB3  GLU  76           HB1      GLU  76 -10.485   4.214   5.979
  567    HG2  GLU  76           HG2      GLU  76 -10.591   2.625   8.526
  568    HG3  GLU  76           HG1      GLU  76  -9.520   3.968   8.138
  569    H    ILE  77           HN       ILE  77 -11.724   0.685   4.992
  570    HA   ILE  77           HA       ILE  77 -11.655   1.452   2.303
  571    HB   ILE  77           HB       ILE  77 -12.533  -1.207   3.452
  572   HG12  ILE  77          HG12      ILE  77  -9.814  -0.234   2.529
  573   HG13  ILE  77          HG11      ILE  77 -10.283  -0.620   4.184
  574   HG21  ILE  77          HG21      ILE  77 -13.244  -0.978   1.141
  575   HG22  ILE  77          HG22      ILE  77 -11.915  -2.133   1.258
  576   HG23  ILE  77          HG23      ILE  77 -11.614  -0.499   0.666
  577   HD11  ILE  77          HD11      ILE  77  -8.945  -2.399   3.230
  578   HD12  ILE  77          HD12      ILE  77 -10.082  -2.566   1.893
  579   HD13  ILE  77          HD13      ILE  77 -10.586  -2.966   3.533
  580    H    GLU  78           HN       GLU  78 -14.357   0.369   4.306
  581    HA   GLU  78           HA       GLU  78 -16.321   0.470   2.260
  582    HB2  GLU  78           HB2      GLU  78 -16.555  -0.819   4.370
  583    HB3  GLU  78           HB1      GLU  78 -16.653   0.692   5.261
  584    HG2  GLU  78           HG2      GLU  78 -18.726   1.249   4.202
  585    HG3  GLU  78           HG1      GLU  78 -18.604  -0.150   3.134
  586    H    ARG  79           HN       ARG  79 -15.093   2.776   4.592
  587    HA   ARG  79           HA       ARG  79 -16.821   4.915   4.193
  588    HB2  ARG  79           HB2      ARG  79 -15.165   4.914   5.955
  589    HB3  ARG  79           HB1      ARG  79 -13.857   4.842   4.788
  590    HG2  ARG  79           HG2      ARG  79 -13.976   7.051   5.670
  591    HG3  ARG  79           HG1      ARG  79 -14.511   7.093   3.990
  592    HD2  ARG  79           HD2      ARG  79 -16.823   7.162   4.693
  593    HD3  ARG  79           HD1      ARG  79 -16.343   6.995   6.382
  594    HE   ARG  79           HE       ARG  79 -15.036   9.208   5.711
  595   HH11  ARG  79          HH11      ARG  79 -18.340   8.249   5.076
  596   HH12  ARG  79          HH12      ARG  79 -18.943   9.881   5.069
  597   HH21  ARG  79          HH21      ARG  79 -15.820  11.356   5.699
  598   HH22  ARG  79          HH22      ARG  79 -17.510  11.648   5.426
  599    H    LEU  80           HN       LEU  80 -14.190   3.723   2.201
  600    HA   LEU  80           HA       LEU  80 -13.941   6.051   0.571
  601    HB2  LEU  80           HB2      LEU  80 -13.127   3.202  -0.002
  602    HB3  LEU  80           HB1      LEU  80 -12.638   4.603  -0.934
  603    HG   LEU  80           HG       LEU  80 -11.894   4.011   1.930
  604   HD11  LEU  80          HD11      LEU  80 -10.721   2.628   0.315
  605   HD12  LEU  80          HD12      LEU  80  -9.630   3.820   1.021
  606   HD13  LEU  80          HD13      LEU  80 -10.265   4.062  -0.606
  607   HD21  LEU  80          HD21      LEU  80 -12.137   6.400   1.667
  608   HD22  LEU  80          HD22      LEU  80 -11.193   6.366   0.180
  609   HD23  LEU  80          HD23      LEU  80 -10.422   5.992   1.719
  610    H    MET  81           HN       MET  81 -16.267   3.620   0.734
  611    HA   MET  81           HA       MET  81 -16.950   3.693  -2.088
  612    HB2  MET  81           HB2      MET  81 -18.433   2.350   0.182
  613    HB3  MET  81           HB1      MET  81 -18.664   2.066  -1.538
  614    HG2  MET  81           HG2      MET  81 -16.236   1.366   0.103
  615    HG3  MET  81           HG1      MET  81 -17.419   0.256  -0.593
  616    HE1  MET  81           HE1      MET  81 -14.045  -0.342  -2.589
  617    HE2  MET  81           HE2      MET  81 -15.242  -1.081  -1.526
  618    HE3  MET  81           HE3      MET  81 -14.166   0.172  -0.907
  619    H    GLU  82           HN       GLU  82 -17.457   5.663   0.493
  620    HA   GLU  82           HA       GLU  82 -20.172   6.435  -0.223
  621    HB2  GLU  82           HB2      GLU  82 -18.285   7.583   1.854
  622    HB3  GLU  82           HB1      GLU  82 -19.971   8.030   1.658
  623    HG2  GLU  82           HG2      GLU  82 -20.583   5.677   2.181
  624    HG3  GLU  82           HG1      GLU  82 -18.884   5.365   2.522
  625    H    ALA  83           HN       ALA  83 -20.543   8.892  -0.467
  626    HA   ALA  83           HA       ALA  83 -19.251   9.768  -2.777
  627    HB1  ALA  83           HB1      ALA  83 -20.724  11.483  -0.783
  628    HB2  ALA  83           HB2      ALA  83 -21.481  10.525  -2.053
  629    HB3  ALA  83           HB3      ALA  83 -20.416  11.863  -2.475
  630    H    ASP  84           HN       ASP  84 -18.820  10.949   0.572
  631    HA   ASP  84           HA       ASP  84 -16.587  12.604  -0.112
  632    HB2  ASP  84           HB2      ASP  84 -17.648  11.651   2.556
  633    HB3  ASP  84           HB1      ASP  84 -16.231  12.682   2.408
  634    H    GLY  85           HN       GLY  85 -16.870   9.353  -0.022
  635    HA2  GLY  85           HA2      GLY  85 -14.407   8.700   1.346
  636    HA3  GLY  85           HA1      GLY  85 -15.476   7.580   0.504
  637    H    ALA  86           HN       ALA  86 -15.578   8.221  -2.007
  638    HA   ALA  86           HA       ALA  86 -13.159   7.748  -3.208
  639    HB1  ALA  86           HB1      ALA  86 -15.451   9.326  -4.369
  640    HB2  ALA  86           HB2      ALA  86 -15.330   7.567  -4.335
  641    HB3  ALA  86           HB3      ALA  86 -14.178   8.512  -5.280
  642    H    ALA  87           HN       ALA  87 -14.624  10.861  -2.410
  643    HA   ALA  87           HA       ALA  87 -12.711  12.535  -3.573
  644    HB1  ALA  87           HB1      ALA  87 -13.511  14.241  -2.023
  645    HB2  ALA  87           HB2      ALA  87 -14.320  13.001  -1.064
  646    HB3  ALA  87           HB3      ALA  87 -14.854  13.330  -2.712
  647    H    ARG  88           HN       ARG  88 -12.732  10.850  -0.479
  648    HA   ARG  88           HA       ARG  88 -10.464  12.214   0.583
  649    HB2  ARG  88           HB2      ARG  88 -12.146  11.118   2.017
  650    HB3  ARG  88           HB1      ARG  88 -11.665   9.554   1.375
  651    HG2  ARG  88           HG2      ARG  88 -10.717  10.004   3.599
  652    HG3  ARG  88           HG1      ARG  88  -9.475   9.767   2.369
  653    HD2  ARG  88           HD2      ARG  88  -8.998  11.648   3.921
  654    HD3  ARG  88           HD1      ARG  88  -9.078  12.132   2.229
  655    HE   ARG  88           HE       ARG  88 -11.611  12.519   3.255
  656   HH11  ARG  88          HH11      ARG  88  -8.391  13.737   3.923
  657   HH12  ARG  88          HH12      ARG  88  -8.959  15.270   4.497
  658   HH21  ARG  88          HH21      ARG  88 -12.349  14.535   3.999
  659   HH22  ARG  88          HH22      ARG  88 -11.208  15.720   4.553
  660    H    PHE  89           HN       PHE  89 -10.952   9.359  -1.372
  661    HA   PHE  89           HA       PHE  89  -8.366   8.258  -1.072
  662    HB2  PHE  89           HB2      PHE  89 -10.226   6.943  -1.988
  663    HB3  PHE  89           HB1      PHE  89 -10.291   8.001  -3.397
  664    HD1  PHE  89           HD2      PHE  89  -7.781   5.919  -1.559
  665    HD2  PHE  89           HD1      PHE  89  -9.283   7.239  -5.318
  666    HE1  PHE  89           HE2      PHE  89  -6.162   4.479  -2.708
  667    HE2  PHE  89           HE1      PHE  89  -7.665   5.797  -6.470
  668    HZ   PHE  89           HZ       PHE  89  -6.097   4.421  -5.171
  669    H    GLU  90           HN       GLU  90  -9.709  10.628  -3.333
  670    HA   GLU  90           HA       GLU  90  -7.413  10.870  -4.960
  671    HB2  GLU  90           HB2      GLU  90  -9.546  12.917  -4.305
  672    HB3  GLU  90           HB1      GLU  90  -8.349  13.097  -5.579
  673    HG2  GLU  90           HG2      GLU  90 -10.500  10.993  -5.435
  674    HG3  GLU  90           HG1      GLU  90 -10.478  12.402  -6.491
  675    H    ARG  91           HN       ARG  91  -8.486  12.541  -2.057
  676    HA   ARG  91           HA       ARG  91  -6.339  14.320  -1.756
  677    HB2  ARG  91           HB2      ARG  91  -8.297  14.677  -0.469
  678    HB3  ARG  91           HB1      ARG  91  -8.267  13.044   0.173
  679    HG2  ARG  91           HG2      ARG  91  -7.649  14.600   1.886
  680    HG3  ARG  91           HG1      ARG  91  -6.256  13.609   1.461
  681    HD2  ARG  91           HD2      ARG  91  -5.369  15.427   0.098
  682    HD3  ARG  91           HD1      ARG  91  -6.779  16.415   0.485
  683    HE   ARG  91           HE       ARG  91  -5.690  15.643   2.906
  684   HH11  ARG  91          HH11      ARG  91  -4.635  17.495   0.119
  685   HH12  ARG  91          HH12      ARG  91  -3.575  18.511   1.041
  686   HH21  ARG  91          HH21      ARG  91  -4.313  16.973   4.117
  687   HH22  ARG  91          HH22      ARG  91  -3.402  18.226   3.331
  688    H    TYR  92           HN       TYR  92  -6.680  10.927  -0.979
  689    HA   TYR  92           HA       TYR  92  -4.417  10.775   0.759
  690    HB2  TYR  92           HB2      TYR  92  -6.337   9.160   0.781
  691    HB3  TYR  92           HB1      TYR  92  -5.783   8.546  -0.771
  692    HD1  TYR  92           HD1      TYR  92  -4.642   9.037   2.746
  693    HD2  TYR  92           HD2      TYR  92  -4.272   6.775  -0.840
  694    HE1  TYR  92           HE1      TYR  92  -3.157   7.455   3.903
  695    HE2  TYR  92           HE2      TYR  92  -2.789   5.186   0.311
  696    HH   TYR  92           HH       TYR  92  -2.417   5.123   3.682
  697    H    LEU  93           HN       LEU  93  -4.965  10.411  -2.675
  698    HA   LEU  93           HA       LEU  93  -2.509   9.225  -3.375
  699    HB2  LEU  93           HB2      LEU  93  -4.237  11.100  -4.995
  700    HB3  LEU  93           HB1      LEU  93  -2.948  10.103  -5.640
  701    HG   LEU  93           HG       LEU  93  -5.458   9.034  -4.341
  702   HD11  LEU  93          HD11      LEU  93  -4.705   9.210  -7.254
  703   HD12  LEU  93          HD12      LEU  93  -5.944  10.170  -6.446
  704   HD13  LEU  93          HD13      LEU  93  -6.142   8.424  -6.599
  705   HD21  LEU  93          HD21      LEU  93  -4.716   6.900  -5.376
  706   HD22  LEU  93          HD22      LEU  93  -3.649   7.476  -4.100
  707   HD23  LEU  93          HD23      LEU  93  -3.188   7.678  -5.789
  708    H    ALA  94           HN       ALA  94  -3.488  12.581  -2.969
  709    HA   ALA  94           HA       ALA  94  -1.039  13.705  -3.866
  710    HB1  ALA  94           HB1      ALA  94  -3.135  14.908  -2.064
  711    HB2  ALA  94           HB2      ALA  94  -3.135  14.969  -3.825
  712    HB3  ALA  94           HB3      ALA  94  -1.866  15.787  -2.916
  713    H    ALA  95           HN       ALA  95  -2.055  12.308  -0.880
  714    HA   ALA  95           HA       ALA  95   0.084  13.605   0.621
  715    HB1  ALA  95           HB1      ALA  95  -0.943  12.615   2.589
  716    HB2  ALA  95           HB2      ALA  95  -2.070  11.722   1.567
  717    HB3  ALA  95           HB3      ALA  95  -2.143  13.483   1.631
  718    H    LEU  96           HN       LEU  96  -0.219  10.925  -1.281
  719    HA   LEU  96           HA       LEU  96   0.854   8.808   0.094
  720    HB2  LEU  96           HB2      LEU  96   1.192   9.616  -2.775
  721    HB3  LEU  96           HB1      LEU  96   1.899   8.144  -2.145
  722    HG   LEU  96           HG       LEU  96  -1.049   8.769  -2.061
  723   HD11  LEU  96          HD11      LEU  96  -1.266   7.187  -3.902
  724   HD12  LEU  96          HD12      LEU  96   0.488   7.008  -3.967
  725   HD13  LEU  96          HD13      LEU  96  -0.255   8.557  -4.365
  726   HD21  LEU  96          HD21      LEU  96  -0.399   7.211  -0.339
  727   HD22  LEU  96          HD22      LEU  96   0.524   6.258  -1.500
  728   HD23  LEU  96          HD23      LEU  96  -1.234   6.337  -1.621
  729    HA   PRO  97           HA       PRO  97   5.414  10.244  -1.042
  730    HB2  PRO  97           HB2      PRO  97   5.659  12.996  -1.056
  731    HB3  PRO  97           HB1      PRO  97   5.565  11.992  -2.505
  732    HG2  PRO  97           HG2      PRO  97   3.389  13.509  -1.107
  733    HG3  PRO  97           HG1      PRO  97   3.727  13.384  -2.845
  734    HD2  PRO  97           HD2      PRO  97   1.780  11.945  -1.753
  735    HD3  PRO  97           HD1      PRO  97   2.846  11.223  -2.981
  736    H    ARG  98           HN       ARG  98   3.244  12.201   0.901
  737    HA   ARG  98           HA       ARG  98   5.238  12.839   2.866
  738    HB2  ARG  98           HB2      ARG  98   3.439  14.404   2.367
  739    HB3  ARG  98           HB1      ARG  98   2.240  13.222   2.866
  740    HG2  ARG  98           HG2      ARG  98   2.768  13.455   5.115
  741    HG3  ARG  98           HG1      ARG  98   4.341  14.176   4.769
  742    HD2  ARG  98           HD2      ARG  98   2.603  15.777   5.598
  743    HD3  ARG  98           HD1      ARG  98   3.353  16.212   4.067
  744    HE   ARG  98           HE       ARG  98   1.304  15.325   2.987
  745   HH11  ARG  98          HH11      ARG  98   1.181  16.320   6.343
  746   HH12  ARG  98          HH12      ARG  98  -0.507  16.721   6.289
  747   HH21  ARG  98          HH21      ARG  98  -0.921  15.882   2.924
  748   HH22  ARG  98          HH22      ARG  98  -1.688  16.479   4.361
  749    H    LYS  99           HN       LYS  99   2.667  10.479   2.506
  750    HA   LYS  99           HA       LYS  99   2.808   9.426   5.143
  751    HB2  LYS  99           HB2      LYS  99   1.908   8.128   2.565
  752    HB3  LYS  99           HB1      LYS  99   1.650   7.458   4.164
  753    HG2  LYS  99           HG2      LYS  99   0.526  10.065   3.159
  754    HG3  LYS  99           HG1      LYS  99  -0.354   8.541   3.273
  755    HD2  LYS  99           HD2      LYS  99   0.056   8.537   5.716
  756    HD3  LYS  99           HD1      LYS  99   0.823  10.118   5.560
  757    HE2  LYS  99           HE2      LYS  99  -1.276  11.025   4.652
  758    HE3  LYS  99           HE1      LYS  99  -2.036   9.449   4.867
  759    HZ1  LYS  99           HZ1      LYS  99  -0.988  11.222   7.004
  760    HZ2  LYS  99           HZ2      LYS  99  -1.549   9.650   7.268
  761    HZ3  LYS  99           HZ3      LYS  99  -2.611  10.839   6.705
  762    H    LEU 100           HN       LEU 100   4.260   8.482   2.055
  763    HA   LEU 100           HA       LEU 100   5.679   6.248   2.905
  764    HB2  LEU 100           HB2      LEU 100   5.991   8.194   0.673
  765    HB3  LEU 100           HB1      LEU 100   7.327   7.115   1.006
  766    HG   LEU 100           HG       LEU 100   5.816   6.329  -0.805
  767   HD11  LEU 100          HD11      LEU 100   7.202   4.757   0.422
  768   HD12  LEU 100          HD12      LEU 100   5.670   4.029  -0.057
  769   HD13  LEU 100          HD13      LEU 100   5.919   4.542   1.609
  770   HD21  LEU 100          HD21      LEU 100   3.689   7.109   0.051
  771   HD22  LEU 100          HD22      LEU 100   3.820   6.010   1.424
  772   HD23  LEU 100          HD23      LEU 100   3.646   5.364  -0.208
  773    H    ALA 101           HN       ALA 101   6.621   9.658   2.887
  774    HA   ALA 101           HA       ALA 101   9.256   9.299   3.811
  775    HB1  ALA 101           HB1      ALA 101   8.440  11.370   2.776
  776    HB2  ALA 101           HB2      ALA 101   9.203  11.668   4.338
  777    HB3  ALA 101           HB3      ALA 101   7.446  11.678   4.199
  778    H    ALA 102           HN       ALA 102   6.186   9.685   5.508
  779    HA   ALA 102           HA       ALA 102   7.257  10.039   8.093
  780    HB1  ALA 102           HB1      ALA 102   4.569   8.945   7.268
  781    HB2  ALA 102           HB2      ALA 102   4.963  10.641   7.542
  782    HB3  ALA 102           HB3      ALA 102   5.001   9.501   8.886
  783    H    TRP 103           HN       TRP 103   6.257   7.167   6.291
  784    HA   TRP 103           HA       TRP 103   6.610   5.352   8.437
  785    HB2  TRP 103           HB2      TRP 103   6.578   4.895   5.444
  786    HB3  TRP 103           HB1      TRP 103   6.627   3.595   6.633
  787    HD1  TRP 103           HD1      TRP 103   4.474   4.850   8.679
  788    HE1  TRP 103           HE1      TRP 103   1.988   4.840   8.021
  789    HE3  TRP 103           HE3      TRP 103   4.976   4.337   3.624
  790    HZ2  TRP 103           HZ2      TRP 103   0.446   4.645   5.670
  791    HZ3  TRP 103           HZ3      TRP 103   2.944   4.244   2.241
  792    HH2  TRP 103           HH2      TRP 103   0.726   4.395   3.246
  793    H    GLU 104           HN       GLU 104   8.796   6.694   6.058
  794    HA   GLU 104           HA       GLU 104  10.945   4.931   6.403
  795    HB2  GLU 104           HB2      GLU 104  11.022   7.900   5.837
  796    HB3  GLU 104           HB1      GLU 104  12.381   6.800   5.658
  797    HG2  GLU 104           HG2      GLU 104  10.976   5.514   4.014
  798    HG3  GLU 104           HG1      GLU 104   9.834   6.860   4.075
  799    H    ASN 105           HN       ASN 105  10.157   7.936   8.079
  800    HA   ASN 105           HA       ASN 105  12.409   7.836   9.811
  801    HB2  ASN 105           HB2      ASN 105  11.245   9.936   9.221
  802    HB3  ASN 105           HB1      ASN 105   9.823   9.384  10.099
  803   HD21  ASN 105          HD21      ASN 105  13.179   8.962  11.119
  804   HD22  ASN 105          HD22      ASN 105  13.061   9.979  12.515
  805    H    ALA 106           HN       ALA 106   9.020   6.867  10.152
  806    HA   ALA 106           HA       ALA 106   9.324   6.413  12.978
  807    HB1  ALA 106           HB1      ALA 106   7.239   7.303  12.034
  808    HB2  ALA 106           HB2      ALA 106   6.979   5.824  12.959
  809    HB3  ALA 106           HB3      ALA 106   6.982   5.772  11.196
  810    H    ARG 107           HN       ARG 107   9.651   4.413  10.141
  811    HA   ARG 107           HA       ARG 107   9.503   2.059  11.907
  812    HB2  ARG 107           HB2      ARG 107   8.936   2.206   8.947
  813    HB3  ARG 107           HB1      ARG 107   8.898   0.739   9.912
  814    HG2  ARG 107           HG2      ARG 107   7.106   3.135  10.306
  815    HG3  ARG 107           HG1      ARG 107   6.659   1.645   9.477
  816    HD2  ARG 107           HD2      ARG 107   7.433   1.906  12.387
  817    HD3  ARG 107           HD1      ARG 107   5.809   1.638  11.760
  818    HE   ARG 107           HE       ARG 107   7.921  -0.325  11.197
  819   HH11  ARG 107          HH11      ARG 107   4.919   0.500  12.813
  820   HH12  ARG 107          HH12      ARG 107   4.511  -1.151  13.155
  821   HH21  ARG 107          HH21      ARG 107   7.394  -2.487  11.681
  822   HH22  ARG 107          HH22      ARG 107   5.910  -2.847  12.507
  823    H    GLY 108           HN       GLY 108  11.769   3.930  10.543
  824    HA2  GLY 108           HA2      GLY 108  14.008   3.588  10.100
  825    HA3  GLY 108           HA1      GLY 108  13.811   1.979  10.790
  826    H    VAL 109           HN       VAL 109  12.463   3.582   7.940
  827    HA   VAL 109           HA       VAL 109  13.381   1.299   6.312
  828    HB   VAL 109           HB       VAL 109  10.675   2.662   6.163
  829   HG11  VAL 109          HG11      VAL 109  11.790   0.486   4.401
  830   HG12  VAL 109          HG12      VAL 109  11.507   2.157   3.921
  831   HG13  VAL 109          HG13      VAL 109  10.146   1.121   4.349
  832   HG21  VAL 109          HG21      VAL 109  10.837   1.023   7.965
  833   HG22  VAL 109          HG22      VAL 109  11.400  -0.190   6.815
  834   HG23  VAL 109          HG23      VAL 109   9.767   0.458   6.682
  835    H    ASP 110           HN       ASP 110  14.054   1.827   4.197
  836    HA   ASP 110           HA       ASP 110  13.929   4.683   3.500
  837    HB2  ASP 110           HB2      ASP 110  16.215   3.954   4.391
  838    HB3  ASP 110           HB1      ASP 110  16.360   2.983   2.923
  839    H    PHE 111           HN       PHE 111  12.729   4.815   1.724
  840    HA   PHE 111           HA       PHE 111  12.427   2.516  -0.003
  841    HB2  PHE 111           HB2      PHE 111  11.160   5.257  -0.054
  842    HB3  PHE 111           HB1      PHE 111  10.781   3.984  -1.205
  843    HD1  PHE 111           HD1      PHE 111   9.534   2.022  -0.519
  844    HD2  PHE 111           HD2      PHE 111  10.410   5.138   2.234
  845    HE1  PHE 111           HE1      PHE 111   7.837   1.129   1.018
  846    HE2  PHE 111           HE2      PHE 111   8.718   4.253   3.781
  847    HZ   PHE 111           HZ       PHE 111   7.472   2.210   3.203
  848    H    GLY 112           HN       GLY 112  14.512   5.152   0.108
  849    HA2  GLY 112           HA2      GLY 112  14.876   5.435  -2.746
  850    HA3  GLY 112           HA1      GLY 112  15.871   6.157  -1.488
  851    H    SER 113           HN       SER 113  16.855   4.168  -0.083
  852    HA   SER 113           HA       SER 113  18.673   2.871  -1.900
  853    HB2  SER 113           HB2      SER 113  19.354   3.797   0.336
  854    HB3  SER 113           HB1      SER 113  18.429   2.501   1.098
  855    HG   SER 113           HG       SER 113  20.192   1.388   0.897
  856    H    ARG 114           HN       ARG 114  15.707   2.146  -0.429
  857    HA   ARG 114           HA       ARG 114  14.265   0.430  -0.679
  858    HB2  ARG 114           HB2      ARG 114  16.317  -0.415  -2.712
  859    HB3  ARG 114           HB1      ARG 114  14.837  -1.328  -2.420
  860    HG2  ARG 114           HG2      ARG 114  13.477   0.494  -3.114
  861    HG3  ARG 114           HG1      ARG 114  14.860   1.590  -3.149
  862    HD2  ARG 114           HD2      ARG 114  14.536  -0.829  -4.917
  863    HD3  ARG 114           HD1      ARG 114  14.144   0.822  -5.392
  864    HE   ARG 114           HE       ARG 114  16.725   0.969  -4.546
  865   HH11  ARG 114          HH11      ARG 114  15.025  -0.930  -6.946
  866   HH12  ARG 114          HH12      ARG 114  16.425  -1.135  -7.954
  867   HH21  ARG 114          HH21      ARG 114  18.556   0.728  -5.877
  868   HH22  ARG 114          HH22      ARG 114  18.433  -0.187  -7.346
  869    H    THR 115           HN       THR 115  16.118   0.409   1.409
  870    HA   THR 115           HA       THR 115  16.251  -2.472   1.956
  871    HB   THR 115           HB       THR 115  18.249  -1.688   3.494
  872    HG1  THR 115           HG1      THR 115  18.734   0.337   3.114
  873   HG21  THR 115          HG21      THR 115  18.468  -3.365   1.744
  874   HG22  THR 115          HG22      THR 115  19.827  -2.245   1.670
  875   HG23  THR 115          HG23      THR 115  18.507  -2.105   0.511
  876    H    GLN 116           HN       GLN 116  16.265  -2.934   4.346
  877    HA   GLN 116           HA       GLN 116  14.987  -0.842   5.931
  878    HB2  GLN 116           HB2      GLN 116  13.238  -2.484   6.686
  879    HB3  GLN 116           HB1      GLN 116  13.078  -1.946   5.022
  880    HG2  GLN 116           HG2      GLN 116  13.960  -4.009   4.200
  881    HG3  GLN 116           HG1      GLN 116  14.368  -4.540   5.832
  882   HE21  GLN 116          HE21      GLN 116  11.920  -3.572   7.018
  883   HE22  GLN 116          HE22      GLN 116  10.672  -4.645   6.505
  884    H    ALA 117           HN       ALA 117  15.060  -1.167   8.178
  885    HA   ALA 117           HA       ALA 117  17.379  -2.685   9.015
  886    HB1  ALA 117           HB1      ALA 117  17.038  -0.368   9.773
  887    HB2  ALA 117           HB2      ALA 117  17.146  -1.504  11.119
  888    HB3  ALA 117           HB3      ALA 117  15.577  -0.877  10.618
  889    H    ASP 118           HN       ASP 118  14.009  -3.091   8.962
  890    HA   ASP 118           HA       ASP 118  13.974  -5.004  11.155
  891    HB2  ASP 118           HB2      ASP 118  11.843  -3.841   9.374
  892    HB3  ASP 118           HB1      ASP 118  11.517  -5.251  10.379
  893    H    ALA 119           HN       ALA 119  12.834  -7.135  10.730
  894    HA   ALA 119           HA       ALA 119  14.050  -8.484   8.515
  895    HB1  ALA 119           HB1      ALA 119  11.973  -9.418  10.498
  896    HB2  ALA 119           HB2      ALA 119  13.713  -9.671  10.605
  897    HB3  ALA 119           HB3      ALA 119  12.784 -10.452   9.325
  898    H    LEU 120           HN       LEU 120  10.632  -8.046   9.444
  899    HA   LEU 120           HA       LEU 120   9.972  -7.577   6.631
  900    HB2  LEU 120           HB2      LEU 120   9.517  -9.948   7.178
  901    HB3  LEU 120           HB1      LEU 120   8.507  -9.441   8.511
  902    HG   LEU 120           HG       LEU 120   6.955  -8.381   6.904
  903   HD11  LEU 120          HD11      LEU 120   8.451  -7.900   5.094
  904   HD12  LEU 120          HD12      LEU 120   7.181  -8.978   4.520
  905   HD13  LEU 120          HD13      LEU 120   8.788  -9.615   4.865
  906   HD21  LEU 120          HD21      LEU 120   6.513 -10.620   7.699
  907   HD22  LEU 120          HD22      LEU 120   7.543 -11.298   6.437
  908   HD23  LEU 120          HD23      LEU 120   6.043 -10.477   6.006
  909    H    VAL 121           HN       VAL 121   8.460  -5.947   6.356
  910    HA   VAL 121           HA       VAL 121   7.460  -4.780   8.861
  911    HB   VAL 121           HB       VAL 121   9.096  -3.300   7.883
  912   HG11  VAL 121          HG11      VAL 121   8.892  -2.325   5.689
  913   HG12  VAL 121          HG12      VAL 121   7.404  -3.225   5.397
  914   HG13  VAL 121          HG13      VAL 121   8.935  -4.084   5.555
  915   HG21  VAL 121          HG21      VAL 121   7.747  -1.265   7.626
  916   HG22  VAL 121          HG22      VAL 121   7.212  -2.251   8.986
  917   HG23  VAL 121          HG23      VAL 121   6.297  -2.257   7.479
  918    H    LEU 122           HN       LEU 122   5.468  -5.486   9.048
  919    HA   LEU 122           HA       LEU 122   3.642  -5.211   6.758
  920    HB2  LEU 122           HB2      LEU 122   3.187  -6.749   9.316
  921    HB3  LEU 122           HB1      LEU 122   2.208  -6.807   7.865
  922    HG   LEU 122           HG       LEU 122   5.026  -7.863   8.153
  923   HD11  LEU 122          HD11      LEU 122   2.383  -9.270   7.830
  924   HD12  LEU 122          HD12      LEU 122   3.388  -9.245   9.280
  925   HD13  LEU 122          HD13      LEU 122   3.966 -10.043   7.817
  926   HD21  LEU 122          HD21      LEU 122   3.170  -7.949   5.782
  927   HD22  LEU 122          HD22      LEU 122   4.734  -8.753   5.905
  928   HD23  LEU 122          HD23      LEU 122   4.646  -6.992   5.909
  929    H    LEU 123           HN       LEU 123   2.654  -3.294   6.809
  930    HA   LEU 123           HA       LEU 123   2.100  -2.041   9.390
  931    HB2  LEU 123           HB2      LEU 123   1.810  -0.934   6.596
  932    HB3  LEU 123           HB1      LEU 123   1.591  -0.027   8.080
  933    HG   LEU 123           HG       LEU 123   4.178  -1.221   7.090
  934   HD11  LEU 123          HD11      LEU 123   4.881   1.086   6.817
  935   HD12  LEU 123          HD12      LEU 123   3.305   1.650   7.371
  936   HD13  LEU 123          HD13      LEU 123   3.439   0.762   5.853
  937   HD21  LEU 123          HD21      LEU 123   4.114  -1.300   9.509
  938   HD22  LEU 123          HD22      LEU 123   3.593   0.384   9.575
  939   HD23  LEU 123          HD23      LEU 123   5.202  -0.021   8.978
  940    H    GLY 124           HN       GLY 124   0.258  -2.598  10.294
  941    HA2  GLY 124           HA2      GLY 124  -2.136  -2.831   8.591
  942    HA3  GLY 124           HA1      GLY 124  -1.918  -3.678  10.114
  943    H    GLY 125           HN       GLY 125  -4.206  -2.286   9.767
  944    HA2  GLY 125           HA2      GLY 125  -5.528  -0.815  10.927
  945    HA3  GLY 125           HA1      GLY 125  -4.157  -0.532  11.990
  946    H    LEU 126           HN       LEU 126  -3.687   0.052   8.623
  947    HA   LEU 126           HA       LEU 126  -3.161   2.802   9.101
  948    HB2  LEU 126           HB2      LEU 126  -3.081   1.013   6.739
  949    HB3  LEU 126           HB1      LEU 126  -3.213   2.736   6.434
  950    HG   LEU 126           HG       LEU 126  -1.141   3.136   7.670
  951   HD11  LEU 126          HD11      LEU 126  -1.367   1.245   9.254
  952   HD12  LEU 126          HD12      LEU 126   0.221   1.348   8.500
  953   HD13  LEU 126          HD13      LEU 126  -0.942   0.143   7.943
  954   HD21  LEU 126          HD21      LEU 126  -1.032   2.705   5.276
  955   HD22  LEU 126          HD22      LEU 126  -0.888   0.974   5.583
  956   HD23  LEU 126          HD23      LEU 126   0.394   2.071   6.096
  957    H    ASP 127           HN       ASP 127  -4.187   4.609   8.348
  958    HA   ASP 127           HA       ASP 127  -7.021   4.296   7.589
  959    HB2  ASP 127           HB2      ASP 127  -5.768   6.440   9.340
  960    HB3  ASP 127           HB1      ASP 127  -7.440   6.453   8.784
  961    H    PHE 128           HN       PHE 128  -7.851   6.249   6.390
  962    HA   PHE 128           HA       PHE 128  -5.799   7.113   4.479
  963    HB2  PHE 128           HB2      PHE 128  -8.810   6.992   4.278
  964    HB3  PHE 128           HB1      PHE 128  -7.787   7.727   3.050
  965    HD1  PHE 128           HD2      PHE 128  -8.684   4.565   4.711
  966    HD2  PHE 128           HD1      PHE 128  -6.567   6.398   1.501
  967    HE1  PHE 128           HE2      PHE 128  -8.374   2.364   3.662
  968    HE2  PHE 128           HE1      PHE 128  -6.260   4.199   0.442
  969    HZ   PHE 128           HZ       PHE 128  -7.164   2.176   1.523
  970    H    GLU 129           HN       GLU 129  -6.353   8.300   7.148
  971    HA   GLU 129           HA       GLU 129  -7.586  10.828   6.723
  972    HB2  GLU 129           HB2      GLU 129  -5.750   9.903   8.942
  973    HB3  GLU 129           HB1      GLU 129  -6.710  11.375   8.958
  974    HG2  GLU 129           HG2      GLU 129  -7.804   8.575   8.829
  975    HG3  GLU 129           HG1      GLU 129  -7.751   9.596  10.263
  976    H    ALA 130           HN       ALA 130  -6.732  12.267   5.405
  977    HA   ALA 130           HA       ALA 130  -3.856  12.825   5.574
  978    HB1  ALA 130           HB1      ALA 130  -4.198  11.428   3.613
  979    HB2  ALA 130           HB2      ALA 130  -3.761  13.068   3.134
  980    HB3  ALA 130           HB3      ALA 130  -5.437  12.534   3.022
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -28.763 -14.610   6.790
    2    H2   GLY   1           HT2      GLY   1 -27.595 -14.776   8.002
    3    H3   GLY   1           HT3      GLY   1 -28.424 -16.131   7.438
    4    HA2  GLY   1           HA1      GLY   1 -27.406 -15.946   5.287
    5    HA3  GLY   1           HA2      GLY   1 -26.594 -14.477   5.804
    6    H    ALA   2           HN       ALA   2 -25.078 -16.490   4.815
    7    HA   ALA   2           HA       ALA   2 -24.064 -18.046   7.064
    8    HB1  ALA   2           HB1      ALA   2 -24.389 -19.174   4.910
    9    HB2  ALA   2           HB2      ALA   2 -22.696 -19.200   5.407
   10    HB3  ALA   2           HB3      ALA   2 -23.233 -18.072   4.162
   11    H    MET   3           HN       MET   3 -23.023 -15.518   4.830
   12    HA   MET   3           HA       MET   3 -20.572 -15.212   6.431
   13    HB2  MET   3           HB2      MET   3 -21.101 -14.423   3.556
   14    HB3  MET   3           HB1      MET   3 -19.614 -14.073   4.429
   15    HG2  MET   3           HG2      MET   3 -20.699 -16.798   3.735
   16    HG3  MET   3           HG1      MET   3 -19.319 -15.992   2.993
   17    HE1  MET   3           HE1      MET   3 -19.140 -18.947   4.106
   18    HE2  MET   3           HE2      MET   3 -17.589 -18.885   4.944
   19    HE3  MET   3           HE3      MET   3 -17.784 -18.079   3.388
   20    H    GLY   4           HN       GLY   4 -22.021 -12.897   4.172
   21    HA2  GLY   4           HA2      GLY   4 -22.954 -10.823   4.535
   22    HA3  GLY   4           HA1      GLY   4 -23.161 -11.264   6.221
   23    H    MET   5           HN       MET   5 -20.210 -11.016   4.274
   24    HA   MET   5           HA       MET   5 -19.236  -9.012   6.197
   25    HB2  MET   5           HB2      MET   5 -16.993  -9.767   5.775
   26    HB3  MET   5           HB1      MET   5 -17.980 -11.173   6.147
   27    HG2  MET   5           HG2      MET   5 -17.100 -10.297   3.401
   28    HG3  MET   5           HG1      MET   5 -16.428 -11.633   4.333
   29    HE1  MET   5           HE1      MET   5 -16.756 -13.405   2.459
   30    HE2  MET   5           HE2      MET   5 -17.307 -12.115   1.390
   31    HE3  MET   5           HE3      MET   5 -18.245 -13.602   1.535
   32    H    SER   6           HN       SER   6 -20.815  -8.772   3.655
   33    HA   SER   6           HA       SER   6 -20.983  -7.444   1.835
   34    HB2  SER   6           HB2      SER   6 -18.752  -5.892   3.162
   35    HB3  SER   6           HB1      SER   6 -19.822  -5.290   1.898
   36    HG   SER   6           HG       SER   6 -20.484  -6.018   4.556
   37    HA   PRO   7           HA       PRO   7 -17.354  -9.676  -0.094
   38    HB2  PRO   7           HB2      PRO   7 -19.449 -10.547  -1.969
   39    HB3  PRO   7           HB1      PRO   7 -18.257 -11.511  -1.099
   40    HG2  PRO   7           HG2      PRO   7 -20.866 -11.547  -0.450
   41    HG3  PRO   7           HG1      PRO   7 -19.588 -11.721   0.767
   42    HD2  PRO   7           HD2      PRO   7 -21.266  -9.337   0.098
   43    HD3  PRO   7           HD1      PRO   7 -20.700  -9.909   1.681
   44    H    ASP   8           HN       ASP   8 -19.886  -7.601  -1.175
   45    HA   ASP   8           HA       ASP   8 -18.841  -7.057  -3.781
   46    HB2  ASP   8           HB2      ASP   8 -21.205  -6.680  -3.285
   47    HB3  ASP   8           HB1      ASP   8 -20.778  -5.488  -2.062
   48    H    THR   9           HN       THR   9 -18.581  -5.562  -0.609
   49    HA   THR   9           HA       THR   9 -17.162  -3.260  -1.362
   50    HB   THR   9           HB       THR   9 -17.018  -4.773   1.256
   51    HG1  THR   9           HG1      THR   9 -18.923  -3.074   0.122
   52   HG21  THR   9          HG21      THR   9 -15.227  -3.137   1.027
   53   HG22  THR   9          HG22      THR   9 -16.412  -2.591   2.215
   54   HG23  THR   9          HG23      THR   9 -16.400  -1.893   0.596
   55    H    ALA  10           HN       ALA  10 -16.024  -6.408  -0.159
   56    HA   ALA  10           HA       ALA  10 -13.285  -5.842  -0.246
   57    HB1  ALA  10           HB1      ALA  10 -14.252  -7.716   1.001
   58    HB2  ALA  10           HB2      ALA  10 -12.958  -8.242  -0.073
   59    HB3  ALA  10           HB3      ALA  10 -14.640  -8.520  -0.519
   60    H    ARG  11           HN       ARG  11 -15.425  -7.311  -2.655
   61    HA   ARG  11           HA       ARG  11 -13.361  -8.003  -4.470
   62    HB2  ARG  11           HB2      ARG  11 -15.554  -9.097  -4.471
   63    HB3  ARG  11           HB1      ARG  11 -16.310  -7.591  -4.974
   64    HG2  ARG  11           HG2      ARG  11 -15.091  -7.667  -7.081
   65    HG3  ARG  11           HG1      ARG  11 -14.293  -9.158  -6.572
   66    HD2  ARG  11           HD2      ARG  11 -17.261  -8.783  -6.952
   67    HD3  ARG  11           HD1      ARG  11 -16.177  -9.620  -8.062
   68    HE   ARG  11           HE       ARG  11 -15.789 -11.245  -6.249
   69   HH11  ARG  11          HH11      ARG  11 -18.665  -9.241  -6.089
   70   HH12  ARG  11          HH12      ARG  11 -19.558 -10.383  -5.143
   71   HH21  ARG  11          HH21      ARG  11 -16.961 -12.741  -5.006
   72   HH22  ARG  11          HH22      ARG  11 -18.590 -12.379  -4.523
   73    H    ARG  12           HN       ARG  12 -15.558  -5.237  -4.263
   74    HA   ARG  12           HA       ARG  12 -14.781  -4.047  -6.698
   75    HB2  ARG  12           HB2      ARG  12 -16.274  -3.150  -4.283
   76    HB3  ARG  12           HB1      ARG  12 -15.704  -1.923  -5.407
   77    HG2  ARG  12           HG2      ARG  12 -16.908  -3.016  -7.225
   78    HG3  ARG  12           HG1      ARG  12 -17.463  -4.266  -6.113
   79    HD2  ARG  12           HD2      ARG  12 -18.932  -2.855  -5.048
   80    HD3  ARG  12           HD1      ARG  12 -18.015  -1.409  -5.471
   81    HE   ARG  12           HE       ARG  12 -18.854  -2.149  -7.866
   82   HH11  ARG  12          HH11      ARG  12 -20.667  -2.242  -4.876
   83   HH12  ARG  12          HH12      ARG  12 -22.151  -1.715  -5.614
   84   HH21  ARG  12          HH21      ARG  12 -20.812  -1.470  -8.841
   85   HH22  ARG  12          HH22      ARG  12 -22.237  -1.300  -7.866
   86    H    PHE  13           HN       PHE  13 -13.561  -3.710  -3.403
   87    HA   PHE  13           HA       PHE  13 -11.813  -1.554  -3.947
   88    HB2  PHE  13           HB2      PHE  13 -12.411  -2.175  -1.659
   89    HB3  PHE  13           HB1      PHE  13 -11.604  -3.723  -1.846
   90    HD1  PHE  13           HD1      PHE  13 -11.082  -0.085  -1.573
   91    HD2  PHE  13           HD2      PHE  13  -9.252  -3.926  -1.593
   92    HE1  PHE  13           HE1      PHE  13  -8.989   0.910  -0.754
   93    HE2  PHE  13           HE2      PHE  13  -7.156  -2.937  -0.774
   94    HZ   PHE  13           HZ       PHE  13  -7.022  -0.514  -0.352
   95    H    ASP  14           HN       ASP  14 -11.443  -5.045  -4.093
   96    HA   ASP  14           HA       ASP  14  -8.670  -5.103  -4.591
   97    HB2  ASP  14           HB2      ASP  14  -9.680  -7.096  -3.818
   98    HB3  ASP  14           HB1      ASP  14 -10.893  -7.068  -5.090
   99    H    THR  15           HN       THR  15 -11.434  -4.763  -6.721
  100    HA   THR  15           HA       THR  15  -9.765  -5.188  -9.062
  101    HB   THR  15           HB       THR  15 -12.030  -4.780 -10.248
  102    HG1  THR  15           HG1      THR  15 -13.036  -5.502  -7.688
  103   HG21  THR  15          HG21      THR  15 -11.605  -7.171  -8.452
  104   HG22  THR  15          HG22      THR  15 -10.945  -6.959 -10.075
  105   HG23  THR  15          HG23      THR  15 -12.685  -7.113  -9.843
  106    H    GLU  16           HN       GLU  16 -11.673  -2.551  -7.615
  107    HA   GLU  16           HA       GLU  16 -11.000  -0.819  -9.855
  108    HB2  GLU  16           HB2      GLU  16 -13.288  -0.818  -8.961
  109    HB3  GLU  16           HB1      GLU  16 -12.680  -0.290  -7.399
  110    HG2  GLU  16           HG2      GLU  16 -13.520   1.637  -8.412
  111    HG3  GLU  16           HG1      GLU  16 -11.770   1.743  -8.598
  112    H    PHE  17           HN       PHE  17 -10.295  -1.017  -6.378
  113    HA   PHE  17           HA       PHE  17  -8.918   1.556  -6.558
  114    HB2  PHE  17           HB2      PHE  17  -9.778  -0.089  -4.179
  115    HB3  PHE  17           HB1      PHE  17  -8.852   1.401  -4.049
  116    HD1  PHE  17           HD2      PHE  17 -12.079  -0.023  -5.144
  117    HD2  PHE  17           HD1      PHE  17  -9.913   3.522  -4.210
  118    HE1  PHE  17           HE2      PHE  17 -14.171   1.268  -5.195
  119    HE2  PHE  17           HE1      PHE  17 -12.000   4.817  -4.264
  120    HZ   PHE  17           HZ       PHE  17 -14.124   3.705  -4.733
  121    H    ALA  18           HN       ALA  18  -8.233  -1.763  -5.420
  122    HA   ALA  18           HA       ALA  18  -5.729  -1.273  -4.363
  123    HB1  ALA  18           HB1      ALA  18  -6.994  -3.351  -4.036
  124    HB2  ALA  18           HB2      ALA  18  -5.312  -3.637  -4.480
  125    HB3  ALA  18           HB3      ALA  18  -6.586  -3.838  -5.679
  126    HA   PRO  19           HA       PRO  19  -3.654  -2.405  -8.638
  127    HB2  PRO  19           HB2      PRO  19  -5.758  -1.450 -10.506
  128    HB3  PRO  19           HB1      PRO  19  -4.694  -2.860 -10.633
  129    HG2  PRO  19           HG2      PRO  19  -7.265  -3.164 -10.046
  130    HG3  PRO  19           HG1      PRO  19  -6.031  -4.152  -9.240
  131    HD2  PRO  19           HD2      PRO  19  -7.488  -1.737  -8.220
  132    HD3  PRO  19           HD1      PRO  19  -7.115  -3.259  -7.386
  133    H    ARG  20           HN       ARG  20  -5.870   0.282  -8.229
  134    HA   ARG  20           HA       ARG  20  -4.307   2.148  -9.743
  135    HB2  ARG  20           HB2      ARG  20  -6.721   2.452  -9.500
  136    HB3  ARG  20           HB1      ARG  20  -6.547   2.593  -7.757
  137    HG2  ARG  20           HG2      ARG  20  -5.266   4.649  -8.042
  138    HG3  ARG  20           HG1      ARG  20  -5.419   4.504  -9.795
  139    HD2  ARG  20           HD2      ARG  20  -7.829   4.698  -9.630
  140    HD3  ARG  20           HD1      ARG  20  -7.727   4.746  -7.872
  141    HE   ARG  20           HE       ARG  20  -6.184   6.822  -9.053
  142   HH11  ARG  20          HH11      ARG  20  -9.464   5.885  -8.277
  143   HH12  ARG  20          HH12      ARG  20 -10.045   7.516  -8.157
  144   HH21  ARG  20          HH21      ARG  20  -6.931   8.979  -8.902
  145   HH22  ARG  20          HH22      ARG  20  -8.598   9.282  -8.522
  146    H    ILE  21           HN       ILE  21  -4.730   1.364  -6.326
  147    HA   ILE  21           HA       ILE  21  -3.101   3.379  -5.241
  148    HB   ILE  21           HB       ILE  21  -3.522   0.571  -4.192
  149   HG12  ILE  21          HG12      ILE  21  -5.013   3.116  -3.516
  150   HG13  ILE  21          HG11      ILE  21  -5.629   1.853  -4.576
  151   HG21  ILE  21          HG21      ILE  21  -2.686   3.070  -2.719
  152   HG22  ILE  21          HG22      ILE  21  -1.607   1.753  -3.181
  153   HG23  ILE  21          HG23      ILE  21  -2.904   1.464  -2.023
  154   HD11  ILE  21          HD11      ILE  21  -5.013   1.584  -1.639
  155   HD12  ILE  21          HD12      ILE  21  -5.552   0.274  -2.688
  156   HD13  ILE  21          HD13      ILE  21  -6.610   1.650  -2.384
  157    H    ALA  22           HN       ALA  22  -2.368   0.056  -6.221
  158    HA   ALA  22           HA       ALA  22   0.353   0.052  -5.560
  159    HB1  ALA  22           HB1      ALA  22  -1.082  -1.511  -7.703
  160    HB2  ALA  22           HB2      ALA  22  -0.915  -1.981  -6.012
  161    HB3  ALA  22           HB3      ALA  22   0.510  -1.888  -7.047
  162    H    ARG  23           HN       ARG  23  -1.331   1.110  -8.449
  163    HA   ARG  23           HA       ARG  23   0.992   1.435 -10.054
  164    HB2  ARG  23           HB2      ARG  23  -1.190   1.147 -11.070
  165    HB3  ARG  23           HB1      ARG  23  -1.779   2.609 -10.296
  166    HG2  ARG  23           HG2      ARG  23  -0.447   3.991 -11.667
  167    HG3  ARG  23           HG1      ARG  23   0.500   2.618 -12.249
  168    HD2  ARG  23           HD2      ARG  23  -2.440   3.053 -12.759
  169    HD3  ARG  23           HD1      ARG  23  -1.145   3.398 -13.907
  170    HE   ARG  23           HE       ARG  23  -0.621   0.907 -13.608
  171   HH11  ARG  23          HH11      ARG  23  -3.842   2.278 -13.533
  172   HH12  ARG  23          HH12      ARG  23  -4.612   0.810 -14.045
  173   HH21  ARG  23          HH21      ARG  23  -1.637  -1.024 -14.277
  174   HH22  ARG  23          HH22      ARG  23  -3.360  -1.058 -14.476
  175    H    ALA  24           HN       ALA  24  -0.933   3.660  -8.081
  176    HA   ALA  24           HA       ALA  24   0.433   6.017  -8.800
  177    HB1  ALA  24           HB1      ALA  24  -0.593   6.995  -6.812
  178    HB2  ALA  24           HB2      ALA  24  -1.036   5.386  -6.241
  179    HB3  ALA  24           HB3      ALA  24  -1.760   6.030  -7.715
  180    H    ILE  25           HN       ILE  25   0.842   3.765  -6.115
  181    HA   ILE  25           HA       ILE  25   3.001   5.058  -4.878
  182    HB   ILE  25           HB       ILE  25   2.287   2.120  -4.900
  183   HG12  ILE  25          HG12      ILE  25   1.697   4.311  -2.890
  184   HG13  ILE  25          HG11      ILE  25   0.532   3.603  -4.004
  185   HG21  ILE  25          HG21      ILE  25   4.601   2.383  -4.258
  186   HG22  ILE  25          HG22      ILE  25   3.636   1.987  -2.836
  187   HG23  ILE  25          HG23      ILE  25   4.171   3.645  -3.103
  188   HD11  ILE  25          HD11      ILE  25   0.787   1.446  -2.902
  189   HD12  ILE  25          HD12      ILE  25   0.289   2.698  -1.765
  190   HD13  ILE  25          HD13      ILE  25   1.965   2.148  -1.795
  191    H    ALA  26           HN       ALA  26   2.898   2.562  -7.393
  192    HA   ALA  26           HA       ALA  26   5.646   2.040  -7.529
  193    HB1  ALA  26           HB1      ALA  26   5.197   1.094  -9.734
  194    HB2  ALA  26           HB2      ALA  26   3.607   1.858  -9.744
  195    HB3  ALA  26           HB3      ALA  26   3.972   0.596  -8.568
  196    H    ASP  27           HN       ASP  27   3.664   4.458  -9.164
  197    HA   ASP  27           HA       ASP  27   5.754   5.442 -10.830
  198    HB2  ASP  27           HB2      ASP  27   3.402   5.805 -11.406
  199    HB3  ASP  27           HB1      ASP  27   3.181   6.769  -9.951
  200    H    LEU  28           HN       LEU  28   4.573   6.230  -7.633
  201    HA   LEU  28           HA       LEU  28   5.978   8.671  -7.324
  202    HB2  LEU  28           HB2      LEU  28   4.075   8.026  -5.904
  203    HB3  LEU  28           HB1      LEU  28   5.010   6.699  -5.248
  204    HG   LEU  28           HG       LEU  28   6.613   8.375  -4.307
  205   HD11  LEU  28          HD11      LEU  28   5.830  10.702  -4.113
  206   HD12  LEU  28          HD12      LEU  28   4.501  10.327  -5.208
  207   HD13  LEU  28          HD13      LEU  28   6.168  10.239  -5.779
  208   HD21  LEU  28          HD21      LEU  28   3.734   8.599  -3.433
  209   HD22  LEU  28          HD22      LEU  28   5.137   9.042  -2.465
  210   HD23  LEU  28          HD23      LEU  28   4.882   7.359  -2.924
  211    H    LEU  29           HN       LEU  29   6.746   5.307  -6.743
  212    HA   LEU  29           HA       LEU  29   9.315   5.928  -5.553
  213    HB2  LEU  29           HB2      LEU  29   8.139   3.266  -6.370
  214    HB3  LEU  29           HB1      LEU  29   9.564   3.503  -5.375
  215    HG   LEU  29           HG       LEU  29   6.774   4.348  -4.605
  216   HD11  LEU  29          HD11      LEU  29   6.931   1.935  -4.714
  217   HD12  LEU  29          HD12      LEU  29   6.862   2.466  -3.035
  218   HD13  LEU  29          HD13      LEU  29   8.399   1.965  -3.738
  219   HD21  LEU  29          HD21      LEU  29   8.440   5.722  -3.534
  220   HD22  LEU  29          HD22      LEU  29   9.363   4.297  -3.062
  221   HD23  LEU  29          HD23      LEU  29   7.775   4.592  -2.355
  222    H    ASN  30           HN       ASN  30   8.379   6.332  -8.528
  223    HA   ASN  30           HA       ASN  30   9.339   6.372 -10.580
  224    HB2  ASN  30           HB2      ASN  30  11.809   6.203  -8.853
  225    HB3  ASN  30           HB1      ASN  30  11.891   6.396 -10.598
  226   HD21  ASN  30          HD21      ASN  30  11.254   8.337 -11.521
  227   HD22  ASN  30          HD22      ASN  30  11.038   9.778 -10.586
  228    H    HIS  31           HN       HIS  31   8.496   3.822  -9.506
  229    HA   HIS  31           HA       HIS  31   8.459   1.631 -10.076
  230    HB2  HIS  31           HB2      HIS  31  10.074   2.588 -12.447
  231    HB3  HIS  31           HB1      HIS  31   9.344   0.995 -12.313
  232    HD1  HIS  31           HD1      HIS  31   8.759   3.894 -14.068
  233    HD2  HIS  31           HD2      HIS  31   6.314   1.618 -11.596
  234    HE1  HIS  31           HE1      HIS  31   6.408   4.477 -14.723
  235    HE2  HIS  31           HE2      HIS  31   4.943   3.058 -13.246
  236    H    ARG  32           HN       ARG  32  10.838   2.794  -8.539
  237    HA   ARG  32           HA       ARG  32  12.974   0.950  -9.112
  238    HB2  ARG  32           HB2      ARG  32  12.467   2.839  -6.813
  239    HB3  ARG  32           HB1      ARG  32  13.876   1.792  -6.889
  240    HG2  ARG  32           HG2      ARG  32  14.573   2.879  -8.963
  241    HG3  ARG  32           HG1      ARG  32  13.156   3.929  -8.888
  242    HD2  ARG  32           HD2      ARG  32  13.930   4.885  -6.812
  243    HD3  ARG  32           HD1      ARG  32  15.292   3.767  -6.771
  244    HE   ARG  32           HE       ARG  32  15.503   5.141  -9.155
  245   HH11  ARG  32          HH11      ARG  32  15.427   5.969  -5.762
  246   HH12  ARG  32          HH12      ARG  32  16.477   7.337  -5.937
  247   HH21  ARG  32          HH21      ARG  32  16.878   6.947  -9.402
  248   HH22  ARG  32          HH22      ARG  32  17.305   7.896  -8.012
  249    H    ALA  33           HN       ALA  33  10.115   0.952  -7.239
  250    HA   ALA  33           HA       ALA  33  10.868  -1.643  -6.085
  251    HB1  ALA  33           HB1      ALA  33  10.418   0.050  -4.371
  252    HB2  ALA  33           HB2      ALA  33   9.215  -1.238  -4.337
  253    HB3  ALA  33           HB3      ALA  33   8.819   0.321  -5.061
  254    H    HIS  34           HN       HIS  34   9.376  -3.313  -6.240
  255    HA   HIS  34           HA       HIS  34   7.432  -2.967  -8.416
  256    HB2  HIS  34           HB2      HIS  34   9.143  -4.665  -8.852
  257    HB3  HIS  34           HB1      HIS  34   8.784  -5.457  -7.321
  258    HD1  HIS  34           HD1      HIS  34   7.495  -5.068 -10.818
  259    HD2  HIS  34           HD2      HIS  34   6.504  -7.076  -7.314
  260    HE1  HIS  34           HE1      HIS  34   5.745  -6.751 -11.470
  261    HE2  HIS  34           HE2      HIS  34   5.005  -7.786  -9.291
  262    H    THR  35           HN       THR  35   5.315  -3.146  -8.005
  263    HA   THR  35           HA       THR  35   4.551  -4.001  -5.299
  264    HB   THR  35           HB       THR  35   2.524  -2.593  -5.621
  265    HG1  THR  35           HG1      THR  35   2.990  -0.934  -7.426
  266   HG21  THR  35          HG21      THR  35   5.099  -1.067  -6.009
  267   HG22  THR  35          HG22      THR  35   4.579  -1.770  -4.480
  268   HG23  THR  35          HG23      THR  35   3.629  -0.483  -5.227
  269    H    ASP  36           HN       ASP  36   2.793  -5.362  -5.027
  270    HA   ASP  36           HA       ASP  36   1.577  -6.466  -7.463
  271    HB2  ASP  36           HB2      ASP  36   2.678  -8.085  -5.153
  272    HB3  ASP  36           HB1      ASP  36   1.620  -8.743  -6.391
  273    H    VAL  37           HN       VAL  37  -0.527  -7.260  -7.194
  274    HA   VAL  37           HA       VAL  37  -1.865  -6.095  -4.860
  275    HB   VAL  37           HB       VAL  37  -3.053  -6.989  -7.496
  276   HG11  VAL  37          HG11      VAL  37  -5.086  -5.868  -6.746
  277   HG12  VAL  37          HG12      VAL  37  -4.317  -5.480  -5.208
  278   HG13  VAL  37          HG13      VAL  37  -4.635  -7.162  -5.634
  279   HG21  VAL  37          HG21      VAL  37  -1.624  -5.024  -7.749
  280   HG22  VAL  37          HG22      VAL  37  -2.502  -4.209  -6.455
  281   HG23  VAL  37          HG23      VAL  37  -3.323  -4.605  -7.966
  282    H    VAL  38           HN       VAL  38  -2.249  -7.461  -3.270
  283    HA   VAL  38           HA       VAL  38  -2.868 -10.264  -3.841
  284    HB   VAL  38           HB       VAL  38  -2.507  -8.876  -1.176
  285   HG11  VAL  38          HG11      VAL  38  -3.882 -10.882  -1.030
  286   HG12  VAL  38          HG12      VAL  38  -2.318 -11.118  -0.251
  287   HG13  VAL  38          HG13      VAL  38  -2.621 -11.810  -1.845
  288   HG21  VAL  38          HG21      VAL  38  -0.430  -8.822  -2.398
  289   HG22  VAL  38          HG22      VAL  38  -0.570 -10.539  -2.776
  290   HG23  VAL  38          HG23      VAL  38  -0.318 -10.020  -1.109
  291    H    GLY  39           HN       GLY  39  -4.972 -10.483  -4.414
  292    HA2  GLY  39           HA2      GLY  39  -6.879  -8.575  -3.266
  293    HA3  GLY  39           HA1      GLY  39  -7.089  -9.448  -4.774
  294    H    TYR  40           HN       TYR  40  -9.160  -9.389  -3.186
  295    HA   TYR  40           HA       TYR  40  -9.293 -11.597  -1.370
  296    HB2  TYR  40           HB2      TYR  40 -10.762  -9.683  -1.046
  297    HB3  TYR  40           HB1      TYR  40 -11.449  -9.899  -2.655
  298    HD1  TYR  40           HD1      TYR  40 -11.071 -11.671   0.613
  299    HD2  TYR  40           HD2      TYR  40 -13.412 -11.130  -2.905
  300    HE1  TYR  40           HE1      TYR  40 -12.828 -13.103   1.565
  301    HE2  TYR  40           HE2      TYR  40 -15.173 -12.559  -1.956
  302    HH   TYR  40           HH       TYR  40 -15.191 -13.509   1.332
  303    H    GLY  41           HN       GLY  41  -9.634 -13.663  -1.840
  304    HA2  GLY  41           HA2      GLY  41 -10.654 -14.322  -4.530
  305    HA3  GLY  41           HA1      GLY  41  -9.490 -15.313  -3.653
  306    H    GLY  42           HN       GLY  42 -10.277 -17.015  -2.611
  307    HA2  GLY  42           HA2      GLY  42 -13.170 -17.251  -2.339
  308    HA3  GLY  42           HA1      GLY  42 -11.997 -18.549  -2.163
  309    H    HIS  43           HN       HIS  43 -10.436 -18.142  -0.213
  310    HA   HIS  43           HA       HIS  43 -11.863 -16.990   2.060
  311    HB2  HIS  43           HB2      HIS  43 -11.039 -19.901   1.939
  312    HB3  HIS  43           HB1      HIS  43 -11.538 -19.067   3.402
  313    HD1  HIS  43           HD1      HIS  43 -14.054 -18.561   3.688
  314    HD2  HIS  43           HD2      HIS  43 -13.111 -20.622   0.200
  315    HE1  HIS  43           HE1      HIS  43 -16.244 -19.381   2.774
  316    HE2  HIS  43           HE2      HIS  43 -15.633 -20.756   0.754
  317    H    GLY  44           HN       GLY  44 -10.555 -16.320   3.691
  318    HA2  GLY  44           HA2      GLY  44  -8.653 -15.850   4.875
  319    HA3  GLY  44           HA1      GLY  44  -8.042 -17.394   4.317
  320    H    HIS  45           HN       HIS  45  -8.899 -14.593   2.337
  321    HA   HIS  45           HA       HIS  45  -6.048 -14.206   1.740
  322    HB2  HIS  45           HB2      HIS  45  -7.574 -15.637   0.029
  323    HB3  HIS  45           HB1      HIS  45  -7.920 -14.014  -0.559
  324    HD1  HIS  45           HD1      HIS  45  -6.170 -12.917  -2.009
  325    HD2  HIS  45           HD2      HIS  45  -4.788 -16.360  -0.122
  326    HE1  HIS  45           HE1      HIS  45  -3.923 -13.403  -3.031
  327    HE2  HIS  45           HE2      HIS  45  -3.042 -15.391  -1.759
  328    HA   PRO  46           HA       PRO  46  -8.328 -10.243   2.660
  329    HB2  PRO  46           HB2      PRO  46  -5.748  -9.590   3.942
  330    HB3  PRO  46           HB1      PRO  46  -7.388  -9.496   4.603
  331    HG2  PRO  46           HG2      PRO  46  -5.659 -11.384   5.410
  332    HG3  PRO  46           HG1      PRO  46  -7.396 -11.718   5.254
  333    HD2  PRO  46           HD2      PRO  46  -5.155 -12.428   3.395
  334    HD3  PRO  46           HD1      PRO  46  -6.554 -13.401   3.897
  335    H    THR  47           HN       THR  47  -8.089  -8.288   1.633
  336    HA   THR  47           HA       THR  47  -6.244  -8.265  -0.580
  337    HB   THR  47           HB       THR  47  -8.278  -6.173   0.216
  338    HG1  THR  47           HG1      THR  47  -8.575  -8.685  -0.776
  339   HG21  THR  47          HG21      THR  47  -6.915  -6.755  -2.425
  340   HG22  THR  47          HG22      THR  47  -6.637  -5.350  -1.400
  341   HG23  THR  47          HG23      THR  47  -8.200  -5.574  -2.184
  342    H    GLN  48           HN       GLN  48  -4.420  -7.131  -0.745
  343    HA   GLN  48           HA       GLN  48  -3.845  -4.774   0.759
  344    HB2  GLN  48           HB2      GLN  48  -2.039  -5.624   2.118
  345    HB3  GLN  48           HB1      GLN  48  -3.486  -6.548   2.484
  346    HG2  GLN  48           HG2      GLN  48  -2.636  -8.310   0.911
  347    HG3  GLN  48           HG1      GLN  48  -1.121  -7.409   0.843
  348   HE21  GLN  48          HE21      GLN  48   0.105  -9.009   1.809
  349   HE22  GLN  48          HE22      GLN  48  -0.061  -9.439   3.474
  350    H    VAL  49           HN       VAL  49  -1.688  -3.914   0.175
  351    HA   VAL  49           HA       VAL  49  -0.762  -5.098  -2.354
  352    HB   VAL  49           HB       VAL  49  -1.785  -2.913  -2.731
  353   HG11  VAL  49          HG11      VAL  49   0.324  -1.838  -0.861
  354   HG12  VAL  49          HG12      VAL  49  -1.411  -1.894  -0.551
  355   HG13  VAL  49          HG13      VAL  49  -0.778  -0.867  -1.837
  356   HG21  VAL  49          HG21      VAL  49   0.070  -1.845  -3.917
  357   HG22  VAL  49          HG22      VAL  49   0.068  -3.593  -4.157
  358   HG23  VAL  49          HG23      VAL  49   1.214  -2.856  -3.038
  359    H    ARG  50           HN       ARG  50   1.212  -5.851  -2.393
  360    HA   ARG  50           HA       ARG  50   2.994  -5.211  -0.164
  361    HB2  ARG  50           HB2      ARG  50   4.258  -7.184  -0.754
  362    HB3  ARG  50           HB1      ARG  50   2.556  -7.604  -0.652
  363    HG2  ARG  50           HG2      ARG  50   2.388  -7.573  -3.080
  364    HG3  ARG  50           HG1      ARG  50   4.084  -7.098  -3.199
  365    HD2  ARG  50           HD2      ARG  50   4.695  -9.206  -2.032
  366    HD3  ARG  50           HD1      ARG  50   2.998  -9.680  -2.083
  367    HE   ARG  50           HE       ARG  50   4.222  -9.032  -4.642
  368   HH11  ARG  50          HH11      ARG  50   3.306 -11.541  -2.370
  369   HH12  ARG  50          HH12      ARG  50   3.360 -12.803  -3.559
  370   HH21  ARG  50          HH21      ARG  50   4.296 -10.689  -6.188
  371   HH22  ARG  50          HH22      ARG  50   3.921 -12.322  -5.727
  372    H    ILE  51           HN       ILE  51   4.778  -4.054  -0.388
  373    HA   ILE  51           HA       ILE  51   5.622  -3.325  -3.111
  374    HB   ILE  51           HB       ILE  51   6.186  -1.780  -0.574
  375   HG12  ILE  51          HG12      ILE  51   4.090  -1.220  -2.686
  376   HG13  ILE  51          HG11      ILE  51   3.751  -1.860  -1.082
  377   HG21  ILE  51          HG21      ILE  51   6.794   0.019  -2.119
  378   HG22  ILE  51          HG22      ILE  51   6.446  -1.035  -3.487
  379   HG23  ILE  51          HG23      ILE  51   7.777  -1.419  -2.395
  380   HD11  ILE  51          HD11      ILE  51   5.010   0.812  -1.647
  381   HD12  ILE  51          HD12      ILE  51   4.550   0.177  -0.068
  382   HD13  ILE  51          HD13      ILE  51   3.311   0.541  -1.265
  383    H    VAL  52           HN       VAL  52   7.407  -4.325  -3.707
  384    HA   VAL  52           HA       VAL  52   9.348  -5.115  -1.641
  385    HB   VAL  52           HB       VAL  52   8.647  -6.679  -4.139
  386   HG11  VAL  52          HG11      VAL  52  10.023  -8.447  -3.225
  387   HG12  VAL  52          HG12      VAL  52  10.382  -7.472  -1.801
  388   HG13  VAL  52          HG13      VAL  52  10.974  -6.970  -3.386
  389   HG21  VAL  52          HG21      VAL  52   6.804  -6.746  -2.565
  390   HG22  VAL  52          HG22      VAL  52   7.900  -7.213  -1.265
  391   HG23  VAL  52          HG23      VAL  52   7.618  -8.309  -2.616
  392    H    ALA  53           HN       ALA  53  11.500  -4.909  -2.143
  393    HA   ALA  53           HA       ALA  53  12.122  -3.576  -4.694
  394    HB1  ALA  53           HB1      ALA  53  13.624  -3.339  -2.085
  395    HB2  ALA  53           HB2      ALA  53  12.485  -2.146  -2.708
  396    HB3  ALA  53           HB3      ALA  53  13.979  -2.480  -3.584
  397    HA   PRO  54           HA       PRO  54  14.278  -7.573  -4.886
  398    HB2  PRO  54           HB2      PRO  54  13.986  -7.986  -7.524
  399    HB3  PRO  54           HB1      PRO  54  12.644  -8.232  -6.393
  400    HG2  PRO  54           HG2      PRO  54  13.185  -5.936  -8.226
  401    HG3  PRO  54           HG1      PRO  54  11.644  -6.713  -7.826
  402    HD2  PRO  54           HD2      PRO  54  12.569  -4.354  -6.703
  403    HD3  PRO  54           HD1      PRO  54  11.345  -5.412  -5.976
  404    H    HIS  55           HN       HIS  55  16.235  -8.254  -5.838
  405    HA   HIS  55           HA       HIS  55  18.323  -8.106  -6.703
  406    HB2  HIS  55           HB2      HIS  55  17.399  -5.636  -8.186
  407    HB3  HIS  55           HB1      HIS  55  18.785  -6.650  -8.572
  408    HD1  HIS  55           HD1      HIS  55  15.454  -6.050  -9.630
  409    HD2  HIS  55           HD2      HIS  55  17.791  -9.454  -9.192
  410    HE1  HIS  55           HE1      HIS  55  14.338  -7.820 -11.019
  411    HE2  HIS  55           HE2      HIS  55  15.809  -9.851 -10.801
  412    H    ALA  56           HN       ALA  56  17.423  -6.645  -4.285
  413    HA   ALA  56           HA       ALA  56  19.032  -4.271  -4.136
  414    HB1  ALA  56           HB1      ALA  56  17.710  -5.842  -1.929
  415    HB2  ALA  56           HB2      ALA  56  16.989  -4.496  -2.811
  416    HB3  ALA  56           HB3      ALA  56  18.399  -4.225  -1.787
  417    H    GLU  57           HN       GLU  57  21.143  -4.184  -3.727
  418    HA   GLU  57           HA       GLU  57  22.640  -6.582  -3.366
  419    HB2  GLU  57           HB2      GLU  57  23.341  -4.421  -4.588
  420    HB3  GLU  57           HB1      GLU  57  23.714  -3.793  -2.990
  421    HG2  GLU  57           HG2      GLU  57  25.711  -4.647  -4.030
  422    HG3  GLU  57           HG1      GLU  57  25.283  -5.645  -2.640
  423    H    HIS  58           HN       HIS  58  23.179  -7.549  -1.525
  424    HA   HIS  58           HA       HIS  58  22.876  -6.028   0.978
  425    HB2  HIS  58           HB2      HIS  58  22.050  -8.193   2.007
  426    HB3  HIS  58           HB1      HIS  58  20.947  -7.410   0.885
  427    HD1  HIS  58           HD1      HIS  58  20.490  -8.616  -1.370
  428    HD2  HIS  58           HD2      HIS  58  22.978 -10.719   1.218
  429    HE1  HIS  58           HE1      HIS  58  20.585 -10.960  -2.274
  430    HE2  HIS  58           HE2      HIS  58  22.208 -12.174  -0.781
  431    H    VAL  59           HN       VAL  59  25.290  -6.240  -0.291
  432    HA   VAL  59           HA       VAL  59  26.809  -8.412   0.857
  433    HB   VAL  59           HB       VAL  59  27.784  -5.939  -0.592
  434   HG11  VAL  59          HG11      VAL  59  29.522  -6.866   0.816
  435   HG12  VAL  59          HG12      VAL  59  29.873  -7.216  -0.877
  436   HG13  VAL  59          HG13      VAL  59  29.222  -8.479   0.168
  437   HG21  VAL  59          HG21      VAL  59  28.079  -7.440  -2.508
  438   HG22  VAL  59          HG22      VAL  59  26.389  -7.340  -2.013
  439   HG23  VAL  59          HG23      VAL  59  27.350  -8.753  -1.583
  440    H    ARG  60           HN       ARG  60  26.631  -4.895   1.297
  441    HA   ARG  60           HA       ARG  60  27.574  -5.227   4.035
  442    HB2  ARG  60           HB2      ARG  60  29.205  -3.383   3.792
  443    HB3  ARG  60           HB1      ARG  60  29.613  -4.754   2.772
  444    HG2  ARG  60           HG2      ARG  60  28.658  -3.581   0.838
  445    HG3  ARG  60           HG1      ARG  60  28.296  -2.198   1.875
  446    HD2  ARG  60           HD2      ARG  60  30.369  -1.854   0.623
  447    HD3  ARG  60           HD1      ARG  60  30.672  -1.928   2.358
  448    HE   ARG  60           HE       ARG  60  31.064  -4.306   0.669
  449   HH11  ARG  60          HH11      ARG  60  32.346  -1.885   2.839
  450   HH12  ARG  60          HH12      ARG  60  33.855  -2.707   3.067
  451   HH21  ARG  60          HH21      ARG  60  33.038  -5.395   0.971
  452   HH22  ARG  60          HH22      ARG  60  34.250  -4.706   2.008
  453    H    GLY  61           HN       GLY  61  27.072  -3.414   5.400
  454    HA2  GLY  61           HA2      GLY  61  25.949  -1.369   5.860
  455    HA3  GLY  61           HA1      GLY  61  25.185  -1.467   4.276
  456    H    TYR  62           HN       TYR  62  23.084  -1.984   4.318
  457    HA   TYR  62           HA       TYR  62  22.133  -3.613   6.572
  458    HB2  TYR  62           HB2      TYR  62  20.486  -1.973   4.620
  459    HB3  TYR  62           HB1      TYR  62  19.885  -2.806   6.054
  460    HD1  TYR  62           HD2      TYR  62  21.145  -2.088   8.306
  461    HD2  TYR  62           HD1      TYR  62  20.881   0.302   4.791
  462    HE1  TYR  62           HE2      TYR  62  21.536  -0.064   9.653
  463    HE2  TYR  62           HE1      TYR  62  21.274   2.325   6.131
  464    HH   TYR  62           HH       TYR  62  20.991   3.056   8.478
  465    H    ALA  63           HN       ALA  63  21.663  -5.676   6.198
  466    HA   ALA  63           HA       ALA  63  21.748  -6.604   3.426
  467    HB1  ALA  63           HB1      ALA  63  21.948  -8.183   5.987
  468    HB2  ALA  63           HB2      ALA  63  23.312  -7.608   5.028
  469    HB3  ALA  63           HB3      ALA  63  22.203  -8.802   4.355
  470    H    HIS  64           HN       HIS  64  19.379  -5.391   4.842
  471    HA   HIS  64           HA       HIS  64  17.520  -7.663   4.696
  472    HB2  HIS  64           HB2      HIS  64  17.164  -4.962   6.021
  473    HB3  HIS  64           HB1      HIS  64  15.944  -6.233   5.968
  474    HD1  HIS  64           HD1      HIS  64  16.311  -8.291   7.501
  475    HD2  HIS  64           HD2      HIS  64  19.211  -5.337   7.881
  476    HE1  HIS  64           HE1      HIS  64  17.575  -8.850   9.604
  477    HE2  HIS  64           HE2      HIS  64  19.354  -7.070   9.793
  478    HA   PRO  65           HA       PRO  65  16.332  -5.776   0.766
  479    HB2  PRO  65           HB2      PRO  65  14.405  -8.019   0.858
  480    HB3  PRO  65           HB1      PRO  65  15.562  -7.584  -0.403
  481    HG2  PRO  65           HG2      PRO  65  15.962  -9.712   1.156
  482    HG3  PRO  65           HG1      PRO  65  17.312  -8.685   0.637
  483    HD2  PRO  65           HD2      PRO  65  15.895  -8.765   3.274
  484    HD3  PRO  65           HD1      PRO  65  17.630  -8.595   2.929
  485    H    LEU  66           HN       LEU  66  14.750  -4.312   0.386
  486    HA   LEU  66           HA       LEU  66  13.010  -3.607   2.510
  487    HB2  LEU  66           HB2      LEU  66  14.068  -2.065   0.806
  488    HB3  LEU  66           HB1      LEU  66  12.875  -2.634  -0.340
  489    HG   LEU  66           HG       LEU  66  12.059  -1.349   2.259
  490   HD11  LEU  66          HD11      LEU  66  11.865   0.760   1.012
  491   HD12  LEU  66          HD12      LEU  66  12.658   0.002  -0.370
  492   HD13  LEU  66          HD13      LEU  66  13.537   0.217   1.145
  493   HD21  LEU  66          HD21      LEU  66  10.695  -1.625  -0.422
  494   HD22  LEU  66          HD22      LEU  66  10.026  -0.819   0.997
  495   HD23  LEU  66          HD23      LEU  66  10.323  -2.558   1.029
  496    H    ASN  67           HN       ASN  67  11.172  -4.547   3.015
  497    HA   ASN  67           HA       ASN  67   9.304  -5.257   0.870
  498    HB2  ASN  67           HB2      ASN  67  10.413  -7.362   1.636
  499    HB3  ASN  67           HB1      ASN  67   9.852  -7.028   3.275
  500   HD21  ASN  67          HD21      ASN  67   7.652  -7.257   3.753
  501   HD22  ASN  67          HD22      ASN  67   6.575  -8.123   2.714
  502    H    LEU  68           HN       LEU  68   7.097  -4.916   1.458
  503    HA   LEU  68           HA       LEU  68   6.593  -3.715   4.023
  504    HB2  LEU  68           HB2      LEU  68   7.482  -1.777   2.960
  505    HB3  LEU  68           HB1      LEU  68   6.639  -2.120   1.465
  506    HG   LEU  68           HG       LEU  68   4.493  -1.575   2.554
  507   HD11  LEU  68          HD11      LEU  68   5.078  -2.165   4.849
  508   HD12  LEU  68          HD12      LEU  68   4.472  -0.514   4.746
  509   HD13  LEU  68          HD13      LEU  68   6.202  -0.808   4.915
  510   HD21  LEU  68          HD21      LEU  68   4.799   0.801   2.618
  511   HD22  LEU  68          HD22      LEU  68   5.850   0.137   1.366
  512   HD23  LEU  68          HD23      LEU  68   6.526   0.615   2.921
  513    H    ALA  69           HN       ALA  69   4.604  -4.241   4.592
  514    HA   ALA  69           HA       ALA  69   2.685  -4.954   2.466
  515    HB1  ALA  69           HB1      ALA  69   2.732  -5.914   5.323
  516    HB2  ALA  69           HB2      ALA  69   3.305  -6.825   3.927
  517    HB3  ALA  69           HB3      ALA  69   1.595  -6.416   4.072
  518    H    LEU  70           HN       LEU  70   1.348  -3.328   2.114
  519    HA   LEU  70           HA       LEU  70   0.511  -1.607   4.325
  520    HB2  LEU  70           HB2      LEU  70   0.097  -1.403   1.338
  521    HB3  LEU  70           HB1      LEU  70  -0.540  -0.250   2.494
  522    HG   LEU  70           HG       LEU  70   2.402  -0.799   2.055
  523   HD11  LEU  70          HD11      LEU  70   0.674   1.483   1.124
  524   HD12  LEU  70          HD12      LEU  70   1.385   0.231   0.106
  525   HD13  LEU  70          HD13      LEU  70   2.426   1.375   0.954
  526   HD21  LEU  70          HD21      LEU  70   2.688   1.278   3.359
  527   HD22  LEU  70          HD22      LEU  70   1.955  -0.018   4.302
  528   HD23  LEU  70          HD23      LEU  70   0.954   1.293   3.677
  529    H    THR  71           HN       THR  71  -1.275  -2.161   5.410
  530    HA   THR  71           HA       THR  71  -3.522  -3.243   3.849
  531    HB   THR  71           HB       THR  71  -4.242  -4.477   5.881
  532    HG1  THR  71           HG1      THR  71  -1.787  -3.445   6.899
  533   HG21  THR  71          HG21      THR  71  -2.932  -5.690   4.230
  534   HG22  THR  71          HG22      THR  71  -2.490  -6.220   5.852
  535   HG23  THR  71          HG23      THR  71  -1.434  -5.120   4.966
  536    H    TRP  72           HN       TRP  72  -5.614  -2.513   4.532
  537    HA   TRP  72           HA       TRP  72  -5.501  -0.073   6.167
  538    HB2  TRP  72           HB2      TRP  72  -6.858  -0.478   3.501
  539    HB3  TRP  72           HB1      TRP  72  -7.274   0.851   4.587
  540    HD1  TRP  72           HD1      TRP  72  -5.355   2.732   5.001
  541    HE1  TRP  72           HE1      TRP  72  -3.387   3.481   3.523
  542    HE3  TRP  72           HE3      TRP  72  -5.149  -1.279   1.833
  543    HZ2  TRP  72           HZ2      TRP  72  -1.950   2.509   1.304
  544    HZ3  TRP  72           HZ3      TRP  72  -3.445  -1.286   0.058
  545    HH2  TRP  72           HH2      TRP  72  -1.879   0.571  -0.195
  546    H    ASN  73           HN       ASN  73  -7.348   0.506   7.262
  547    HA   ASN  73           HA       ASN  73  -8.728  -1.582   8.504
  548    HB2  ASN  73           HB2      ASN  73  -9.134   1.400   8.431
  549    HB3  ASN  73           HB1      ASN  73 -10.188   0.350   9.372
  550   HD21  ASN  73          HD21      ASN  73  -8.235   2.451  10.175
  551   HD22  ASN  73          HD22      ASN  73  -7.184   1.664  11.305
  552    H    THR  74           HN       THR  74 -10.716  -2.404   8.308
  553    HA   THR  74           HA       THR  74 -11.829  -2.649   5.762
  554    HB   THR  74           HB       THR  74 -13.434  -3.197   8.239
  555    HG1  THR  74           HG1      THR  74 -12.008  -4.607   8.939
  556   HG21  THR  74          HG21      THR  74 -14.329  -3.750   5.982
  557   HG22  THR  74          HG22      THR  74 -14.132  -5.163   7.017
  558   HG23  THR  74          HG23      THR  74 -12.960  -4.833   5.742
  559    H    ASP  75           HN       ASP  75 -12.532  -0.427   8.357
  560    HA   ASP  75           HA       ASP  75 -15.052   0.508   7.468
  561    HB2  ASP  75           HB2      ASP  75 -12.874   1.886   9.054
  562    HB3  ASP  75           HB1      ASP  75 -14.438   2.619   8.726
  563    H    GLU  76           HN       GLU  76 -11.762   1.620   6.897
  564    HA   GLU  76           HA       GLU  76 -12.290   3.808   5.266
  565    HB2  GLU  76           HB2      GLU  76  -9.954   1.901   5.079
  566    HB3  GLU  76           HB1      GLU  76 -10.012   3.527   4.419
  567    HG2  GLU  76           HG2      GLU  76 -10.151   2.797   7.330
  568    HG3  GLU  76           HG1      GLU  76  -8.744   3.437   6.488
  569    H    ILE  77           HN       ILE  77 -11.643   0.434   4.347
  570    HA   ILE  77           HA       ILE  77 -11.817   0.679   1.616
  571    HB   ILE  77           HB       ILE  77 -12.747  -1.642   3.315
  572   HG12  ILE  77          HG12      ILE  77 -10.059  -1.028   2.047
  573   HG13  ILE  77          HG11      ILE  77 -10.426  -1.030   3.771
  574   HG21  ILE  77          HG21      ILE  77 -13.600  -1.806   1.032
  575   HG22  ILE  77          HG22      ILE  77 -12.359  -3.022   1.330
  576   HG23  ILE  77          HG23      ILE  77 -11.972  -1.575   0.401
  577   HD11  ILE  77          HD11      ILE  77  -9.232  -3.039   3.133
  578   HD12  ILE  77          HD12      ILE  77 -10.478  -3.426   1.947
  579   HD13  ILE  77          HD13      ILE  77 -10.865  -3.437   3.666
  580    H    GLU  78           HN       GLU  78 -14.509   0.089   3.884
  581    HA   GLU  78           HA       GLU  78 -16.496  -0.055   1.858
  582    HB2  GLU  78           HB2      GLU  78 -16.864  -0.987   4.087
  583    HB3  GLU  78           HB1      GLU  78 -16.746   0.616   4.798
  584    HG2  GLU  78           HG2      GLU  78 -18.765   1.308   3.672
  585    HG3  GLU  78           HG1      GLU  78 -18.863  -0.243   2.840
  586    H    ARG  79           HN       ARG  79 -15.183   2.557   3.788
  587    HA   ARG  79           HA       ARG  79 -17.048   4.544   3.121
  588    HB2  ARG  79           HB2      ARG  79 -14.181   4.683   4.039
  589    HB3  ARG  79           HB1      ARG  79 -15.155   6.123   3.766
  590    HG2  ARG  79           HG2      ARG  79 -16.712   5.465   5.466
  591    HG3  ARG  79           HG1      ARG  79 -15.912   3.906   5.656
  592    HD2  ARG  79           HD2      ARG  79 -13.932   4.982   6.523
  593    HD3  ARG  79           HD1      ARG  79 -14.622   6.576   6.211
  594    HE   ARG  79           HE       ARG  79 -16.458   5.516   7.827
  595   HH11  ARG  79          HH11      ARG  79 -12.957   5.568   8.124
  596   HH12  ARG  79          HH12      ARG  79 -12.997   5.612   9.861
  597   HH21  ARG  79          HH21      ARG  79 -16.495   5.557  10.100
  598   HH22  ARG  79          HH22      ARG  79 -15.002   5.591  10.983
  599    H    LEU  80           HN       LEU  80 -14.322   3.273   1.373
  600    HA   LEU  80           HA       LEU  80 -13.880   5.480  -0.335
  601    HB2  LEU  80           HB2      LEU  80 -13.321   2.550  -0.772
  602    HB3  LEU  80           HB1      LEU  80 -12.737   3.838  -1.807
  603    HG   LEU  80           HG       LEU  80 -12.001   3.374   1.084
  604   HD11  LEU  80          HD11      LEU  80  -9.762   3.011   0.174
  605   HD12  LEU  80          HD12      LEU  80 -10.394   3.205  -1.458
  606   HD13  LEU  80          HD13      LEU  80 -10.924   1.849  -0.463
  607   HD21  LEU  80          HD21      LEU  80 -12.100   5.753   0.720
  608   HD22  LEU  80          HD22      LEU  80 -11.202   5.601  -0.788
  609   HD23  LEU  80          HD23      LEU  80 -10.410   5.252   0.747
  610    H    MET  81           HN       MET  81 -16.399   3.158  -0.268
  611    HA   MET  81           HA       MET  81 -17.084   3.501  -3.064
  612    HB2  MET  81           HB2      MET  81 -18.467   2.037  -0.812
  613    HB3  MET  81           HB1      MET  81 -19.094   2.111  -2.451
  614    HG2  MET  81           HG2      MET  81 -16.480   0.882  -1.586
  615    HG3  MET  81           HG1      MET  81 -17.941   0.024  -2.085
  616    HE1  MET  81           HE1      MET  81 -18.166   1.058  -5.883
  617    HE2  MET  81           HE2      MET  81 -18.848   1.980  -4.545
  618    HE3  MET  81           HE3      MET  81 -18.966   0.222  -4.551
  619    H    GLU  82           HN       GLU  82 -17.345   5.445  -0.491
  620    HA   GLU  82           HA       GLU  82 -19.992   6.497  -1.207
  621    HB2  GLU  82           HB2      GLU  82 -18.221   7.191   1.156
  622    HB3  GLU  82           HB1      GLU  82 -19.858   7.769   0.893
  623    HG2  GLU  82           HG2      GLU  82 -19.036   4.921   1.394
  624    HG3  GLU  82           HG1      GLU  82 -19.798   6.006   2.548
  625    H    ALA  83           HN       ALA  83 -20.139   8.954  -1.298
  626    HA   ALA  83           HA       ALA  83 -18.326  10.016  -3.152
  627    HB1  ALA  83           HB1      ALA  83 -19.399  12.174  -2.735
  628    HB2  ALA  83           HB2      ALA  83 -20.161  11.520  -1.286
  629    HB3  ALA  83           HB3      ALA  83 -20.594  10.885  -2.872
  630    H    ASP  84           HN       ASP  84 -18.573  10.536   0.351
  631    HA   ASP  84           HA       ASP  84 -16.369  12.270   0.607
  632    HB2  ASP  84           HB2      ASP  84 -17.581  10.364   2.626
  633    HB3  ASP  84           HB1      ASP  84 -16.382  11.590   3.017
  634    H    GLY  85           HN       GLY  85 -16.529   8.943  -0.031
  635    HA2  GLY  85           HA2      GLY  85 -14.039   8.216   1.223
  636    HA3  GLY  85           HA1      GLY  85 -15.017   7.213   0.151
  637    H    ALA  86           HN       ALA  86 -15.156   8.515  -2.159
  638    HA   ALA  86           HA       ALA  86 -12.722   8.333  -3.412
  639    HB1  ALA  86           HB1      ALA  86 -14.866   8.431  -4.587
  640    HB2  ALA  86           HB2      ALA  86 -13.709   9.585  -5.248
  641    HB3  ALA  86           HB3      ALA  86 -15.002  10.143  -4.187
  642    H    ALA  87           HN       ALA  87 -14.223  11.221  -1.988
  643    HA   ALA  87           HA       ALA  87 -12.239  13.073  -2.649
  644    HB1  ALA  87           HB1      ALA  87 -13.111  14.413  -0.800
  645    HB2  ALA  87           HB2      ALA  87 -13.983  13.010  -0.189
  646    HB3  ALA  87           HB3      ALA  87 -14.419  13.707  -1.748
  647    H    ARG  88           HN       ARG  88 -12.482  10.825   0.040
  648    HA   ARG  88           HA       ARG  88 -10.262  11.768   1.536
  649    HB2  ARG  88           HB2      ARG  88 -12.106  10.286   2.380
  650    HB3  ARG  88           HB1      ARG  88 -11.436   8.978   1.423
  651    HG2  ARG  88           HG2      ARG  88 -10.648   8.557   3.558
  652    HG3  ARG  88           HG1      ARG  88  -9.287   9.356   2.773
  653    HD2  ARG  88           HD2      ARG  88 -11.267  10.985   4.301
  654    HD3  ARG  88           HD1      ARG  88 -10.052  10.061   5.176
  655    HE   ARG  88           HE       ARG  88  -8.373  11.320   3.854
  656   HH11  ARG  88          HH11      ARG  88 -11.594  12.652   4.235
  657   HH12  ARG  88          HH12      ARG  88 -11.057  14.297   4.153
  658   HH21  ARG  88          HH21      ARG  88  -7.669  13.513   3.799
  659   HH22  ARG  88          HH22      ARG  88  -8.841  14.785   3.904
  660    H    PHE  89           HN       PHE  89 -10.680   9.489  -1.084
  661    HA   PHE  89           HA       PHE  89  -8.100   8.315  -0.938
  662    HB2  PHE  89           HB2      PHE  89 -10.097   7.256  -2.019
  663    HB3  PHE  89           HB1      PHE  89  -9.954   8.428  -3.326
  664    HD1  PHE  89           HD2      PHE  89  -7.819   5.963  -1.506
  665    HD2  PHE  89           HD1      PHE  89  -8.851   7.748  -5.231
  666    HE1  PHE  89           HE2      PHE  89  -6.244   4.475  -2.652
  667    HE2  PHE  89           HE1      PHE  89  -7.279   6.255  -6.383
  668    HZ   PHE  89           HZ       PHE  89  -5.972   4.613  -5.095
  669    H    GLU  90           HN       GLU  90  -9.472  10.957  -2.887
  670    HA   GLU  90           HA       GLU  90  -7.251  11.414  -4.527
  671    HB2  GLU  90           HB2      GLU  90  -9.280  13.380  -3.440
  672    HB3  GLU  90           HB1      GLU  90  -8.116  13.762  -4.697
  673    HG2  GLU  90           HG2      GLU  90  -9.135  11.994  -6.107
  674    HG3  GLU  90           HG1      GLU  90 -10.362  11.764  -4.861
  675    H    ARG  91           HN       ARG  91  -8.107  12.719  -1.368
  676    HA   ARG  91           HA       ARG  91  -5.881  14.427  -1.084
  677    HB2  ARG  91           HB2      ARG  91  -7.768  14.832   0.286
  678    HB3  ARG  91           HB1      ARG  91  -7.807  13.173   0.861
  679    HG2  ARG  91           HG2      ARG  91  -7.033  14.670   2.590
  680    HG3  ARG  91           HG1      ARG  91  -5.757  13.552   2.118
  681    HD2  ARG  91           HD2      ARG  91  -4.801  15.330   0.683
  682    HD3  ARG  91           HD1      ARG  91  -6.029  16.440   1.295
  683    HE   ARG  91           HE       ARG  91  -4.987  15.689   3.576
  684   HH11  ARG  91          HH11      ARG  91  -3.305  16.428   0.589
  685   HH12  ARG  91          HH12      ARG  91  -1.829  16.879   1.385
  686   HH21  ARG  91          HH21      ARG  91  -3.057  16.288   4.619
  687   HH22  ARG  91          HH22      ARG  91  -1.697  16.823   3.681
  688    H    TYR  92           HN       TYR  92  -6.316  11.012  -0.579
  689    HA   TYR  92           HA       TYR  92  -4.053  10.684   1.157
  690    HB2  TYR  92           HB2      TYR  92  -6.024   9.123   1.101
  691    HB3  TYR  92           HB1      TYR  92  -5.493   8.591  -0.490
  692    HD1  TYR  92           HD1      TYR  92  -4.376   8.804   3.056
  693    HD2  TYR  92           HD2      TYR  92  -3.964   6.837  -0.695
  694    HE1  TYR  92           HE1      TYR  92  -2.910   7.129   4.101
  695    HE2  TYR  92           HE2      TYR  92  -2.501   5.155   0.341
  696    HH   TYR  92           HH       TYR  92  -2.171   4.813   3.697
  697    H    LEU  93           HN       LEU  93  -4.701  10.404  -2.288
  698    HA   LEU  93           HA       LEU  93  -2.237   9.267  -3.050
  699    HB2  LEU  93           HB2      LEU  93  -4.037  11.102  -4.640
  700    HB3  LEU  93           HB1      LEU  93  -2.758  10.104  -5.306
  701    HG   LEU  93           HG       LEU  93  -5.266   9.077  -3.970
  702   HD11  LEU  93          HD11      LEU  93  -4.448   9.142  -6.868
  703   HD12  LEU  93          HD12      LEU  93  -5.727  10.099  -6.122
  704   HD13  LEU  93          HD13      LEU  93  -5.881   8.345  -6.223
  705   HD21  LEU  93          HD21      LEU  93  -2.987   7.632  -5.318
  706   HD22  LEU  93          HD22      LEU  93  -4.519   6.888  -4.866
  707   HD23  LEU  93          HD23      LEU  93  -3.451   7.530  -3.619
  708    H    ALA  94           HN       ALA  94  -3.329  12.616  -2.798
  709    HA   ALA  94           HA       ALA  94  -0.932  13.797  -3.708
  710    HB1  ALA  94           HB1      ALA  94  -3.081  14.950  -1.938
  711    HB2  ALA  94           HB2      ALA  94  -3.071  14.968  -3.702
  712    HB3  ALA  94           HB3      ALA  94  -1.848  15.868  -2.804
  713    H    ALA  95           HN       ALA  95  -1.733  12.326  -0.722
  714    HA   ALA  95           HA       ALA  95   0.389  13.789   0.679
  715    HB1  ALA  95           HB1      ALA  95  -1.794  13.731   1.779
  716    HB2  ALA  95           HB2      ALA  95  -0.562  12.904   2.733
  717    HB3  ALA  95           HB3      ALA  95  -1.733  11.970   1.802
  718    H    LEU  96           HN       LEU  96   0.091  11.065  -1.119
  719    HA   LEU  96           HA       LEU  96   1.190   8.999   0.327
  720    HB2  LEU  96           HB2      LEU  96   1.474   9.699  -2.579
  721    HB3  LEU  96           HB1      LEU  96   2.203   8.257  -1.903
  722    HG   LEU  96           HG       LEU  96  -0.746   8.867  -1.798
  723   HD11  LEU  96          HD11      LEU  96   0.772   7.034  -3.647
  724   HD12  LEU  96          HD12      LEU  96   0.019   8.562  -4.101
  725   HD13  LEU  96          HD13      LEU  96  -0.981   7.210  -3.568
  726   HD21  LEU  96          HD21      LEU  96  -0.051   7.389  -0.018
  727   HD22  LEU  96          HD22      LEU  96   0.835   6.380  -1.160
  728   HD23  LEU  96          HD23      LEU  96  -0.924   6.466  -1.240
  729    HA   PRO  97           HA       PRO  97   5.719  10.418  -0.827
  730    HB2  PRO  97           HB2      PRO  97   5.988  13.144  -1.110
  731    HB3  PRO  97           HB1      PRO  97   5.879  12.008  -2.457
  732    HG2  PRO  97           HG2      PRO  97   3.737  13.700  -1.226
  733    HG3  PRO  97           HG1      PRO  97   4.062  13.376  -2.941
  734    HD2  PRO  97           HD2      PRO  97   2.094  12.114  -1.643
  735    HD3  PRO  97           HD1      PRO  97   3.082  11.269  -2.853
  736    H    ARG  98           HN       ARG  98   3.472  12.406   0.962
  737    HA   ARG  98           HA       ARG  98   5.416  13.323   2.872
  738    HB2  ARG  98           HB2      ARG  98   2.395  13.412   2.895
  739    HB3  ARG  98           HB1      ARG  98   3.417  14.174   4.103
  740    HG2  ARG  98           HG2      ARG  98   3.422  14.828   1.163
  741    HG3  ARG  98           HG1      ARG  98   2.602  15.759   2.418
  742    HD2  ARG  98           HD2      ARG  98   5.572  15.287   2.168
  743    HD3  ARG  98           HD1      ARG  98   4.716  16.799   1.878
  744    HE   ARG  98           HE       ARG  98   4.055  16.235   4.424
  745   HH11  ARG  98          HH11      ARG  98   7.120  16.428   2.752
  746   HH12  ARG  98          HH12      ARG  98   8.016  16.846   4.178
  747   HH21  ARG  98          HH21      ARG  98   5.224  16.798   6.300
  748   HH22  ARG  98          HH22      ARG  98   6.935  17.067   6.197
  749    H    LYS  99           HN       LYS  99   2.910  10.855   2.776
  750    HA   LYS  99           HA       LYS  99   3.283  10.059   5.508
  751    HB2  LYS  99           HB2      LYS  99   1.189   9.776   3.956
  752    HB3  LYS  99           HB1      LYS  99   2.007   8.312   3.430
  753    HG2  LYS  99           HG2      LYS  99   1.972   7.406   5.632
  754    HG3  LYS  99           HG1      LYS  99   1.392   8.930   6.306
  755    HD2  LYS  99           HD2      LYS  99  -0.677   8.684   4.962
  756    HD3  LYS  99           HD1      LYS  99  -0.100   7.107   4.422
  757    HE2  LYS  99           HE2      LYS  99  -1.689   6.924   6.287
  758    HE3  LYS  99           HE1      LYS  99  -0.098   6.290   6.702
  759    HZ1  LYS  99           HZ1      LYS  99  -1.115   8.979   7.448
  760    HZ2  LYS  99           HZ2      LYS  99   0.384   8.330   7.878
  761    HZ3  LYS  99           HZ3      LYS  99  -1.037   7.643   8.480
  762    H    LEU 100           HN       LEU 100   4.493   9.140   2.385
  763    HA   LEU 100           HA       LEU 100   5.740   6.720   3.010
  764    HB2  LEU 100           HB2      LEU 100   5.419   7.665   0.717
  765    HB3  LEU 100           HB1      LEU 100   6.681   8.828   1.065
  766    HG   LEU 100           HG       LEU 100   8.214   6.820   1.446
  767   HD11  LEU 100          HD11      LEU 100   7.551   4.785   0.218
  768   HD12  LEU 100          HD12      LEU 100   5.929   5.452   0.043
  769   HD13  LEU 100          HD13      LEU 100   6.565   5.087   1.645
  770   HD21  LEU 100          HD21      LEU 100   8.357   8.279  -0.502
  771   HD22  LEU 100          HD22      LEU 100   7.108   7.334  -1.311
  772   HD23  LEU 100          HD23      LEU 100   8.667   6.600  -0.941
  773    H    ALA 101           HN       ALA 101   6.984  10.042   3.037
  774    HA   ALA 101           HA       ALA 101   9.565   9.474   3.960
  775    HB1  ALA 101           HB1      ALA 101   9.684  11.825   4.571
  776    HB2  ALA 101           HB2      ALA 101   7.931  11.964   4.435
  777    HB3  ALA 101           HB3      ALA 101   8.904  11.633   3.001
  778    H    ALA 102           HN       ALA 102   6.533   9.930   5.642
  779    HA   ALA 102           HA       ALA 102   7.589  10.124   8.262
  780    HB1  ALA 102           HB1      ALA 102   4.855   9.217   7.369
  781    HB2  ALA 102           HB2      ALA 102   5.337  10.879   7.706
  782    HB3  ALA 102           HB3      ALA 102   5.302   9.690   9.009
  783    H    TRP 103           HN       TRP 103   6.492   7.397   6.295
  784    HA   TRP 103           HA       TRP 103   6.750   5.448   8.346
  785    HB2  TRP 103           HB2      TRP 103   6.695   5.201   5.330
  786    HB3  TRP 103           HB1      TRP 103   6.787   3.808   6.404
  787    HD1  TRP 103           HD1      TRP 103   4.606   4.923   8.564
  788    HE1  TRP 103           HE1      TRP 103   2.117   4.847   7.900
  789    HE3  TRP 103           HE3      TRP 103   5.134   4.655   3.495
  790    HZ2  TRP 103           HZ2      TRP 103   0.590   4.690   5.529
  791    HZ3  TRP 103           HZ3      TRP 103   3.114   4.547   2.099
  792    HH2  TRP 103           HH2      TRP 103   0.888   4.564   3.098
  793    H    GLU 104           HN       GLU 104   8.919   6.570   5.779
  794    HA   GLU 104           HA       GLU 104  10.964   4.705   6.106
  795    HB2  GLU 104           HB2      GLU 104  11.185   7.615   5.318
  796    HB3  GLU 104           HB1      GLU 104  12.474   6.438   5.149
  797    HG2  GLU 104           HG2      GLU 104  10.987   5.129   3.629
  798    HG3  GLU 104           HG1      GLU 104   9.835   6.467   3.704
  799    H    ASN 105           HN       ASN 105  10.571   7.870   7.612
  800    HA   ASN 105           HA       ASN 105  12.929   7.804   9.140
  801    HB2  ASN 105           HB2      ASN 105  11.706   9.875   8.621
  802    HB3  ASN 105           HB1      ASN 105  10.371   9.341   9.635
  803   HD21  ASN 105          HD21      ASN 105  13.808   8.978  10.384
  804   HD22  ASN 105          HD22      ASN 105  13.788  10.030  11.761
  805    H    ALA 106           HN       ALA 106   9.711   6.572   9.790
  806    HA   ALA 106           HA       ALA 106  10.255   6.306  12.626
  807    HB1  ALA 106           HB1      ALA 106   8.035   7.003  11.822
  808    HB2  ALA 106           HB2      ALA 106   7.972   5.555  12.823
  809    HB3  ALA 106           HB3      ALA 106   7.833   5.421  11.072
  810    H    ARG 107           HN       ARG 107   9.685   4.111   9.878
  811    HA   ARG 107           HA       ARG 107   9.947   1.849  11.703
  812    HB2  ARG 107           HB2      ARG 107   9.236   1.826   8.773
  813    HB3  ARG 107           HB1      ARG 107   9.108   0.473   9.884
  814    HG2  ARG 107           HG2      ARG 107   7.499   3.020   9.940
  815    HG3  ARG 107           HG1      ARG 107   6.930   1.411   9.499
  816    HD2  ARG 107           HD2      ARG 107   7.904   2.267  12.230
  817    HD3  ARG 107           HD1      ARG 107   6.229   2.008  11.763
  818    HE   ARG 107           HE       ARG 107   8.198  -0.185  11.693
  819   HH11  ARG 107          HH11      ARG 107   5.113   1.136  12.704
  820   HH12  ARG 107          HH12      ARG 107   4.593  -0.332  13.464
  821   HH21  ARG 107          HH21      ARG 107   7.504  -2.122  12.692
  822   HH22  ARG 107          HH22      ARG 107   5.947  -2.186  13.451
  823    H    GLY 108           HN       GLY 108  12.050   3.606   9.848
  824    HA2  GLY 108           HA2      GLY 108  14.308   3.202   9.490
  825    HA3  GLY 108           HA1      GLY 108  14.084   1.592  10.164
  826    H    VAL 109           HN       VAL 109  12.790   3.326   7.360
  827    HA   VAL 109           HA       VAL 109  13.603   1.058   5.663
  828    HB   VAL 109           HB       VAL 109  11.007   2.610   5.471
  829   HG11  VAL 109          HG11      VAL 109  11.847   1.962   3.273
  830   HG12  VAL 109          HG12      VAL 109  10.388   1.069   3.699
  831   HG13  VAL 109          HG13      VAL 109  11.964   0.287   3.811
  832   HG21  VAL 109          HG21      VAL 109  11.489  -0.258   6.257
  833   HG22  VAL 109          HG22      VAL 109   9.912   0.498   6.040
  834   HG23  VAL 109          HG23      VAL 109  10.980   1.043   7.331
  835    H    ASP 110           HN       ASP 110  14.422   1.648   3.610
  836    HA   ASP 110           HA       ASP 110  14.371   4.506   2.973
  837    HB2  ASP 110           HB2      ASP 110  16.521   4.022   4.151
  838    HB3  ASP 110           HB1      ASP 110  16.920   2.879   2.862
  839    H    PHE 111           HN       PHE 111  13.329   4.549   1.128
  840    HA   PHE 111           HA       PHE 111  13.317   2.326  -0.675
  841    HB2  PHE 111           HB2      PHE 111  12.099   5.081  -0.812
  842    HB3  PHE 111           HB1      PHE 111  11.899   3.880  -2.084
  843    HD1  PHE 111           HD2      PHE 111  11.199   4.632   1.455
  844    HD2  PHE 111           HD1      PHE 111  10.372   2.080  -1.848
  845    HE1  PHE 111           HE2      PHE 111   9.296   3.672   2.673
  846    HE2  PHE 111           HE1      PHE 111   8.465   1.118  -0.634
  847    HZ   PHE 111           HZ       PHE 111   7.970   1.845   1.652
  848    H    GLY 112           HN       GLY 112  15.494   4.824  -0.257
  849    HA2  GLY 112           HA2      GLY 112  16.187   5.104  -3.057
  850    HA3  GLY 112           HA1      GLY 112  17.041   5.812  -1.694
  851    H    SER 113           HN       SER 113  17.324   3.332  -0.252
  852    HA   SER 113           HA       SER 113  19.600   2.295  -1.736
  853    HB2  SER 113           HB2      SER 113  18.760   1.691   1.107
  854    HB3  SER 113           HB1      SER 113  20.339   1.394   0.378
  855    HG   SER 113           HG       SER 113  19.119   3.927   0.850
  856    H    ARG 114           HN       ARG 114  16.384   1.487  -1.257
  857    HA   ARG 114           HA       ARG 114  15.122  -0.313  -1.856
  858    HB2  ARG 114           HB2      ARG 114  17.727  -1.445  -2.903
  859    HB3  ARG 114           HB1      ARG 114  16.134  -2.138  -3.189
  860    HG2  ARG 114           HG2      ARG 114  15.466  -0.184  -4.439
  861    HG3  ARG 114           HG1      ARG 114  17.004   0.605  -4.077
  862    HD2  ARG 114           HD2      ARG 114  16.639  -1.942  -5.657
  863    HD3  ARG 114           HD1      ARG 114  16.998  -0.353  -6.330
  864    HE   ARG 114           HE       ARG 114  18.977  -0.987  -4.447
  865   HH11  ARG 114          HH11      ARG 114  17.858  -2.066  -7.580
  866   HH12  ARG 114          HH12      ARG 114  19.421  -2.612  -8.091
  867   HH21  ARG 114          HH21      ARG 114  21.042  -1.707  -5.117
  868   HH22  ARG 114          HH22      ARG 114  21.231  -2.410  -6.692
  869    H    THR 115           HN       THR 115  16.954  -0.129   0.618
  870    HA   THR 115           HA       THR 115  16.487  -2.873   1.539
  871    HB   THR 115           HB       THR 115  18.554  -2.601   2.961
  872    HG1  THR 115           HG1      THR 115  20.070  -0.999   2.046
  873   HG21  THR 115          HG21      THR 115  18.608  -3.979   0.951
  874   HG22  THR 115          HG22      THR 115  20.134  -3.118   1.145
  875   HG23  THR 115          HG23      THR 115  18.949  -2.556  -0.034
  876    H    GLN 116           HN       GLN 116  16.714  -2.868   4.059
  877    HA   GLN 116           HA       GLN 116  15.759  -0.372   5.217
  878    HB2  GLN 116           HB2      GLN 116  13.951  -1.593   6.434
  879    HB3  GLN 116           HB1      GLN 116  13.701  -1.500   4.698
  880    HG2  GLN 116           HG2      GLN 116  14.456  -3.793   4.442
  881    HG3  GLN 116           HG1      GLN 116  14.773  -3.897   6.172
  882   HE21  GLN 116          HE21      GLN 116  12.392  -2.361   6.866
  883   HE22  GLN 116          HE22      GLN 116  11.055  -3.422   6.627
  884    H    ALA 117           HN       ALA 117  16.196  -0.132   7.392
  885    HA   ALA 117           HA       ALA 117  18.327  -1.798   8.401
  886    HB1  ALA 117           HB1      ALA 117  18.450  -0.188  10.225
  887    HB2  ALA 117           HB2      ALA 117  16.962   0.573   9.669
  888    HB3  ALA 117           HB3      ALA 117  18.412   0.641   8.669
  889    H    ASP 118           HN       ASP 118  14.956  -1.673   8.617
  890    HA   ASP 118           HA       ASP 118  14.804  -3.143  11.118
  891    HB2  ASP 118           HB2      ASP 118  13.051  -1.439  10.254
  892    HB3  ASP 118           HB1      ASP 118  12.534  -2.730   9.171
  893    H    ALA 119           HN       ALA 119  13.419  -5.234  11.018
  894    HA   ALA 119           HA       ALA 119  14.690  -7.004   9.129
  895    HB1  ALA 119           HB1      ALA 119  14.342  -7.726  11.438
  896    HB2  ALA 119           HB2      ALA 119  13.495  -8.787  10.311
  897    HB3  ALA 119           HB3      ALA 119  12.598  -7.578  11.227
  898    H    LEU 120           HN       LEU 120  11.460  -5.677   9.677
  899    HA   LEU 120           HA       LEU 120  10.616  -6.142   7.018
  900    HB2  LEU 120           HB2      LEU 120  10.504  -8.465   7.886
  901    HB3  LEU 120           HB1      LEU 120   9.426  -7.925   9.153
  902    HG   LEU 120           HG       LEU 120   7.754  -7.309   7.440
  903   HD11  LEU 120          HD11      LEU 120   9.774  -8.504   5.564
  904   HD12  LEU 120          HD12      LEU 120   9.145  -6.857   5.558
  905   HD13  LEU 120          HD13      LEU 120   8.088  -8.205   5.151
  906   HD21  LEU 120          HD21      LEU 120   7.631  -9.473   8.523
  907   HD22  LEU 120          HD22      LEU 120   8.737 -10.153   7.329
  908   HD23  LEU 120          HD23      LEU 120   7.136  -9.602   6.836
  909    H    VAL 121           HN       VAL 121   8.900  -4.749   6.602
  910    HA   VAL 121           HA       VAL 121   7.654  -3.591   9.003
  911    HB   VAL 121           HB       VAL 121   9.009  -1.916   7.956
  912   HG11  VAL 121          HG11      VAL 121   9.176  -2.832   5.719
  913   HG12  VAL 121          HG12      VAL 121   8.660  -1.148   5.666
  914   HG13  VAL 121          HG13      VAL 121   7.486  -2.438   5.414
  915   HG21  VAL 121          HG21      VAL 121   7.336  -0.188   7.475
  916   HG22  VAL 121          HG22      VAL 121   6.916  -1.147   8.894
  917   HG23  VAL 121          HG23      VAL 121   6.097  -1.437   7.359
  918    H    LEU 122           HN       LEU 122   5.868  -4.778   9.199
  919    HA   LEU 122           HA       LEU 122   3.985  -4.875   6.945
  920    HB2  LEU 122           HB2      LEU 122   3.836  -6.319   9.595
  921    HB3  LEU 122           HB1      LEU 122   2.810  -6.591   8.201
  922    HG   LEU 122           HG       LEU 122   5.760  -7.216   8.389
  923   HD11  LEU 122          HD11      LEU 122   5.033  -9.539   8.216
  924   HD12  LEU 122          HD12      LEU 122   3.349  -9.016   8.224
  925   HD13  LEU 122          HD13      LEU 122   4.360  -8.760   9.647
  926   HD21  LEU 122          HD21      LEU 122   3.828  -7.631   6.114
  927   HD22  LEU 122          HD22      LEU 122   5.472  -8.262   6.193
  928   HD23  LEU 122          HD23      LEU 122   5.200  -6.522   6.138
  929    H    LEU 123           HN       LEU 123   2.852  -3.027   6.921
  930    HA   LEU 123           HA       LEU 123   2.092  -1.759   9.425
  931    HB2  LEU 123           HB2      LEU 123   1.693  -0.847   6.577
  932    HB3  LEU 123           HB1      LEU 123   1.354   0.106   8.008
  933    HG   LEU 123           HG       LEU 123   4.069  -0.828   7.094
  934   HD11  LEU 123          HD11      LEU 123   4.504   1.531   6.721
  935   HD12  LEU 123          HD12      LEU 123   2.859   1.924   7.221
  936   HD13  LEU 123          HD13      LEU 123   3.133   0.986   5.753
  937   HD21  LEU 123          HD21      LEU 123   4.923   0.586   8.926
  938   HD22  LEU 123          HD22      LEU 123   4.006  -0.800   9.509
  939   HD23  LEU 123          HD23      LEU 123   3.272   0.804   9.501
  940    H    GLY 124           HN       GLY 124   0.340  -2.508  10.374
  941    HA2  GLY 124           HA2      GLY 124  -2.036  -3.070   8.720
  942    HA3  GLY 124           HA1      GLY 124  -1.744  -3.742  10.317
  943    H    GLY 125           HN       GLY 125  -4.142  -2.448   9.610
  944    HA2  GLY 125           HA2      GLY 125  -5.608  -0.977  10.574
  945    HA3  GLY 125           HA1      GLY 125  -4.383  -0.682  11.797
  946    H    LEU 126           HN       LEU 126  -3.829  -0.053   8.384
  947    HA   LEU 126           HA       LEU 126  -3.303   2.704   8.960
  948    HB2  LEU 126           HB2      LEU 126  -3.045   0.950   6.594
  949    HB3  LEU 126           HB1      LEU 126  -3.269   2.662   6.274
  950    HG   LEU 126           HG       LEU 126  -1.285   3.193   7.597
  951   HD11  LEU 126          HD11      LEU 126  -0.894   0.222   7.894
  952   HD12  LEU 126          HD12      LEU 126  -1.495   1.280   9.170
  953   HD13  LEU 126          HD13      LEU 126   0.130   1.511   8.530
  954   HD21  LEU 126          HD21      LEU 126   0.387   2.216   6.104
  955   HD22  LEU 126          HD22      LEU 126  -1.033   2.762   5.215
  956   HD23  LEU 126          HD23      LEU 126  -0.802   1.044   5.537
  957    H    ASP 127           HN       ASP 127  -4.300   4.513   8.068
  958    HA   ASP 127           HA       ASP 127  -7.083   4.134   7.178
  959    HB2  ASP 127           HB2      ASP 127  -6.041   6.291   9.049
  960    HB3  ASP 127           HB1      ASP 127  -7.684   6.202   8.416
  961    H    PHE 128           HN       PHE 128  -7.894   6.111   5.993
  962    HA   PHE 128           HA       PHE 128  -5.734   7.125   4.293
  963    HB2  PHE 128           HB2      PHE 128  -8.738   7.143   3.959
  964    HB3  PHE 128           HB1      PHE 128  -7.630   7.937   2.843
  965    HD1  PHE 128           HD2      PHE 128  -8.593   4.650   4.251
  966    HD2  PHE 128           HD1      PHE 128  -6.517   6.727   1.181
  967    HE1  PHE 128           HE2      PHE 128  -8.320   2.538   3.017
  968    HE2  PHE 128           HE1      PHE 128  -6.234   4.622  -0.063
  969    HZ   PHE 128           HZ       PHE 128  -7.136   2.499   0.891
  970    H    GLU 129           HN       GLU 129  -6.192   8.034   7.004
  971    HA   GLU 129           HA       GLU 129  -7.248  10.694   6.888
  972    HB2  GLU 129           HB2      GLU 129  -7.306   9.428   8.979
  973    HB3  GLU 129           HB1      GLU 129  -5.554   9.307   8.978
  974    HG2  GLU 129           HG2      GLU 129  -5.408  11.753   9.186
  975    HG3  GLU 129           HG1      GLU 129  -7.168  11.829   9.261
  976    H    ALA 130           HN       ALA 130  -6.238  12.163   5.720
  977    HA   ALA 130           HA       ALA 130  -3.367  12.551   6.061
  978    HB1  ALA 130           HB1      ALA 130  -3.054  12.790   3.630
  979    HB2  ALA 130           HB2      ALA 130  -4.720  12.270   3.379
  980    HB3  ALA 130           HB3      ALA 130  -3.547  11.158   4.081
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -23.986 -14.700  11.562
    2    H2   GLY   1           HT2      GLY   1 -25.071 -13.407  11.651
    3    H3   GLY   1           HT3      GLY   1 -24.624 -14.233  13.055
    4    HA2  GLY   1           HA1      GLY   1 -23.488 -12.109  12.911
    5    HA3  GLY   1           HA2      GLY   1 -22.362 -13.459  12.852
    6    H    ALA   2           HN       ALA   2 -21.222 -11.380  11.951
    7    HA   ALA   2           HA       ALA   2 -20.144 -10.407  10.215
    8    HB1  ALA   2           HB1      ALA   2 -21.033 -12.872   8.717
    9    HB2  ALA   2           HB2      ALA   2 -19.560 -12.716   9.675
   10    HB3  ALA   2           HB3      ALA   2 -19.766 -11.753   8.211
   11    H    MET   3           HN       MET   3 -22.681  -9.429  10.667
   12    HA   MET   3           HA       MET   3 -24.114  -9.244   8.174
   13    HB2  MET   3           HB2      MET   3 -24.439  -7.703  10.764
   14    HB3  MET   3           HB1      MET   3 -25.529  -7.589   9.388
   15    HG2  MET   3           HG2      MET   3 -25.015 -10.009  11.106
   16    HG3  MET   3           HG1      MET   3 -26.486  -9.040  11.039
   17    HE1  MET   3           HE1      MET   3 -26.748  -8.516   7.896
   18    HE2  MET   3           HE2      MET   3 -28.110  -8.962   8.921
   19    HE3  MET   3           HE3      MET   3 -27.805  -9.847   7.428
   20    H    GLY   4           HN       GLY   4 -21.746  -7.371   9.926
   21    HA2  GLY   4           HA2      GLY   4 -21.863  -5.181   8.019
   22    HA3  GLY   4           HA1      GLY   4 -20.756  -5.324   9.378
   23    H    MET   5           HN       MET   5 -21.469  -7.417   6.624
   24    HA   MET   5           HA       MET   5 -18.724  -7.196   5.672
   25    HB2  MET   5           HB2      MET   5 -18.599  -9.003   7.281
   26    HB3  MET   5           HB1      MET   5 -20.022  -9.769   6.594
   27    HG2  MET   5           HG2      MET   5 -18.766 -10.161   4.509
   28    HG3  MET   5           HG1      MET   5 -17.332  -9.472   5.272
   29    HE1  MET   5           HE1      MET   5 -16.130 -10.514   7.358
   30    HE2  MET   5           HE2      MET   5 -16.615 -12.016   8.145
   31    HE3  MET   5           HE3      MET   5 -17.631 -10.582   8.282
   32    H    SER   6           HN       SER   6 -18.815  -6.972   3.525
   33    HA   SER   6           HA       SER   6 -20.882  -8.423   2.046
   34    HB2  SER   6           HB2      SER   6 -21.662  -6.086   2.349
   35    HB3  SER   6           HB1      SER   6 -20.181  -5.508   1.587
   36    HG   SER   6           HG       SER   6 -21.327  -5.653  -0.177
   37    HA   PRO   7           HA       PRO   7 -17.253  -9.540  -0.263
   38    HB2  PRO   7           HB2      PRO   7 -18.511 -10.868  -2.273
   39    HB3  PRO   7           HB1      PRO   7 -18.266 -11.558  -0.666
   40    HG2  PRO   7           HG2      PRO   7 -20.701 -10.264  -1.826
   41    HG3  PRO   7           HG1      PRO   7 -20.576 -11.722  -0.823
   42    HD2  PRO   7           HD2      PRO   7 -21.315  -9.316   0.179
   43    HD3  PRO   7           HD1      PRO   7 -20.414 -10.509   1.135
   44    H    ASP   8           HN       ASP   8 -19.825  -7.562  -1.366
   45    HA   ASP   8           HA       ASP   8 -18.711  -6.987  -3.959
   46    HB2  ASP   8           HB2      ASP   8 -20.607  -5.784  -4.334
   47    HB3  ASP   8           HB1      ASP   8 -21.192  -6.623  -2.904
   48    H    THR   9           HN       THR   9 -18.475  -5.748  -0.735
   49    HA   THR   9           HA       THR   9 -17.173  -3.313  -1.291
   50    HB   THR   9           HB       THR   9 -16.935  -5.043   1.180
   51    HG1  THR   9           HG1      THR   9 -18.928  -3.256   0.267
   52   HG21  THR   9          HG21      THR   9 -16.576  -2.069   0.790
   53   HG22  THR   9          HG22      THR   9 -15.286  -3.239   1.065
   54   HG23  THR   9          HG23      THR   9 -16.479  -2.928   2.328
   55    H    ALA  10           HN       ALA  10 -15.948  -6.512  -0.343
   56    HA   ALA  10           HA       ALA  10 -13.226  -5.909  -0.431
   57    HB1  ALA  10           HB1      ALA  10 -14.137  -7.910   0.638
   58    HB2  ALA  10           HB2      ALA  10 -12.866  -8.313  -0.516
   59    HB3  ALA  10           HB3      ALA  10 -14.558  -8.563  -0.945
   60    H    ARG  11           HN       ARG  11 -15.374  -7.200  -2.941
   61    HA   ARG  11           HA       ARG  11 -13.326  -7.618  -4.854
   62    HB2  ARG  11           HB2      ARG  11 -15.571  -8.714  -4.900
   63    HB3  ARG  11           HB1      ARG  11 -16.267  -7.176  -5.389
   64    HG2  ARG  11           HG2      ARG  11 -14.861  -7.213  -7.411
   65    HG3  ARG  11           HG1      ARG  11 -14.235  -8.788  -6.922
   66    HD2  ARG  11           HD2      ARG  11 -16.586  -9.639  -6.946
   67    HD3  ARG  11           HD1      ARG  11 -17.082  -8.091  -7.629
   68    HE   ARG  11           HE       ARG  11 -14.977  -9.351  -9.113
   69   HH11  ARG  11          HH11      ARG  11 -18.445  -9.223  -8.665
   70   HH12  ARG  11          HH12      ARG  11 -18.798  -9.840 -10.245
   71   HH21  ARG  11          HH21      ARG  11 -15.440 -10.152 -11.196
   72   HH22  ARG  11          HH22      ARG  11 -17.090 -10.364 -11.685
   73    H    ARG  12           HN       ARG  12 -15.364  -4.884  -4.061
   74    HA   ARG  12           HA       ARG  12 -14.884  -3.340  -6.370
   75    HB2  ARG  12           HB2      ARG  12 -16.677  -2.967  -4.615
   76    HB3  ARG  12           HB1      ARG  12 -15.422  -2.273  -3.600
   77    HG2  ARG  12           HG2      ARG  12 -14.987  -0.580  -5.338
   78    HG3  ARG  12           HG1      ARG  12 -16.320  -1.247  -6.282
   79    HD2  ARG  12           HD2      ARG  12 -16.472   0.031  -3.558
   80    HD3  ARG  12           HD1      ARG  12 -17.108   0.670  -5.070
   81    HE   ARG  12           HE       ARG  12 -18.145  -1.877  -4.047
   82   HH11  ARG  12          HH11      ARG  12 -18.647   1.496  -4.834
   83   HH12  ARG  12          HH12      ARG  12 -20.368   1.417  -4.638
   84   HH21  ARG  12          HH21      ARG  12 -20.409  -1.999  -3.783
   85   HH22  ARG  12          HH22      ARG  12 -21.371  -0.571  -4.051
   86    H    PHE  13           HN       PHE  13 -13.337  -3.327  -3.164
   87    HA   PHE  13           HA       PHE  13 -11.449  -1.319  -3.772
   88    HB2  PHE  13           HB2      PHE  13 -11.989  -1.994  -1.464
   89    HB3  PHE  13           HB1      PHE  13 -11.253  -3.563  -1.745
   90    HD1  PHE  13           HD1      PHE  13 -10.539   0.062  -1.516
   91    HD2  PHE  13           HD2      PHE  13  -8.940  -3.880  -1.483
   92    HE1  PHE  13           HE1      PHE  13  -8.369   0.952  -0.778
   93    HE2  PHE  13           HE2      PHE  13  -6.767  -2.998  -0.744
   94    HZ   PHE  13           HZ       PHE  13  -6.479  -0.578  -0.391
   95    H    ASP  14           HN       ASP  14 -11.390  -4.810  -4.005
   96    HA   ASP  14           HA       ASP  14  -8.772  -5.325  -4.678
   97    HB2  ASP  14           HB2      ASP  14 -10.405  -7.065  -4.217
   98    HB3  ASP  14           HB1      ASP  14 -11.308  -6.638  -5.662
   99    H    THR  15           HN       THR  15 -11.390  -4.241  -6.785
  100    HA   THR  15           HA       THR  15  -9.598  -4.499  -9.089
  101    HB   THR  15           HB       THR  15 -11.716  -4.195 -10.432
  102    HG1  THR  15           HG1      THR  15 -13.064  -4.878  -8.028
  103   HG21  THR  15          HG21      THR  15 -10.673  -6.381 -10.063
  104   HG22  THR  15          HG22      THR  15 -12.430  -6.506 -10.098
  105   HG23  THR  15          HG23      THR  15 -11.575  -6.556  -8.557
  106    H    GLU  16           HN       GLU  16 -11.583  -2.110  -7.400
  107    HA   GLU  16           HA       GLU  16 -11.113  -0.186  -9.525
  108    HB2  GLU  16           HB2      GLU  16 -13.345  -0.538  -8.342
  109    HB3  GLU  16           HB1      GLU  16 -12.633   0.315  -6.978
  110    HG2  GLU  16           HG2      GLU  16 -13.936   1.839  -8.314
  111    HG3  GLU  16           HG1      GLU  16 -12.222   2.255  -8.426
  112    H    PHE  17           HN       PHE  17 -10.254  -0.559  -6.093
  113    HA   PHE  17           HA       PHE  17  -8.961   2.066  -6.224
  114    HB2  PHE  17           HB2      PHE  17  -9.739   0.368  -3.853
  115    HB3  PHE  17           HB1      PHE  17  -8.847   1.879  -3.727
  116    HD1  PHE  17           HD2      PHE  17 -12.089   0.386  -4.715
  117    HD2  PHE  17           HD1      PHE  17  -9.943   3.977  -3.896
  118    HE1  PHE  17           HE2      PHE  17 -14.203   1.644  -4.689
  119    HE2  PHE  17           HE1      PHE  17 -12.056   5.234  -3.871
  120    HZ   PHE  17           HZ       PHE  17 -14.186   4.069  -4.266
  121    H    ALA  18           HN       ALA  18  -8.206  -1.281  -5.255
  122    HA   ALA  18           HA       ALA  18  -5.663  -0.818  -4.265
  123    HB1  ALA  18           HB1      ALA  18  -5.234  -3.165  -4.515
  124    HB2  ALA  18           HB2      ALA  18  -6.535  -3.320  -5.693
  125    HB3  ALA  18           HB3      ALA  18  -6.908  -2.930  -4.015
  126    HA   PRO  19           HA       PRO  19  -3.812  -1.692  -8.742
  127    HB2  PRO  19           HB2      PRO  19  -6.056  -0.553 -10.338
  128    HB3  PRO  19           HB1      PRO  19  -4.982  -1.910 -10.712
  129    HG2  PRO  19           HG2      PRO  19  -7.469  -2.378  -9.967
  130    HG3  PRO  19           HG1      PRO  19  -6.149  -3.377  -9.326
  131    HD2  PRO  19           HD2      PRO  19  -7.612  -1.107  -8.017
  132    HD3  PRO  19           HD1      PRO  19  -7.142  -2.680  -7.340
  133    H    ARG  20           HN       ARG  20  -5.903   0.993  -7.913
  134    HA   ARG  20           HA       ARG  20  -4.472   2.986  -9.369
  135    HB2  ARG  20           HB2      ARG  20  -6.491   3.084  -7.138
  136    HB3  ARG  20           HB1      ARG  20  -5.692   4.544  -7.704
  137    HG2  ARG  20           HG2      ARG  20  -7.081   2.742  -9.640
  138    HG3  ARG  20           HG1      ARG  20  -7.996   3.899  -8.673
  139    HD2  ARG  20           HD2      ARG  20  -5.608   4.702 -10.312
  140    HD3  ARG  20           HD1      ARG  20  -7.239   4.665 -10.979
  141    HE   ARG  20           HE       ARG  20  -7.745   6.229  -8.996
  142   HH11  ARG  20          HH11      ARG  20  -4.696   6.172 -10.714
  143   HH12  ARG  20          HH12      ARG  20  -4.402   7.869 -10.502
  144   HH21  ARG  20          HH21      ARG  20  -7.355   8.460  -8.717
  145   HH22  ARG  20          HH22      ARG  20  -5.907   9.165  -9.368
  146    H    ILE  21           HN       ILE  21  -4.325   1.683  -6.120
  147    HA   ILE  21           HA       ILE  21  -2.515   3.607  -5.074
  148    HB   ILE  21           HB       ILE  21  -2.881   0.761  -4.125
  149   HG12  ILE  21          HG12      ILE  21  -4.384   3.229  -3.225
  150   HG13  ILE  21          HG11      ILE  21  -5.045   2.009  -4.309
  151   HG21  ILE  21          HG21      ILE  21  -0.932   1.967  -3.218
  152   HG22  ILE  21          HG22      ILE  21  -2.133   1.613  -1.978
  153   HG23  ILE  21          HG23      ILE  21  -2.007   3.240  -2.641
  154   HD11  ILE  21          HD11      ILE  21  -4.234   1.623  -1.434
  155   HD12  ILE  21          HD12      ILE  21  -4.755   0.328  -2.511
  156   HD13  ILE  21          HD13      ILE  21  -5.871   1.627  -2.092
  157    H    ALA  22           HN       ALA  22  -2.140   0.355  -6.407
  158    HA   ALA  22           HA       ALA  22   0.605   0.081  -5.910
  159    HB1  ALA  22           HB1      ALA  22  -0.892  -1.794  -6.412
  160    HB2  ALA  22           HB2      ALA  22   0.534  -1.784  -7.452
  161    HB3  ALA  22           HB3      ALA  22  -1.018  -1.231  -8.079
  162    H    ARG  23           HN       ARG  23  -1.102   1.237  -8.804
  163    HA   ARG  23           HA       ARG  23   1.275   1.497 -10.348
  164    HB2  ARG  23           HB2      ARG  23  -1.067   1.276 -11.271
  165    HB3  ARG  23           HB1      ARG  23  -1.333   2.950 -10.803
  166    HG2  ARG  23           HG2      ARG  23   0.532   3.631 -12.260
  167    HG3  ARG  23           HG1      ARG  23   0.718   1.952 -12.770
  168    HD2  ARG  23           HD2      ARG  23  -0.562   3.100 -14.432
  169    HD3  ARG  23           HD1      ARG  23  -1.639   2.004 -13.567
  170    HE   ARG  23           HE       ARG  23  -1.527   4.794 -12.698
  171   HH11  ARG  23          HH11      ARG  23  -3.259   2.251 -14.367
  172   HH12  ARG  23          HH12      ARG  23  -4.781   3.081 -14.329
  173   HH21  ARG  23          HH21      ARG  23  -3.520   5.915 -12.685
  174   HH22  ARG  23          HH22      ARG  23  -4.925   5.178 -13.386
  175    H    ALA  24           HN       ALA  24  -0.512   3.631  -8.219
  176    HA   ALA  24           HA       ALA  24   0.784   6.038  -8.950
  177    HB1  ALA  24           HB1      ALA  24  -0.101   6.942  -6.875
  178    HB2  ALA  24           HB2      ALA  24  -0.484   5.316  -6.311
  179    HB3  ALA  24           HB3      ALA  24  -1.331   5.989  -7.704
  180    H    ILE  25           HN       ILE  25   1.374   3.696  -6.355
  181    HA   ILE  25           HA       ILE  25   3.638   4.975  -5.274
  182    HB   ILE  25           HB       ILE  25   2.903   2.041  -5.224
  183   HG12  ILE  25          HG12      ILE  25   2.413   4.242  -3.198
  184   HG13  ILE  25          HG11      ILE  25   1.189   3.520  -4.236
  185   HG21  ILE  25          HG21      ILE  25   4.847   3.588  -3.510
  186   HG22  ILE  25          HG22      ILE  25   5.261   2.375  -4.720
  187   HG23  ILE  25          HG23      ILE  25   4.377   1.905  -3.267
  188   HD11  ILE  25          HD11      ILE  25   2.767   2.064  -2.128
  189   HD12  ILE  25          HD12      ILE  25   1.488   1.381  -3.134
  190   HD13  ILE  25          HD13      ILE  25   1.109   2.642  -1.961
  191    H    ALA  26           HN       ALA  26   3.251   2.532  -7.792
  192    HA   ALA  26           HA       ALA  26   5.938   1.889  -8.189
  193    HB1  ALA  26           HB1      ALA  26   3.705   1.925 -10.216
  194    HB2  ALA  26           HB2      ALA  26   4.120   0.583  -9.148
  195    HB3  ALA  26           HB3      ALA  26   5.251   1.097 -10.402
  196    H    ASP  27           HN       ASP  27   3.944   4.413  -9.662
  197    HA   ASP  27           HA       ASP  27   5.968   5.418 -11.375
  198    HB2  ASP  27           HB2      ASP  27   3.705   5.948 -11.915
  199    HB3  ASP  27           HB1      ASP  27   3.405   6.611 -10.314
  200    H    LEU  28           HN       LEU  28   5.035   6.080  -8.074
  201    HA   LEU  28           HA       LEU  28   6.477   8.502  -7.766
  202    HB2  LEU  28           HB2      LEU  28   4.650   7.891  -6.270
  203    HB3  LEU  28           HB1      LEU  28   5.528   6.472  -5.739
  204    HG   LEU  28           HG       LEU  28   7.254   7.956  -4.738
  205   HD11  LEU  28          HD11      LEU  28   6.693  10.328  -4.410
  206   HD12  LEU  28          HD12      LEU  28   5.312  10.136  -5.489
  207   HD13  LEU  28          HD13      LEU  28   6.951   9.927  -6.106
  208   HD21  LEU  28          HD21      LEU  28   4.430   8.422  -3.780
  209   HD22  LEU  28          HD22      LEU  28   5.898   8.634  -2.824
  210   HD23  LEU  28          HD23      LEU  28   5.437   7.027  -3.388
  211    H    LEU  29           HN       LEU  29   7.267   5.109  -7.368
  212    HA   LEU  29           HA       LEU  29   9.937   5.784  -6.388
  213    HB2  LEU  29           HB2      LEU  29   8.644   3.079  -6.780
  214    HB3  LEU  29           HB1      LEU  29  10.179   3.383  -5.987
  215    HG   LEU  29           HG       LEU  29   7.475   4.288  -4.998
  216   HD11  LEU  29          HD11      LEU  29   7.821   2.664  -3.214
  217   HD12  LEU  29          HD12      LEU  29   9.337   2.157  -3.958
  218   HD13  LEU  29          HD13      LEU  29   7.807   1.880  -4.793
  219   HD21  LEU  29          HD21      LEU  29  10.229   4.602  -3.812
  220   HD22  LEU  29          HD22      LEU  29   8.726   4.891  -2.939
  221   HD23  LEU  29          HD23      LEU  29   9.139   5.888  -4.332
  222    H    ASN  30           HN       ASN  30   8.683   5.950  -9.228
  223    HA   ASN  30           HA       ASN  30   9.360   5.775 -11.380
  224    HB2  ASN  30           HB2      ASN  30  12.059   5.745 -10.017
  225    HB3  ASN  30           HB1      ASN  30  11.837   5.933 -11.752
  226   HD21  ASN  30          HD21      ASN  30  11.014   7.851 -12.556
  227   HD22  ASN  30          HD22      ASN  30  10.894   9.284 -11.595
  228    H    HIS  31           HN       HIS  31   8.651   3.321 -10.120
  229    HA   HIS  31           HA       HIS  31   8.680   1.076 -10.439
  230    HB2  HIS  31           HB2      HIS  31   9.776   2.062 -13.056
  231    HB3  HIS  31           HB1      HIS  31   9.609   0.339 -12.748
  232    HD1  HIS  31           HD1      HIS  31   7.855   3.002 -14.264
  233    HD2  HIS  31           HD2      HIS  31   6.725  -0.189 -11.852
  234    HE1  HIS  31           HE1      HIS  31   5.396   2.682 -14.674
  235    HE2  HIS  31           HE2      HIS  31   4.775   0.646 -13.332
  236    H    ARG  32           HN       ARG  32  11.111   2.369  -9.196
  237    HA   ARG  32           HA       ARG  32  13.201   0.477  -9.886
  238    HB2  ARG  32           HB2      ARG  32  13.071   2.629  -7.764
  239    HB3  ARG  32           HB1      ARG  32  14.478   1.614  -8.054
  240    HG2  ARG  32           HG2      ARG  32  13.243   3.541 -10.012
  241    HG3  ARG  32           HG1      ARG  32  14.740   3.782  -9.107
  242    HD2  ARG  32           HD2      ARG  32  14.239   1.599 -11.130
  243    HD3  ARG  32           HD1      ARG  32  15.157   3.072 -11.421
  244    HE   ARG  32           HE       ARG  32  16.595   2.164  -9.478
  245   HH11  ARG  32          HH11      ARG  32  15.015   0.185 -11.906
  246   HH12  ARG  32          HH12      ARG  32  16.233  -1.045 -11.874
  247   HH21  ARG  32          HH21      ARG  32  18.190   0.538  -9.427
  248   HH22  ARG  32          HH22      ARG  32  18.035  -0.854 -10.458
  249    H    ALA  33           HN       ALA  33  10.587   0.733  -7.751
  250    HA   ALA  33           HA       ALA  33  11.407  -1.788  -6.478
  251    HB1  ALA  33           HB1      ALA  33   9.666   0.376  -5.289
  252    HB2  ALA  33           HB2      ALA  33  11.326   0.014  -4.817
  253    HB3  ALA  33           HB3      ALA  33  10.049  -1.171  -4.535
  254    H    HIS  34           HN       HIS  34   9.851  -3.405  -6.444
  255    HA   HIS  34           HA       HIS  34   7.787  -3.051  -8.469
  256    HB2  HIS  34           HB2      HIS  34   9.218  -5.016  -8.695
  257    HB3  HIS  34           HB1      HIS  34   8.816  -5.533  -7.061
  258    HD1  HIS  34           HD1      HIS  34   7.236  -5.171 -10.482
  259    HD2  HIS  34           HD2      HIS  34   6.536  -7.055  -6.842
  260    HE1  HIS  34           HE1      HIS  34   5.273  -6.693 -10.875
  261    HE2  HIS  34           HE2      HIS  34   4.943  -7.910  -8.694
  262    H    THR  35           HN       THR  35   5.744  -2.694  -7.979
  263    HA   THR  35           HA       THR  35   4.814  -3.381  -5.274
  264    HB   THR  35           HB       THR  35   3.023  -1.693  -5.662
  265    HG1  THR  35           HG1      THR  35   3.186  -0.331  -7.460
  266   HG21  THR  35          HG21      THR  35   4.412   0.239  -5.294
  267   HG22  THR  35          HG22      THR  35   5.791  -0.561  -6.050
  268   HG23  THR  35          HG23      THR  35   5.169  -1.150  -4.511
  269    H    ASP  36           HN       ASP  36   2.989  -4.637  -5.047
  270    HA   ASP  36           HA       ASP  36   1.668  -5.517  -7.504
  271    HB2  ASP  36           HB2      ASP  36   3.542  -7.107  -7.004
  272    HB3  ASP  36           HB1      ASP  36   2.758  -7.474  -5.470
  273    H    VAL  37           HN       VAL  37  -0.432  -5.825  -7.294
  274    HA   VAL  37           HA       VAL  37  -1.670  -5.360  -4.723
  275    HB   VAL  37           HB       VAL  37  -2.887  -5.805  -7.453
  276   HG11  VAL  37          HG11      VAL  37  -4.992  -5.030  -6.443
  277   HG12  VAL  37          HG12      VAL  37  -4.218  -5.033  -4.857
  278   HG13  VAL  37          HG13      VAL  37  -4.435  -6.546  -5.737
  279   HG21  VAL  37          HG21      VAL  37  -3.405  -3.415  -7.351
  280   HG22  VAL  37          HG22      VAL  37  -1.668  -3.707  -7.270
  281   HG23  VAL  37          HG23      VAL  37  -2.563  -3.301  -5.807
  282    H    VAL  38           HN       VAL  38  -1.561  -7.086  -3.424
  283    HA   VAL  38           HA       VAL  38  -2.143  -9.757  -4.254
  284    HB   VAL  38           HB       VAL  38  -2.305  -8.553  -1.482
  285   HG11  VAL  38          HG11      VAL  38  -3.512 -10.648  -1.640
  286   HG12  VAL  38          HG12      VAL  38  -2.034 -10.859  -0.700
  287   HG13  VAL  38          HG13      VAL  38  -2.105 -11.424  -2.368
  288   HG21  VAL  38          HG21      VAL  38  -0.026  -9.974  -2.843
  289   HG22  VAL  38          HG22      VAL  38  -0.067  -9.500  -1.145
  290   HG23  VAL  38          HG23      VAL  38  -0.083  -8.266  -2.405
  291    H    GLY  39           HN       GLY  39  -4.081 -10.261  -5.037
  292    HA2  GLY  39           HA2      GLY  39  -6.378  -8.633  -4.599
  293    HA3  GLY  39           HA1      GLY  39  -6.330 -10.154  -5.480
  294    H    TYR  40           HN       TYR  40  -8.503  -9.641  -3.991
  295    HA   TYR  40           HA       TYR  40  -8.272 -10.691  -1.333
  296    HB2  TYR  40           HB2      TYR  40 -10.097  -9.126  -2.095
  297    HB3  TYR  40           HB1      TYR  40 -10.772 -10.463  -3.027
  298    HD1  TYR  40           HD1      TYR  40  -9.925  -9.398   0.438
  299    HD2  TYR  40           HD2      TYR  40 -12.217 -12.016  -2.013
  300    HE1  TYR  40           HE1      TYR  40 -11.194 -10.129   2.413
  301    HE2  TYR  40           HE2      TYR  40 -13.492 -12.749  -0.041
  302    HH   TYR  40           HH       TYR  40 -13.132 -12.857   2.438
  303    H    GLY  41           HN       GLY  41  -7.846 -12.735  -0.900
  304    HA2  GLY  41           HA2      GLY  41  -8.716 -14.785  -2.846
  305    HA3  GLY  41           HA1      GLY  41  -7.238 -14.896  -1.892
  306    H    GLY  42           HN       GLY  42 -10.622 -14.159  -1.122
  307    HA2  GLY  42           HA2      GLY  42 -12.111 -15.470   0.118
  308    HA3  GLY  42           HA1      GLY  42 -10.785 -16.559   0.515
  309    H    HIS  43           HN       HIS  43 -12.388 -15.953   2.549
  310    HA   HIS  43           HA       HIS  43 -11.627 -13.557   3.918
  311    HB2  HIS  43           HB2      HIS  43 -13.133 -16.007   4.877
  312    HB3  HIS  43           HB1      HIS  43 -12.865 -14.565   5.855
  313    HD1  HIS  43           HD1      HIS  43 -14.427 -12.619   5.508
  314    HD2  HIS  43           HD2      HIS  43 -14.839 -15.551   2.585
  315    HE1  HIS  43           HE1      HIS  43 -16.435 -11.948   4.151
  316    HE2  HIS  43           HE2      HIS  43 -16.595 -13.673   2.321
  317    H    GLY  44           HN       GLY  44  -9.704 -13.270   4.691
  318    HA2  GLY  44           HA2      GLY  44  -8.141 -14.090   6.488
  319    HA3  GLY  44           HA1      GLY  44  -8.165 -15.612   5.610
  320    H    HIS  45           HN       HIS  45  -8.407 -13.837   3.109
  321    HA   HIS  45           HA       HIS  45  -5.590 -12.971   2.959
  322    HB2  HIS  45           HB2      HIS  45  -7.219 -14.352   0.805
  323    HB3  HIS  45           HB1      HIS  45  -5.652 -13.605   0.534
  324    HD1  HIS  45           HD1      HIS  45  -3.658 -15.050   0.877
  325    HD2  HIS  45           HD2      HIS  45  -7.068 -16.630   2.665
  326    HE1  HIS  45           HE1      HIS  45  -3.000 -17.332   1.697
  327    HE2  HIS  45           HE2      HIS  45  -5.105 -18.312   2.663
  328    HA   PRO  46           HA       PRO  46  -8.451  -9.480   2.015
  329    HB2  PRO  46           HB2      PRO  46  -6.676  -7.835   3.613
  330    HB3  PRO  46           HB1      PRO  46  -8.366  -8.259   3.922
  331    HG2  PRO  46           HG2      PRO  46  -6.274  -9.159   5.439
  332    HG3  PRO  46           HG1      PRO  46  -7.802 -10.039   5.251
  333    HD2  PRO  46           HD2      PRO  46  -5.178 -10.482   3.881
  334    HD3  PRO  46           HD1      PRO  46  -6.336 -11.672   4.514
  335    H    THR  47           HN       THR  47  -8.192  -7.853   0.544
  336    HA   THR  47           HA       THR  47  -6.009  -7.855  -1.191
  337    HB   THR  47           HB       THR  47  -7.928  -5.554  -0.797
  338    HG1  THR  47           HG1      THR  47  -8.406  -7.650  -2.619
  339   HG21  THR  47          HG21      THR  47  -7.573  -5.142  -3.159
  340   HG22  THR  47          HG22      THR  47  -6.576  -6.589  -3.299
  341   HG23  THR  47          HG23      THR  47  -6.005  -5.211  -2.355
  342    H    GLN  48           HN       GLN  48  -4.157  -6.723  -1.274
  343    HA   GLN  48           HA       GLN  48  -3.657  -4.447   0.429
  344    HB2  GLN  48           HB2      GLN  48  -1.729  -5.522   1.583
  345    HB3  GLN  48           HB1      GLN  48  -3.278  -6.211   2.044
  346    HG2  GLN  48           HG2      GLN  48  -2.875  -8.052   0.429
  347    HG3  GLN  48           HG1      GLN  48  -1.271  -7.385   0.136
  348   HE21  GLN  48          HE21      GLN  48  -3.321  -9.040   2.396
  349   HE22  GLN  48          HE22      GLN  48  -2.062  -9.541   3.473
  350    H    VAL  49           HN       VAL  49  -1.778  -3.311  -0.197
  351    HA   VAL  49           HA       VAL  49  -0.545  -4.361  -2.648
  352    HB   VAL  49           HB       VAL  49  -1.665  -2.245  -3.043
  353   HG11  VAL  49          HG11      VAL  49  -1.647  -1.305  -0.812
  354   HG12  VAL  49          HG12      VAL  49  -0.914  -0.171  -1.948
  355   HG13  VAL  49          HG13      VAL  49   0.107  -1.128  -0.874
  356   HG21  VAL  49          HG21      VAL  49   0.226  -0.953  -3.938
  357   HG22  VAL  49          HG22      VAL  49   0.365  -2.675  -4.295
  358   HG23  VAL  49          HG23      VAL  49   1.338  -1.959  -3.009
  359    H    ARG  50           HN       ARG  50   1.371  -5.181  -2.384
  360    HA   ARG  50           HA       ARG  50   3.022  -4.170  -0.184
  361    HB2  ARG  50           HB2      ARG  50   4.284  -6.333  -0.434
  362    HB3  ARG  50           HB1      ARG  50   2.630  -6.473   0.132
  363    HG2  ARG  50           HG2      ARG  50   1.946  -7.081  -2.171
  364    HG3  ARG  50           HG1      ARG  50   3.650  -7.064  -2.633
  365    HD2  ARG  50           HD2      ARG  50   2.807  -9.333  -2.093
  366    HD3  ARG  50           HD1      ARG  50   4.153  -8.825  -1.076
  367    HE   ARG  50           HE       ARG  50   1.643  -8.222   0.140
  368   HH11  ARG  50          HH11      ARG  50   3.863 -10.843  -0.497
  369   HH12  ARG  50          HH12      ARG  50   3.379 -11.764   0.890
  370   HH21  ARG  50          HH21      ARG  50   0.988  -9.430   1.978
  371   HH22  ARG  50          HH22      ARG  50   1.744 -10.963   2.299
  372    H    ILE  51           HN       ILE  51   5.081  -3.561  -0.430
  373    HA   ILE  51           HA       ILE  51   5.988  -3.106  -3.193
  374    HB   ILE  51           HB       ILE  51   6.978  -1.670  -0.723
  375   HG12  ILE  51          HG12      ILE  51   4.840  -0.760  -2.663
  376   HG13  ILE  51          HG11      ILE  51   4.558  -1.256  -0.999
  377   HG21  ILE  51          HG21      ILE  51   7.814  -0.032  -2.323
  378   HG22  ILE  51          HG22      ILE  51   7.144  -0.974  -3.654
  379   HG23  ILE  51          HG23      ILE  51   8.455  -1.638  -2.677
  380   HD11  ILE  51          HD11      ILE  51   5.990   0.620  -0.257
  381   HD12  ILE  51          HD12      ILE  51   4.542   1.130  -1.121
  382   HD13  ILE  51          HD13      ILE  51   6.107   1.145  -1.935
  383    H    VAL  52           HN       VAL  52   7.475  -4.532  -3.782
  384    HA   VAL  52           HA       VAL  52   9.326  -5.565  -1.743
  385    HB   VAL  52           HB       VAL  52   8.417  -7.002  -4.248
  386   HG11  VAL  52          HG11      VAL  52   9.996  -7.991  -1.874
  387   HG12  VAL  52          HG12      VAL  52  10.629  -7.683  -3.491
  388   HG13  VAL  52          HG13      VAL  52   9.453  -8.971  -3.234
  389   HG21  VAL  52          HG21      VAL  52   7.531  -7.440  -1.398
  390   HG22  VAL  52          HG22      VAL  52   7.084  -8.434  -2.784
  391   HG23  VAL  52          HG23      VAL  52   6.554  -6.754  -2.694
  392    H    ALA  53           HN       ALA  53  11.478  -5.554  -2.199
  393    HA   ALA  53           HA       ALA  53  12.272  -4.317  -4.753
  394    HB1  ALA  53           HB1      ALA  53  14.261  -3.496  -3.588
  395    HB2  ALA  53           HB2      ALA  53  13.698  -4.248  -2.095
  396    HB3  ALA  53           HB3      ALA  53  12.782  -2.925  -2.817
  397    HA   PRO  54           HA       PRO  54  14.040  -8.499  -4.954
  398    HB2  PRO  54           HB2      PRO  54  13.629  -8.881  -7.605
  399    HB3  PRO  54           HB1      PRO  54  12.347  -9.098  -6.402
  400    HG2  PRO  54           HG2      PRO  54  12.777  -6.894  -8.337
  401    HG3  PRO  54           HG1      PRO  54  11.269  -7.507  -7.644
  402    HD2  PRO  54           HD2      PRO  54  12.684  -5.197  -6.844
  403    HD3  PRO  54           HD1      PRO  54  11.320  -5.951  -5.999
  404    H    HIS  55           HN       HIS  55  15.964  -6.973  -4.514
  405    HA   HIS  55           HA       HIS  55  17.748  -7.210  -6.821
  406    HB2  HIS  55           HB2      HIS  55  16.914  -4.834  -6.619
  407    HB3  HIS  55           HB1      HIS  55  17.731  -4.754  -5.061
  408    HD1  HIS  55           HD1      HIS  55  18.666  -5.613  -8.655
  409    HD2  HIS  55           HD2      HIS  55  20.246  -3.789  -5.272
  410    HE1  HIS  55           HE1      HIS  55  20.937  -4.780  -9.334
  411    HE2  HIS  55           HE2      HIS  55  21.841  -3.601  -7.300
  412    H    ALA  56           HN       ALA  56  17.851  -9.127  -5.100
  413    HA   ALA  56           HA       ALA  56  19.672  -8.607  -2.919
  414    HB1  ALA  56           HB1      ALA  56  17.978 -10.371  -2.744
  415    HB2  ALA  56           HB2      ALA  56  19.610 -11.010  -2.549
  416    HB3  ALA  56           HB3      ALA  56  18.751 -11.238  -4.073
  417    H    GLU  57           HN       GLU  57  20.003  -8.743  -6.149
  418    HA   GLU  57           HA       GLU  57  22.226 -10.296  -6.720
  419    HB2  GLU  57           HB2      GLU  57  20.793  -9.145  -8.390
  420    HB3  GLU  57           HB1      GLU  57  21.485  -7.607  -7.901
  421    HG2  GLU  57           HG2      GLU  57  23.687  -8.372  -8.657
  422    HG3  GLU  57           HG1      GLU  57  22.967  -9.896  -9.174
  423    H    HIS  58           HN       HIS  58  22.014  -7.136  -5.217
  424    HA   HIS  58           HA       HIS  58  24.839  -7.284  -4.515
  425    HB2  HIS  58           HB2      HIS  58  24.795  -6.003  -6.621
  426    HB3  HIS  58           HB1      HIS  58  23.643  -4.877  -5.917
  427    HD1  HIS  58           HD1      HIS  58  27.264  -5.779  -5.930
  428    HD2  HIS  58           HD2      HIS  58  24.751  -3.002  -4.129
  429    HE1  HIS  58           HE1      HIS  58  28.779  -4.066  -4.896
  430    HE2  HIS  58           HE2      HIS  58  27.243  -2.514  -3.652
  431    H    VAL  59           HN       VAL  59  24.051  -7.637  -2.391
  432    HA   VAL  59           HA       VAL  59  23.317  -5.127  -1.073
  433    HB   VAL  59           HB       VAL  59  21.929  -6.541   0.574
  434   HG11  VAL  59          HG11      VAL  59  19.906  -6.222  -0.756
  435   HG12  VAL  59          HG12      VAL  59  20.883  -6.047  -2.213
  436   HG13  VAL  59          HG13      VAL  59  20.998  -4.847  -0.927
  437   HG21  VAL  59          HG21      VAL  59  22.577  -8.745  -0.294
  438   HG22  VAL  59          HG22      VAL  59  21.807  -8.361  -1.835
  439   HG23  VAL  59          HG23      VAL  59  20.832  -8.503  -0.372
  440    H    ARG  60           HN       ARG  60  25.571  -5.052  -0.606
  441    HA   ARG  60           HA       ARG  60  26.629  -7.153   1.127
  442    HB2  ARG  60           HB2      ARG  60  27.963  -4.810  -0.231
  443    HB3  ARG  60           HB1      ARG  60  28.800  -5.886   0.876
  444    HG2  ARG  60           HG2      ARG  60  27.528  -6.648  -1.745
  445    HG3  ARG  60           HG1      ARG  60  29.253  -6.509  -1.404
  446    HD2  ARG  60           HD2      ARG  60  27.339  -8.485  -0.162
  447    HD3  ARG  60           HD1      ARG  60  28.569  -8.840  -1.371
  448    HE   ARG  60           HE       ARG  60  30.136  -7.916   0.487
  449   HH11  ARG  60          HH11      ARG  60  27.283  -9.887   0.959
  450   HH12  ARG  60          HH12      ARG  60  27.885 -10.642   2.399
  451   HH21  ARG  60          HH21      ARG  60  30.941  -8.917   2.380
  452   HH22  ARG  60          HH22      ARG  60  29.971 -10.094   3.204
  453    H    GLY  61           HN       GLY  61  25.032  -4.262   1.456
  454    HA2  GLY  61           HA2      GLY  61  26.297  -3.537   3.983
  455    HA3  GLY  61           HA1      GLY  61  24.928  -2.722   3.233
  456    H    TYR  62           HN       TYR  62  22.860  -3.357   3.738
  457    HA   TYR  62           HA       TYR  62  22.613  -5.531   5.700
  458    HB2  TYR  62           HB2      TYR  62  20.505  -3.485   4.935
  459    HB3  TYR  62           HB1      TYR  62  20.442  -4.618   6.285
  460    HD1  TYR  62           HD2      TYR  62  22.656  -4.379   7.859
  461    HD2  TYR  62           HD1      TYR  62  20.917  -1.282   5.518
  462    HE1  TYR  62           HE2      TYR  62  23.659  -2.701   9.347
  463    HE2  TYR  62           HE1      TYR  62  21.920   0.406   7.000
  464    HH   TYR  62           HH       TYR  62  22.764   0.594   9.267
  465    H    ALA  63           HN       ALA  63  21.839  -7.426   5.016
  466    HA   ALA  63           HA       ALA  63  20.797  -7.675   2.327
  467    HB1  ALA  63           HB1      ALA  63  20.876 -10.074   2.728
  468    HB2  ALA  63           HB2      ALA  63  21.246  -9.794   4.429
  469    HB3  ALA  63           HB3      ALA  63  22.403  -9.320   3.185
  470    H    HIS  64           HN       HIS  64  19.112  -6.125   3.642
  471    HA   HIS  64           HA       HIS  64  16.807  -7.846   4.295
  472    HB2  HIS  64           HB2      HIS  64  17.591  -5.158   5.445
  473    HB3  HIS  64           HB1      HIS  64  15.971  -5.826   5.609
  474    HD1  HIS  64           HD1      HIS  64  15.891  -6.299   8.053
  475    HD2  HIS  64           HD2      HIS  64  19.328  -7.815   6.269
  476    HE1  HIS  64           HE1      HIS  64  17.043  -7.655   9.832
  477    HE2  HIS  64           HE2      HIS  64  19.077  -8.625   8.708
  478    HA   PRO  65           HA       PRO  65  15.758  -5.602   0.436
  479    HB2  PRO  65           HB2      PRO  65  13.885  -7.442  -0.338
  480    HB3  PRO  65           HB1      PRO  65  15.606  -7.582  -0.714
  481    HG2  PRO  65           HG2      PRO  65  14.024  -8.898   1.456
  482    HG3  PRO  65           HG1      PRO  65  15.285  -9.583   0.415
  483    HD2  PRO  65           HD2      PRO  65  15.778  -8.829   2.953
  484    HD3  PRO  65           HD1      PRO  65  16.996  -8.671   1.672
  485    H    LEU  66           HN       LEU  66  14.058  -4.259   0.062
  486    HA   LEU  66           HA       LEU  66  12.270  -3.654   2.140
  487    HB2  LEU  66           HB2      LEU  66  12.921  -1.979   0.544
  488    HB3  LEU  66           HB1      LEU  66  12.252  -2.911  -0.780
  489    HG   LEU  66           HG       LEU  66   9.982  -2.577   0.193
  490   HD11  LEU  66          HD11      LEU  66  11.427  -0.689   2.047
  491   HD12  LEU  66          HD12      LEU  66  10.619  -2.187   2.509
  492   HD13  LEU  66          HD13      LEU  66   9.678  -0.835   1.879
  493   HD21  LEU  66          HD21      LEU  66   9.774  -0.270  -0.539
  494   HD22  LEU  66          HD22      LEU  66  10.845  -1.169  -1.614
  495   HD23  LEU  66          HD23      LEU  66  11.520  -0.058  -0.421
  496    H    ASN  67           HN       ASN  67  10.497  -4.652   2.744
  497    HA   ASN  67           HA       ASN  67   8.715  -5.826   0.762
  498    HB2  ASN  67           HB2      ASN  67  10.195  -7.677   1.649
  499    HB3  ASN  67           HB1      ASN  67   9.528  -7.357   3.249
  500   HD21  ASN  67          HD21      ASN  67   7.317  -7.798   3.631
  501   HD22  ASN  67          HD22      ASN  67   6.444  -8.913   2.639
  502    H    LEU  68           HN       LEU  68   7.331  -4.161   1.161
  503    HA   LEU  68           HA       LEU  68   6.404  -3.770   3.921
  504    HB2  LEU  68           HB2      LEU  68   7.204  -1.734   2.952
  505    HB3  LEU  68           HB1      LEU  68   6.321  -2.020   1.466
  506    HG   LEU  68           HG       LEU  68   4.195  -1.703   2.719
  507   HD11  LEU  68          HD11      LEU  68   4.284  -0.654   4.919
  508   HD12  LEU  68          HD12      LEU  68   6.035  -0.857   4.946
  509   HD13  LEU  68          HD13      LEU  68   4.982  -2.271   4.944
  510   HD21  LEU  68          HD21      LEU  68   4.419   0.734   2.924
  511   HD22  LEU  68          HD22      LEU  68   5.148   0.116   1.443
  512   HD23  LEU  68          HD23      LEU  68   6.170   0.570   2.806
  513    H    ALA  69           HN       ALA  69   4.399  -4.289   4.490
  514    HA   ALA  69           HA       ALA  69   2.480  -4.936   2.343
  515    HB1  ALA  69           HB1      ALA  69   1.390  -6.459   3.893
  516    HB2  ALA  69           HB2      ALA  69   2.524  -6.005   5.165
  517    HB3  ALA  69           HB3      ALA  69   3.102  -6.868   3.739
  518    H    LEU  70           HN       LEU  70   1.259  -3.190   2.055
  519    HA   LEU  70           HA       LEU  70   0.490  -1.509   4.304
  520    HB2  LEU  70           HB2      LEU  70   0.072  -1.282   1.321
  521    HB3  LEU  70           HB1      LEU  70  -0.597  -0.137   2.470
  522    HG   LEU  70           HG       LEU  70   2.362  -0.676   2.209
  523   HD11  LEU  70          HD11      LEU  70   0.706   1.499   0.944
  524   HD12  LEU  70          HD12      LEU  70   1.514   0.178   0.099
  525   HD13  LEU  70          HD13      LEU  70   2.467   1.403   0.937
  526   HD21  LEU  70          HD21      LEU  70   2.512   1.522   3.338
  527   HD22  LEU  70          HD22      LEU  70   1.748   0.282   4.331
  528   HD23  LEU  70          HD23      LEU  70   0.760   1.506   3.533
  529    H    THR  71           HN       THR  71  -1.384  -1.776   5.366
  530    HA   THR  71           HA       THR  71  -3.676  -2.839   3.893
  531    HB   THR  71           HB       THR  71  -4.307  -4.053   6.073
  532    HG1  THR  71           HG1      THR  71  -1.835  -3.075   6.717
  533   HG21  THR  71          HG21      THR  71  -3.666  -5.285   4.077
  534   HG22  THR  71          HG22      THR  71  -2.959  -6.043   5.502
  535   HG23  THR  71          HG23      THR  71  -1.958  -5.043   4.450
  536    H    TRP  72           HN       TRP  72  -5.715  -2.128   4.735
  537    HA   TRP  72           HA       TRP  72  -5.486   0.244   6.462
  538    HB2  TRP  72           HB2      TRP  72  -7.030  -0.080   3.888
  539    HB3  TRP  72           HB1      TRP  72  -7.344   1.228   5.031
  540    HD1  TRP  72           HD1      TRP  72  -5.537   3.181   5.190
  541    HE1  TRP  72           HE1      TRP  72  -3.617   3.894   3.639
  542    HE3  TRP  72           HE3      TRP  72  -5.244  -1.005   2.268
  543    HZ2  TRP  72           HZ2      TRP  72  -2.171   2.837   1.467
  544    HZ3  TRP  72           HZ3      TRP  72  -3.562  -1.070   0.472
  545    HH2  TRP  72           HH2      TRP  72  -2.061   0.816   0.086
  546    H    ASN  73           HN       ASN  73  -7.452   0.879   7.528
  547    HA   ASN  73           HA       ASN  73  -8.754  -1.215   8.852
  548    HB2  ASN  73           HB2      ASN  73  -9.419   1.717   8.568
  549    HB3  ASN  73           HB1      ASN  73 -10.348   0.630   9.596
  550   HD21  ASN  73          HD21      ASN  73  -8.621   2.994  10.185
  551   HD22  ASN  73          HD22      ASN  73  -7.491   2.429  11.365
  552    H    THR  74           HN       THR  74 -10.643  -2.241   8.558
  553    HA   THR  74           HA       THR  74 -11.705  -2.488   5.972
  554    HB   THR  74           HB       THR  74 -13.066  -3.285   8.554
  555    HG1  THR  74           HG1      THR  74 -10.722  -4.117   7.441
  556   HG21  THR  74          HG21      THR  74 -14.052  -5.065   7.203
  557   HG22  THR  74          HG22      THR  74 -13.197  -4.481   5.777
  558   HG23  THR  74          HG23      THR  74 -14.451  -3.489   6.521
  559    H    ASP  75           HN       ASP  75 -12.565  -0.429   8.652
  560    HA   ASP  75           HA       ASP  75 -15.106   0.420   7.773
  561    HB2  ASP  75           HB2      ASP  75 -13.012   1.879   9.400
  562    HB3  ASP  75           HB1      ASP  75 -14.671   2.429   9.189
  563    H    GLU  76           HN       GLU  76 -11.870   1.712   7.218
  564    HA   GLU  76           HA       GLU  76 -12.478   3.807   5.509
  565    HB2  GLU  76           HB2      GLU  76 -10.117   1.924   5.403
  566    HB3  GLU  76           HB1      GLU  76 -10.224   3.429   4.505
  567    HG2  GLU  76           HG2      GLU  76 -10.256   3.155   7.497
  568    HG3  GLU  76           HG1      GLU  76  -8.889   3.678   6.518
  569    H    ILE  77           HN       ILE  77 -11.866   0.413   4.684
  570    HA   ILE  77           HA       ILE  77 -12.257   0.602   1.921
  571    HB   ILE  77           HB       ILE  77 -12.921  -1.760   3.692
  572   HG12  ILE  77          HG12      ILE  77 -10.314  -1.015   2.327
  573   HG13  ILE  77          HG11      ILE  77 -10.621  -0.970   4.061
  574   HG21  ILE  77          HG21      ILE  77 -12.532  -3.109   1.696
  575   HG22  ILE  77          HG22      ILE  77 -12.212  -1.651   0.761
  576   HG23  ILE  77          HG23      ILE  77 -13.822  -1.938   1.415
  577   HD11  ILE  77          HD11      ILE  77  -9.335  -2.938   3.420
  578   HD12  ILE  77          HD12      ILE  77 -10.638  -3.444   2.343
  579   HD13  ILE  77          HD13      ILE  77 -10.905  -3.388   4.085
  580    H    GLU  78           HN       GLU  78 -14.549   0.011   4.527
  581    HA   GLU  78           HA       GLU  78 -16.897  -0.370   3.063
  582    HB2  GLU  78           HB2      GLU  78 -16.609  -0.725   5.515
  583    HB3  GLU  78           HB1      GLU  78 -16.541   1.014   5.735
  584    HG2  GLU  78           HG2      GLU  78 -18.710   0.409   6.332
  585    HG3  GLU  78           HG1      GLU  78 -18.858   1.085   4.712
  586    H    ARG  79           HN       ARG  79 -15.456   2.594   4.358
  587    HA   ARG  79           HA       ARG  79 -17.462   4.352   3.486
  588    HB2  ARG  79           HB2      ARG  79 -15.741   4.801   5.264
  589    HB3  ARG  79           HB1      ARG  79 -14.561   5.026   3.982
  590    HG2  ARG  79           HG2      ARG  79 -15.183   7.189   4.452
  591    HG3  ARG  79           HG1      ARG  79 -16.231   6.796   3.090
  592    HD2  ARG  79           HD2      ARG  79 -17.001   6.689   6.005
  593    HD3  ARG  79           HD1      ARG  79 -17.443   7.961   4.871
  594    HE   ARG  79           HE       ARG  79 -18.432   5.750   3.689
  595   HH11  ARG  79          HH11      ARG  79 -18.693   7.012   6.935
  596   HH12  ARG  79          HH12      ARG  79 -20.268   6.346   7.212
  597   HH21  ARG  79          HH21      ARG  79 -20.507   4.831   4.057
  598   HH22  ARG  79          HH22      ARG  79 -21.291   5.091   5.584
  599    H    LEU  80           HN       LEU  80 -14.704   3.002   1.833
  600    HA   LEU  80           HA       LEU  80 -14.339   5.006  -0.110
  601    HB2  LEU  80           HB2      LEU  80 -13.738   2.056  -0.224
  602    HB3  LEU  80           HB1      LEU  80 -13.245   3.199  -1.457
  603    HG   LEU  80           HG       LEU  80 -12.340   3.156   1.424
  604   HD11  LEU  80          HD11      LEU  80 -11.327   1.434   0.027
  605   HD12  LEU  80          HD12      LEU  80 -10.152   2.675   0.459
  606   HD13  LEU  80          HD13      LEU  80 -10.860   2.657  -1.155
  607   HD21  LEU  80          HD21      LEU  80 -12.493   5.456   0.734
  608   HD22  LEU  80          HD22      LEU  80 -11.697   5.094  -0.795
  609   HD23  LEU  80          HD23      LEU  80 -10.796   4.976   0.716
  610    H    MET  81           HN       MET  81 -16.783   2.600   0.187
  611    HA   MET  81           HA       MET  81 -17.491   2.493  -2.582
  612    HB2  MET  81           HB2      MET  81 -19.188   1.840  -0.167
  613    HB3  MET  81           HB1      MET  81 -19.509   1.348  -1.823
  614    HG2  MET  81           HG2      MET  81 -17.357   0.078  -1.777
  615    HG3  MET  81           HG1      MET  81 -17.250   0.450  -0.053
  616    HE1  MET  81           HE1      MET  81 -20.460  -1.325   1.332
  617    HE2  MET  81           HE2      MET  81 -20.376   0.331   0.734
  618    HE3  MET  81           HE3      MET  81 -19.067  -0.318   1.722
  619    H    GLU  82           HN       GLU  82 -17.853   4.849  -0.233
  620    HA   GLU  82           HA       GLU  82 -20.220   5.999  -1.538
  621    HB2  GLU  82           HB2      GLU  82 -19.138   6.306   1.263
  622    HB3  GLU  82           HB1      GLU  82 -20.387   7.354   0.610
  623    HG2  GLU  82           HG2      GLU  82 -20.625   4.364   0.797
  624    HG3  GLU  82           HG1      GLU  82 -21.225   5.484   2.012
  625    H    ALA  83           HN       ALA  83 -20.264   8.389  -1.683
  626    HA   ALA  83           HA       ALA  83 -18.198   9.331  -3.236
  627    HB1  ALA  83           HB1      ALA  83 -19.211  11.540  -3.012
  628    HB2  ALA  83           HB2      ALA  83 -20.147  10.977  -1.630
  629    HB3  ALA  83           HB3      ALA  83 -20.437  10.292  -3.229
  630    H    ASP  84           HN       ASP  84 -18.766  10.137   0.194
  631    HA   ASP  84           HA       ASP  84 -16.600  11.920   0.436
  632    HB2  ASP  84           HB2      ASP  84 -17.980  10.294   2.590
  633    HB3  ASP  84           HB1      ASP  84 -16.864  11.621   2.892
  634    H    GLY  85           HN       GLY  85 -16.742   8.479   0.488
  635    HA2  GLY  85           HA2      GLY  85 -14.275   8.093   1.919
  636    HA3  GLY  85           HA1      GLY  85 -15.192   6.865   1.047
  637    H    ALA  86           HN       ALA  86 -15.278   7.670  -1.486
  638    HA   ALA  86           HA       ALA  86 -12.812   7.235  -2.602
  639    HB1  ALA  86           HB1      ALA  86 -13.769   8.066  -4.688
  640    HB2  ALA  86           HB2      ALA  86 -15.095   8.805  -3.792
  641    HB3  ALA  86           HB3      ALA  86 -14.919   7.049  -3.821
  642    H    ALA  87           HN       ALA  87 -14.308  10.324  -1.745
  643    HA   ALA  87           HA       ALA  87 -12.392  12.040  -2.812
  644    HB1  ALA  87           HB1      ALA  87 -14.003  12.419  -0.291
  645    HB2  ALA  87           HB2      ALA  87 -14.544  12.798  -1.927
  646    HB3  ALA  87           HB3      ALA  87 -13.201  13.691  -1.214
  647    H    ARG  88           HN       ARG  88 -12.394  10.248   0.235
  648    HA   ARG  88           HA       ARG  88 -10.078  11.526   1.308
  649    HB2  ARG  88           HB2      ARG  88 -11.360   8.859   1.922
  650    HB3  ARG  88           HB1      ARG  88  -9.995   9.509   2.816
  651    HG2  ARG  88           HG2      ARG  88 -12.690  10.836   2.578
  652    HG3  ARG  88           HG1      ARG  88 -12.151   9.866   3.950
  653    HD2  ARG  88           HD2      ARG  88 -10.320  11.450   4.342
  654    HD3  ARG  88           HD1      ARG  88 -10.863  12.417   2.972
  655    HE   ARG  88           HE       ARG  88 -12.878  11.981   4.988
  656   HH11  ARG  88          HH11      ARG  88 -10.210  14.026   4.005
  657   HH12  ARG  88          HH12      ARG  88 -10.804  15.421   4.846
  658   HH21  ARG  88          HH21      ARG  88 -13.660  13.827   6.096
  659   HH22  ARG  88          HH22      ARG  88 -12.762  15.310   6.018
  660    H    PHE  89           HN       PHE  89 -10.649   8.776  -0.770
  661    HA   PHE  89           HA       PHE  89  -8.086   7.636  -0.716
  662    HB2  PHE  89           HB2      PHE  89 -10.079   6.527  -1.678
  663    HB3  PHE  89           HB1      PHE  89 -10.067   7.686  -3.006
  664    HD1  PHE  89           HD2      PHE  89  -8.104   4.977  -1.413
  665    HD2  PHE  89           HD1      PHE  89  -8.760   7.302  -4.920
  666    HE1  PHE  89           HE2      PHE  89  -6.621   3.489  -2.678
  667    HE2  PHE  89           HE1      PHE  89  -7.283   5.811  -6.189
  668    HZ   PHE  89           HZ       PHE  89  -6.207   3.902  -5.069
  669    H    GLU  90           HN       GLU  90  -9.469  10.140  -2.843
  670    HA   GLU  90           HA       GLU  90  -7.174  10.444  -4.469
  671    HB2  GLU  90           HB2      GLU  90  -9.314  12.486  -3.819
  672    HB3  GLU  90           HB1      GLU  90  -8.182  12.582  -5.159
  673    HG2  GLU  90           HG2      GLU  90 -10.343  10.514  -4.799
  674    HG3  GLU  90           HG1      GLU  90 -10.375  11.877  -5.912
  675    H    ARG  91           HN       ARG  91  -8.198  11.852  -1.447
  676    HA   ARG  91           HA       ARG  91  -6.218  13.864  -1.233
  677    HB2  ARG  91           HB2      ARG  91  -8.233  13.937   0.107
  678    HB3  ARG  91           HB1      ARG  91  -7.844  12.396   0.851
  679    HG2  ARG  91           HG2      ARG  91  -7.410  14.186   2.392
  680    HG3  ARG  91           HG1      ARG  91  -5.893  13.424   1.919
  681    HD2  ARG  91           HD2      ARG  91  -5.443  15.233   0.362
  682    HD3  ARG  91           HD1      ARG  91  -6.994  15.978   0.753
  683    HE   ARG  91           HE       ARG  91  -5.551  15.667   3.134
  684   HH11  ARG  91          HH11      ARG  91  -5.352  17.504   0.158
  685   HH12  ARG  91          HH12      ARG  91  -4.528  18.839   0.893
  686   HH21  ARG  91          HH21      ARG  91  -4.483  17.399   4.101
  687   HH22  ARG  91          HH22      ARG  91  -4.030  18.787   3.156
  688    H    TYR  92           HN       TYR  92  -6.281  10.448  -0.519
  689    HA   TYR  92           HA       TYR  92  -3.896  10.484   1.088
  690    HB2  TYR  92           HB2      TYR  92  -5.671   8.807   1.449
  691    HB3  TYR  92           HB1      TYR  92  -5.383   8.162  -0.163
  692    HD1  TYR  92           HD1      TYR  92  -3.690   8.738   3.108
  693    HD2  TYR  92           HD2      TYR  92  -3.835   6.439  -0.472
  694    HE1  TYR  92           HE1      TYR  92  -2.007   7.201   4.031
  695    HE2  TYR  92           HE2      TYR  92  -2.150   4.900   0.444
  696    HH   TYR  92           HH       TYR  92  -1.209   4.962   3.746
  697    H    LEU  93           HN       LEU  93  -4.740   9.912  -2.261
  698    HA   LEU  93           HA       LEU  93  -2.366   8.697  -3.124
  699    HB2  LEU  93           HB2      LEU  93  -4.233  10.527  -4.644
  700    HB3  LEU  93           HB1      LEU  93  -2.968   9.559  -5.379
  701    HG   LEU  93           HG       LEU  93  -5.378   8.475  -3.917
  702   HD11  LEU  93          HD11      LEU  93  -5.955   9.499  -6.047
  703   HD12  LEU  93          HD12      LEU  93  -6.105   7.744  -6.128
  704   HD13  LEU  93          HD13      LEU  93  -4.710   8.544  -6.853
  705   HD21  LEU  93          HD21      LEU  93  -4.629   6.305  -4.862
  706   HD22  LEU  93          HD22      LEU  93  -3.519   6.966  -3.664
  707   HD23  LEU  93          HD23      LEU  93  -3.136   7.086  -5.382
  708    H    ALA  94           HN       ALA  94  -3.292  12.119  -3.018
  709    HA   ALA  94           HA       ALA  94  -0.834  13.096  -4.024
  710    HB1  ALA  94           HB1      ALA  94  -2.876  14.492  -2.302
  711    HB2  ALA  94           HB2      ALA  94  -2.868  14.432  -4.064
  712    HB3  ALA  94           HB3      ALA  94  -1.580  15.277  -3.204
  713    H    ALA  95           HN       ALA  95  -1.696  11.832  -0.975
  714    HA   ALA  95           HA       ALA  95   0.457  13.259   0.399
  715    HB1  ALA  95           HB1      ALA  95  -1.660  11.441   1.529
  716    HB2  ALA  95           HB2      ALA  95  -1.750  13.201   1.468
  717    HB3  ALA  95           HB3      ALA  95  -0.515  12.414   2.452
  718    H    LEU  96           HN       LEU  96   0.200  10.535  -1.393
  719    HA   LEU  96           HA       LEU  96   1.296   8.465   0.045
  720    HB2  LEU  96           HB2      LEU  96   1.733   9.219  -2.834
  721    HB3  LEU  96           HB1      LEU  96   2.369   7.745  -2.138
  722    HG   LEU  96           HG       LEU  96  -0.561   8.446  -2.211
  723   HD11  LEU  96          HD11      LEU  96   1.018   6.607  -4.005
  724   HD12  LEU  96          HD12      LEU  96   0.340   8.169  -4.467
  725   HD13  LEU  96          HD13      LEU  96  -0.731   6.836  -4.031
  726   HD21  LEU  96          HD21      LEU  96  -0.035   6.909  -0.426
  727   HD22  LEU  96          HD22      LEU  96   0.907   5.903  -1.525
  728   HD23  LEU  96          HD23      LEU  96  -0.841   6.035  -1.728
  729    HA   PRO  97           HA       PRO  97   5.822  10.067  -0.913
  730    HB2  PRO  97           HB2      PRO  97   5.986  12.807  -1.115
  731    HB3  PRO  97           HB1      PRO  97   5.970  11.706  -2.495
  732    HG2  PRO  97           HG2      PRO  97   3.714  13.266  -1.292
  733    HG3  PRO  97           HG1      PRO  97   4.114  13.017  -3.003
  734    HD2  PRO  97           HD2      PRO  97   2.161  11.625  -1.831
  735    HD3  PRO  97           HD1      PRO  97   3.240  10.861  -3.019
  736    H    ARG  98           HN       ARG  98   3.411  11.854   0.881
  737    HA   ARG  98           HA       ARG  98   5.266  12.839   2.860
  738    HB2  ARG  98           HB2      ARG  98   3.192  14.053   2.134
  739    HB3  ARG  98           HB1      ARG  98   2.246  12.804   2.929
  740    HG2  ARG  98           HG2      ARG  98   3.179  13.412   5.073
  741    HG3  ARG  98           HG1      ARG  98   4.230  14.603   4.301
  742    HD2  ARG  98           HD2      ARG  98   1.219  14.630   4.416
  743    HD3  ARG  98           HD1      ARG  98   2.325  15.739   5.227
  744    HE   ARG  98           HE       ARG  98   2.868  15.890   2.507
  745   HH11  ARG  98          HH11      ARG  98   0.217  16.626   4.664
  746   HH12  ARG  98          HH12      ARG  98  -0.433  17.866   3.642
  747   HH21  ARG  98          HH21      ARG  98   2.003  17.487   1.146
  748   HH22  ARG  98          HH22      ARG  98   0.578  18.355   1.632
  749    H    LYS  99           HN       LYS  99   2.848  10.291   2.584
  750    HA   LYS  99           HA       LYS  99   3.037   9.371   5.267
  751    HB2  LYS  99           HB2      LYS  99   2.216   7.897   2.755
  752    HB3  LYS  99           HB1      LYS  99   1.943   7.333   4.389
  753    HG2  LYS  99           HG2      LYS  99   0.788   9.869   3.256
  754    HG3  LYS  99           HG1      LYS  99  -0.053   8.319   3.303
  755    HD2  LYS  99           HD2      LYS  99   0.158   8.306   5.758
  756    HD3  LYS  99           HD1      LYS  99   0.944   9.886   5.684
  757    HE2  LYS  99           HE2      LYS  99  -1.054  10.856   4.700
  758    HE3  LYS  99           HE1      LYS  99  -1.836   9.279   4.684
  759    HZ1  LYS  99           HZ1      LYS  99  -0.964  10.727   7.123
  760    HZ2  LYS  99           HZ2      LYS  99  -1.767   9.239   7.084
  761    HZ3  LYS  99           HZ3      LYS  99  -2.556  10.638   6.555
  762    H    LEU 100           HN       LEU 100   4.581   8.559   2.234
  763    HA   LEU 100           HA       LEU 100   6.072   6.346   2.950
  764    HB2  LEU 100           HB2      LEU 100   5.763   7.471   0.666
  765    HB3  LEU 100           HB1      LEU 100   7.075   8.531   1.140
  766    HG   LEU 100           HG       LEU 100   8.457   6.406   1.471
  767   HD11  LEU 100          HD11      LEU 100   6.176   5.277  -0.137
  768   HD12  LEU 100          HD12      LEU 100   6.666   4.789   1.485
  769   HD13  LEU 100          HD13      LEU 100   7.732   4.486   0.115
  770   HD21  LEU 100          HD21      LEU 100   7.518   7.163  -1.289
  771   HD22  LEU 100          HD22      LEU 100   8.996   6.279  -0.912
  772   HD23  LEU 100          HD23      LEU 100   8.806   7.948  -0.376
  773    H    ALA 101           HN       ALA 101   6.940   9.782   3.144
  774    HA   ALA 101           HA       ALA 101   9.545   9.440   4.135
  775    HB1  ALA 101           HB1      ALA 101   9.434  11.791   4.739
  776    HB2  ALA 101           HB2      ALA 101   7.681  11.771   4.551
  777    HB3  ALA 101           HB3      ALA 101   8.720  11.527   3.148
  778    H    ALA 102           HN       ALA 102   6.431   9.659   5.751
  779    HA   ALA 102           HA       ALA 102   7.426   9.981   8.378
  780    HB1  ALA 102           HB1      ALA 102   5.165   9.383   9.092
  781    HB2  ALA 102           HB2      ALA 102   4.787   8.849   7.454
  782    HB3  ALA 102           HB3      ALA 102   5.136  10.548   7.769
  783    H    TRP 103           HN       TRP 103   6.458   7.122   6.514
  784    HA   TRP 103           HA       TRP 103   6.777   5.271   8.625
  785    HB2  TRP 103           HB2      TRP 103   6.902   4.832   5.628
  786    HB3  TRP 103           HB1      TRP 103   6.805   3.543   6.828
  787    HD1  TRP 103           HD1      TRP 103   4.553   4.889   8.692
  788    HE1  TRP 103           HE1      TRP 103   2.130   4.977   7.842
  789    HE3  TRP 103           HE3      TRP 103   5.445   4.345   3.698
  790    HZ2  TRP 103           HZ2      TRP 103   0.776   4.842   5.363
  791    HZ3  TRP 103           HZ3      TRP 103   3.535   4.333   2.152
  792    HH2  TRP 103           HH2      TRP 103   1.248   4.574   2.970
  793    H    GLU 104           HN       GLU 104   8.990   6.509   6.181
  794    HA   GLU 104           HA       GLU 104  11.139   4.768   6.633
  795    HB2  GLU 104           HB2      GLU 104  11.285   7.702   5.911
  796    HB3  GLU 104           HB1      GLU 104  12.567   6.523   5.697
  797    HG2  GLU 104           HG2      GLU 104  10.979   5.280   4.162
  798    HG3  GLU 104           HG1      GLU 104   9.961   6.724   4.222
  799    H    ASN 105           HN       ASN 105  10.345   7.872   8.097
  800    HA   ASN 105           HA       ASN 105  12.582   8.064   9.789
  801    HB2  ASN 105           HB2      ASN 105  11.144   9.976   9.185
  802    HB3  ASN 105           HB1      ASN 105   9.825   9.274  10.111
  803   HD21  ASN 105          HD21      ASN 105  13.211   9.301  11.079
  804   HD22  ASN 105          HD22      ASN 105  12.999  10.345  12.438
  805    H    ALA 106           HN       ALA 106   9.406   6.598  10.245
  806    HA   ALA 106           HA       ALA 106   9.820   6.291  13.082
  807    HB1  ALA 106           HB1      ALA 106   7.597   5.229  11.348
  808    HB2  ALA 106           HB2      ALA 106   7.600   6.789  12.168
  809    HB3  ALA 106           HB3      ALA 106   7.608   5.297  13.109
  810    H    ARG 107           HN       ARG 107   9.657   4.066  10.287
  811    HA   ARG 107           HA       ARG 107  10.051   1.846  12.147
  812    HB2  ARG 107           HB2      ARG 107   9.328   1.845   9.221
  813    HB3  ARG 107           HB1      ARG 107   9.553   0.392  10.182
  814    HG2  ARG 107           HG2      ARG 107   7.439   2.507  10.553
  815    HG3  ARG 107           HG1      ARG 107   7.210   0.852   9.989
  816    HD2  ARG 107           HD2      ARG 107   8.029   1.752  12.752
  817    HD3  ARG 107           HD1      ARG 107   6.531   0.953  12.287
  818    HE   ARG 107           HE       ARG 107   8.704  -0.697  11.600
  819   HH11  ARG 107          HH11      ARG 107   6.987   0.483  14.406
  820   HH12  ARG 107          HH12      ARG 107   7.397  -0.882  15.395
  821   HH21  ARG 107          HH21      ARG 107   9.282  -2.490  12.903
  822   HH22  ARG 107          HH22      ARG 107   8.697  -2.577  14.537
  823    H    GLY 108           HN       GLY 108  12.072   3.766  10.337
  824    HA2  GLY 108           HA2      GLY 108  14.355   3.524   9.985
  825    HA3  GLY 108           HA1      GLY 108  14.251   1.924  10.712
  826    H    VAL 109           HN       VAL 109  12.881   3.483   7.846
  827    HA   VAL 109           HA       VAL 109  13.825   1.208   6.232
  828    HB   VAL 109           HB       VAL 109  11.123   2.553   5.957
  829   HG11  VAL 109          HG11      VAL 109  12.033   1.824   3.811
  830   HG12  VAL 109          HG12      VAL 109  10.638   0.855   4.282
  831   HG13  VAL 109          HG13      VAL 109  12.265   0.201   4.458
  832   HG21  VAL 109          HG21      VAL 109  11.778  -0.232   6.908
  833   HG22  VAL 109          HG22      VAL 109  10.161   0.430   6.668
  834   HG23  VAL 109          HG23      VAL 109  11.211   1.096   7.919
  835    H    ASP 110           HN       ASP 110  14.441   1.743   4.086
  836    HA   ASP 110           HA       ASP 110  14.207   4.570   3.338
  837    HB2  ASP 110           HB2      ASP 110  16.519   4.100   4.278
  838    HB3  ASP 110           HB1      ASP 110  16.768   3.017   2.905
  839    H    PHE 111           HN       PHE 111  12.853   4.392   1.694
  840    HA   PHE 111           HA       PHE 111  12.624   2.057   0.104
  841    HB2  PHE 111           HB2      PHE 111  11.446   4.820  -0.191
  842    HB3  PHE 111           HB1      PHE 111  11.043   3.480  -1.259
  843    HD1  PHE 111           HD2      PHE 111  10.959   4.592   2.272
  844    HD2  PHE 111           HD1      PHE 111   9.445   1.884  -0.636
  845    HE1  PHE 111           HE2      PHE 111   9.231   3.860   3.857
  846    HE2  PHE 111           HE1      PHE 111   7.713   1.145   0.944
  847    HZ   PHE 111           HZ       PHE 111   7.644   2.093   3.221
  848    H    GLY 112           HN       GLY 112  14.427   5.020  -0.283
  849    HA2  GLY 112           HA2      GLY 112  14.895   4.731  -3.089
  850    HA3  GLY 112           HA1      GLY 112  15.802   5.756  -1.986
  851    H    SER 113           HN       SER 113  16.433   3.523  -0.207
  852    HA   SER 113           HA       SER 113  18.686   2.466  -1.709
  853    HB2  SER 113           HB2      SER 113  18.017   2.179   1.230
  854    HB3  SER 113           HB1      SER 113  19.561   1.797   0.464
  855    HG   SER 113           HG       SER 113  18.331   4.360   0.678
  856    H    ARG 114           HN       ARG 114  15.565   1.529  -0.978
  857    HA   ARG 114           HA       ARG 114  14.382  -0.379  -1.299
  858    HB2  ARG 114           HB2      ARG 114  16.899  -1.145  -2.771
  859    HB3  ARG 114           HB1      ARG 114  15.458  -2.156  -2.739
  860    HG2  ARG 114           HG2      ARG 114  14.174  -0.470  -3.851
  861    HG3  ARG 114           HG1      ARG 114  15.506   0.683  -3.736
  862    HD2  ARG 114           HD2      ARG 114  15.573  -1.919  -5.262
  863    HD3  ARG 114           HD1      ARG 114  15.318  -0.328  -5.976
  864    HE   ARG 114           HE       ARG 114  17.701  -0.299  -4.483
  865   HH11  ARG 114          HH11      ARG 114  16.412  -1.730  -7.402
  866   HH12  ARG 114          HH12      ARG 114  17.943  -1.748  -8.220
  867   HH21  ARG 114          HH21      ARG 114  19.711  -0.327  -5.538
  868   HH22  ARG 114          HH22      ARG 114  19.822  -0.941  -7.158
  869    H    THR 115           HN       THR 115  16.254  -0.072   1.018
  870    HA   THR 115           HA       THR 115  16.184  -2.853   1.911
  871    HB   THR 115           HB       THR 115  18.449  -2.209   3.107
  872    HG1  THR 115           HG1      THR 115  18.669  -0.723   0.688
  873   HG21  THR 115          HG21      THR 115  19.705  -3.214   1.238
  874   HG22  THR 115          HG22      THR 115  18.298  -3.005   0.196
  875   HG23  THR 115          HG23      THR 115  18.217  -4.094   1.580
  876    H    GLN 116           HN       GLN 116  16.623  -2.911   4.379
  877    HA   GLN 116           HA       GLN 116  15.636  -0.528   5.719
  878    HB2  GLN 116           HB2      GLN 116  13.755  -1.801   6.761
  879    HB3  GLN 116           HB1      GLN 116  13.570  -1.557   5.031
  880    HG2  GLN 116           HG2      GLN 116  14.290  -3.831   4.604
  881    HG3  GLN 116           HG1      GLN 116  14.567  -4.086   6.325
  882   HE21  GLN 116          HE21      GLN 116  12.796  -5.497   4.464
  883   HE22  GLN 116          HE22      GLN 116  11.216  -5.380   5.152
  884    H    ALA 117           HN       ALA 117  15.917  -0.526   7.954
  885    HA   ALA 117           HA       ALA 117  17.938  -2.328   8.951
  886    HB1  ALA 117           HB1      ALA 117  17.991   0.051   9.534
  887    HB2  ALA 117           HB2      ALA 117  17.855  -0.957  10.975
  888    HB3  ALA 117           HB3      ALA 117  16.438  -0.115  10.353
  889    H    ASP 118           HN       ASP 118  14.539  -2.109   8.938
  890    HA   ASP 118           HA       ASP 118  14.068  -3.837  11.198
  891    HB2  ASP 118           HB2      ASP 118  12.475  -2.045  10.083
  892    HB3  ASP 118           HB1      ASP 118  12.071  -3.373   8.996
  893    H    ALA 119           HN       ALA 119  12.861  -5.923  10.824
  894    HA   ALA 119           HA       ALA 119  14.273  -7.482   8.798
  895    HB1  ALA 119           HB1      ALA 119  13.418  -9.432   9.996
  896    HB2  ALA 119           HB2      ALA 119  12.470  -8.379  11.046
  897    HB3  ALA 119           HB3      ALA 119  14.232  -8.321  11.097
  898    H    LEU 120           HN       LEU 120  11.178  -6.137   9.458
  899    HA   LEU 120           HA       LEU 120  10.095  -6.851   6.945
  900    HB2  LEU 120           HB2      LEU 120   9.796  -9.026   8.038
  901    HB3  LEU 120           HB1      LEU 120   8.982  -8.258   9.381
  902    HG   LEU 120           HG       LEU 120   7.146  -7.595   7.870
  903   HD11  LEU 120          HD11      LEU 120   8.674  -9.204   5.840
  904   HD12  LEU 120          HD12      LEU 120   8.329  -7.475   5.779
  905   HD13  LEU 120          HD13      LEU 120   7.014  -8.641   5.649
  906   HD21  LEU 120          HD21      LEU 120   7.788 -10.538   7.874
  907   HD22  LEU 120          HD22      LEU 120   6.197  -9.828   7.601
  908   HD23  LEU 120          HD23      LEU 120   6.986  -9.645   9.167
  909    H    VAL 121           HN       VAL 121   8.719  -5.200   6.451
  910    HA   VAL 121           HA       VAL 121   7.668  -3.706   8.742
  911    HB   VAL 121           HB       VAL 121   9.201  -2.325   7.545
  912   HG11  VAL 121          HG11      VAL 121   9.194  -3.474   5.399
  913   HG12  VAL 121          HG12      VAL 121   8.954  -1.738   5.201
  914   HG13  VAL 121          HG13      VAL 121   7.586  -2.837   5.060
  915   HG21  VAL 121          HG21      VAL 121   7.757  -0.441   6.904
  916   HG22  VAL 121          HG22      VAL 121   7.257  -1.190   8.419
  917   HG23  VAL 121          HG23      VAL 121   6.363  -1.520   6.936
  918    H    LEU 122           HN       LEU 122   5.774  -4.580   9.101
  919    HA   LEU 122           HA       LEU 122   3.775  -4.621   6.945
  920    HB2  LEU 122           HB2      LEU 122   3.547  -5.734   9.748
  921    HB3  LEU 122           HB1      LEU 122   2.442  -6.007   8.417
  922    HG   LEU 122           HG       LEU 122   5.286  -7.016   8.559
  923   HD11  LEU 122          HD11      LEU 122   2.662  -8.465   8.884
  924   HD12  LEU 122          HD12      LEU 122   3.841  -8.143  10.155
  925   HD13  LEU 122          HD13      LEU 122   4.254  -9.219   8.822
  926   HD21  LEU 122          HD21      LEU 122   4.683  -8.329   6.584
  927   HD22  LEU 122          HD22      LEU 122   4.586  -6.597   6.268
  928   HD23  LEU 122          HD23      LEU 122   3.112  -7.529   6.532
  929    H    LEU 123           HN       LEU 123   1.966  -3.279   7.071
  930    HA   LEU 123           HA       LEU 123   1.868  -1.466   9.376
  931    HB2  LEU 123           HB2      LEU 123   1.656  -0.600   6.492
  932    HB3  LEU 123           HB1      LEU 123   1.437   0.438   7.887
  933    HG   LEU 123           HG       LEU 123   4.012  -0.880   7.029
  934   HD11  LEU 123          HD11      LEU 123   3.267   1.026   5.647
  935   HD12  LEU 123          HD12      LEU 123   4.755   1.356   6.535
  936   HD13  LEU 123          HD13      LEU 123   3.223   2.025   7.099
  937   HD21  LEU 123          HD21      LEU 123   3.931  -0.754   9.450
  938   HD22  LEU 123          HD22      LEU 123   3.447   0.941   9.367
  939   HD23  LEU 123          HD23      LEU 123   5.050   0.452   8.816
  940    H    GLY 124           HN       GLY 124  -0.006  -2.063  10.262
  941    HA2  GLY 124           HA2      GLY 124  -2.364  -2.233   8.489
  942    HA3  GLY 124           HA1      GLY 124  -2.198  -3.136   9.988
  943    H    GLY 125           HN       GLY 125  -4.446  -1.619   9.573
  944    HA2  GLY 125           HA2      GLY 125  -5.743  -0.235  10.884
  945    HA3  GLY 125           HA1      GLY 125  -4.331   0.069  11.886
  946    H    LEU 126           HN       LEU 126  -3.943   0.668   8.526
  947    HA   LEU 126           HA       LEU 126  -3.538   3.457   9.026
  948    HB2  LEU 126           HB2      LEU 126  -3.280   1.685   6.639
  949    HB3  LEU 126           HB1      LEU 126  -3.355   3.420   6.398
  950    HG   LEU 126           HG       LEU 126  -1.369   3.682   7.862
  951   HD11  LEU 126          HD11      LEU 126  -1.674   1.627   9.184
  952   HD12  LEU 126          HD12      LEU 126  -0.057   1.770   8.503
  953   HD13  LEU 126          HD13      LEU 126  -1.227   0.674   7.768
  954   HD21  LEU 126          HD21      LEU 126  -1.016   1.809   5.526
  955   HD22  LEU 126          HD22      LEU 126   0.245   2.805   6.251
  956   HD23  LEU 126          HD23      LEU 126  -1.126   3.567   5.446
  957    H    ASP 127           HN       ASP 127  -4.564   5.189   7.958
  958    HA   ASP 127           HA       ASP 127  -7.326   4.671   7.068
  959    HB2  ASP 127           HB2      ASP 127  -6.360   6.945   8.835
  960    HB3  ASP 127           HB1      ASP 127  -7.977   6.835   8.140
  961    H    PHE 128           HN       PHE 128  -8.178   6.459   5.682
  962    HA   PHE 128           HA       PHE 128  -6.037   7.375   3.904
  963    HB2  PHE 128           HB2      PHE 128  -9.035   7.251   3.541
  964    HB3  PHE 128           HB1      PHE 128  -7.933   7.924   2.346
  965    HD1  PHE 128           HD1      PHE 128  -6.461   6.484   1.057
  966    HD2  PHE 128           HD2      PHE 128  -9.139   4.882   3.948
  967    HE1  PHE 128           HE1      PHE 128  -6.124   4.236   0.115
  968    HE2  PHE 128           HE2      PHE 128  -8.809   2.628   3.013
  969    HZ   PHE 128           HZ       PHE 128  -7.297   2.300   1.093
  970    H    GLU 129           HN       GLU 129  -6.157   8.726   6.311
  971    HA   GLU 129           HA       GLU 129  -7.390  11.299   5.656
  972    HB2  GLU 129           HB2      GLU 129  -6.120  10.348   8.228
  973    HB3  GLU 129           HB1      GLU 129  -6.873  11.916   7.987
  974    HG2  GLU 129           HG2      GLU 129  -9.005  10.742   7.485
  975    HG3  GLU 129           HG1      GLU 129  -8.217   9.230   7.934
  976    H    ALA 130           HN       ALA 130  -6.209  13.080   5.202
  977    HA   ALA 130           HA       ALA 130  -3.315  12.987   5.653
  978    HB1  ALA 130           HB1      ALA 130  -2.793  13.753   3.462
  979    HB2  ALA 130           HB2      ALA 130  -4.495  13.959   3.062
  980    HB3  ALA 130           HB3      ALA 130  -3.833  12.339   3.284
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -22.008  -2.332  11.567
    2    H2   GLY   1           HT2      GLY   1 -22.409  -1.784  13.113
    3    H3   GLY   1           HT3      GLY   1 -23.424  -2.869  12.313
    4    HA2  GLY   1           HA1      GLY   1 -20.677  -3.426  13.275
    5    HA3  GLY   1           HA2      GLY   1 -22.165  -4.021  13.997
    6    H    ALA   2           HN       ALA   2 -20.112  -4.172  11.142
    7    HA   ALA   2           HA       ALA   2 -21.498  -6.651  10.357
    8    HB1  ALA   2           HB1      ALA   2 -20.697  -6.257   8.097
    9    HB2  ALA   2           HB2      ALA   2 -19.838  -4.815   8.637
   10    HB3  ALA   2           HB3      ALA   2 -21.599  -4.860   8.687
   11    H    MET   3           HN       MET   3 -18.565  -5.338  11.483
   12    HA   MET   3           HA       MET   3 -16.565  -6.210  12.063
   13    HB2  MET   3           HB2      MET   3 -17.998  -8.793  11.482
   14    HB3  MET   3           HB1      MET   3 -16.292  -8.777  11.900
   15    HG2  MET   3           HG2      MET   3 -17.507  -9.224  13.884
   16    HG3  MET   3           HG1      MET   3 -16.902  -7.574  14.005
   17    HE1  MET   3           HE1      MET   3 -20.013  -9.056  12.043
   18    HE2  MET   3           HE2      MET   3 -21.290  -8.754  13.220
   19    HE3  MET   3           HE3      MET   3 -19.999  -9.892  13.596
   20    H    GLY   4           HN       GLY   4 -17.728  -7.893   9.152
   21    HA2  GLY   4           HA2      GLY   4 -16.148  -6.742   7.275
   22    HA3  GLY   4           HA1      GLY   4 -15.088  -7.944   8.001
   23    H    MET   5           HN       MET   5 -14.939  -9.334   6.307
   24    HA   MET   5           HA       MET   5 -15.495 -11.001   4.874
   25    HB2  MET   5           HB2      MET   5 -17.788 -11.358   6.812
   26    HB3  MET   5           HB1      MET   5 -17.301 -12.534   5.598
   27    HG2  MET   5           HG2      MET   5 -15.626 -11.576   7.910
   28    HG3  MET   5           HG1      MET   5 -16.456 -13.128   7.797
   29    HE1  MET   5           HE1      MET   5 -14.113 -14.225   8.448
   30    HE2  MET   5           HE2      MET   5 -13.287 -12.668   8.415
   31    HE3  MET   5           HE3      MET   5 -12.639 -14.030   7.503
   32    H    SER   6           HN       SER   6 -16.402  -8.431   4.140
   33    HA   SER   6           HA       SER   6 -18.960  -8.968   2.828
   34    HB2  SER   6           HB2      SER   6 -18.676  -6.817   4.084
   35    HB3  SER   6           HB1      SER   6 -17.394  -6.372   2.959
   36    HG   SER   6           HG       SER   6 -19.028  -5.518   1.915
   37    HA   PRO   7           HA       PRO   7 -16.049 -10.282  -0.370
   38    HB2  PRO   7           HB2      PRO   7 -17.958 -11.266  -2.082
   39    HB3  PRO   7           HB1      PRO   7 -17.262 -12.173  -0.739
   40    HG2  PRO   7           HG2      PRO   7 -19.858 -10.708  -0.895
   41    HG3  PRO   7           HG1      PRO   7 -19.490 -12.265  -0.127
   42    HD2  PRO   7           HD2      PRO   7 -19.764  -9.987   1.290
   43    HD3  PRO   7           HD1      PRO   7 -18.626 -11.262   1.771
   44    H    ASP   8           HN       ASP   8 -18.987  -8.415  -1.003
   45    HA   ASP   8           HA       ASP   8 -18.133  -7.601  -3.613
   46    HB2  ASP   8           HB2      ASP   8 -20.536  -7.713  -2.863
   47    HB3  ASP   8           HB1      ASP   8 -20.234  -6.272  -1.895
   48    H    THR   9           HN       THR   9 -18.153  -6.083  -0.410
   49    HA   THR   9           HA       THR   9 -17.075  -3.598  -1.155
   50    HB   THR   9           HB       THR   9 -16.677  -5.081   1.453
   51    HG1  THR   9           HG1      THR   9 -18.509  -3.212   1.734
   52   HG21  THR   9          HG21      THR   9 -16.393  -2.837   2.413
   53   HG22  THR   9          HG22      THR   9 -16.510  -2.142   0.796
   54   HG23  THR   9          HG23      THR   9 -15.157  -3.197   1.207
   55    H    ALA  10           HN       ALA  10 -15.574  -6.607  -0.119
   56    HA   ALA  10           HA       ALA  10 -12.907  -5.691  -0.094
   57    HB1  ALA  10           HB1      ALA  10 -13.915  -8.505  -0.492
   58    HB2  ALA  10           HB2      ALA  10 -13.639  -7.725   1.065
   59    HB3  ALA  10           HB3      ALA  10 -12.282  -8.040  -0.017
   60    H    ARG  11           HN       ARG  11 -14.917  -7.133  -2.591
   61    HA   ARG  11           HA       ARG  11 -12.859  -7.496  -4.501
   62    HB2  ARG  11           HB2      ARG  11 -14.943  -8.719  -4.687
   63    HB3  ARG  11           HB1      ARG  11 -15.846  -7.220  -4.859
   64    HG2  ARG  11           HG2      ARG  11 -14.716  -6.784  -6.983
   65    HG3  ARG  11           HG1      ARG  11 -13.810  -8.286  -6.807
   66    HD2  ARG  11           HD2      ARG  11 -15.849  -9.575  -6.900
   67    HD3  ARG  11           HD1      ARG  11 -16.816  -8.101  -6.930
   68    HE   ARG  11           HE       ARG  11 -15.197  -7.844  -9.091
   69   HH11  ARG  11          HH11      ARG  11 -17.383 -10.350  -8.002
   70   HH12  ARG  11          HH12      ARG  11 -17.767 -10.889  -9.607
   71   HH21  ARG  11          HH21      ARG  11 -15.723  -8.536 -11.201
   72   HH22  ARG  11          HH22      ARG  11 -16.838  -9.847 -11.424
   73    H    ARG  12           HN       ARG  12 -15.110  -4.840  -3.855
   74    HA   ARG  12           HA       ARG  12 -14.522  -3.325  -6.146
   75    HB2  ARG  12           HB2      ARG  12 -15.450  -2.417  -3.418
   76    HB3  ARG  12           HB1      ARG  12 -15.388  -1.377  -4.836
   77    HG2  ARG  12           HG2      ARG  12 -16.941  -3.009  -5.959
   78    HG3  ARG  12           HG1      ARG  12 -17.129  -3.785  -4.385
   79    HD2  ARG  12           HD2      ARG  12 -17.831  -1.542  -3.483
   80    HD3  ARG  12           HD1      ARG  12 -17.856  -0.962  -5.145
   81    HE   ARG  12           HE       ARG  12 -19.461  -3.320  -4.480
   82   HH11  ARG  12          HH11      ARG  12 -19.327   0.095  -5.277
   83   HH12  ARG  12          HH12      ARG  12 -21.029   0.214  -5.587
   84   HH21  ARG  12          HH21      ARG  12 -21.691  -3.162  -4.894
   85   HH22  ARG  12          HH22      ARG  12 -22.373  -1.639  -5.384
   86    H    PHE  13           HN       PHE  13 -13.068  -3.347  -2.915
   87    HA   PHE  13           HA       PHE  13 -11.219  -1.266  -3.439
   88    HB2  PHE  13           HB2      PHE  13 -11.834  -2.177  -1.146
   89    HB3  PHE  13           HB1      PHE  13 -10.807  -3.556  -1.503
   90    HD1  PHE  13           HD1      PHE  13 -10.865   0.045  -0.808
   91    HD2  PHE  13           HD2      PHE  13  -8.413  -3.368  -1.478
   92    HE1  PHE  13           HE1      PHE  13  -8.912   1.294   0.009
   93    HE2  PHE  13           HE2      PHE  13  -6.454  -2.126  -0.662
   94    HZ   PHE  13           HZ       PHE  13  -6.702   0.209   0.082
   95    H    ASP  14           HN       ASP  14 -11.075  -4.767  -3.713
   96    HA   ASP  14           HA       ASP  14  -8.406  -5.071  -4.458
   97    HB2  ASP  14           HB2      ASP  14  -9.428  -7.067  -3.915
   98    HB3  ASP  14           HB1      ASP  14 -10.900  -6.678  -4.793
   99    H    THR  15           HN       THR  15 -11.266  -4.519  -6.456
  100    HA   THR  15           HA       THR  15  -9.714  -4.815  -8.877
  101    HB   THR  15           HB       THR  15 -12.629  -4.097  -8.574
  102    HG1  THR  15           HG1      THR  15 -11.473  -6.327  -7.924
  103   HG21  THR  15          HG21      THR  15 -12.820  -4.862 -10.891
  104   HG22  THR  15          HG22      THR  15 -11.082  -5.154 -10.945
  105   HG23  THR  15          HG23      THR  15 -11.693  -3.510 -10.766
  106    H    GLU  16           HN       GLU  16 -11.363  -2.140  -7.184
  107    HA   GLU  16           HA       GLU  16 -10.638  -0.375  -9.399
  108    HB2  GLU  16           HB2      GLU  16 -12.950  -0.310  -8.590
  109    HB3  GLU  16           HB1      GLU  16 -12.386   0.140  -6.988
  110    HG2  GLU  16           HG2      GLU  16 -11.576   2.242  -7.790
  111    HG3  GLU  16           HG1      GLU  16 -11.918   1.789  -9.459
  112    H    PHE  17           HN       PHE  17 -10.053  -0.677  -5.908
  113    HA   PHE  17           HA       PHE  17  -8.642   1.864  -5.898
  114    HB2  PHE  17           HB2      PHE  17  -9.310  -0.060  -3.669
  115    HB3  PHE  17           HB1      PHE  17  -8.412   1.433  -3.437
  116    HD1  PHE  17           HD2      PHE  17 -11.672   0.150  -4.726
  117    HD2  PHE  17           HD1      PHE  17  -9.541   3.410  -2.997
  118    HE1  PHE  17           HE2      PHE  17 -13.784   1.368  -4.432
  119    HE2  PHE  17           HE1      PHE  17 -11.655   4.632  -2.704
  120    HZ   PHE  17           HZ       PHE  17 -13.779   3.614  -3.422
  121    H    ALA  18           HN       ALA  18  -7.870  -1.519  -5.072
  122    HA   ALA  18           HA       ALA  18  -5.287  -1.089  -4.188
  123    HB1  ALA  18           HB1      ALA  18  -6.570  -3.176  -3.890
  124    HB2  ALA  18           HB2      ALA  18  -4.909  -3.435  -4.419
  125    HB3  ALA  18           HB3      ALA  18  -6.233  -3.586  -5.571
  126    HA   PRO  19           HA       PRO  19  -3.595  -1.953  -8.700
  127    HB2  PRO  19           HB2      PRO  19  -5.871  -0.874 -10.281
  128    HB3  PRO  19           HB1      PRO  19  -4.815  -2.256 -10.623
  129    HG2  PRO  19           HG2      PRO  19  -7.307  -2.658  -9.818
  130    HG3  PRO  19           HG1      PRO  19  -5.989  -3.667  -9.193
  131    HD2  PRO  19           HD2      PRO  19  -7.372  -1.343  -7.891
  132    HD3  PRO  19           HD1      PRO  19  -6.924  -2.914  -7.196
  133    H    ARG  20           HN       ARG  20  -5.767   0.689  -7.902
  134    HA   ARG  20           HA       ARG  20  -4.365   2.694  -9.373
  135    HB2  ARG  20           HB2      ARG  20  -6.705   3.016  -8.774
  136    HB3  ARG  20           HB1      ARG  20  -6.312   2.912  -7.064
  137    HG2  ARG  20           HG2      ARG  20  -6.640   5.202  -7.601
  138    HG3  ARG  20           HG1      ARG  20  -4.915   4.959  -7.335
  139    HD2  ARG  20           HD2      ARG  20  -5.192   6.353  -9.255
  140    HD3  ARG  20           HD1      ARG  20  -4.630   4.774  -9.798
  141    HE   ARG  20           HE       ARG  20  -7.371   4.655  -9.950
  142   HH11  ARG  20          HH11      ARG  20  -4.874   6.696 -11.307
  143   HH12  ARG  20          HH12      ARG  20  -5.756   7.025 -12.764
  144   HH21  ARG  20          HH21      ARG  20  -8.549   5.103 -11.847
  145   HH22  ARG  20          HH22      ARG  20  -7.857   6.123 -13.069
  146    H    ILE  21           HN       ILE  21  -4.309   1.503  -6.066
  147    HA   ILE  21           HA       ILE  21  -2.546   3.452  -5.020
  148    HB   ILE  21           HB       ILE  21  -2.924   0.605  -4.070
  149   HG12  ILE  21          HG12      ILE  21  -4.354   3.118  -3.169
  150   HG13  ILE  21          HG11      ILE  21  -5.054   1.897  -4.227
  151   HG21  ILE  21          HG21      ILE  21  -2.133   1.412  -1.926
  152   HG22  ILE  21          HG22      ILE  21  -1.974   3.044  -2.569
  153   HG23  ILE  21          HG23      ILE  21  -0.934   1.755  -3.172
  154   HD11  ILE  21          HD11      ILE  21  -5.864   1.570  -1.995
  155   HD12  ILE  21          HD12      ILE  21  -4.220   1.535  -1.356
  156   HD13  ILE  21          HD13      ILE  21  -4.786   0.237  -2.408
  157    H    ALA  22           HN       ALA  22  -2.035   0.189  -6.303
  158    HA   ALA  22           HA       ALA  22   0.742   0.084  -5.863
  159    HB1  ALA  22           HB1      ALA  22  -0.912  -1.373  -7.919
  160    HB2  ALA  22           HB2      ALA  22  -0.606  -1.907  -6.266
  161    HB3  ALA  22           HB3      ALA  22   0.723  -1.802  -7.422
  162    H    ARG  23           HN       ARG  23  -1.174   1.276  -8.546
  163    HA   ARG  23           HA       ARG  23   0.976   1.620 -10.365
  164    HB2  ARG  23           HB2      ARG  23  -1.318   1.462 -11.148
  165    HB3  ARG  23           HB1      ARG  23  -1.760   2.899 -10.238
  166    HG2  ARG  23           HG2      ARG  23  -0.343   4.260 -11.661
  167    HG3  ARG  23           HG1      ARG  23   0.164   2.825 -12.554
  168    HD2  ARG  23           HD2      ARG  23  -2.096   2.453 -13.315
  169    HD3  ARG  23           HD1      ARG  23  -2.684   3.789 -12.325
  170    HE   ARG  23           HE       ARG  23  -0.944   5.062 -13.860
  171   HH11  ARG  23          HH11      ARG  23  -3.306   2.631 -14.736
  172   HH12  ARG  23          HH12      ARG  23  -3.576   3.284 -16.320
  173   HH21  ARG  23          HH21      ARG  23  -1.301   5.927 -15.944
  174   HH22  ARG  23          HH22      ARG  23  -2.434   5.156 -17.008
  175    H    ALA  24           HN       ALA  24  -0.681   3.802  -8.117
  176    HA   ALA  24           HA       ALA  24   0.711   6.139  -8.852
  177    HB1  ALA  24           HB1      ALA  24  -1.404   6.193  -7.629
  178    HB2  ALA  24           HB2      ALA  24  -0.146   7.084  -6.772
  179    HB3  ALA  24           HB3      ALA  24  -0.614   5.474  -6.225
  180    H    ILE  25           HN       ILE  25   1.230   3.810  -6.228
  181    HA   ILE  25           HA       ILE  25   3.443   5.076  -5.069
  182    HB   ILE  25           HB       ILE  25   2.706   2.145  -5.100
  183   HG12  ILE  25          HG12      ILE  25   2.276   4.313  -3.027
  184   HG13  ILE  25          HG11      ILE  25   1.032   3.602  -4.051
  185   HG21  ILE  25          HG21      ILE  25   4.725   3.595  -3.389
  186   HG22  ILE  25          HG22      ILE  25   5.066   2.370  -4.612
  187   HG23  ILE  25          HG23      ILE  25   4.189   1.933  -3.145
  188   HD11  ILE  25          HD11      ILE  25   0.973   2.692  -1.794
  189   HD12  ILE  25          HD12      ILE  25   2.638   2.135  -1.971
  190   HD13  ILE  25          HD13      ILE  25   1.365   1.446  -2.979
  191    H    ALA  26           HN       ALA  26   3.248   2.578  -7.577
  192    HA   ALA  26           HA       ALA  26   5.989   2.135  -7.912
  193    HB1  ALA  26           HB1      ALA  26   4.303   0.674  -8.888
  194    HB2  ALA  26           HB2      ALA  26   5.405   1.266 -10.132
  195    HB3  ALA  26           HB3      ALA  26   3.793   1.967  -9.974
  196    H    ASP  27           HN       ASP  27   3.843   4.567  -9.232
  197    HA   ASP  27           HA       ASP  27   5.693   5.675 -11.078
  198    HB2  ASP  27           HB2      ASP  27   3.294   5.997 -11.343
  199    HB3  ASP  27           HB1      ASP  27   3.215   6.856  -9.811
  200    H    LEU  28           HN       LEU  28   4.874   6.349  -7.729
  201    HA   LEU  28           HA       LEU  28   6.395   8.746  -7.522
  202    HB2  LEU  28           HB2      LEU  28   5.528   6.843  -5.344
  203    HB3  LEU  28           HB1      LEU  28   6.122   8.471  -5.101
  204    HG   LEU  28           HG       LEU  28   3.572   7.763  -6.554
  205   HD11  LEU  28          HD11      LEU  28   2.449   8.686  -4.590
  206   HD12  LEU  28          HD12      LEU  28   4.009   8.887  -3.794
  207   HD13  LEU  28          HD13      LEU  28   3.419   7.271  -4.179
  208   HD21  LEU  28          HD21      LEU  28   4.695  10.435  -5.705
  209   HD22  LEU  28          HD22      LEU  28   3.119  10.165  -6.446
  210   HD23  LEU  28          HD23      LEU  28   4.589   9.836  -7.361
  211    H    LEU  29           HN       LEU  29   7.074   5.347  -7.123
  212    HA   LEU  29           HA       LEU  29   9.737   5.852  -6.076
  213    HB2  LEU  29           HB2      LEU  29   8.388   3.262  -6.859
  214    HB3  LEU  29           HB1      LEU  29   9.930   3.399  -6.035
  215    HG   LEU  29           HG       LEU  29   7.282   4.303  -4.908
  216   HD11  LEU  29          HD11      LEU  29   7.424   1.869  -5.130
  217   HD12  LEU  29          HD12      LEU  29   7.451   2.375  -3.442
  218   HD13  LEU  29          HD13      LEU  29   8.945   1.882  -4.237
  219   HD21  LEU  29          HD21      LEU  29  10.050   4.183  -3.723
  220   HD22  LEU  29          HD22      LEU  29   8.579   4.418  -2.783
  221   HD23  LEU  29          HD23      LEU  29   9.057   5.618  -3.982
  222    H    ASN  30           HN       ASN  30   8.469   6.213  -8.986
  223    HA   ASN  30           HA       ASN  30   9.224   6.272 -11.125
  224    HB2  ASN  30           HB2      ASN  30  11.981   6.082  -9.887
  225    HB3  ASN  30           HB1      ASN  30  11.587   6.704 -11.483
  226   HD21  ASN  30          HD21      ASN  30  11.703   7.377  -8.102
  227   HD22  ASN  30          HD22      ASN  30  11.282   9.049  -8.210
  228    H    HIS  31           HN       HIS  31   8.648   3.694  -9.926
  229    HA   HIS  31           HA       HIS  31   8.827   1.464 -10.288
  230    HB2  HIS  31           HB2      HIS  31   9.747   2.552 -12.935
  231    HB3  HIS  31           HB1      HIS  31   9.673   0.819 -12.640
  232    HD1  HIS  31           HD1      HIS  31   7.409  -0.286 -12.740
  233    HD2  HIS  31           HD2      HIS  31   7.196   3.858 -12.925
  234    HE1  HIS  31           HE1      HIS  31   5.018   0.245 -13.300
  235    HE2  HIS  31           HE2      HIS  31   4.915   2.757 -13.439
  236    H    ARG  32           HN       ARG  32  11.077   2.739  -8.948
  237    HA   ARG  32           HA       ARG  32  13.332   1.104  -9.790
  238    HB2  ARG  32           HB2      ARG  32  13.034   2.996  -7.449
  239    HB3  ARG  32           HB1      ARG  32  14.526   2.189  -7.909
  240    HG2  ARG  32           HG2      ARG  32  13.018   4.153  -9.623
  241    HG3  ARG  32           HG1      ARG  32  14.434   4.533  -8.646
  242    HD2  ARG  32           HD2      ARG  32  15.149   4.229 -10.901
  243    HD3  ARG  32           HD1      ARG  32  15.707   2.847  -9.962
  244    HE   ARG  32           HE       ARG  32  13.189   2.473 -11.346
  245   HH11  ARG  32          HH11      ARG  32  16.668   2.148 -11.500
  246   HH12  ARG  32          HH12      ARG  32  16.626   0.889 -12.691
  247   HH21  ARG  32          HH21      ARG  32  13.125   0.787 -12.901
  248   HH22  ARG  32          HH22      ARG  32  14.617   0.106 -13.476
  249    H    ALA  33           HN       ALA  33  10.672   0.962  -7.728
  250    HA   ALA  33           HA       ALA  33  11.625  -1.598  -6.650
  251    HB1  ALA  33           HB1      ALA  33  11.527   0.056  -4.841
  252    HB2  ALA  33           HB2      ALA  33  10.300  -1.192  -4.630
  253    HB3  ALA  33           HB3      ALA  33   9.845   0.397  -5.244
  254    H    HIS  34           HN       HIS  34   9.946  -3.195  -6.442
  255    HA   HIS  34           HA       HIS  34   7.952  -2.837  -8.553
  256    HB2  HIS  34           HB2      HIS  34   9.494  -4.770  -8.695
  257    HB3  HIS  34           HB1      HIS  34   8.903  -5.351  -7.145
  258    HD1  HIS  34           HD1      HIS  34   7.896  -5.010 -10.747
  259    HD2  HIS  34           HD2      HIS  34   6.486  -6.734  -7.232
  260    HE1  HIS  34           HE1      HIS  34   6.001  -6.509 -11.440
  261    HE2  HIS  34           HE2      HIS  34   5.085  -7.444  -9.289
  262    H    THR  35           HN       THR  35   5.812  -2.790  -8.162
  263    HA   THR  35           HA       THR  35   4.941  -3.323  -5.404
  264    HB   THR  35           HB       THR  35   2.964  -1.898  -5.959
  265    HG1  THR  35           HG1      THR  35   3.094  -0.606  -7.846
  266   HG21  THR  35          HG21      THR  35   5.640  -0.546  -6.316
  267   HG22  THR  35          HG22      THR  35   4.928  -1.001  -4.769
  268   HG23  THR  35          HG23      THR  35   4.148   0.224  -5.773
  269    H    ASP  36           HN       ASP  36   3.065  -4.565  -5.075
  270    HA   ASP  36           HA       ASP  36   2.060  -6.038  -7.394
  271    HB2  ASP  36           HB2      ASP  36   3.977  -7.337  -6.537
  272    HB3  ASP  36           HB1      ASP  36   3.245  -7.357  -4.937
  273    H    VAL  37           HN       VAL  37  -0.046  -6.515  -7.248
  274    HA   VAL  37           HA       VAL  37  -1.450  -5.497  -4.912
  275    HB   VAL  37           HB       VAL  37  -2.539  -6.436  -7.570
  276   HG11  VAL  37          HG11      VAL  37  -4.201  -6.662  -5.822
  277   HG12  VAL  37          HG12      VAL  37  -4.612  -5.302  -6.870
  278   HG13  VAL  37          HG13      VAL  37  -3.896  -5.010  -5.286
  279   HG21  VAL  37          HG21      VAL  37  -2.859  -4.063  -8.057
  280   HG22  VAL  37          HG22      VAL  37  -1.157  -4.434  -7.787
  281   HG23  VAL  37          HG23      VAL  37  -2.096  -3.639  -6.524
  282    H    VAL  38           HN       VAL  38  -1.640  -6.905  -3.315
  283    HA   VAL  38           HA       VAL  38  -2.214  -9.707  -3.786
  284    HB   VAL  38           HB       VAL  38  -2.161  -8.163  -1.181
  285   HG11  VAL  38          HG11      VAL  38  -2.174 -11.121  -1.729
  286   HG12  VAL  38          HG12      VAL  38  -3.460 -10.181  -0.973
  287   HG13  VAL  38          HG13      VAL  38  -1.915 -10.384  -0.149
  288   HG21  VAL  38          HG21      VAL  38  -0.036  -9.869  -2.467
  289   HG22  VAL  38          HG22      VAL  38   0.050  -9.154  -0.857
  290   HG23  VAL  38          HG23      VAL  38   0.005  -8.115  -2.280
  291    H    GLY  39           HN       GLY  39  -4.195  -9.918  -4.696
  292    HA2  GLY  39           HA2      GLY  39  -6.349  -8.159  -3.867
  293    HA3  GLY  39           HA1      GLY  39  -6.375  -9.275  -5.222
  294    H    TYR  40           HN       TYR  40  -8.566  -9.118  -3.790
  295    HA   TYR  40           HA       TYR  40  -8.600 -11.088  -1.657
  296    HB2  TYR  40           HB2      TYR  40  -9.960  -9.027  -1.478
  297    HB3  TYR  40           HB1      TYR  40 -10.854  -9.499  -2.923
  298    HD1  TYR  40           HD1      TYR  40 -10.102 -10.575   0.572
  299    HD2  TYR  40           HD2      TYR  40 -12.758 -10.848  -2.748
  300    HE1  TYR  40           HE1      TYR  40 -11.715 -11.800   1.969
  301    HE2  TYR  40           HE2      TYR  40 -14.374 -12.071  -1.358
  302    HH   TYR  40           HH       TYR  40 -14.025 -12.337   2.073
  303    H    GLY  41           HN       GLY  41  -9.571 -13.089  -1.763
  304    HA2  GLY  41           HA2      GLY  41 -10.645 -13.921  -4.377
  305    HA3  GLY  41           HA1      GLY  41  -9.424 -14.898  -3.562
  306    H    GLY  42           HN       GLY  42 -11.264 -16.494  -3.868
  307    HA2  GLY  42           HA2      GLY  42 -13.586 -16.241  -2.216
  308    HA3  GLY  42           HA1      GLY  42 -13.043 -17.701  -3.035
  309    H    HIS  43           HN       HIS  43 -10.366 -17.112  -1.593
  310    HA   HIS  43           HA       HIS  43 -11.034 -18.653   0.794
  311    HB2  HIS  43           HB2      HIS  43  -8.391 -17.949  -0.506
  312    HB3  HIS  43           HB1      HIS  43  -8.509 -18.779   1.043
  313    HD1  HIS  43           HD1      HIS  43  -9.496 -21.211   1.010
  314    HD2  HIS  43           HD2      HIS  43  -8.803 -19.548  -2.739
  315    HE1  HIS  43           HE1      HIS  43  -9.583 -23.132  -0.612
  316    HE2  HIS  43           HE2      HIS  43  -9.323 -22.073  -2.883
  317    H    GLY  44           HN       GLY  44  -9.532 -18.036   2.746
  318    HA2  GLY  44           HA2      GLY  44 -10.268 -15.378   3.551
  319    HA3  GLY  44           HA1      GLY  44  -9.368 -16.546   4.502
  320    H    HIS  45           HN       HIS  45  -8.883 -14.704   1.492
  321    HA   HIS  45           HA       HIS  45  -6.048 -14.454   2.192
  322    HB2  HIS  45           HB2      HIS  45  -6.967 -15.314  -0.097
  323    HB3  HIS  45           HB1      HIS  45  -7.247 -13.610  -0.435
  324    HD1  HIS  45           HD1      HIS  45  -4.638 -16.189  -0.361
  325    HD2  HIS  45           HD2      HIS  45  -4.821 -12.038  -0.561
  326    HE1  HIS  45           HE1      HIS  45  -2.347 -15.447  -1.083
  327    HE2  HIS  45           HE2      HIS  45  -2.443 -12.933  -1.087
  328    HA   PRO  46           HA       PRO  46  -6.990 -10.293   3.493
  329    HB2  PRO  46           HB2      PRO  46  -4.416  -9.540   3.988
  330    HB3  PRO  46           HB1      PRO  46  -5.352 -10.567   5.088
  331    HG2  PRO  46           HG2      PRO  46  -3.318 -11.354   3.029
  332    HG3  PRO  46           HG1      PRO  46  -3.512 -11.942   4.690
  333    HD2  PRO  46           HD2      PRO  46  -4.408 -13.338   2.570
  334    HD3  PRO  46           HD1      PRO  46  -5.261 -13.344   4.127
  335    H    THR  47           HN       THR  47  -7.101  -8.357   2.466
  336    HA   THR  47           HA       THR  47  -5.831  -8.179  -0.158
  337    HB   THR  47           HB       THR  47  -7.898  -6.305   1.011
  338    HG1  THR  47           HG1      THR  47  -8.216  -8.853   0.451
  339   HG21  THR  47          HG21      THR  47  -8.381  -5.818  -1.349
  340   HG22  THR  47          HG22      THR  47  -7.111  -6.936  -1.844
  341   HG23  THR  47          HG23      THR  47  -6.697  -5.465  -0.963
  342    H    GLN  48           HN       GLN  48  -4.090  -6.953  -0.480
  343    HA   GLN  48           HA       GLN  48  -3.568  -4.529   0.951
  344    HB2  GLN  48           HB2      GLN  48  -1.520  -5.274   2.081
  345    HB3  GLN  48           HB1      GLN  48  -2.921  -6.144   2.685
  346    HG2  GLN  48           HG2      GLN  48  -2.318  -8.047   1.223
  347    HG3  GLN  48           HG1      GLN  48  -0.862  -7.173   0.748
  348   HE21  GLN  48          HE21      GLN  48   0.512  -8.748   1.595
  349   HE22  GLN  48          HE22      GLN  48   0.714  -8.977   3.298
  350    H    VAL  49           HN       VAL  49  -1.502  -3.544   0.227
  351    HA   VAL  49           HA       VAL  49  -0.596  -4.724  -2.311
  352    HB   VAL  49           HB       VAL  49  -1.720  -2.592  -2.703
  353   HG11  VAL  49          HG11      VAL  49  -0.779  -0.487  -1.875
  354   HG12  VAL  49          HG12      VAL  49   0.376  -1.395  -0.898
  355   HG13  VAL  49          HG13      VAL  49  -1.351  -1.515  -0.559
  356   HG21  VAL  49          HG21      VAL  49   1.265  -2.397  -3.085
  357   HG22  VAL  49          HG22      VAL  49   0.045  -1.482  -3.970
  358   HG23  VAL  49          HG23      VAL  49   0.137  -3.234  -4.150
  359    H    ARG  50           HN       ARG  50   1.358  -5.490  -2.287
  360    HA   ARG  50           HA       ARG  50   3.163  -4.668  -0.138
  361    HB2  ARG  50           HB2      ARG  50   4.419  -6.739  -0.671
  362    HB3  ARG  50           HB1      ARG  50   2.751  -7.040  -0.208
  363    HG2  ARG  50           HG2      ARG  50   2.136  -7.367  -2.530
  364    HG3  ARG  50           HG1      ARG  50   3.786  -6.992  -3.032
  365    HD2  ARG  50           HD2      ARG  50   4.628  -8.932  -1.885
  366    HD3  ARG  50           HD1      ARG  50   3.033  -9.275  -1.214
  367    HE   ARG  50           HE       ARG  50   2.621  -9.297  -3.908
  368   HH11  ARG  50          HH11      ARG  50   4.860 -10.973  -1.783
  369   HH12  ARG  50          HH12      ARG  50   4.934 -12.391  -2.783
  370   HH21  ARG  50          HH21      ARG  50   2.728 -11.137  -5.213
  371   HH22  ARG  50          HH22      ARG  50   3.734 -12.476  -4.752
  372    H    ILE  51           HN       ILE  51   5.093  -3.771  -0.465
  373    HA   ILE  51           HA       ILE  51   5.926  -3.283  -3.241
  374    HB   ILE  51           HB       ILE  51   6.896  -1.803  -0.787
  375   HG12  ILE  51          HG12      ILE  51   4.737  -0.976  -2.743
  376   HG13  ILE  51          HG11      ILE  51   4.467  -1.457  -1.072
  377   HG21  ILE  51          HG21      ILE  51   8.374  -1.748  -2.741
  378   HG22  ILE  51          HG22      ILE  51   7.686  -0.160  -2.408
  379   HG23  ILE  51          HG23      ILE  51   7.046  -1.136  -3.727
  380   HD11  ILE  51          HD11      ILE  51   4.389   0.923  -1.212
  381   HD12  ILE  51          HD12      ILE  51   5.939   0.974  -2.050
  382   HD13  ILE  51          HD13      ILE  51   5.867   0.468  -0.365
  383    H    VAL  52           HN       VAL  52   7.487  -4.584  -3.882
  384    HA   VAL  52           HA       VAL  52   9.357  -5.658  -1.883
  385    HB   VAL  52           HB       VAL  52   8.564  -6.882  -4.538
  386   HG11  VAL  52          HG11      VAL  52  10.851  -7.443  -3.874
  387   HG12  VAL  52          HG12      VAL  52   9.792  -8.850  -3.788
  388   HG13  VAL  52          HG13      VAL  52  10.261  -8.010  -2.312
  389   HG21  VAL  52          HG21      VAL  52   6.725  -6.969  -2.941
  390   HG22  VAL  52          HG22      VAL  52   7.791  -7.690  -1.735
  391   HG23  VAL  52          HG23      VAL  52   7.399  -8.578  -3.208
  392    H    ALA  53           HN       ALA  53  11.458  -5.277  -2.146
  393    HA   ALA  53           HA       ALA  53  12.356  -4.104  -4.687
  394    HB1  ALA  53           HB1      ALA  53  13.691  -2.477  -3.532
  395    HB2  ALA  53           HB2      ALA  53  13.245  -3.154  -1.968
  396    HB3  ALA  53           HB3      ALA  53  12.028  -2.345  -2.956
  397    HA   PRO  54           HA       PRO  54  15.194  -7.576  -3.742
  398    HB2  PRO  54           HB2      PRO  54  15.396  -7.819  -6.641
  399    HB3  PRO  54           HB1      PRO  54  14.782  -8.995  -5.472
  400    HG2  PRO  54           HG2      PRO  54  13.199  -7.709  -7.279
  401    HG3  PRO  54           HG1      PRO  54  12.615  -8.289  -5.709
  402    HD2  PRO  54           HD2      PRO  54  13.384  -5.515  -6.541
  403    HD3  PRO  54           HD1      PRO  54  12.045  -6.052  -5.502
  404    H    HIS  55           HN       HIS  55  16.175  -5.209  -3.297
  405    HA   HIS  55           HA       HIS  55  18.449  -4.905  -5.141
  406    HB2  HIS  55           HB2      HIS  55  16.800  -3.049  -5.364
  407    HB3  HIS  55           HB1      HIS  55  17.027  -2.680  -3.661
  408    HD1  HIS  55           HD1      HIS  55  18.894  -1.116  -3.076
  409    HD2  HIS  55           HD2      HIS  55  19.169  -2.539  -6.976
  410    HE1  HIS  55           HE1      HIS  55  20.735   0.210  -4.160
  411    HE2  HIS  55           HE2      HIS  55  20.851  -0.628  -6.532
  412    H    ALA  56           HN       ALA  56  19.092  -6.574  -3.394
  413    HA   ALA  56           HA       ALA  56  19.790  -5.492  -0.820
  414    HB1  ALA  56           HB1      ALA  56  19.141  -7.844  -1.085
  415    HB2  ALA  56           HB2      ALA  56  20.739  -7.672  -0.361
  416    HB3  ALA  56           HB3      ALA  56  20.585  -8.120  -2.059
  417    H    GLU  57           HN       GLU  57  21.154  -5.345  -3.861
  418    HA   GLU  57           HA       GLU  57  23.923  -5.424  -3.124
  419    HB2  GLU  57           HB2      GLU  57  22.499  -4.452  -5.603
  420    HB3  GLU  57           HB1      GLU  57  24.245  -4.396  -5.419
  421    HG2  GLU  57           HG2      GLU  57  22.539  -6.875  -5.371
  422    HG3  GLU  57           HG1      GLU  57  23.556  -6.332  -6.704
  423    H    HIS  58           HN       HIS  58  23.607  -3.928  -1.272
  424    HA   HIS  58           HA       HIS  58  24.323  -1.234  -2.150
  425    HB2  HIS  58           HB2      HIS  58  21.899  -1.158  -1.632
  426    HB3  HIS  58           HB1      HIS  58  22.242  -1.744  -0.008
  427    HD1  HIS  58           HD1      HIS  58  22.494   1.299  -2.166
  428    HD2  HIS  58           HD2      HIS  58  23.286   0.175   1.753
  429    HE1  HIS  58           HE1      HIS  58  22.875   3.441  -0.914
  430    HE2  HIS  58           HE2      HIS  58  23.163   2.743   1.486
  431    H    VAL  59           HN       VAL  59  26.397  -1.337  -1.467
  432    HA   VAL  59           HA       VAL  59  27.216  -2.649   0.909
  433    HB   VAL  59           HB       VAL  59  29.412  -1.557   0.539
  434   HG11  VAL  59          HG11      VAL  59  28.854  -3.673  -0.549
  435   HG12  VAL  59          HG12      VAL  59  29.910  -2.689  -1.564
  436   HG13  VAL  59          HG13      VAL  59  28.188  -2.794  -1.924
  437   HG21  VAL  59          HG21      VAL  59  28.063  -0.268  -1.833
  438   HG22  VAL  59          HG22      VAL  59  29.781  -0.197  -1.445
  439   HG23  VAL  59          HG23      VAL  59  28.605   0.570  -0.379
  440    H    ARG  60           HN       ARG  60  28.090  -1.753   2.805
  441    HA   ARG  60           HA       ARG  60  28.091  -0.440   4.654
  442    HB2  ARG  60           HB2      ARG  60  27.870   1.788   2.624
  443    HB3  ARG  60           HB1      ARG  60  28.179   2.039   4.333
  444    HG2  ARG  60           HG2      ARG  60  29.954   0.610   2.366
  445    HG3  ARG  60           HG1      ARG  60  30.231   2.186   3.107
  446    HD2  ARG  60           HD2      ARG  60  30.129  -0.468   4.540
  447    HD3  ARG  60           HD1      ARG  60  31.575   0.482   4.203
  448    HE   ARG  60           HE       ARG  60  30.100   2.215   5.615
  449   HH11  ARG  60          HH11      ARG  60  30.953  -1.125   6.187
  450   HH12  ARG  60          HH12      ARG  60  30.880  -0.986   7.913
  451   HH21  ARG  60          HH21      ARG  60  29.995   2.407   7.894
  452   HH22  ARG  60          HH22      ARG  60  30.348   1.028   8.885
  453    H    GLY  61           HN       GLY  61  25.672  -1.594   3.896
  454    HA2  GLY  61           HA2      GLY  61  23.841   0.220   5.274
  455    HA3  GLY  61           HA1      GLY  61  23.349  -0.366   3.688
  456    H    TYR  62           HN       TYR  62  21.528  -1.377   4.740
  457    HA   TYR  62           HA       TYR  62  22.240  -3.707   6.379
  458    HB2  TYR  62           HB2      TYR  62  19.604  -2.252   6.039
  459    HB3  TYR  62           HB1      TYR  62  19.783  -3.758   6.940
  460    HD1  TYR  62           HD1      TYR  62  20.854  -0.201   6.843
  461    HD2  TYR  62           HD2      TYR  62  20.568  -3.752   9.177
  462    HE1  TYR  62           HE1      TYR  62  21.448   1.077   8.856
  463    HE2  TYR  62           HE2      TYR  62  21.164  -2.478  11.192
  464    HH   TYR  62           HH       TYR  62  21.146   0.896  11.306
  465    H    ALA  63           HN       ALA  63  22.051  -5.687   5.593
  466    HA   ALA  63           HA       ALA  63  21.260  -6.019   2.835
  467    HB1  ALA  63           HB1      ALA  63  23.283  -7.099   3.672
  468    HB2  ALA  63           HB2      ALA  63  22.122  -8.287   3.081
  469    HB3  ALA  63           HB3      ALA  63  22.318  -8.031   4.815
  470    H    HIS  64           HN       HIS  64  19.008  -5.314   3.818
  471    HA   HIS  64           HA       HIS  64  17.479  -7.814   4.131
  472    HB2  HIS  64           HB2      HIS  64  16.964  -5.151   5.480
  473    HB3  HIS  64           HB1      HIS  64  15.775  -6.449   5.402
  474    HD1  HIS  64           HD1      HIS  64  15.953  -8.279   7.104
  475    HD2  HIS  64           HD2      HIS  64  19.266  -5.777   7.088
  476    HE1  HIS  64           HE1      HIS  64  17.282  -8.908   9.142
  477    HE2  HIS  64           HE2      HIS  64  19.383  -7.530   8.982
  478    HA   PRO  65           HA       PRO  65  15.729  -6.186   0.338
  479    HB2  PRO  65           HB2      PRO  65  13.990  -8.249  -0.055
  480    HB3  PRO  65           HB1      PRO  65  15.703  -8.329  -0.483
  481    HG2  PRO  65           HG2      PRO  65  14.296  -9.413   1.922
  482    HG3  PRO  65           HG1      PRO  65  15.582 -10.148   0.948
  483    HD2  PRO  65           HD2      PRO  65  16.052  -8.955   3.336
  484    HD3  PRO  65           HD1      PRO  65  17.243  -8.968   2.019
  485    H    LEU  66           HN       LEU  66  14.227  -4.667   0.310
  486    HA   LEU  66           HA       LEU  66  12.521  -4.185   2.489
  487    HB2  LEU  66           HB2      LEU  66  13.500  -2.539   0.807
  488    HB3  LEU  66           HB1      LEU  66  12.216  -3.032  -0.275
  489    HG   LEU  66           HG       LEU  66  11.633  -1.891   2.451
  490   HD11  LEU  66          HD11      LEU  66  11.989  -0.415  -0.155
  491   HD12  LEU  66          HD12      LEU  66  13.005  -0.271   1.281
  492   HD13  LEU  66          HD13      LEU  66  11.329   0.276   1.329
  493   HD21  LEU  66          HD21      LEU  66   9.792  -3.047   1.330
  494   HD22  LEU  66          HD22      LEU  66  10.026  -2.043  -0.101
  495   HD23  LEU  66          HD23      LEU  66   9.494  -1.309   1.413
  496    H    ASN  67           HN       ASN  67  10.659  -5.096   2.988
  497    HA   ASN  67           HA       ASN  67   8.804  -5.813   0.832
  498    HB2  ASN  67           HB2      ASN  67   9.970  -7.892   1.642
  499    HB3  ASN  67           HB1      ASN  67   9.290  -7.590   3.240
  500   HD21  ASN  67          HD21      ASN  67   7.036  -7.794   3.534
  501   HD22  ASN  67          HD22      ASN  67   6.059  -8.691   2.421
  502    H    LEU  68           HN       LEU  68   7.366  -4.246   1.185
  503    HA   LEU  68           HA       LEU  68   6.410  -3.800   3.931
  504    HB2  LEU  68           HB2      LEU  68   7.283  -1.793   2.953
  505    HB3  LEU  68           HB1      LEU  68   6.388  -2.055   1.469
  506    HG   LEU  68           HG       LEU  68   4.276  -1.670   2.732
  507   HD11  LEU  68          HD11      LEU  68   5.018  -2.232   4.964
  508   HD12  LEU  68          HD12      LEU  68   4.419  -0.575   4.920
  509   HD13  LEU  68          HD13      LEU  68   6.154  -0.885   4.948
  510   HD21  LEU  68          HD21      LEU  68   4.584   0.765   2.928
  511   HD22  LEU  68          HD22      LEU  68   5.257   0.109   1.440
  512   HD23  LEU  68          HD23      LEU  68   6.325   0.536   2.775
  513    H    ALA  69           HN       ALA  69   4.441  -4.423   4.461
  514    HA   ALA  69           HA       ALA  69   2.487  -4.914   2.304
  515    HB1  ALA  69           HB1      ALA  69   3.082  -6.912   3.611
  516    HB2  ALA  69           HB2      ALA  69   1.381  -6.479   3.796
  517    HB3  ALA  69           HB3      ALA  69   2.532  -6.101   5.078
  518    H    LEU  70           HN       LEU  70   1.133  -3.289   2.108
  519    HA   LEU  70           HA       LEU  70   0.440  -1.652   4.427
  520    HB2  LEU  70           HB2      LEU  70  -0.065  -1.288   1.472
  521    HB3  LEU  70           HB1      LEU  70  -0.597  -0.160   2.703
  522    HG   LEU  70           HG       LEU  70   2.304  -0.852   2.209
  523   HD11  LEU  70          HD11      LEU  70   2.452   1.294   1.068
  524   HD12  LEU  70          HD12      LEU  70   0.707   1.504   1.230
  525   HD13  LEU  70          HD13      LEU  70   1.351   0.198   0.235
  526   HD21  LEU  70          HD21      LEU  70   2.684   1.237   3.472
  527   HD22  LEU  70          HD22      LEU  70   1.893  -0.008   4.436
  528   HD23  LEU  70          HD23      LEU  70   0.952   1.334   3.784
  529    H    THR  71           HN       THR  71  -1.345  -2.128   5.541
  530    HA   THR  71           HA       THR  71  -3.680  -3.114   4.042
  531    HB   THR  71           HB       THR  71  -4.415  -4.131   6.265
  532    HG1  THR  71           HG1      THR  71  -1.936  -3.130   6.951
  533   HG21  THR  71          HG21      THR  71  -1.973  -5.233   4.876
  534   HG22  THR  71          HG22      THR  71  -3.661  -5.560   4.476
  535   HG23  THR  71          HG23      THR  71  -2.986  -6.143   5.997
  536    H    TRP  72           HN       TRP  72  -5.743  -2.317   4.765
  537    HA   TRP  72           HA       TRP  72  -5.529   0.198   6.277
  538    HB2  TRP  72           HB2      TRP  72  -6.854  -0.280   3.615
  539    HB3  TRP  72           HB1      TRP  72  -7.294   1.087   4.642
  540    HD1  TRP  72           HD1      TRP  72  -5.422   3.004   4.990
  541    HE1  TRP  72           HE1      TRP  72  -3.407   3.689   3.538
  542    HE3  TRP  72           HE3      TRP  72  -5.070  -1.175   2.069
  543    HZ2  TRP  72           HZ2      TRP  72  -1.888   2.607   1.428
  544    HZ3  TRP  72           HZ3      TRP  72  -3.308  -1.266   0.352
  545    HH2  TRP  72           HH2      TRP  72  -1.752   0.591   0.047
  546    H    ASN  73           HN       ASN  73  -7.439   0.973   7.224
  547    HA   ASN  73           HA       ASN  73  -8.905  -0.898   8.663
  548    HB2  ASN  73           HB2      ASN  73  -9.573   1.983   8.029
  549    HB3  ASN  73           HB1      ASN  73 -10.367   1.024   9.272
  550   HD21  ASN  73          HD21      ASN  73  -8.715   3.501   9.369
  551   HD22  ASN  73          HD22      ASN  73  -7.477   3.150  10.531
  552    H    THR  74           HN       THR  74 -10.387  -2.269   7.997
  553    HA   THR  74           HA       THR  74 -11.572  -2.331   5.479
  554    HB   THR  74           HB       THR  74 -12.725  -3.580   7.978
  555    HG1  THR  74           HG1      THR  74 -11.249  -5.233   7.674
  556   HG21  THR  74          HG21      THR  74 -13.482  -5.336   6.467
  557   HG22  THR  74          HG22      THR  74 -12.744  -4.505   5.099
  558   HG23  THR  74          HG23      THR  74 -14.108  -3.773   5.943
  559    H    ASP  75           HN       ASP  75 -12.640  -0.813   8.442
  560    HA   ASP  75           HA       ASP  75 -15.316  -0.288   7.782
  561    HB2  ASP  75           HB2      ASP  75 -13.403   1.382   9.436
  562    HB3  ASP  75           HB1      ASP  75 -15.152   1.570   9.412
  563    H    GLU  76           HN       GLU  76 -12.436   1.732   7.414
  564    HA   GLU  76           HA       GLU  76 -13.667   3.778   5.971
  565    HB2  GLU  76           HB2      GLU  76 -10.780   2.909   6.034
  566    HB3  GLU  76           HB1      GLU  76 -11.345   4.379   5.247
  567    HG2  GLU  76           HG2      GLU  76 -12.277   5.127   7.413
  568    HG3  GLU  76           HG1      GLU  76 -11.571   3.701   8.169
  569    H    ILE  77           HN       ILE  77 -12.212   0.747   4.819
  570    HA   ILE  77           HA       ILE  77 -12.311   1.238   2.089
  571    HB   ILE  77           HB       ILE  77 -12.939  -1.354   3.520
  572   HG12  ILE  77          HG12      ILE  77 -10.353  -0.267   2.368
  573   HG13  ILE  77          HG11      ILE  77 -10.716  -0.541   4.071
  574   HG21  ILE  77          HG21      ILE  77 -12.349  -2.449   1.394
  575   HG22  ILE  77          HG22      ILE  77 -12.223  -0.864   0.630
  576   HG23  ILE  77          HG23      ILE  77 -13.776  -1.425   1.245
  577   HD11  ILE  77          HD11      ILE  77 -10.470  -2.665   1.952
  578   HD12  ILE  77          HD12      ILE  77 -10.846  -2.947   3.650
  579   HD13  ILE  77          HD13      ILE  77  -9.279  -2.285   3.194
  580    H    GLU  78           HN       GLU  78 -14.878  -0.042   4.186
  581    HA   GLU  78           HA       GLU  78 -16.922  -0.224   2.288
  582    HB2  GLU  78           HB2      GLU  78 -17.088  -1.174   4.536
  583    HB3  GLU  78           HB1      GLU  78 -17.054   0.433   5.241
  584    HG2  GLU  78           HG2      GLU  78 -19.289  -0.360   5.299
  585    HG3  GLU  78           HG1      GLU  78 -19.195   0.920   4.095
  586    H    ARG  79           HN       ARG  79 -15.786   2.476   4.216
  587    HA   ARG  79           HA       ARG  79 -17.858   4.280   3.511
  588    HB2  ARG  79           HB2      ARG  79 -16.420   4.424   5.552
  589    HB3  ARG  79           HB1      ARG  79 -15.080   4.901   4.523
  590    HG2  ARG  79           HG2      ARG  79 -16.210   6.931   3.904
  591    HG3  ARG  79           HG1      ARG  79 -17.657   6.434   4.787
  592    HD2  ARG  79           HD2      ARG  79 -16.338   6.415   6.871
  593    HD3  ARG  79           HD1      ARG  79 -14.940   6.994   5.971
  594    HE   ARG  79           HE       ARG  79 -16.600   8.927   5.407
  595   HH11  ARG  79          HH11      ARG  79 -16.287   7.260   8.469
  596   HH12  ARG  79          HH12      ARG  79 -16.727   8.644   9.414
  597   HH21  ARG  79          HH21      ARG  79 -17.172  10.762   6.658
  598   HH22  ARG  79          HH22      ARG  79 -17.231  10.632   8.386
  599    H    LEU  80           HN       LEU  80 -14.839   3.381   2.015
  600    HA   LEU  80           HA       LEU  80 -14.506   5.728   0.434
  601    HB2  LEU  80           HB2      LEU  80 -13.399   2.948   0.069
  602    HB3  LEU  80           HB1      LEU  80 -12.923   4.334  -0.890
  603    HG   LEU  80           HG       LEU  80 -12.452   3.926   2.063
  604   HD11  LEU  80          HD11      LEU  80 -10.975   2.641   0.627
  605   HD12  LEU  80          HD12      LEU  80 -10.095   3.954   1.409
  606   HD13  LEU  80          HD13      LEU  80 -10.569   4.096  -0.283
  607   HD21  LEU  80          HD21      LEU  80 -11.835   6.310   0.320
  608   HD22  LEU  80          HD22      LEU  80 -11.154   6.044   1.922
  609   HD23  LEU  80          HD23      LEU  80 -12.891   6.267   1.730
  610    H    MET  81           HN       MET  81 -16.700   3.192   0.219
  611    HA   MET  81           HA       MET  81 -16.827   3.107  -2.670
  612    HB2  MET  81           HB2      MET  81 -18.724   1.943  -0.625
  613    HB3  MET  81           HB1      MET  81 -18.755   1.615  -2.353
  614    HG2  MET  81           HG2      MET  81 -16.427   0.707  -2.121
  615    HG3  MET  81           HG1      MET  81 -16.623   0.853  -0.376
  616    HE1  MET  81           HE1      MET  81 -18.723  -0.287   0.893
  617    HE2  MET  81           HE2      MET  81 -19.751  -1.517   0.161
  618    HE3  MET  81           HE3      MET  81 -19.879   0.161  -0.361
  619    H    GLU  82           HN       GLU  82 -17.963   5.196  -0.322
  620    HA   GLU  82           HA       GLU  82 -20.260   6.068  -1.903
  621    HB2  GLU  82           HB2      GLU  82 -19.176   6.968   0.776
  622    HB3  GLU  82           HB1      GLU  82 -20.550   7.723  -0.015
  623    HG2  GLU  82           HG2      GLU  82 -20.399   4.837   0.815
  624    HG3  GLU  82           HG1      GLU  82 -21.193   6.118   1.722
  625    H    ALA  83           HN       ALA  83 -20.430   8.433  -2.435
  626    HA   ALA  83           HA       ALA  83 -18.339   9.276  -4.037
  627    HB1  ALA  83           HB1      ALA  83 -20.628  10.102  -4.257
  628    HB2  ALA  83           HB2      ALA  83 -19.474  11.433  -4.162
  629    HB3  ALA  83           HB3      ALA  83 -20.449  11.010  -2.756
  630    H    ASP  84           HN       ASP  84 -19.151  10.481  -0.780
  631    HA   ASP  84           HA       ASP  84 -17.046  12.300  -0.510
  632    HB2  ASP  84           HB2      ASP  84 -18.558  10.702   1.565
  633    HB3  ASP  84           HB1      ASP  84 -17.348  11.905   1.990
  634    H    GLY  85           HN       GLY  85 -17.148   8.856  -0.162
  635    HA2  GLY  85           HA2      GLY  85 -14.708   8.550   1.272
  636    HA3  GLY  85           HA1      GLY  85 -15.566   7.294   0.384
  637    H    ALA  86           HN       ALA  86 -15.558   8.217  -2.175
  638    HA   ALA  86           HA       ALA  86 -13.035   7.625  -3.153
  639    HB1  ALA  86           HB1      ALA  86 -15.084   7.487  -4.489
  640    HB2  ALA  86           HB2      ALA  86 -13.842   8.438  -5.303
  641    HB3  ALA  86           HB3      ALA  86 -15.189   9.247  -4.503
  642    H    ALA  87           HN       ALA  87 -14.481  10.714  -2.330
  643    HA   ALA  87           HA       ALA  87 -12.524  12.415  -3.381
  644    HB1  ALA  87           HB1      ALA  87 -14.227  12.831  -0.927
  645    HB2  ALA  87           HB2      ALA  87 -14.703  13.199  -2.584
  646    HB3  ALA  87           HB3      ALA  87 -13.381  14.088  -1.827
  647    H    ARG  88           HN       ARG  88 -12.696  10.701  -0.291
  648    HA   ARG  88           HA       ARG  88 -10.419  12.001   0.840
  649    HB2  ARG  88           HB2      ARG  88 -11.740   9.380   1.546
  650    HB3  ARG  88           HB1      ARG  88 -10.455  10.127   2.483
  651    HG2  ARG  88           HG2      ARG  88 -12.134  12.171   2.476
  652    HG3  ARG  88           HG1      ARG  88 -13.311  10.877   2.234
  653    HD2  ARG  88           HD2      ARG  88 -11.310  11.107   4.473
  654    HD3  ARG  88           HD1      ARG  88 -13.052  11.316   4.596
  655    HE   ARG  88           HE       ARG  88 -13.141   8.889   3.864
  656   HH11  ARG  88          HH11      ARG  88 -10.516  10.252   5.733
  657   HH12  ARG  88          HH12      ARG  88 -10.078   8.742   6.465
  658   HH21  ARG  88          HH21      ARG  88 -12.548   6.882   4.825
  659   HH22  ARG  88          HH22      ARG  88 -11.211   6.824   5.939
  660    H    PHE  89           HN       PHE  89 -10.934   9.177  -1.134
  661    HA   PHE  89           HA       PHE  89  -8.397   7.997  -0.788
  662    HB2  PHE  89           HB2      PHE  89 -10.339   6.801  -1.752
  663    HB3  PHE  89           HB1      PHE  89 -10.243   7.827  -3.182
  664    HD1  PHE  89           HD2      PHE  89  -7.874   5.748  -1.164
  665    HD2  PHE  89           HD1      PHE  89  -9.337   6.803  -5.022
  666    HE1  PHE  89           HE2      PHE  89  -6.311   4.160  -2.190
  667    HE2  PHE  89           HE1      PHE  89  -7.782   5.214  -6.048
  668    HZ   PHE  89           HZ       PHE  89  -6.262   3.888  -4.637
  669    H    GLU  90           HN       GLU  90  -9.605  10.451  -3.025
  670    HA   GLU  90           HA       GLU  90  -7.278  10.561  -4.635
  671    HB2  GLU  90           HB2      GLU  90  -9.442  12.601  -4.110
  672    HB3  GLU  90           HB1      GLU  90  -8.131  12.867  -5.249
  673    HG2  GLU  90           HG2      GLU  90 -10.275  10.766  -5.389
  674    HG3  GLU  90           HG1      GLU  90 -10.045  12.142  -6.465
  675    H    ARG  91           HN       ARG  91  -8.282  12.348  -1.742
  676    HA   ARG  91           HA       ARG  91  -6.044  14.083  -1.685
  677    HB2  ARG  91           HB2      ARG  91  -8.101  14.538  -0.411
  678    HB3  ARG  91           HB1      ARG  91  -7.782  13.140   0.606
  679    HG2  ARG  91           HG2      ARG  91  -5.709  14.203   1.391
  680    HG3  ARG  91           HG1      ARG  91  -6.078  15.616   0.404
  681    HD2  ARG  91           HD2      ARG  91  -7.818  14.549   2.620
  682    HD3  ARG  91           HD1      ARG  91  -6.696  15.898   2.777
  683    HE   ARG  91           HE       ARG  91  -8.345  16.528   0.663
  684   HH11  ARG  91          HH11      ARG  91  -8.714  15.857   4.072
  685   HH12  ARG  91          HH12      ARG  91 -10.130  16.844   4.247
  686   HH21  ARG  91          HH21      ARG  91 -10.206  17.842   0.884
  687   HH22  ARG  91          HH22      ARG  91 -10.979  17.974   2.430
  688    H    TYR  92           HN       TYR  92  -6.542  10.804  -0.685
  689    HA   TYR  92           HA       TYR  92  -4.266  10.650   1.047
  690    HB2  TYR  92           HB2      TYR  92  -6.175   9.123   1.309
  691    HB3  TYR  92           HB1      TYR  92  -5.871   8.460  -0.292
  692    HD1  TYR  92           HD1      TYR  92  -4.195   8.927   3.013
  693    HD2  TYR  92           HD2      TYR  92  -4.572   6.551  -0.498
  694    HE1  TYR  92           HE1      TYR  92  -2.703   7.238   4.003
  695    HE2  TYR  92           HE2      TYR  92  -3.085   4.857   0.481
  696    HH   TYR  92           HH       TYR  92  -1.336   4.707   2.193
  697    H    LEU  93           HN       LEU  93  -4.942   9.954  -2.337
  698    HA   LEU  93           HA       LEU  93  -2.490   8.699  -2.945
  699    HB2  LEU  93           HB2      LEU  93  -4.316  10.298  -4.744
  700    HB3  LEU  93           HB1      LEU  93  -3.005   9.272  -5.298
  701    HG   LEU  93           HG       LEU  93  -5.503   8.344  -3.871
  702   HD11  LEU  93          HD11      LEU  93  -4.599   8.030  -6.727
  703   HD12  LEU  93          HD12      LEU  93  -5.934   9.030  -6.155
  704   HD13  LEU  93          HD13      LEU  93  -6.023   7.273  -6.013
  705   HD21  LEU  93          HD21      LEU  93  -3.671   6.912  -3.254
  706   HD22  LEU  93          HD22      LEU  93  -3.144   6.795  -4.933
  707   HD23  LEU  93          HD23      LEU  93  -4.674   6.073  -4.436
  708    H    ALA  94           HN       ALA  94  -3.520  12.064  -2.956
  709    HA   ALA  94           HA       ALA  94  -1.131  13.107  -4.060
  710    HB1  ALA  94           HB1      ALA  94  -3.236  14.342  -4.084
  711    HB2  ALA  94           HB2      ALA  94  -1.960  15.275  -3.300
  712    HB3  ALA  94           HB3      ALA  94  -3.188  14.467  -2.325
  713    H    ALA  95           HN       ALA  95  -1.974  12.054  -0.870
  714    HA   ALA  95           HA       ALA  95   0.189  13.570   0.367
  715    HB1  ALA  95           HB1      ALA  95  -1.830  11.712   1.613
  716    HB2  ALA  95           HB2      ALA  95  -1.959  13.467   1.523
  717    HB3  ALA  95           HB3      ALA  95  -0.678  12.726   2.482
  718    H    LEU  96           HN       LEU  96  -0.143  10.658  -1.185
  719    HA   LEU  96           HA       LEU  96   1.030   8.734   0.353
  720    HB2  LEU  96           HB2      LEU  96   1.212   9.204  -2.600
  721    HB3  LEU  96           HB1      LEU  96   1.965   7.817  -1.843
  722    HG   LEU  96           HG       LEU  96  -0.979   8.443  -1.684
  723   HD11  LEU  96          HD11      LEU  96  -1.272   6.640  -3.295
  724   HD12  LEU  96          HD12      LEU  96   0.478   6.451  -3.416
  725   HD13  LEU  96          HD13      LEU  96  -0.289   7.937  -3.975
  726   HD21  LEU  96          HD21      LEU  96   0.633   6.029  -0.869
  727   HD22  LEU  96          HD22      LEU  96  -1.128   6.088  -0.928
  728   HD23  LEU  96          HD23      LEU  96  -0.251   7.125   0.194
  729    HA   PRO  97           HA       PRO  97   5.525  10.077  -1.134
  730    HB2  PRO  97           HB2      PRO  97   5.719  12.847  -1.263
  731    HB3  PRO  97           HB1      PRO  97   5.657  11.758  -2.651
  732    HG2  PRO  97           HG2      PRO  97   3.456  13.339  -1.385
  733    HG3  PRO  97           HG1      PRO  97   3.771  13.030  -3.104
  734    HD2  PRO  97           HD2      PRO  97   1.861  11.701  -1.797
  735    HD3  PRO  97           HD1      PRO  97   2.874  10.887  -3.008
  736    H    ARG  98           HN       ARG  98   3.545  12.297   0.802
  737    HA   ARG  98           HA       ARG  98   5.663  12.832   2.664
  738    HB2  ARG  98           HB2      ARG  98   2.720  13.474   2.702
  739    HB3  ARG  98           HB1      ARG  98   3.805  13.910   4.015
  740    HG2  ARG  98           HG2      ARG  98   5.174  15.191   2.391
  741    HG3  ARG  98           HG1      ARG  98   3.961  14.840   1.157
  742    HD2  ARG  98           HD2      ARG  98   3.395  16.252   3.758
  743    HD3  ARG  98           HD1      ARG  98   3.703  17.071   2.230
  744    HE   ARG  98           HE       ARG  98   1.691  15.734   1.422
  745   HH11  ARG  98          HH11      ARG  98   2.066  16.845   4.723
  746   HH12  ARG  98          HH12      ARG  98   0.363  17.003   4.998
  747   HH21  ARG  98          HH21      ARG  98  -0.554  15.947   1.778
  748   HH22  ARG  98          HH22      ARG  98  -1.130  16.475   3.324
  749    H    LYS  99           HN       LYS  99   2.922  10.652   2.559
  750    HA   LYS  99           HA       LYS  99   3.116   9.731   5.244
  751    HB2  LYS  99           HB2      LYS  99   2.026   8.340   2.788
  752    HB3  LYS  99           HB1      LYS  99   1.754   7.825   4.440
  753    HG2  LYS  99           HG2      LYS  99   0.867  10.473   3.319
  754    HG3  LYS  99           HG1      LYS  99  -0.153   9.039   3.420
  755    HD2  LYS  99           HD2      LYS  99   1.177  10.326   5.799
  756    HD3  LYS  99           HD1      LYS  99  -0.469  10.688   5.277
  757    HE2  LYS  99           HE2      LYS  99  -1.037   8.297   5.546
  758    HE3  LYS  99           HE1      LYS  99   0.590   8.004   6.157
  759    HZ1  LYS  99           HZ1      LYS  99  -1.374   9.853   7.399
  760    HZ2  LYS  99           HZ2      LYS  99   0.151   9.456   8.006
  761    HZ3  LYS  99           HZ3      LYS  99  -1.061   8.280   7.932
  762    H    LEU 100           HN       LEU 100   4.495   8.793   2.188
  763    HA   LEU 100           HA       LEU 100   5.727   6.395   2.907
  764    HB2  LEU 100           HB2      LEU 100   5.371   7.446   0.595
  765    HB3  LEU 100           HB1      LEU 100   6.816   8.379   0.922
  766    HG   LEU 100           HG       LEU 100   8.013   6.149   1.236
  767   HD11  LEU 100          HD11      LEU 100   6.113   4.698   1.502
  768   HD12  LEU 100          HD12      LEU 100   6.975   4.250   0.034
  769   HD13  LEU 100          HD13      LEU 100   5.478   5.176  -0.070
  770   HD21  LEU 100          HD21      LEU 100   8.305   7.570  -0.729
  771   HD22  LEU 100          HD22      LEU 100   6.888   6.833  -1.477
  772   HD23  LEU 100          HD23      LEU 100   8.328   5.862  -1.167
  773    H    ALA 101           HN       ALA 101   6.860   9.738   2.999
  774    HA   ALA 101           HA       ALA 101   9.492   9.217   3.859
  775    HB1  ALA 101           HB1      ALA 101   8.811  11.352   2.892
  776    HB2  ALA 101           HB2      ALA 101   9.549  11.581   4.478
  777    HB3  ALA 101           HB3      ALA 101   7.798  11.671   4.298
  778    H    ALA 102           HN       ALA 102   6.483   9.788   5.603
  779    HA   ALA 102           HA       ALA 102   7.577  10.000   8.184
  780    HB1  ALA 102           HB1      ALA 102   5.304   9.545   8.981
  781    HB2  ALA 102           HB2      ALA 102   4.836   9.054   7.352
  782    HB3  ALA 102           HB3      ALA 102   5.312  10.722   7.666
  783    H    TRP 103           HN       TRP 103   6.533   7.225   6.277
  784    HA   TRP 103           HA       TRP 103   6.793   5.329   8.379
  785    HB2  TRP 103           HB2      TRP 103   6.771   4.967   5.372
  786    HB3  TRP 103           HB1      TRP 103   6.781   3.629   6.519
  787    HD1  TRP 103           HD1      TRP 103   4.621   4.912   8.574
  788    HE1  TRP 103           HE1      TRP 103   2.144   4.949   7.875
  789    HE3  TRP 103           HE3      TRP 103   5.200   4.422   3.528
  790    HZ2  TRP 103           HZ2      TRP 103   0.641   4.795   5.496
  791    HZ3  TRP 103           HZ3      TRP 103   3.194   4.376   2.108
  792    HH2  TRP 103           HH2      TRP 103   0.960   4.558   3.074
  793    H    GLU 104           HN       GLU 104   9.017   6.590   5.954
  794    HA   GLU 104           HA       GLU 104  11.068   4.718   6.199
  795    HB2  GLU 104           HB2      GLU 104  11.303   7.695   5.733
  796    HB3  GLU 104           HB1      GLU 104  12.607   6.543   5.509
  797    HG2  GLU 104           HG2      GLU 104  11.140   5.386   3.821
  798    HG3  GLU 104           HG1      GLU 104  10.064   6.785   3.932
  799    H    ASN 105           HN       ASN 105  10.560   7.717   7.995
  800    HA   ASN 105           HA       ASN 105  12.879   7.444   9.597
  801    HB2  ASN 105           HB2      ASN 105  11.738   9.603   9.137
  802    HB3  ASN 105           HB1      ASN 105  10.395   9.084  10.148
  803   HD21  ASN 105          HD21      ASN 105  13.783   8.444  10.848
  804   HD22  ASN 105          HD22      ASN 105  13.864   9.443  12.258
  805    H    ALA 106           HN       ALA 106   9.534   6.441  10.047
  806    HA   ALA 106           HA       ALA 106   9.891   5.914  12.854
  807    HB1  ALA 106           HB1      ALA 106   7.746   6.697  11.954
  808    HB2  ALA 106           HB2      ALA 106   7.584   5.166  12.812
  809    HB3  ALA 106           HB3      ALA 106   7.588   5.193  11.050
  810    H    ARG 107           HN       ARG 107   9.708   3.959   9.912
  811    HA   ARG 107           HA       ARG 107   9.771   1.547  11.583
  812    HB2  ARG 107           HB2      ARG 107   9.132   1.762   8.643
  813    HB3  ARG 107           HB1      ARG 107   8.956   0.328   9.643
  814    HG2  ARG 107           HG2      ARG 107   7.415   2.903   9.944
  815    HG3  ARG 107           HG1      ARG 107   6.810   1.402   9.248
  816    HD2  ARG 107           HD2      ARG 107   7.753   1.734  12.102
  817    HD3  ARG 107           HD1      ARG 107   6.070   1.745  11.586
  818    HE   ARG 107           HE       ARG 107   7.659  -0.619  10.937
  819   HH11  ARG 107          HH11      ARG 107   5.308   0.888  13.058
  820   HH12  ARG 107          HH12      ARG 107   4.644  -0.623  13.596
  821   HH21  ARG 107          HH21      ARG 107   6.801  -2.606  11.671
  822   HH22  ARG 107          HH22      ARG 107   5.487  -2.606  12.806
  823    H    GLY 108           HN       GLY 108  11.982   3.417  10.051
  824    HA2  GLY 108           HA2      GLY 108  14.227   3.014   9.654
  825    HA3  GLY 108           HA1      GLY 108  13.976   1.369  10.228
  826    H    VAL 109           HN       VAL 109  12.669   3.229   7.522
  827    HA   VAL 109           HA       VAL 109  13.485   1.038   5.729
  828    HB   VAL 109           HB       VAL 109  10.964   2.707   5.553
  829   HG11  VAL 109          HG11      VAL 109  11.860   2.200   3.336
  830   HG12  VAL 109          HG12      VAL 109  10.360   1.324   3.644
  831   HG13  VAL 109          HG13      VAL 109  11.906   0.485   3.749
  832   HG21  VAL 109          HG21      VAL 109  10.830   0.994   7.282
  833   HG22  VAL 109          HG22      VAL 109  11.320  -0.231   6.113
  834   HG23  VAL 109          HG23      VAL 109   9.780   0.603   5.920
  835    H    ASP 110           HN       ASP 110  14.501   1.643   3.843
  836    HA   ASP 110           HA       ASP 110  14.761   4.545   3.370
  837    HB2  ASP 110           HB2      ASP 110  16.828   3.409   4.355
  838    HB3  ASP 110           HB1      ASP 110  16.948   2.520   2.837
  839    H    PHE 111           HN       PHE 111  13.358   4.733   1.673
  840    HA   PHE 111           HA       PHE 111  13.160   2.742  -0.365
  841    HB2  PHE 111           HB2      PHE 111  12.018   5.518  -0.114
  842    HB3  PHE 111           HB1      PHE 111  11.743   4.510  -1.530
  843    HD1  PHE 111           HD1      PHE 111  10.495   2.389  -1.314
  844    HD2  PHE 111           HD2      PHE 111  10.880   5.110   1.931
  845    HE1  PHE 111           HE1      PHE 111   8.640   1.269  -0.160
  846    HE2  PHE 111           HE2      PHE 111   9.025   3.993   3.095
  847    HZ   PHE 111           HZ       PHE 111   7.899   2.067   2.050
  848    H    GLY 112           HN       GLY 112  15.294   5.353   0.126
  849    HA2  GLY 112           HA2      GLY 112  15.969   5.750  -2.642
  850    HA3  GLY 112           HA1      GLY 112  16.897   6.302  -1.251
  851    H    SER 113           HN       SER 113  17.197   3.821   0.023
  852    HA   SER 113           HA       SER 113  19.307   2.666  -1.593
  853    HB2  SER 113           HB2      SER 113  19.751   3.101   0.764
  854    HB3  SER 113           HB1      SER 113  18.377   2.103   1.237
  855    HG   SER 113           HG       SER 113  19.533   0.369   0.977
  856    H    ARG 114           HN       ARG 114  16.053   2.073  -0.850
  857    HA   ARG 114           HA       ARG 114  14.549   0.497  -1.452
  858    HB2  ARG 114           HB2      ARG 114  16.782  -0.678  -3.119
  859    HB3  ARG 114           HB1      ARG 114  15.063  -1.034  -3.279
  860    HG2  ARG 114           HG2      ARG 114  14.599   1.189  -4.013
  861    HG3  ARG 114           HG1      ARG 114  16.244   1.707  -3.651
  862    HD2  ARG 114           HD2      ARG 114  16.963  -0.086  -5.342
  863    HD3  ARG 114           HD1      ARG 114  15.275  -0.081  -5.851
  864    HE   ARG 114           HE       ARG 114  15.967   2.545  -5.878
  865   HH11  ARG 114          HH11      ARG 114  17.180  -0.342  -7.442
  866   HH12  ARG 114          HH12      ARG 114  17.935   0.525  -8.743
  867   HH21  ARG 114          HH21      ARG 114  16.942   3.688  -7.586
  868   HH22  ARG 114          HH22      ARG 114  17.791   2.823  -8.825
  869    H    THR 115           HN       THR 115  16.331   0.230   0.823
  870    HA   THR 115           HA       THR 115  15.969  -2.638   1.325
  871    HB   THR 115           HB       THR 115  18.060  -2.514   2.763
  872    HG1  THR 115           HG1      THR 115  19.059  -0.659   2.871
  873   HG21  THR 115          HG21      THR 115  19.608  -2.814   0.871
  874   HG22  THR 115          HG22      THR 115  18.392  -2.143  -0.216
  875   HG23  THR 115          HG23      THR 115  18.085  -3.667   0.617
  876    H    GLN 116           HN       GLN 116  16.293  -2.961   3.857
  877    HA   GLN 116           HA       GLN 116  15.247  -0.668   5.323
  878    HB2  GLN 116           HB2      GLN 116  13.534  -2.092   6.423
  879    HB3  GLN 116           HB1      GLN 116  13.247  -1.874   4.705
  880    HG2  GLN 116           HG2      GLN 116  14.080  -4.085   4.234
  881    HG3  GLN 116           HG1      GLN 116  14.531  -4.310   5.924
  882   HE21  GLN 116          HE21      GLN 116  12.121  -3.013   6.925
  883   HE22  GLN 116          HE22      GLN 116  10.838  -4.139   6.687
  884    H    ALA 117           HN       ALA 117  15.751  -0.625   7.487
  885    HA   ALA 117           HA       ALA 117  17.966  -2.313   8.281
  886    HB1  ALA 117           HB1      ALA 117  16.605  -0.069   9.767
  887    HB2  ALA 117           HB2      ALA 117  18.010   0.104   8.717
  888    HB3  ALA 117           HB3      ALA 117  18.132  -0.833  10.206
  889    H    ASP 118           HN       ASP 118  14.649  -2.410   8.490
  890    HA   ASP 118           HA       ASP 118  14.521  -3.797  11.043
  891    HB2  ASP 118           HB2      ASP 118  12.757  -2.122  10.122
  892    HB3  ASP 118           HB1      ASP 118  12.228  -3.470   9.115
  893    H    ALA 119           HN       ALA 119  13.070  -5.861  10.976
  894    HA   ALA 119           HA       ALA 119  14.339  -7.730   9.192
  895    HB1  ALA 119           HB1      ALA 119  12.123  -8.153  11.200
  896    HB2  ALA 119           HB2      ALA 119  13.846  -8.357  11.508
  897    HB3  ALA 119           HB3      ALA 119  13.020  -9.424  10.373
  898    H    LEU 120           HN       LEU 120  11.122  -6.320   9.611
  899    HA   LEU 120           HA       LEU 120  10.374  -6.728   6.906
  900    HB2  LEU 120           HB2      LEU 120  10.120  -9.044   7.769
  901    HB3  LEU 120           HB1      LEU 120   9.031  -8.452   8.999
  902    HG   LEU 120           HG       LEU 120   7.435  -7.780   7.243
  903   HD11  LEU 120          HD11      LEU 120   7.795  -8.647   4.958
  904   HD12  LEU 120          HD12      LEU 120   9.448  -9.060   5.412
  905   HD13  LEU 120          HD13      LEU 120   8.927  -7.377   5.412
  906   HD21  LEU 120          HD21      LEU 120   8.318 -10.658   7.126
  907   HD22  LEU 120          HD22      LEU 120   6.745 -10.042   6.621
  908   HD23  LEU 120          HD23      LEU 120   7.225  -9.952   8.315
  909    H    VAL 121           HN       VAL 121   8.642  -5.338   6.428
  910    HA   VAL 121           HA       VAL 121   7.547  -3.984   8.799
  911    HB   VAL 121           HB       VAL 121   9.058  -2.483   7.715
  912   HG11  VAL 121          HG11      VAL 121   8.874  -1.766   5.423
  913   HG12  VAL 121          HG12      VAL 121   7.481  -2.814   5.176
  914   HG13  VAL 121          HG13      VAL 121   9.066  -3.518   5.486
  915   HG21  VAL 121          HG21      VAL 121   6.209  -1.719   7.113
  916   HG22  VAL 121          HG22      VAL 121   7.572  -0.603   7.198
  917   HG23  VAL 121          HG23      VAL 121   7.060  -1.482   8.638
  918    H    LEU 122           HN       LEU 122   5.695  -5.084   9.005
  919    HA   LEU 122           HA       LEU 122   3.767  -4.957   6.780
  920    HB2  LEU 122           HB2      LEU 122   3.542  -6.584   9.313
  921    HB3  LEU 122           HB1      LEU 122   2.557  -6.730   7.873
  922    HG   LEU 122           HG       LEU 122   5.474  -7.483   8.122
  923   HD11  LEU 122          HD11      LEU 122   4.665  -9.762   7.785
  924   HD12  LEU 122          HD12      LEU 122   3.003  -9.174   7.773
  925   HD13  LEU 122          HD13      LEU 122   3.974  -9.042   9.239
  926   HD21  LEU 122          HD21      LEU 122   3.618  -7.714   5.759
  927   HD22  LEU 122          HD22      LEU 122   5.248  -8.378   5.860
  928   HD23  LEU 122          HD23      LEU 122   5.005  -6.633   5.894
  929    H    LEU 123           HN       LEU 123   2.676  -3.076   6.939
  930    HA   LEU 123           HA       LEU 123   2.119  -1.995   9.599
  931    HB2  LEU 123           HB2      LEU 123   1.772  -0.693   6.901
  932    HB3  LEU 123           HB1      LEU 123   1.621   0.096   8.459
  933    HG   LEU 123           HG       LEU 123   4.154  -1.042   7.287
  934   HD11  LEU 123          HD11      LEU 123   3.405   1.022   6.211
  935   HD12  LEU 123          HD12      LEU 123   4.867   1.282   7.161
  936   HD13  LEU 123          HD13      LEU 123   3.304   1.805   7.788
  937   HD21  LEU 123          HD21      LEU 123   4.116  -1.275   9.717
  938   HD22  LEU 123          HD22      LEU 123   3.698   0.431   9.877
  939   HD23  LEU 123          HD23      LEU 123   5.263  -0.038   9.213
  940    H    GLY 124           HN       GLY 124   0.276  -2.542  10.489
  941    HA2  GLY 124           HA2      GLY 124  -2.114  -2.821   8.802
  942    HA3  GLY 124           HA1      GLY 124  -1.930  -3.479  10.420
  943    H    GLY 125           HN       GLY 125  -4.172  -2.031   9.690
  944    HA2  GLY 125           HA2      GLY 125  -5.529  -0.458  10.641
  945    HA3  GLY 125           HA1      GLY 125  -4.262  -0.183  11.823
  946    H    LEU 126           HN       LEU 126  -3.708   0.305   8.382
  947    HA   LEU 126           HA       LEU 126  -3.004   3.021   8.802
  948    HB2  LEU 126           HB2      LEU 126  -3.284   1.282   6.409
  949    HB3  LEU 126           HB1      LEU 126  -3.314   3.019   6.163
  950    HG   LEU 126           HG       LEU 126  -1.108   3.164   7.320
  951   HD11  LEU 126          HD11      LEU 126  -1.229   1.115   8.619
  952   HD12  LEU 126          HD12      LEU 126   0.198   1.124   7.585
  953   HD13  LEU 126          HD13      LEU 126  -1.208   0.160   7.136
  954   HD21  LEU 126          HD21      LEU 126  -1.293   3.140   4.887
  955   HD22  LEU 126          HD22      LEU 126  -1.215   1.377   4.895
  956   HD23  LEU 126          HD23      LEU 126   0.173   2.325   5.430
  957    H    ASP 127           HN       ASP 127  -4.054   4.866   8.455
  958    HA   ASP 127           HA       ASP 127  -6.964   4.693   8.052
  959    HB2  ASP 127           HB2      ASP 127  -5.419   7.044   9.191
  960    HB3  ASP 127           HB1      ASP 127  -7.156   6.765   9.267
  961    H    PHE 128           HN       PHE 128  -7.963   6.328   6.700
  962    HA   PHE 128           HA       PHE 128  -6.163   7.300   4.598
  963    HB2  PHE 128           HB2      PHE 128  -9.173   7.044   4.699
  964    HB3  PHE 128           HB1      PHE 128  -8.306   7.800   3.367
  965    HD1  PHE 128           HD1      PHE 128  -6.897   6.456   1.881
  966    HD2  PHE 128           HD2      PHE 128  -9.196   4.669   4.989
  967    HE1  PHE 128           HE1      PHE 128  -6.612   4.257   0.825
  968    HE2  PHE 128           HE2      PHE 128  -8.912   2.463   3.937
  969    HZ   PHE 128           HZ       PHE 128  -7.597   2.254   1.854
  970    H    GLU 129           HN       GLU 129  -6.281   8.489   7.212
  971    HA   GLU 129           HA       GLU 129  -7.710  10.990   6.934
  972    HB2  GLU 129           HB2      GLU 129  -7.324   9.616   9.106
  973    HB3  GLU 129           HB1      GLU 129  -5.715  10.313   9.088
  974    HG2  GLU 129           HG2      GLU 129  -8.243  11.939   9.099
  975    HG3  GLU 129           HG1      GLU 129  -7.363  11.473  10.550
  976    H    ALA 130           HN       ALA 130  -6.847  12.355   5.512
  977    HA   ALA 130           HA       ALA 130  -3.934  12.769   5.555
  978    HB1  ALA 130           HB1      ALA 130  -4.095  13.435   3.206
  979    HB2  ALA 130           HB2      ALA 130  -5.826  13.102   3.228
  980    HB3  ALA 130           HB3      ALA 130  -4.672  11.786   3.447
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -24.434   0.980   8.366
    2    H2   GLY   1           HT2      GLY   1 -25.466   1.818   7.326
    3    H3   GLY   1           HT3      GLY   1 -24.216   0.875   6.693
    4    HA2  GLY   1           HA1      GLY   1 -26.550  -0.146   8.206
    5    HA3  GLY   1           HA2      GLY   1 -26.359  -0.227   6.462
    6    H    ALA   2           HN       ALA   2 -24.954  -1.717   5.560
    7    HA   ALA   2           HA       ALA   2 -24.416  -4.016   7.225
    8    HB1  ALA   2           HB1      ALA   2 -23.867  -3.583   4.288
    9    HB2  ALA   2           HB2      ALA   2 -25.340  -4.279   4.962
   10    HB3  ALA   2           HB3      ALA   2 -23.803  -5.122   5.145
   11    H    MET   3           HN       MET   3 -22.486  -4.658   7.990
   12    HA   MET   3           HA       MET   3 -20.005  -3.652   6.947
   13    HB2  MET   3           HB2      MET   3 -19.265  -2.604   9.071
   14    HB3  MET   3           HB1      MET   3 -20.618  -1.748   8.343
   15    HG2  MET   3           HG2      MET   3 -22.147  -2.813   9.920
   16    HG3  MET   3           HG1      MET   3 -20.798  -3.695  10.636
   17    HE1  MET   3           HE1      MET   3 -21.587  -2.780  13.013
   18    HE2  MET   3           HE2      MET   3 -22.880  -1.832  12.278
   19    HE3  MET   3           HE3      MET   3 -21.754  -1.067  13.399
   20    H    GLY   4           HN       GLY   4 -18.264  -4.287   8.918
   21    HA2  GLY   4           HA2      GLY   4 -17.480  -6.003  10.302
   22    HA3  GLY   4           HA1      GLY   4 -18.975  -6.885  10.021
   23    H    MET   5           HN       MET   5 -19.238  -8.007   8.020
   24    HA   MET   5           HA       MET   5 -16.674  -8.710   6.740
   25    HB2  MET   5           HB2      MET   5 -19.251 -10.298   6.896
   26    HB3  MET   5           HB1      MET   5 -17.804 -10.807   6.046
   27    HG2  MET   5           HG2      MET   5 -16.583 -10.952   8.121
   28    HG3  MET   5           HG1      MET   5 -17.965 -10.311   9.010
   29    HE1  MET   5           HE1      MET   5 -20.178 -11.573   9.435
   30    HE2  MET   5           HE2      MET   5 -20.566 -13.171   8.804
   31    HE3  MET   5           HE3      MET   5 -20.451 -11.796   7.707
   32    H    SER   6           HN       SER   6 -16.444  -7.681   4.846
   33    HA   SER   6           HA       SER   6 -18.833  -7.391   3.167
   34    HB2  SER   6           HB2      SER   6 -17.727  -5.202   2.390
   35    HB3  SER   6           HB1      SER   6 -18.485  -5.212   3.979
   36    HG   SER   6           HG       SER   6 -16.469  -4.271   4.155
   37    HA   PRO   7           HA       PRO   7 -15.510  -9.726   0.883
   38    HB2  PRO   7           HB2      PRO   7 -17.900 -11.020  -0.272
   39    HB3  PRO   7           HB1      PRO   7 -16.450 -11.752   0.415
   40    HG2  PRO   7           HG2      PRO   7 -18.785 -11.816   1.715
   41    HG3  PRO   7           HG1      PRO   7 -17.248 -11.631   2.580
   42    HD2  PRO   7           HD2      PRO   7 -19.299  -9.560   1.884
   43    HD3  PRO   7           HD1      PRO   7 -18.356  -9.752   3.377
   44    H    ASP   8           HN       ASP   8 -18.581  -8.375  -0.196
   45    HA   ASP   8           HA       ASP   8 -17.869  -8.132  -2.935
   46    HB2  ASP   8           HB2      ASP   8 -19.966  -6.734  -1.269
   47    HB3  ASP   8           HB1      ASP   8 -19.771  -6.453  -2.995
   48    H    THR   9           HN       THR   9 -17.871  -5.852  -0.236
   49    HA   THR   9           HA       THR   9 -16.838  -3.637  -1.580
   50    HB   THR   9           HB       THR   9 -16.327  -4.368   1.303
   51    HG1  THR   9           HG1      THR   9 -18.316  -3.082   1.611
   52   HG21  THR   9          HG21      THR   9 -15.058  -2.449   0.412
   53   HG22  THR   9          HG22      THR   9 -16.214  -1.974   1.653
   54   HG23  THR   9          HG23      THR   9 -16.575  -1.681  -0.048
   55    H    ALA  10           HN       ALA  10 -15.215  -6.263   0.140
   56    HA   ALA  10           HA       ALA  10 -12.600  -5.231  -0.053
   57    HB1  ALA  10           HB1      ALA  10 -13.431  -8.115   0.203
   58    HB2  ALA  10           HB2      ALA  10 -13.280  -6.976   1.541
   59    HB3  ALA  10           HB3      ALA  10 -11.856  -7.431   0.607
   60    H    ARG  11           HN       ARG  11 -14.465  -7.366  -2.149
   61    HA   ARG  11           HA       ARG  11 -12.344  -7.955  -3.947
   62    HB2  ARG  11           HB2      ARG  11 -14.266  -9.409  -3.845
   63    HB3  ARG  11           HB1      ARG  11 -15.344  -8.088  -4.270
   64    HG2  ARG  11           HG2      ARG  11 -14.371  -7.973  -6.487
   65    HG3  ARG  11           HG1      ARG  11 -13.221  -9.245  -6.066
   66    HD2  ARG  11           HD2      ARG  11 -14.992 -10.838  -5.807
   67    HD3  ARG  11           HD1      ARG  11 -16.214  -9.584  -6.000
   68    HE   ARG  11           HE       ARG  11 -14.639  -9.575  -8.294
   69   HH11  ARG  11          HH11      ARG  11 -16.802 -11.777  -6.647
   70   HH12  ARG  11          HH12      ARG  11 -17.375 -12.513  -8.110
   71   HH21  ARG  11          HH21      ARG  11 -15.387 -10.538 -10.225
   72   HH22  ARG  11          HH22      ARG  11 -16.571 -11.805 -10.150
   73    H    ARG  12           HN       ARG  12 -14.789  -5.453  -3.762
   74    HA   ARG  12           HA       ARG  12 -14.357  -4.312  -6.307
   75    HB2  ARG  12           HB2      ARG  12 -16.346  -3.936  -4.829
   76    HB3  ARG  12           HB1      ARG  12 -15.328  -2.942  -3.800
   77    HG2  ARG  12           HG2      ARG  12 -15.046  -1.311  -5.505
   78    HG3  ARG  12           HG1      ARG  12 -15.803  -2.357  -6.709
   79    HD2  ARG  12           HD2      ARG  12 -17.163  -1.202  -4.277
   80    HD3  ARG  12           HD1      ARG  12 -17.338  -0.613  -5.929
   81    HE   ARG  12           HE       ARG  12 -18.326  -2.805  -6.469
   82   HH11  ARG  12          HH11      ARG  12 -18.305  -1.763  -3.122
   83   HH12  ARG  12          HH12      ARG  12 -19.651  -2.759  -2.676
   84   HH21  ARG  12          HH21      ARG  12 -20.095  -4.123  -5.868
   85   HH22  ARG  12          HH22      ARG  12 -20.669  -4.094  -4.229
   86    H    PHE  13           HN       PHE  13 -12.899  -3.778  -3.142
   87    HA   PHE  13           HA       PHE  13 -11.309  -1.552  -3.873
   88    HB2  PHE  13           HB2      PHE  13 -11.777  -2.333  -1.507
   89    HB3  PHE  13           HB1      PHE  13 -10.643  -3.643  -1.783
   90    HD1  PHE  13           HD2      PHE  13  -8.254  -3.213  -1.938
   91    HD2  PHE  13           HD1      PHE  13 -11.014  -0.055  -1.212
   92    HE1  PHE  13           HE2      PHE  13  -6.401  -1.764  -1.228
   93    HE2  PHE  13           HE1      PHE  13  -9.164   1.399  -0.502
   94    HZ   PHE  13           HZ       PHE  13  -6.853   0.548  -0.508
   95    H    ASP  14           HN       ASP  14 -10.825  -5.024  -3.949
   96    HA   ASP  14           HA       ASP  14  -8.134  -5.125  -4.686
   97    HB2  ASP  14           HB2      ASP  14  -9.087  -7.143  -3.979
   98    HB3  ASP  14           HB1      ASP  14 -10.465  -6.977  -5.057
   99    H    THR  15           HN       THR  15 -11.018  -4.711  -6.641
  100    HA   THR  15           HA       THR  15  -9.480  -5.034  -9.084
  101    HB   THR  15           HB       THR  15 -11.863  -4.595 -10.077
  102    HG1  THR  15           HG1      THR  15 -12.597  -5.583  -7.514
  103   HG21  THR  15          HG21      THR  15 -12.372  -6.970  -9.856
  104   HG22  THR  15          HG22      THR  15 -11.222  -7.106  -8.527
  105   HG23  THR  15          HG23      THR  15 -10.651  -6.733 -10.153
  106    H    GLU  16           HN       GLU  16 -11.285  -2.481  -7.404
  107    HA   GLU  16           HA       GLU  16 -10.846  -0.676  -9.651
  108    HB2  GLU  16           HB2      GLU  16 -13.070  -0.873  -8.537
  109    HB3  GLU  16           HB1      GLU  16 -12.358  -0.188  -7.084
  110    HG2  GLU  16           HG2      GLU  16 -13.513   1.546  -8.228
  111    HG3  GLU  16           HG1      GLU  16 -11.782   1.841  -8.399
  112    H    PHE  17           HN       PHE  17  -9.942  -0.907  -6.216
  113    HA   PHE  17           HA       PHE  17  -8.682   1.730  -6.426
  114    HB2  PHE  17           HB2      PHE  17  -9.431   0.049  -4.038
  115    HB3  PHE  17           HB1      PHE  17  -8.506   1.538  -3.913
  116    HD1  PHE  17           HD2      PHE  17 -11.781   0.125  -4.911
  117    HD2  PHE  17           HD1      PHE  17  -9.562   3.649  -4.017
  118    HE1  PHE  17           HE2      PHE  17 -13.869   1.420  -4.847
  119    HE2  PHE  17           HE1      PHE  17 -11.651   4.948  -3.953
  120    HZ   PHE  17           HZ       PHE  17 -13.806   3.834  -4.366
  121    H    ALA  18           HN       ALA  18  -7.860  -1.586  -5.422
  122    HA   ALA  18           HA       ALA  18  -5.340  -1.022  -4.399
  123    HB1  ALA  18           HB1      ALA  18  -6.162  -3.609  -5.696
  124    HB2  ALA  18           HB2      ALA  18  -6.565  -3.132  -4.049
  125    HB3  ALA  18           HB3      ALA  18  -4.880  -3.370  -4.510
  126    HA   PRO  19           HA       PRO  19  -3.423  -2.084  -8.786
  127    HB2  PRO  19           HB2      PRO  19  -5.642  -1.074 -10.495
  128    HB3  PRO  19           HB1      PRO  19  -4.555  -2.448 -10.756
  129    HG2  PRO  19           HG2      PRO  19  -7.072  -2.863 -10.041
  130    HG3  PRO  19           HG1      PRO  19  -5.769  -3.839  -9.338
  131    HD2  PRO  19           HD2      PRO  19  -7.247  -1.519  -8.149
  132    HD3  PRO  19           HD1      PRO  19  -6.775  -3.056  -7.397
  133    H    ARG  20           HN       ARG  20  -5.641   0.558  -8.176
  134    HA   ARG  20           HA       ARG  20  -4.214   2.499  -9.703
  135    HB2  ARG  20           HB2      ARG  20  -6.629   2.705  -9.172
  136    HB3  ARG  20           HB1      ARG  20  -6.222   2.902  -7.475
  137    HG2  ARG  20           HG2      ARG  20  -5.067   4.972  -7.960
  138    HG3  ARG  20           HG1      ARG  20  -5.378   4.764  -9.684
  139    HD2  ARG  20           HD2      ARG  20  -7.777   4.896  -9.278
  140    HD3  ARG  20           HD1      ARG  20  -7.488   5.057  -7.547
  141    HE   ARG  20           HE       ARG  20  -6.194   7.064  -9.169
  142   HH11  ARG  20          HH11      ARG  20  -9.113   6.189  -7.451
  143   HH12  ARG  20          HH12      ARG  20  -9.616   7.831  -7.208
  144   HH21  ARG  20          HH21      ARG  20  -6.864   9.232  -8.870
  145   HH22  ARG  20          HH22      ARG  20  -8.329   9.569  -7.988
  146    H    ILE  21           HN       ILE  21  -4.284   1.509  -6.326
  147    HA   ILE  21           HA       ILE  21  -2.522   3.507  -5.352
  148    HB   ILE  21           HB       ILE  21  -3.029   0.737  -4.243
  149   HG12  ILE  21          HG12      ILE  21  -4.308   3.376  -3.500
  150   HG13  ILE  21          HG11      ILE  21  -5.074   2.143  -4.496
  151   HG21  ILE  21          HG21      ILE  21  -1.944   3.193  -2.863
  152   HG22  ILE  21          HG22      ILE  21  -0.979   1.815  -3.384
  153   HG23  ILE  21          HG23      ILE  21  -2.204   1.608  -2.135
  154   HD11  ILE  21          HD11      ILE  21  -4.960   0.581  -2.592
  155   HD12  ILE  21          HD12      ILE  21  -5.911   2.024  -2.243
  156   HD13  ILE  21          HD13      ILE  21  -4.274   1.872  -1.604
  157    H    ALA  22           HN       ALA  22  -2.046   0.173  -6.441
  158    HA   ALA  22           HA       ALA  22   0.673  -0.060  -5.851
  159    HB1  ALA  22           HB1      ALA  22  -0.789  -1.959  -6.394
  160    HB2  ALA  22           HB2      ALA  22   0.679  -1.952  -7.372
  161    HB3  ALA  22           HB3      ALA  22  -0.848  -1.417  -8.071
  162    H    ARG  23           HN       ARG  23  -0.928   1.067  -8.799
  163    HA   ARG  23           HA       ARG  23   1.468   1.392 -10.280
  164    HB2  ARG  23           HB2      ARG  23  -1.294   2.548 -10.624
  165    HB3  ARG  23           HB1      ARG  23   0.022   2.887 -11.736
  166    HG2  ARG  23           HG2      ARG  23   0.216   0.472 -12.197
  167    HG3  ARG  23           HG1      ARG  23  -1.173   0.190 -11.141
  168    HD2  ARG  23           HD2      ARG  23  -1.809   0.276 -13.519
  169    HD3  ARG  23           HD1      ARG  23  -2.573   1.553 -12.574
  170    HE   ARG  23           HE       ARG  23  -0.099   2.293 -13.881
  171   HH11  ARG  23          HH11      ARG  23  -3.589   2.186 -14.119
  172   HH12  ARG  23          HH12      ARG  23  -3.673   3.457 -15.293
  173   HH21  ARG  23          HH21      ARG  23  -0.202   3.968 -15.413
  174   HH22  ARG  23          HH22      ARG  23  -1.742   4.475 -16.030
  175    H    ALA  24           HN       ALA  24  -0.436   3.553  -8.246
  176    HA   ALA  24           HA       ALA  24   0.901   5.944  -8.888
  177    HB1  ALA  24           HB1      ALA  24  -0.066   6.836  -6.844
  178    HB2  ALA  24           HB2      ALA  24  -0.457   5.205  -6.299
  179    HB3  ALA  24           HB3      ALA  24  -1.257   5.875  -7.721
  180    H    ILE  25           HN       ILE  25   1.437   3.565  -6.324
  181    HA   ILE  25           HA       ILE  25   3.591   4.881  -5.082
  182    HB   ILE  25           HB       ILE  25   2.982   1.918  -5.190
  183   HG12  ILE  25          HG12      ILE  25   2.287   4.005  -3.103
  184   HG13  ILE  25          HG11      ILE  25   1.155   3.282  -4.242
  185   HG21  ILE  25          HG21      ILE  25   4.776   3.472  -3.324
  186   HG22  ILE  25          HG22      ILE  25   5.289   2.305  -4.542
  187   HG23  ILE  25          HG23      ILE  25   4.348   1.770  -3.150
  188   HD11  ILE  25          HD11      ILE  25   2.672   1.812  -2.099
  189   HD12  ILE  25          HD12      ILE  25   1.515   1.100  -3.223
  190   HD13  ILE  25          HD13      ILE  25   0.974   2.283  -2.030
  191    H    ALA  26           HN       ALA  26   3.503   2.359  -7.580
  192    HA   ALA  26           HA       ALA  26   6.269   1.984  -7.818
  193    HB1  ALA  26           HB1      ALA  26   4.144   1.622  -9.926
  194    HB2  ALA  26           HB2      ALA  26   4.616   0.426  -8.718
  195    HB3  ALA  26           HB3      ALA  26   5.766   0.930  -9.956
  196    H    ASP  27           HN       ASP  27   4.084   4.271  -9.340
  197    HA   ASP  27           HA       ASP  27   5.971   5.298 -11.211
  198    HB2  ASP  27           HB2      ASP  27   3.531   5.505 -11.536
  199    HB3  ASP  27           HB1      ASP  27   3.438   6.560 -10.131
  200    H    LEU  28           HN       LEU  28   5.021   6.111  -7.946
  201    HA   LEU  28           HA       LEU  28   6.363   8.623  -7.849
  202    HB2  LEU  28           HB2      LEU  28   4.483   8.082  -6.367
  203    HB3  LEU  28           HB1      LEU  28   5.415   6.791  -5.639
  204    HG   LEU  28           HG       LEU  28   6.995   8.456  -4.729
  205   HD11  LEU  28          HD11      LEU  28   6.346  10.840  -4.774
  206   HD12  LEU  28          HD12      LEU  28   5.081  10.445  -5.939
  207   HD13  LEU  28          HD13      LEU  28   6.776  10.211  -6.363
  208   HD21  LEU  28          HD21      LEU  28   5.494   9.358  -3.029
  209   HD22  LEU  28          HD22      LEU  28   5.093   7.679  -3.393
  210   HD23  LEU  28          HD23      LEU  28   4.103   8.984  -4.046
  211    H    LEU  29           HN       LEU  29   7.206   5.308  -7.126
  212    HA   LEU  29           HA       LEU  29   9.772   6.036  -5.992
  213    HB2  LEU  29           HB2      LEU  29   8.677   3.321  -6.741
  214    HB3  LEU  29           HB1      LEU  29  10.128   3.618  -5.804
  215    HG   LEU  29           HG       LEU  29   7.319   4.300  -4.947
  216   HD11  LEU  29          HD11      LEU  29   7.729   1.896  -4.992
  217   HD12  LEU  29          HD12      LEU  29   7.607   2.490  -3.335
  218   HD13  LEU  29          HD13      LEU  29   9.188   2.121  -4.026
  219   HD21  LEU  29          HD21      LEU  29   9.971   4.578  -3.555
  220   HD22  LEU  29          HD22      LEU  29   8.413   4.669  -2.737
  221   HD23  LEU  29          HD23      LEU  29   8.833   5.863  -3.965
  222    H    ASN  30           HN       ASN  30   8.630   6.024  -9.031
  223    HA   ASN  30           HA       ASN  30   9.440   5.745 -11.141
  224    HB2  ASN  30           HB2      ASN  30  11.152   7.359 -10.020
  225    HB3  ASN  30           HB1      ASN  30  12.226   5.968 -10.016
  226   HD21  ASN  30          HD21      ASN  30  12.530   8.476 -11.421
  227   HD22  ASN  30          HD22      ASN  30  12.626   8.091 -13.104
  228    H    HIS  31           HN       HIS  31   8.978   3.419  -9.600
  229    HA   HIS  31           HA       HIS  31   9.281   1.184  -9.572
  230    HB2  HIS  31           HB2      HIS  31  10.443   1.883 -12.250
  231    HB3  HIS  31           HB1      HIS  31  10.448   0.218 -11.677
  232    HD1  HIS  31           HD1      HIS  31   8.252  -1.054 -11.726
  233    HD2  HIS  31           HD2      HIS  31   7.837   2.949 -12.773
  234    HE1  HIS  31           HE1      HIS  31   5.923  -0.829 -12.626
  235    HE2  HIS  31           HE2      HIS  31   5.755   1.554 -13.413
  236    H    ARG  32           HN       ARG  32  11.370   2.838  -8.268
  237    HA   ARG  32           HA       ARG  32  13.810   1.387  -8.462
  238    HB2  ARG  32           HB2      ARG  32  12.631   3.113  -6.284
  239    HB3  ARG  32           HB1      ARG  32  14.184   2.315  -6.096
  240    HG2  ARG  32           HG2      ARG  32  13.548   4.239  -8.324
  241    HG3  ARG  32           HG1      ARG  32  14.302   4.704  -6.800
  242    HD2  ARG  32           HD2      ARG  32  16.031   4.422  -8.411
  243    HD3  ARG  32           HD1      ARG  32  16.118   3.071  -7.285
  244    HE   ARG  32           HE       ARG  32  14.706   2.720  -9.831
  245   HH11  ARG  32          HH11      ARG  32  17.455   1.985  -7.787
  246   HH12  ARG  32          HH12      ARG  32  17.941   0.605  -8.721
  247   HH21  ARG  32          HH21      ARG  32  15.356   0.926 -11.074
  248   HH22  ARG  32          HH22      ARG  32  16.754   0.014 -10.602
  249    H    ALA  33           HN       ALA  33  10.802   0.891  -6.887
  250    HA   ALA  33           HA       ALA  33  11.700  -1.774  -6.042
  251    HB1  ALA  33           HB1      ALA  33  10.216  -1.634  -4.092
  252    HB2  ALA  33           HB2      ALA  33   9.802   0.025  -4.523
  253    HB3  ALA  33           HB3      ALA  33  11.450  -0.376  -4.039
  254    H    HIS  34           HN       HIS  34   9.832  -3.313  -5.944
  255    HA   HIS  34           HA       HIS  34   7.981  -2.658  -8.139
  256    HB2  HIS  34           HB2      HIS  34   9.495  -4.564  -8.571
  257    HB3  HIS  34           HB1      HIS  34   8.897  -5.368  -7.123
  258    HD1  HIS  34           HD1      HIS  34   7.808  -4.388 -10.607
  259    HD2  HIS  34           HD2      HIS  34   6.542  -6.769  -7.435
  260    HE1  HIS  34           HE1      HIS  34   5.883  -5.735 -11.494
  261    HE2  HIS  34           HE2      HIS  34   5.090  -7.119  -9.544
  262    H    THR  35           HN       THR  35   5.804  -2.881  -7.891
  263    HA   THR  35           HA       THR  35   4.910  -3.479  -5.154
  264    HB   THR  35           HB       THR  35   2.897  -2.090  -5.740
  265    HG1  THR  35           HG1      THR  35   3.186  -0.661  -7.557
  266   HG21  THR  35          HG21      THR  35   4.821  -1.239  -4.430
  267   HG22  THR  35          HG22      THR  35   4.022   0.023  -5.368
  268   HG23  THR  35          HG23      THR  35   5.550  -0.659  -5.927
  269    H    ASP  36           HN       ASP  36   3.141  -4.794  -4.825
  270    HA   ASP  36           HA       ASP  36   2.028  -6.171  -7.160
  271    HB2  ASP  36           HB2      ASP  36   3.899  -7.560  -6.361
  272    HB3  ASP  36           HB1      ASP  36   3.219  -7.553  -4.737
  273    H    VAL  37           HN       VAL  37  -0.072  -6.863  -6.903
  274    HA   VAL  37           HA       VAL  37  -1.410  -5.715  -4.562
  275    HB   VAL  37           HB       VAL  37  -2.557  -6.496  -7.247
  276   HG11  VAL  37          HG11      VAL  37  -3.851  -5.168  -4.869
  277   HG12  VAL  37          HG12      VAL  37  -4.224  -6.765  -5.518
  278   HG13  VAL  37          HG13      VAL  37  -4.585  -5.321  -6.464
  279   HG21  VAL  37          HG21      VAL  37  -1.121  -4.530  -7.371
  280   HG22  VAL  37          HG22      VAL  37  -2.017  -3.779  -6.051
  281   HG23  VAL  37          HG23      VAL  37  -2.813  -4.087  -7.594
  282    H    VAL  38           HN       VAL  38  -1.658  -7.156  -3.012
  283    HA   VAL  38           HA       VAL  38  -2.308  -9.920  -3.526
  284    HB   VAL  38           HB       VAL  38  -2.369  -8.378  -0.929
  285   HG11  VAL  38          HG11      VAL  38  -3.748 -10.369  -0.821
  286   HG12  VAL  38          HG12      VAL  38  -2.287 -10.578   0.143
  287   HG13  VAL  38          HG13      VAL  38  -2.416 -11.344  -1.439
  288   HG21  VAL  38          HG21      VAL  38  -0.138  -8.397  -1.881
  289   HG22  VAL  38          HG22      VAL  38  -0.226 -10.146  -2.094
  290   HG23  VAL  38          HG23      VAL  38  -0.211  -9.455  -0.472
  291    H    GLY  39           HN       GLY  39  -4.284 -10.484  -4.171
  292    HA2  GLY  39           HA2      GLY  39  -6.515  -8.686  -3.784
  293    HA3  GLY  39           HA1      GLY  39  -6.522 -10.179  -4.713
  294    H    TYR  40           HN       TYR  40  -8.533  -9.303  -2.900
  295    HA   TYR  40           HA       TYR  40  -8.370 -10.528  -0.378
  296    HB2  TYR  40           HB2      TYR  40 -10.068  -8.829  -0.942
  297    HB3  TYR  40           HB1      TYR  40 -10.824  -9.960  -2.065
  298    HD1  TYR  40           HD1      TYR  40  -9.950  -9.550   1.538
  299    HD2  TYR  40           HD2      TYR  40 -12.525 -11.385  -1.315
  300    HE1  TYR  40           HE1      TYR  40 -11.348 -10.414   3.363
  301    HE2  TYR  40           HE2      TYR  40 -13.930 -12.249   0.509
  302    HH   TYR  40           HH       TYR  40 -13.725 -12.796   2.879
  303    H    GLY  41           HN       GLY  41  -8.400 -12.594   0.196
  304    HA2  GLY  41           HA2      GLY  41  -9.465 -14.551  -1.745
  305    HA3  GLY  41           HA1      GLY  41  -7.959 -14.818  -0.874
  306    H    GLY  42           HN       GLY  42 -11.160 -15.555  -0.967
  307    HA2  GLY  42           HA2      GLY  42 -12.581 -16.656   0.447
  308    HA3  GLY  42           HA1      GLY  42 -11.125 -17.208   1.257
  309    H    HIS  43           HN       HIS  43 -10.838 -16.607   3.303
  310    HA   HIS  43           HA       HIS  43 -11.933 -14.086   4.254
  311    HB2  HIS  43           HB2      HIS  43 -13.694 -15.863   4.642
  312    HB3  HIS  43           HB1      HIS  43 -12.550 -16.682   5.701
  313    HD1  HIS  43           HD1      HIS  43 -15.222 -14.278   5.750
  314    HD2  HIS  43           HD2      HIS  43 -11.780 -14.905   7.996
  315    HE1  HIS  43           HE1      HIS  43 -15.576 -13.015   7.890
  316    HE2  HIS  43           HE2      HIS  43 -13.438 -13.314   9.187
  317    H    GLY  44           HN       GLY  44 -10.314 -13.119   5.280
  318    HA2  GLY  44           HA2      GLY  44  -8.778 -13.169   7.178
  319    HA3  GLY  44           HA1      GLY  44  -8.371 -14.813   6.718
  320    H    HIS  45           HN       HIS  45  -8.653 -13.387   3.863
  321    HA   HIS  45           HA       HIS  45  -5.866 -12.421   3.835
  322    HB2  HIS  45           HB2      HIS  45  -7.472 -13.745   1.634
  323    HB3  HIS  45           HB1      HIS  45  -5.915 -12.971   1.373
  324    HD1  HIS  45           HD1      HIS  45  -3.919 -14.405   1.653
  325    HD2  HIS  45           HD2      HIS  45  -7.271 -16.030   3.502
  326    HE1  HIS  45           HE1      HIS  45  -3.214 -16.680   2.453
  327    HE2  HIS  45           HE2      HIS  45  -5.294 -17.694   3.449
  328    HA   PRO  46           HA       PRO  46  -8.467  -8.767   2.944
  329    HB2  PRO  46           HB2      PRO  46  -6.904  -6.974   4.232
  330    HB3  PRO  46           HB1      PRO  46  -8.062  -8.009   5.085
  331    HG2  PRO  46           HG2      PRO  46  -5.097  -8.305   4.802
  332    HG3  PRO  46           HG1      PRO  46  -6.121  -8.586   6.222
  333    HD2  PRO  46           HD2      PRO  46  -5.190 -10.579   4.590
  334    HD3  PRO  46           HD1      PRO  46  -6.673 -10.703   5.555
  335    H    THR  47           HN       THR  47  -8.268  -7.365   1.295
  336    HA   THR  47           HA       THR  47  -6.214  -7.566  -0.581
  337    HB   THR  47           HB       THR  47  -8.057  -5.194  -0.250
  338    HG1  THR  47           HG1      THR  47  -9.518  -6.450  -1.561
  339   HG21  THR  47          HG21      THR  47  -6.817  -6.472  -2.697
  340   HG22  THR  47          HG22      THR  47  -6.313  -4.951  -1.960
  341   HG23  THR  47          HG23      THR  47  -7.908  -5.088  -2.701
  342    H    GLN  48           HN       GLN  48  -4.331  -6.466  -0.880
  343    HA   GLN  48           HA       GLN  48  -3.679  -4.097   0.617
  344    HB2  GLN  48           HB2      GLN  48  -1.844  -5.113   1.912
  345    HB3  GLN  48           HB1      GLN  48  -3.407  -5.774   2.369
  346    HG2  GLN  48           HG2      GLN  48  -2.929  -7.707   0.850
  347    HG3  GLN  48           HG1      GLN  48  -1.296  -7.073   0.670
  348   HE21  GLN  48          HE21      GLN  48  -3.551  -8.649   2.776
  349   HE22  GLN  48          HE22      GLN  48  -2.409  -9.084   4.004
  350    H    VAL  49           HN       VAL  49  -1.577  -3.247   0.049
  351    HA   VAL  49           HA       VAL  49  -0.509  -4.480  -2.398
  352    HB   VAL  49           HB       VAL  49  -1.503  -2.321  -2.901
  353   HG11  VAL  49          HG11      VAL  49  -1.352  -1.253  -0.730
  354   HG12  VAL  49          HG12      VAL  49  -0.594  -0.242  -1.960
  355   HG13  VAL  49          HG13      VAL  49   0.406  -1.189  -0.859
  356   HG21  VAL  49          HG21      VAL  49   0.459  -2.971  -4.169
  357   HG22  VAL  49          HG22      VAL  49   1.510  -2.239  -2.958
  358   HG23  VAL  49          HG23      VAL  49   0.441  -1.224  -3.927
  359    H    ARG  50           HN       ARG  50   1.378  -5.363  -2.171
  360    HA   ARG  50           HA       ARG  50   3.116  -4.497   0.017
  361    HB2  ARG  50           HB2      ARG  50   4.342  -6.638  -0.431
  362    HB3  ARG  50           HB1      ARG  50   2.674  -6.845   0.078
  363    HG2  ARG  50           HG2      ARG  50   2.021  -7.219  -2.259
  364    HG3  ARG  50           HG1      ARG  50   3.712  -7.057  -2.738
  365    HD2  ARG  50           HD2      ARG  50   4.319  -8.989  -1.441
  366    HD3  ARG  50           HD1      ARG  50   2.692  -9.104  -0.776
  367    HE   ARG  50           HE       ARG  50   2.518  -9.248  -3.575
  368   HH11  ARG  50          HH11      ARG  50   3.730 -11.150  -0.885
  369   HH12  ARG  50          HH12      ARG  50   3.488 -12.664  -1.694
  370   HH21  ARG  50          HH21      ARG  50   2.207 -11.214  -4.626
  371   HH22  ARG  50          HH22      ARG  50   2.626 -12.704  -3.835
  372    H    ILE  51           HN       ILE  51   5.093  -3.694  -0.272
  373    HA   ILE  51           HA       ILE  51   5.984  -3.234  -3.038
  374    HB   ILE  51           HB       ILE  51   6.939  -1.743  -0.586
  375   HG12  ILE  51          HG12      ILE  51   4.751  -0.914  -2.508
  376   HG13  ILE  51          HG11      ILE  51   4.489  -1.446  -0.852
  377   HG21  ILE  51          HG21      ILE  51   8.375  -1.675  -2.581
  378   HG22  ILE  51          HG22      ILE  51   7.696  -0.092  -2.206
  379   HG23  ILE  51          HG23      ILE  51   7.021  -1.048  -3.523
  380   HD11  ILE  51          HD11      ILE  51   5.942   1.028  -1.747
  381   HD12  ILE  51          HD12      ILE  51   5.841   0.475  -0.079
  382   HD13  ILE  51          HD13      ILE  51   4.375   0.941  -0.942
  383    H    VAL  52           HN       VAL  52   7.562  -4.554  -3.633
  384    HA   VAL  52           HA       VAL  52   9.383  -5.591  -1.569
  385    HB   VAL  52           HB       VAL  52   8.583  -7.000  -4.128
  386   HG11  VAL  52          HG11      VAL  52  10.797  -7.618  -3.288
  387   HG12  VAL  52          HG12      VAL  52   9.654  -8.952  -3.145
  388   HG13  VAL  52          HG13      VAL  52  10.094  -8.014  -1.720
  389   HG21  VAL  52          HG21      VAL  52   6.664  -6.843  -2.640
  390   HG22  VAL  52          HG22      VAL  52   7.622  -7.497  -1.310
  391   HG23  VAL  52          HG23      VAL  52   7.258  -8.501  -2.714
  392    H    ALA  53           HN       ALA  53  11.513  -5.479  -1.931
  393    HA   ALA  53           HA       ALA  53  12.448  -4.505  -4.547
  394    HB1  ALA  53           HB1      ALA  53  13.527  -3.654  -1.857
  395    HB2  ALA  53           HB2      ALA  53  12.495  -2.671  -2.895
  396    HB3  ALA  53           HB3      ALA  53  14.113  -3.124  -3.435
  397    HA   PRO  54           HA       PRO  54  14.444  -8.541  -3.870
  398    HB2  PRO  54           HB2      PRO  54  15.416  -7.953  -6.613
  399    HB3  PRO  54           HB1      PRO  54  14.584  -9.389  -5.996
  400    HG2  PRO  54           HG2      PRO  54  13.322  -7.632  -7.562
  401    HG3  PRO  54           HG1      PRO  54  12.487  -8.423  -6.213
  402    HD2  PRO  54           HD2      PRO  54  13.592  -5.646  -6.393
  403    HD3  PRO  54           HD1      PRO  54  12.083  -6.212  -5.647
  404    H    HIS  55           HN       HIS  55  16.046  -8.021  -2.426
  405    HA   HIS  55           HA       HIS  55  18.556  -7.061  -3.564
  406    HB2  HIS  55           HB2      HIS  55  17.448  -5.076  -2.633
  407    HB3  HIS  55           HB1      HIS  55  17.273  -5.891  -1.086
  408    HD1  HIS  55           HD1      HIS  55  20.014  -4.600  -3.382
  409    HD2  HIS  55           HD2      HIS  55  19.373  -5.563   0.614
  410    HE1  HIS  55           HE1      HIS  55  22.058  -3.800  -2.149
  411    HE2  HIS  55           HE2      HIS  55  21.628  -4.347   0.273
  412    H    ALA  56           HN       ALA  56  18.852  -9.443  -3.321
  413    HA   ALA  56           HA       ALA  56  19.617 -10.223  -0.608
  414    HB1  ALA  56           HB1      ALA  56  18.558 -11.912  -2.027
  415    HB2  ALA  56           HB2      ALA  56  20.208 -12.380  -1.621
  416    HB3  ALA  56           HB3      ALA  56  19.844 -11.731  -3.219
  417    H    GLU  57           HN       GLU  57  20.776  -8.041  -2.229
  418    HA   GLU  57           HA       GLU  57  23.441  -8.878  -2.956
  419    HB2  GLU  57           HB2      GLU  57  22.309  -6.080  -2.878
  420    HB3  GLU  57           HB1      GLU  57  23.689  -6.649  -3.809
  421    HG2  GLU  57           HG2      GLU  57  22.318  -7.829  -5.315
  422    HG3  GLU  57           HG1      GLU  57  20.912  -7.697  -4.260
  423    H    HIS  58           HN       HIS  58  25.303  -8.367  -1.883
  424    HA   HIS  58           HA       HIS  58  24.959  -7.315   0.844
  425    HB2  HIS  58           HB2      HIS  58  27.053  -9.090  -0.399
  426    HB3  HIS  58           HB1      HIS  58  27.349  -8.257   1.120
  427    HD1  HIS  58           HD1      HIS  58  26.892  -9.677   3.076
  428    HD2  HIS  58           HD2      HIS  58  24.438 -10.665  -0.135
  429    HE1  HIS  58           HE1      HIS  58  25.472 -11.592   3.872
  430    HE2  HIS  58           HE2      HIS  58  23.905 -12.086   1.961
  431    H    VAL  59           HN       VAL  59  25.215  -5.742  -1.716
  432    HA   VAL  59           HA       VAL  59  27.528  -4.115  -0.898
  433    HB   VAL  59           HB       VAL  59  26.556  -4.408  -3.743
  434   HG11  VAL  59          HG11      VAL  59  28.688  -3.304  -4.295
  435   HG12  VAL  59          HG12      VAL  59  29.016  -3.116  -2.572
  436   HG13  VAL  59          HG13      VAL  59  27.640  -2.291  -3.303
  437   HG21  VAL  59          HG21      VAL  59  28.588  -5.736  -4.141
  438   HG22  VAL  59          HG22      VAL  59  27.489  -6.526  -3.010
  439   HG23  VAL  59          HG23      VAL  59  28.931  -5.707  -2.411
  440    H    ARG  60           HN       ARG  60  26.017  -2.908   0.400
  441    HA   ARG  60           HA       ARG  60  25.231  -0.522  -0.845
  442    HB2  ARG  60           HB2      ARG  60  23.342  -2.020  -1.624
  443    HB3  ARG  60           HB1      ARG  60  22.865  -2.172   0.062
  444    HG2  ARG  60           HG2      ARG  60  21.506  -0.504  -1.003
  445    HG3  ARG  60           HG1      ARG  60  22.574   0.277   0.162
  446    HD2  ARG  60           HD2      ARG  60  22.463   1.545  -1.926
  447    HD3  ARG  60           HD1      ARG  60  24.087   0.927  -1.640
  448    HE   ARG  60           HE       ARG  60  22.573  -0.857  -3.250
  449   HH11  ARG  60          HH11      ARG  60  24.333   2.170  -3.378
  450   HH12  ARG  60          HH12      ARG  60  24.706   2.021  -5.067
  451   HH21  ARG  60          HH21      ARG  60  23.058  -1.040  -5.471
  452   HH22  ARG  60          HH22      ARG  60  23.981   0.203  -6.250
  453    H    GLY  61           HN       GLY  61  24.103  -2.598   1.812
  454    HA2  GLY  61           HA2      GLY  61  25.321  -1.227   3.900
  455    HA3  GLY  61           HA1      GLY  61  23.751  -0.468   3.655
  456    H    TYR  62           HN       TYR  62  21.852  -1.877   3.731
  457    HA   TYR  62           HA       TYR  62  22.278  -4.152   5.541
  458    HB2  TYR  62           HB2      TYR  62  19.770  -2.571   4.900
  459    HB3  TYR  62           HB1      TYR  62  19.783  -4.027   5.892
  460    HD1  TYR  62           HD1      TYR  62  20.755  -0.487   5.726
  461    HD2  TYR  62           HD2      TYR  62  20.649  -3.979   8.162
  462    HE1  TYR  62           HE1      TYR  62  21.247   0.884   7.706
  463    HE2  TYR  62           HE2      TYR  62  21.142  -2.612  10.146
  464    HH   TYR  62           HH       TYR  62  20.895   0.741  10.180
  465    H    ALA  63           HN       ALA  63  21.956  -6.183   4.846
  466    HA   ALA  63           HA       ALA  63  21.283  -6.564   2.045
  467    HB1  ALA  63           HB1      ALA  63  22.186  -8.565   4.114
  468    HB2  ALA  63           HB2      ALA  63  23.234  -7.708   2.984
  469    HB3  ALA  63           HB3      ALA  63  22.040  -8.856   2.380
  470    H    HIS  64           HN       HIS  64  19.165  -5.693   3.656
  471    HA   HIS  64           HA       HIS  64  17.440  -8.072   3.795
  472    HB2  HIS  64           HB2      HIS  64  17.232  -5.441   5.286
  473    HB3  HIS  64           HB1      HIS  64  15.988  -6.690   5.305
  474    HD1  HIS  64           HD1      HIS  64  16.361  -8.701   6.807
  475    HD2  HIS  64           HD2      HIS  64  19.604  -6.109   6.700
  476    HE1  HIS  64           HE1      HIS  64  17.890  -9.457   8.652
  477    HE2  HIS  64           HE2      HIS  64  19.938  -8.006   8.423
  478    HA   PRO  65           HA       PRO  65  15.658  -6.136   0.145
  479    HB2  PRO  65           HB2      PRO  65  13.766  -8.384   0.393
  480    HB3  PRO  65           HB1      PRO  65  14.798  -7.932  -0.965
  481    HG2  PRO  65           HG2      PRO  65  15.316 -10.087   0.552
  482    HG3  PRO  65           HG1      PRO  65  16.608  -9.102  -0.156
  483    HD2  PRO  65           HD2      PRO  65  15.589  -9.166   2.652
  484    HD3  PRO  65           HD1      PRO  65  17.251  -8.979   2.054
  485    H    LEU  66           HN       LEU  66  14.182  -4.593   0.134
  486    HA   LEU  66           HA       LEU  66  12.603  -3.978   2.366
  487    HB2  LEU  66           HB2      LEU  66  13.476  -2.450   0.516
  488    HB3  LEU  66           HB1      LEU  66  12.119  -3.001  -0.442
  489    HG   LEU  66           HG       LEU  66  11.712  -1.710   2.245
  490   HD11  LEU  66          HD11      LEU  66  11.964  -0.365  -0.441
  491   HD12  LEU  66          HD12      LEU  66  13.036  -0.160   0.944
  492   HD13  LEU  66          HD13      LEU  66  11.368   0.405   1.029
  493   HD21  LEU  66          HD21      LEU  66   9.969  -1.948  -0.209
  494   HD22  LEU  66          HD22      LEU  66   9.525  -1.157   1.304
  495   HD23  LEU  66          HD23      LEU  66   9.807  -2.898   1.268
  496    H    ASN  67           HN       ASN  67  10.709  -4.729   3.007
  497    HA   ASN  67           HA       ASN  67   8.848  -5.893   1.072
  498    HB2  ASN  67           HB2      ASN  67  10.322  -7.724   2.015
  499    HB3  ASN  67           HB1      ASN  67   9.665  -7.349   3.602
  500   HD21  ASN  67          HD21      ASN  67   6.958  -6.941   2.841
  501   HD22  ASN  67          HD22      ASN  67   6.313  -8.467   2.353
  502    H    LEU  68           HN       LEU  68   7.469  -4.216   1.407
  503    HA   LEU  68           HA       LEU  68   6.494  -3.798   4.154
  504    HB2  LEU  68           HB2      LEU  68   7.486  -1.790   3.265
  505    HB3  LEU  68           HB1      LEU  68   6.583  -1.946   1.771
  506    HG   LEU  68           HG       LEU  68   4.484  -1.555   3.070
  507   HD11  LEU  68          HD11      LEU  68   6.423  -0.939   5.288
  508   HD12  LEU  68          HD12      LEU  68   5.207  -2.217   5.267
  509   HD13  LEU  68          HD13      LEU  68   4.710  -0.528   5.294
  510   HD21  LEU  68          HD21      LEU  68   5.525   0.239   1.828
  511   HD22  LEU  68          HD22      LEU  68   6.587   0.596   3.189
  512   HD23  LEU  68          HD23      LEU  68   4.849   0.855   3.334
  513    H    ALA  69           HN       ALA  69   4.466  -4.332   4.585
  514    HA   ALA  69           HA       ALA  69   2.611  -4.700   2.322
  515    HB1  ALA  69           HB1      ALA  69   1.364  -6.235   3.720
  516    HB2  ALA  69           HB2      ALA  69   2.433  -5.902   5.080
  517    HB3  ALA  69           HB3      ALA  69   3.057  -6.727   3.652
  518    H    LEU  70           HN       LEU  70   1.270  -3.070   2.070
  519    HA   LEU  70           HA       LEU  70   0.527  -1.415   4.365
  520    HB2  LEU  70           HB2      LEU  70   0.149  -1.027   1.389
  521    HB3  LEU  70           HB1      LEU  70  -0.408   0.103   2.608
  522    HG   LEU  70           HG       LEU  70   2.499  -0.638   2.263
  523   HD11  LEU  70          HD11      LEU  70   1.686   0.359   0.204
  524   HD12  LEU  70          HD12      LEU  70   2.743   1.474   1.069
  525   HD13  LEU  70          HD13      LEU  70   0.995   1.701   1.112
  526   HD21  LEU  70          HD21      LEU  70   2.838   1.485   3.482
  527   HD22  LEU  70          HD22      LEU  70   1.971   0.283   4.436
  528   HD23  LEU  70          HD23      LEU  70   1.094   1.618   3.686
  529    H    THR  71           HN       THR  71  -1.238  -2.074   5.417
  530    HA   THR  71           HA       THR  71  -3.509  -3.040   3.804
  531    HB   THR  71           HB       THR  71  -4.274  -4.274   5.815
  532    HG1  THR  71           HG1      THR  71  -1.985  -3.050   6.911
  533   HG21  THR  71          HG21      THR  71  -1.452  -4.926   4.952
  534   HG22  THR  71          HG22      THR  71  -2.942  -5.500   4.204
  535   HG23  THR  71          HG23      THR  71  -2.517  -6.019   5.834
  536    H    TRP  72           HN       TRP  72  -5.595  -2.293   4.409
  537    HA   TRP  72           HA       TRP  72  -5.565   0.083   6.141
  538    HB2  TRP  72           HB2      TRP  72  -6.874  -0.269   3.442
  539    HB3  TRP  72           HB1      TRP  72  -7.375   0.992   4.574
  540    HD1  TRP  72           HD1      TRP  72  -5.625   2.983   5.039
  541    HE1  TRP  72           HE1      TRP  72  -3.642   3.869   3.664
  542    HE3  TRP  72           HE3      TRP  72  -5.012  -0.971   1.853
  543    HZ2  TRP  72           HZ2      TRP  72  -2.036   3.014   1.509
  544    HZ3  TRP  72           HZ3      TRP  72  -3.228  -0.854   0.163
  545    HH2  TRP  72           HH2      TRP  72  -1.771   1.099   0.002
  546    H    ASN  73           HN       ASN  73  -7.434   0.555   7.264
  547    HA   ASN  73           HA       ASN  73  -8.758  -1.617   8.402
  548    HB2  ASN  73           HB2      ASN  73  -9.296   1.345   8.403
  549    HB3  ASN  73           HB1      ASN  73 -10.339   0.222   9.272
  550   HD21  ASN  73          HD21      ASN  73  -8.494   2.366  10.227
  551   HD22  ASN  73          HD22      ASN  73  -7.452   1.564  11.357
  552    H    THR  74           HN       THR  74 -10.484  -2.742   7.894
  553    HA   THR  74           HA       THR  74 -11.605  -2.696   5.342
  554    HB   THR  74           HB       THR  74 -12.826  -3.913   7.831
  555    HG1  THR  74           HG1      THR  74 -10.477  -4.398   6.789
  556   HG21  THR  74          HG21      THR  74 -14.324  -3.891   5.869
  557   HG22  THR  74          HG22      THR  74 -13.825  -5.526   6.302
  558   HG23  THR  74          HG23      THR  74 -13.081  -4.713   4.926
  559    H    ASP  75           HN       ASP  75 -12.576  -1.041   8.254
  560    HA   ASP  75           HA       ASP  75 -15.181  -0.305   7.361
  561    HB2  ASP  75           HB2      ASP  75 -13.370   0.854   9.478
  562    HB3  ASP  75           HB1      ASP  75 -14.978   1.492   9.140
  563    H    GLU  76           HN       GLU  76 -12.031   1.293   7.290
  564    HA   GLU  76           HA       GLU  76 -12.750   3.612   5.919
  565    HB2  GLU  76           HB2      GLU  76 -10.203   1.993   5.835
  566    HB3  GLU  76           HB1      GLU  76 -10.376   3.553   5.048
  567    HG2  GLU  76           HG2      GLU  76 -10.821   3.134   7.986
  568    HG3  GLU  76           HG1      GLU  76  -9.261   3.570   7.293
  569    H    ILE  77           HN       ILE  77 -11.861   0.410   4.666
  570    HA   ILE  77           HA       ILE  77 -12.050   0.956   1.947
  571    HB   ILE  77           HB       ILE  77 -12.805  -1.622   3.336
  572   HG12  ILE  77          HG12      ILE  77 -10.137  -0.656   2.260
  573   HG13  ILE  77          HG11      ILE  77 -10.550  -0.903   3.955
  574   HG21  ILE  77          HG21      ILE  77 -12.334  -2.704   1.222
  575   HG22  ILE  77          HG22      ILE  77 -11.885  -1.161   0.499
  576   HG23  ILE  77          HG23      ILE  77 -13.552  -1.453   0.983
  577   HD11  ILE  77          HD11      ILE  77  -9.192  -2.726   3.118
  578   HD12  ILE  77          HD12      ILE  77 -10.371  -3.046   1.846
  579   HD13  ILE  77          HD13      ILE  77 -10.805  -3.303   3.535
  580    H    GLU  78           HN       GLU  78 -14.633  -0.140   4.160
  581    HA   GLU  78           HA       GLU  78 -16.707  -0.131   2.232
  582    HB2  GLU  78           HB2      GLU  78 -16.799  -1.261   4.466
  583    HB3  GLU  78           HB1      GLU  78 -16.933   0.321   5.217
  584    HG2  GLU  78           HG2      GLU  78 -19.105  -0.648   5.107
  585    HG3  GLU  78           HG1      GLU  78 -19.037   0.685   3.957
  586    H    ARG  79           HN       ARG  79 -15.385   2.310   4.350
  587    HA   ARG  79           HA       ARG  79 -17.168   4.398   3.997
  588    HB2  ARG  79           HB2      ARG  79 -15.348   4.385   5.623
  589    HB3  ARG  79           HB1      ARG  79 -14.166   4.442   4.329
  590    HG2  ARG  79           HG2      ARG  79 -14.976   6.680   3.716
  591    HG3  ARG  79           HG1      ARG  79 -16.109   6.617   5.072
  592    HD2  ARG  79           HD2      ARG  79 -14.237   6.326   6.619
  593    HD3  ARG  79           HD1      ARG  79 -13.109   6.392   5.270
  594    HE   ARG  79           HE       ARG  79 -14.697   8.725   5.308
  595   HH11  ARG  79          HH11      ARG  79 -12.090   7.143   7.033
  596   HH12  ARG  79          HH12      ARG  79 -11.395   8.634   7.602
  597   HH21  ARG  79          HH21      ARG  79 -13.799  10.693   6.078
  598   HH22  ARG  79          HH22      ARG  79 -12.365  10.651   7.059
  599    H    LEU  80           HN       LEU  80 -14.753   3.144   1.810
  600    HA   LEU  80           HA       LEU  80 -14.613   5.448   0.134
  601    HB2  LEU  80           HB2      LEU  80 -13.862   2.583  -0.433
  602    HB3  LEU  80           HB1      LEU  80 -13.471   3.947  -1.463
  603    HG   LEU  80           HG       LEU  80 -12.459   3.473   1.342
  604   HD11  LEU  80          HD11      LEU  80 -10.280   3.275   0.240
  605   HD12  LEU  80          HD12      LEU  80 -11.066   3.432  -1.330
  606   HD13  LEU  80          HD13      LEU  80 -11.411   2.038  -0.306
  607   HD21  LEU  80          HD21      LEU  80 -11.942   5.764  -0.552
  608   HD22  LEU  80          HD22      LEU  80 -11.040   5.458   0.930
  609   HD23  LEU  80          HD23      LEU  80 -12.757   5.847   1.009
  610    H    MET  81           HN       MET  81 -17.015   3.125   0.543
  611    HA   MET  81           HA       MET  81 -18.014   3.130  -2.145
  612    HB2  MET  81           HB2      MET  81 -19.200   2.305   0.497
  613    HB3  MET  81           HB1      MET  81 -20.153   2.300  -0.980
  614    HG2  MET  81           HG2      MET  81 -17.606   0.752  -0.536
  615    HG3  MET  81           HG1      MET  81 -19.246   0.093  -0.457
  616    HE1  MET  81           HE1      MET  81 -20.461   0.463  -4.152
  617    HE2  MET  81           HE2      MET  81 -20.650   1.685  -2.897
  618    HE3  MET  81           HE3      MET  81 -20.882  -0.018  -2.508
  619    H    GLU  82           HN       GLU  82 -18.129   5.284   0.485
  620    HA   GLU  82           HA       GLU  82 -20.411   6.764  -0.539
  621    HB2  GLU  82           HB2      GLU  82 -18.480   7.351   1.727
  622    HB3  GLU  82           HB1      GLU  82 -19.880   8.337   1.331
  623    HG2  GLU  82           HG2      GLU  82 -19.950   5.462   2.214
  624    HG3  GLU  82           HG1      GLU  82 -20.289   6.858   3.226
  625    H    ALA  83           HN       ALA  83 -20.221   8.889  -1.394
  626    HA   ALA  83           HA       ALA  83 -18.048   9.296  -3.142
  627    HB1  ALA  83           HB1      ALA  83 -19.071  11.462  -3.625
  628    HB2  ALA  83           HB2      ALA  83 -20.123  11.286  -2.220
  629    HB3  ALA  83           HB3      ALA  83 -20.284  10.183  -3.586
  630    H    ASP  84           HN       ASP  84 -18.779  10.495   0.070
  631    HA   ASP  84           HA       ASP  84 -16.708  12.402   0.266
  632    HB2  ASP  84           HB2      ASP  84 -17.977  10.727   2.451
  633    HB3  ASP  84           HB1      ASP  84 -16.913  12.099   2.731
  634    H    GLY  85           HN       GLY  85 -16.752   8.965   0.385
  635    HA2  GLY  85           HA2      GLY  85 -14.224   8.657   1.716
  636    HA3  GLY  85           HA1      GLY  85 -15.150   7.395   0.907
  637    H    ALA  86           HN       ALA  86 -15.352   8.224  -1.659
  638    HA   ALA  86           HA       ALA  86 -12.909   7.859  -2.858
  639    HB1  ALA  86           HB1      ALA  86 -15.061   7.669  -4.012
  640    HB2  ALA  86           HB2      ALA  86 -13.925   8.684  -4.900
  641    HB3  ALA  86           HB3      ALA  86 -15.227   9.425  -3.971
  642    H    ALA  87           HN       ALA  87 -14.450  10.903  -1.924
  643    HA   ALA  87           HA       ALA  87 -12.495  12.635  -3.003
  644    HB1  ALA  87           HB1      ALA  87 -14.717  13.398  -2.296
  645    HB2  ALA  87           HB2      ALA  87 -13.434  14.325  -1.523
  646    HB3  ALA  87           HB3      ALA  87 -14.287  13.077  -0.617
  647    H    ARG  88           HN       ARG  88 -12.730  10.841  -0.027
  648    HA   ARG  88           HA       ARG  88 -10.590  12.080   1.368
  649    HB2  ARG  88           HB2      ARG  88 -12.371  10.647   2.404
  650    HB3  ARG  88           HB1      ARG  88 -11.634   9.250   1.634
  651    HG2  ARG  88           HG2      ARG  88 -10.680   9.083   3.680
  652    HG3  ARG  88           HG1      ARG  88  -9.495  10.138   2.909
  653    HD2  ARG  88           HD2      ARG  88 -11.773  10.992   4.687
  654    HD3  ARG  88           HD1      ARG  88 -10.067  10.960   5.115
  655    HE   ARG  88           HE       ARG  88 -11.137  12.727   3.007
  656   HH11  ARG  88          HH11      ARG  88  -9.200  12.167   5.866
  657   HH12  ARG  88          HH12      ARG  88  -8.573  13.783   5.917
  658   HH21  ARG  88          HH21      ARG  88 -10.307  14.867   3.062
  659   HH22  ARG  88          HH22      ARG  88  -9.200  15.318   4.320
  660    H    PHE  89           HN       PHE  89 -10.877   9.411  -0.881
  661    HA   PHE  89           HA       PHE  89  -8.253   8.402  -0.624
  662    HB2  PHE  89           HB2      PHE  89 -10.203   7.184  -1.640
  663    HB3  PHE  89           HB1      PHE  89 -10.058   8.233  -3.048
  664    HD1  PHE  89           HD2      PHE  89  -8.125   5.788  -1.007
  665    HD2  PHE  89           HD1      PHE  89  -8.681   7.621  -4.812
  666    HE1  PHE  89           HE2      PHE  89  -6.482   4.253  -1.985
  667    HE2  PHE  89           HE1      PHE  89  -7.036   6.086  -5.791
  668    HZ   PHE  89           HZ       PHE  89  -5.992   4.341  -4.390
  669    H    GLU  90           HN       GLU  90  -9.698  10.869  -2.711
  670    HA   GLU  90           HA       GLU  90  -7.459  11.320  -4.364
  671    HB2  GLU  90           HB2      GLU  90  -9.669  13.188  -3.479
  672    HB3  GLU  90           HB1      GLU  90  -8.472  13.609  -4.693
  673    HG2  GLU  90           HG2      GLU  90 -10.440  11.335  -4.898
  674    HG3  GLU  90           HG1      GLU  90 -10.600  12.908  -5.677
  675    H    ARG  91           HN       ARG  91  -8.475  12.733  -1.298
  676    HA   ARG  91           HA       ARG  91  -6.382  14.591  -1.009
  677    HB2  ARG  91           HB2      ARG  91  -8.433  14.685   0.321
  678    HB3  ARG  91           HB1      ARG  91  -8.032  13.156   1.085
  679    HG2  ARG  91           HG2      ARG  91  -7.549  14.928   2.610
  680    HG3  ARG  91           HG1      ARG  91  -6.027  14.224   2.063
  681    HD2  ARG  91           HD2      ARG  91  -5.780  16.058   0.445
  682    HD3  ARG  91           HD1      ARG  91  -7.275  16.771   1.047
  683    HE   ARG  91           HE       ARG  91  -5.471  16.362   3.191
  684   HH11  ARG  91          HH11      ARG  91  -6.020  18.431   0.412
  685   HH12  ARG  91          HH12      ARG  91  -5.150  19.773   1.078
  686   HH21  ARG  91          HH21      ARG  91  -4.337  18.138   4.071
  687   HH22  ARG  91          HH22      ARG  91  -4.194  19.608   3.164
  688    H    TYR  92           HN       TYR  92  -6.607  11.177  -0.386
  689    HA   TYR  92           HA       TYR  92  -4.272  11.014   1.274
  690    HB2  TYR  92           HB2      TYR  92  -6.227   9.402   1.320
  691    HB3  TYR  92           HB1      TYR  92  -5.660   8.781  -0.225
  692    HD1  TYR  92           HD1      TYR  92  -4.618   9.258   3.318
  693    HD2  TYR  92           HD2      TYR  92  -4.049   7.090  -0.300
  694    HE1  TYR  92           HE1      TYR  92  -3.109   7.709   4.491
  695    HE2  TYR  92           HE2      TYR  92  -2.539   5.537   0.863
  696    HH   TYR  92           HH       TYR  92  -2.243   5.442   4.255
  697    H    LEU  93           HN       LEU  93  -5.016  10.646  -2.134
  698    HA   LEU  93           HA       LEU  93  -2.551   9.512  -2.925
  699    HB2  LEU  93           HB2      LEU  93  -4.506  11.180  -4.514
  700    HB3  LEU  93           HB1      LEU  93  -3.175  10.269  -5.204
  701    HG   LEU  93           HG       LEU  93  -5.539   9.088  -3.741
  702   HD11  LEU  93          HD11      LEU  93  -6.139  10.008  -5.912
  703   HD12  LEU  93          HD12      LEU  93  -6.193   8.245  -5.930
  704   HD13  LEU  93          HD13      LEU  93  -4.834   9.093  -6.667
  705   HD21  LEU  93          HD21      LEU  93  -3.192   7.790  -5.123
  706   HD22  LEU  93          HD22      LEU  93  -4.647   6.937  -4.610
  707   HD23  LEU  93          HD23      LEU  93  -3.604   7.696  -3.410
  708    H    ALA  94           HN       ALA  94  -3.698  12.830  -2.658
  709    HA   ALA  94           HA       ALA  94  -1.396  14.075  -3.704
  710    HB1  ALA  94           HB1      ALA  94  -3.518  15.247  -3.458
  711    HB2  ALA  94           HB2      ALA  94  -2.230  16.101  -2.610
  712    HB3  ALA  94           HB3      ALA  94  -3.390  15.131  -1.703
  713    H    ALA  95           HN       ALA  95  -1.939  12.432  -0.778
  714    HA   ALA  95           HA       ALA  95   0.220  13.835   0.613
  715    HB1  ALA  95           HB1      ALA  95  -0.573  12.669   2.610
  716    HB2  ALA  95           HB2      ALA  95  -1.782  11.834   1.638
  717    HB3  ALA  95           HB3      ALA  95  -1.865  13.584   1.836
  718    H    LEU  96           HN       LEU  96   0.063  11.380  -1.488
  719    HA   LEU  96           HA       LEU  96   1.208   9.158  -0.336
  720    HB2  LEU  96           HB2      LEU  96   1.651  10.281  -3.093
  721    HB3  LEU  96           HB1      LEU  96   2.275   8.730  -2.581
  722    HG   LEU  96           HG       LEU  96  -0.640   9.477  -2.672
  723   HD11  LEU  96          HD11      LEU  96  -0.763   7.983  -4.591
  724   HD12  LEU  96          HD12      LEU  96   0.978   7.718  -4.504
  725   HD13  LEU  96          HD13      LEU  96   0.349   9.318  -4.897
  726   HD21  LEU  96          HD21      LEU  96  -0.981   7.034  -2.370
  727   HD22  LEU  96          HD22      LEU  96  -0.261   7.824  -0.969
  728   HD23  LEU  96          HD23      LEU  96   0.748   6.873  -2.060
  729    HA   PRO  97           HA       PRO  97   5.698  10.941  -1.202
  730    HB2  PRO  97           HB2      PRO  97   5.774  13.700  -0.925
  731    HB3  PRO  97           HB1      PRO  97   5.829  12.828  -2.459
  732    HG2  PRO  97           HG2      PRO  97   3.501  14.120  -1.096
  733    HG3  PRO  97           HG1      PRO  97   3.918  14.091  -2.820
  734    HD2  PRO  97           HD2      PRO  97   2.003  12.513  -1.836
  735    HD3  PRO  97           HD1      PRO  97   3.106  11.932  -3.103
  736    H    ARG  98           HN       ARG  98   3.423  12.596   0.939
  737    HA   ARG  98           HA       ARG  98   5.428  13.041   2.968
  738    HB2  ARG  98           HB2      ARG  98   3.628  14.655   2.715
  739    HB3  ARG  98           HB1      ARG  98   2.432  13.412   3.057
  740    HG2  ARG  98           HG2      ARG  98   3.208  13.207   5.314
  741    HG3  ARG  98           HG1      ARG  98   4.558  14.295   4.992
  742    HD2  ARG  98           HD2      ARG  98   2.999  16.118   4.573
  743    HD3  ARG  98           HD1      ARG  98   1.638  15.032   4.858
  744    HE   ARG  98           HE       ARG  98   2.881  14.774   7.155
  745   HH11  ARG  98          HH11      ARG  98   2.359  17.696   5.304
  746   HH12  ARG  98          HH12      ARG  98   2.333  18.726   6.700
  747   HH21  ARG  98          HH21      ARG  98   2.858  16.114   8.987
  748   HH22  ARG  98          HH22      ARG  98   2.622  17.823   8.802
  749    H    LYS  99           HN       LYS  99   2.797  10.778   2.422
  750    HA   LYS  99           HA       LYS  99   2.942   9.549   4.994
  751    HB2  LYS  99           HB2      LYS  99   1.714   8.771   2.363
  752    HB3  LYS  99           HB1      LYS  99   1.730   7.654   3.713
  753    HG2  LYS  99           HG2      LYS  99   0.536  10.413   3.837
  754    HG3  LYS  99           HG1      LYS  99  -0.381   8.954   3.453
  755    HD2  LYS  99           HD2      LYS  99   0.370   7.998   5.633
  756    HD3  LYS  99           HD1      LYS  99   1.097   9.560   6.013
  757    HE2  LYS  99           HE2      LYS  99  -1.818   9.161   5.363
  758    HE3  LYS  99           HE1      LYS  99  -1.171   9.196   7.000
  759    HZ1  LYS  99           HZ1      LYS  99  -0.452  11.445   6.670
  760    HZ2  LYS  99           HZ2      LYS  99  -2.092  11.337   6.274
  761    HZ3  LYS  99           HZ3      LYS  99  -0.930  11.423   5.049
  762    H    LEU 100           HN       LEU 100   4.268   8.885   1.821
  763    HA   LEU 100           HA       LEU 100   5.506   6.447   2.335
  764    HB2  LEU 100           HB2      LEU 100   5.152   7.536   0.107
  765    HB3  LEU 100           HB1      LEU 100   6.461   8.634   0.490
  766    HG   LEU 100           HG       LEU 100   7.963   6.614   0.677
  767   HD11  LEU 100          HD11      LEU 100   5.579   5.273  -0.583
  768   HD12  LEU 100          HD12      LEU 100   6.314   4.883   0.972
  769   HD13  LEU 100          HD13      LEU 100   7.205   4.596  -0.521
  770   HD21  LEU 100          HD21      LEU 100   8.252   6.438  -1.731
  771   HD22  LEU 100          HD22      LEU 100   7.947   8.110  -1.258
  772   HD23  LEU 100          HD23      LEU 100   6.660   7.148  -1.985
  773    H    ALA 101           HN       ALA 101   6.761   9.759   2.577
  774    HA   ALA 101           HA       ALA 101   9.359   9.059   3.416
  775    HB1  ALA 101           HB1      ALA 101   8.819  11.252   2.506
  776    HB2  ALA 101           HB2      ALA 101   9.567  11.394   4.097
  777    HB3  ALA 101           HB3      ALA 101   7.825  11.605   3.919
  778    H    ALA 102           HN       ALA 102   6.366   9.642   5.166
  779    HA   ALA 102           HA       ALA 102   7.457   9.771   7.758
  780    HB1  ALA 102           HB1      ALA 102   5.202  10.544   7.242
  781    HB2  ALA 102           HB2      ALA 102   5.178   9.345   8.533
  782    HB3  ALA 102           HB3      ALA 102   4.703   8.889   6.896
  783    H    TRP 103           HN       TRP 103   6.249   7.064   5.814
  784    HA   TRP 103           HA       TRP 103   6.524   5.115   7.852
  785    HB2  TRP 103           HB2      TRP 103   6.466   4.816   4.838
  786    HB3  TRP 103           HB1      TRP 103   6.444   3.458   5.961
  787    HD1  TRP 103           HD1      TRP 103   4.332   4.661   8.061
  788    HE1  TRP 103           HE1      TRP 103   1.855   4.831   7.383
  789    HE3  TRP 103           HE3      TRP 103   4.872   4.506   2.985
  790    HZ2  TRP 103           HZ2      TRP 103   0.336   4.886   5.010
  791    HZ3  TRP 103           HZ3      TRP 103   2.856   4.621   1.581
  792    HH2  TRP 103           HH2      TRP 103   0.635   4.807   2.576
  793    H    GLU 104           HN       GLU 104   8.723   6.361   5.403
  794    HA   GLU 104           HA       GLU 104  10.777   4.484   5.662
  795    HB2  GLU 104           HB2      GLU 104  11.032   7.452   5.136
  796    HB3  GLU 104           HB1      GLU 104  12.299   6.265   4.877
  797    HG2  GLU 104           HG2      GLU 104  10.703   5.133   3.257
  798    HG3  GLU 104           HG1      GLU 104   9.730   6.605   3.366
  799    H    ASN 105           HN       ASN 105  10.238   7.508   7.400
  800    HA   ASN 105           HA       ASN 105  12.610   7.239   8.967
  801    HB2  ASN 105           HB2      ASN 105  10.255   9.118   9.131
  802    HB3  ASN 105           HB1      ASN 105  11.643   9.218  10.209
  803   HD21  ASN 105          HD21      ASN 105  13.638   8.549   8.298
  804   HD22  ASN 105          HD22      ASN 105  13.766   9.875   7.193
  805    H    ALA 106           HN       ALA 106   9.182   6.586   9.536
  806    HA   ALA 106           HA       ALA 106   9.633   6.236  12.363
  807    HB1  ALA 106           HB1      ALA 106   7.243   5.857  12.517
  808    HB2  ALA 106           HB2      ALA 106   7.127   5.770  10.760
  809    HB3  ALA 106           HB3      ALA 106   7.576   7.287  11.539
  810    H    ARG 107           HN       ARG 107   9.605   4.136   9.600
  811    HA   ARG 107           HA       ARG 107   9.243   1.851  11.431
  812    HB2  ARG 107           HB2      ARG 107   8.676   1.872   8.469
  813    HB3  ARG 107           HB1      ARG 107   8.337   0.566   9.594
  814    HG2  ARG 107           HG2      ARG 107   7.021   3.275   9.503
  815    HG3  ARG 107           HG1      ARG 107   6.297   1.724   9.089
  816    HD2  ARG 107           HD2      ARG 107   7.223   2.598  11.831
  817    HD3  ARG 107           HD1      ARG 107   5.555   2.449  11.293
  818    HE   ARG 107           HE       ARG 107   7.189   0.039  11.176
  819   HH11  ARG 107          HH11      ARG 107   4.805   1.921  12.912
  820   HH12  ARG 107          HH12      ARG 107   4.248   0.580  13.858
  821   HH21  ARG 107          HH21      ARG 107   6.463  -1.730  12.428
  822   HH22  ARG 107          HH22      ARG 107   5.174  -1.501  13.565
  823    H    GLY 108           HN       GLY 108  11.593   3.407   9.674
  824    HA2  GLY 108           HA2      GLY 108  13.820   2.782   9.452
  825    HA3  GLY 108           HA1      GLY 108  13.393   1.189  10.064
  826    H    VAL 109           HN       VAL 109  12.134   2.947   7.284
  827    HA   VAL 109           HA       VAL 109  13.054   0.745   5.551
  828    HB   VAL 109           HB       VAL 109  10.473   2.319   5.333
  829   HG11  VAL 109          HG11      VAL 109  11.379   1.763   3.131
  830   HG12  VAL 109          HG12      VAL 109   9.908   0.854   3.474
  831   HG13  VAL 109          HG13      VAL 109  11.479   0.067   3.603
  832   HG21  VAL 109          HG21      VAL 109   9.358   0.191   5.775
  833   HG22  VAL 109          HG22      VAL 109  10.395   0.666   7.121
  834   HG23  VAL 109          HG23      VAL 109  10.925  -0.586   5.996
  835    H    ASP 110           HN       ASP 110  14.047   1.369   3.616
  836    HA   ASP 110           HA       ASP 110  13.955   4.233   2.967
  837    HB2  ASP 110           HB2      ASP 110  16.057   3.714   4.232
  838    HB3  ASP 110           HB1      ASP 110  16.512   2.613   2.929
  839    H    PHE 111           HN       PHE 111  13.002   4.301   1.062
  840    HA   PHE 111           HA       PHE 111  13.008   2.045  -0.706
  841    HB2  PHE 111           HB2      PHE 111  11.834   4.812  -0.972
  842    HB3  PHE 111           HB1      PHE 111  11.602   3.532  -2.157
  843    HD1  PHE 111           HD2      PHE 111  10.879   4.604   1.287
  844    HD2  PHE 111           HD1      PHE 111  10.068   1.749  -1.763
  845    HE1  PHE 111           HE2      PHE 111   8.965   3.766   2.583
  846    HE2  PHE 111           HE1      PHE 111   8.156   0.910  -0.472
  847    HZ   PHE 111           HZ       PHE 111   7.599   1.918   1.705
  848    H    GLY 112           HN       GLY 112  14.927   4.894  -0.431
  849    HA2  GLY 112           HA2      GLY 112  15.688   5.072  -3.185
  850    HA3  GLY 112           HA1      GLY 112  16.499   5.848  -1.831
  851    H    SER 113           HN       SER 113  17.010   3.491  -0.342
  852    HA   SER 113           HA       SER 113  19.269   2.484  -1.859
  853    HB2  SER 113           HB2      SER 113  19.868   1.409   0.351
  854    HB3  SER 113           HB1      SER 113  19.773   3.172   0.384
  855    HG   SER 113           HG       SER 113  17.727   3.011   1.317
  856    H    ARG 114           HN       ARG 114  16.098   1.603  -1.326
  857    HA   ARG 114           HA       ARG 114  14.873  -0.233  -1.883
  858    HB2  ARG 114           HB2      ARG 114  17.513  -1.143  -3.037
  859    HB3  ARG 114           HB1      ARG 114  16.025  -2.074  -3.178
  860    HG2  ARG 114           HG2      ARG 114  15.026  -0.471  -4.565
  861    HG3  ARG 114           HG1      ARG 114  16.221   0.760  -4.146
  862    HD2  ARG 114           HD2      ARG 114  16.505  -0.284  -6.416
  863    HD3  ARG 114           HD1      ARG 114  17.921  -0.355  -5.372
  864    HE   ARG 114           HE       ARG 114  16.092  -2.644  -5.727
  865   HH11  ARG 114          HH11      ARG 114  19.319  -1.293  -5.643
  866   HH12  ARG 114          HH12      ARG 114  20.106  -2.832  -5.745
  867   HH21  ARG 114          HH21      ARG 114  17.140  -4.684  -5.870
  868   HH22  ARG 114          HH22      ARG 114  18.878  -4.758  -5.864
  869    H    THR 115           HN       THR 115  16.217   0.044   0.688
  870    HA   THR 115           HA       THR 115  16.323  -2.785   1.456
  871    HB   THR 115           HB       THR 115  18.244  -2.354   2.933
  872    HG1  THR 115           HG1      THR 115  17.944   0.237   1.893
  873   HG21  THR 115          HG21      THR 115  19.977  -2.236   1.219
  874   HG22  THR 115          HG22      THR 115  18.795  -1.627   0.059
  875   HG23  THR 115          HG23      THR 115  18.644  -3.266   0.697
  876    H    GLN 116           HN       GLN 116  16.280  -3.022   3.883
  877    HA   GLN 116           HA       GLN 116  15.082  -0.787   5.300
  878    HB2  GLN 116           HB2      GLN 116  13.195  -2.129   6.109
  879    HB3  GLN 116           HB1      GLN 116  13.158  -1.991   4.358
  880    HG2  GLN 116           HG2      GLN 116  14.153  -4.243   4.193
  881    HG3  GLN 116           HG1      GLN 116  14.075  -4.374   5.950
  882   HE21  GLN 116          HE21      GLN 116  12.676  -6.121   5.913
  883   HE22  GLN 116          HE22      GLN 116  11.024  -5.978   5.431
  884    H    ALA 117           HN       ALA 117  15.234  -0.976   7.575
  885    HA   ALA 117           HA       ALA 117  17.485  -2.637   8.378
  886    HB1  ALA 117           HB1      ALA 117  17.475  -0.254   8.949
  887    HB2  ALA 117           HB2      ALA 117  17.512  -1.266  10.392
  888    HB3  ALA 117           HB3      ALA 117  16.009  -0.492   9.899
  889    H    ASP 118           HN       ASP 118  14.499  -3.413   8.011
  890    HA   ASP 118           HA       ASP 118  14.244  -4.861  10.563
  891    HB2  ASP 118           HB2      ASP 118  12.542  -2.962  10.058
  892    HB3  ASP 118           HB1      ASP 118  11.887  -4.072   8.856
  893    H    ALA 119           HN       ALA 119  13.051  -6.910  10.353
  894    HA   ALA 119           HA       ALA 119  13.960  -8.347   8.012
  895    HB1  ALA 119           HB1      ALA 119  13.236 -10.344   9.208
  896    HB2  ALA 119           HB2      ALA 119  12.473  -9.341  10.442
  897    HB3  ALA 119           HB3      ALA 119  14.225  -9.319  10.249
  898    H    LEU 120           HN       LEU 120  11.053  -6.913   9.157
  899    HA   LEU 120           HA       LEU 120   9.627  -7.427   6.786
  900    HB2  LEU 120           HB2      LEU 120   9.461  -9.694   7.824
  901    HB3  LEU 120           HB1      LEU 120   8.644  -8.972   9.190
  902    HG   LEU 120           HG       LEU 120   6.815  -8.254   7.680
  903   HD11  LEU 120          HD11      LEU 120   8.003  -8.121   5.592
  904   HD12  LEU 120          HD12      LEU 120   6.681  -9.278   5.446
  905   HD13  LEU 120          HD13      LEU 120   8.338  -9.851   5.635
  906   HD21  LEU 120          HD21      LEU 120   5.865 -10.496   7.357
  907   HD22  LEU 120          HD22      LEU 120   6.592 -10.296   8.949
  908   HD23  LEU 120          HD23      LEU 120   7.447 -11.198   7.697
  909    H    VAL 121           HN       VAL 121   8.319  -5.678   6.591
  910    HA   VAL 121           HA       VAL 121   7.315  -4.508   9.096
  911    HB   VAL 121           HB       VAL 121   8.946  -3.004   8.240
  912   HG11  VAL 121          HG11      VAL 121   9.040  -3.833   5.939
  913   HG12  VAL 121          HG12      VAL 121   8.934  -2.073   6.009
  914   HG13  VAL 121          HG13      VAL 121   7.510  -3.024   5.596
  915   HG21  VAL 121          HG21      VAL 121   7.623  -0.982   7.808
  916   HG22  VAL 121          HG22      VAL 121   6.970  -1.940   9.136
  917   HG23  VAL 121          HG23      VAL 121   6.196  -1.986   7.552
  918    H    LEU 122           HN       LEU 122   5.337  -5.305   9.209
  919    HA   LEU 122           HA       LEU 122   3.532  -4.989   6.912
  920    HB2  LEU 122           HB2      LEU 122   3.045  -6.551   9.450
  921    HB3  LEU 122           HB1      LEU 122   2.100  -6.610   7.978
  922    HG   LEU 122           HG       LEU 122   4.913  -7.651   8.334
  923   HD11  LEU 122          HD11      LEU 122   3.226  -9.042   9.397
  924   HD12  LEU 122          HD12      LEU 122   3.891  -9.836   7.970
  925   HD13  LEU 122          HD13      LEU 122   2.298  -9.084   7.896
  926   HD21  LEU 122          HD21      LEU 122   4.618  -6.768   6.091
  927   HD22  LEU 122          HD22      LEU 122   3.133  -7.702   5.903
  928   HD23  LEU 122          HD23      LEU 122   4.682  -8.529   6.065
  929    H    LEU 123           HN       LEU 123   2.467  -3.110   6.966
  930    HA   LEU 123           HA       LEU 123   1.891  -1.886   9.560
  931    HB2  LEU 123           HB2      LEU 123   1.616  -0.710   6.794
  932    HB3  LEU 123           HB1      LEU 123   1.453   0.156   8.310
  933    HG   LEU 123           HG       LEU 123   3.981  -1.061   7.209
  934   HD11  LEU 123          HD11      LEU 123   4.737   1.240   7.040
  935   HD12  LEU 123          HD12      LEU 123   3.190   1.811   7.666
  936   HD13  LEU 123          HD13      LEU 123   3.263   1.004   6.100
  937   HD21  LEU 123          HD21      LEU 123   3.907  -1.254   9.647
  938   HD22  LEU 123          HD22      LEU 123   3.549   0.470   9.771
  939   HD23  LEU 123          HD23      LEU 123   5.100  -0.067   9.125
  940    H    GLY 124           HN       GLY 124   0.048  -2.550  10.406
  941    HA2  GLY 124           HA2      GLY 124  -2.320  -2.786   8.678
  942    HA3  GLY 124           HA1      GLY 124  -2.150  -3.495  10.276
  943    H    GLY 125           HN       GLY 125  -4.406  -2.072   9.650
  944    HA2  GLY 125           HA2      GLY 125  -5.756  -0.553  10.714
  945    HA3  GLY 125           HA1      GLY 125  -4.426  -0.246  11.821
  946    H    LEU 126           HN       LEU 126  -3.875   0.225   8.423
  947    HA   LEU 126           HA       LEU 126  -3.336   2.987   8.838
  948    HB2  LEU 126           HB2      LEU 126  -3.248   1.151   6.512
  949    HB3  LEU 126           HB1      LEU 126  -3.427   2.862   6.162
  950    HG   LEU 126           HG       LEU 126  -1.357   3.324   7.425
  951   HD11  LEU 126          HD11      LEU 126  -1.061   0.331   7.578
  952   HD12  LEU 126          HD12      LEU 126  -1.495   1.372   8.935
  953   HD13  LEU 126          HD13      LEU 126   0.076   1.546   8.158
  954   HD21  LEU 126          HD21      LEU 126  -1.273   2.998   5.014
  955   HD22  LEU 126          HD22      LEU 126  -1.072   1.261   5.243
  956   HD23  LEU 126          HD23      LEU 126   0.186   2.372   5.784
  957    H    ASP 127           HN       ASP 127  -4.410   4.765   8.157
  958    HA   ASP 127           HA       ASP 127  -7.209   4.401   7.323
  959    HB2  ASP 127           HB2      ASP 127  -6.142   6.361   9.383
  960    HB3  ASP 127           HB1      ASP 127  -7.790   6.371   8.754
  961    H    PHE 128           HN       PHE 128  -8.086   6.570   6.463
  962    HA   PHE 128           HA       PHE 128  -6.047   7.563   4.609
  963    HB2  PHE 128           HB2      PHE 128  -9.065   7.628   4.462
  964    HB3  PHE 128           HB1      PHE 128  -8.004   8.361   3.264
  965    HD1  PHE 128           HD1      PHE 128  -6.498   6.913   1.906
  966    HD2  PHE 128           HD2      PHE 128  -9.494   5.297   4.463
  967    HE1  PHE 128           HE1      PHE 128  -6.332   4.758   0.732
  968    HE2  PHE 128           HE2      PHE 128  -9.331   3.139   3.296
  969    HZ   PHE 128           HZ       PHE 128  -7.748   2.864   1.428
  970    H    GLU 129           HN       GLU 129  -5.821   8.622   7.113
  971    HA   GLU 129           HA       GLU 129  -7.022  11.254   7.117
  972    HB2  GLU 129           HB2      GLU 129  -4.860  10.060   8.865
  973    HB3  GLU 129           HB1      GLU 129  -5.589  11.639   9.104
  974    HG2  GLU 129           HG2      GLU 129  -7.756  10.594   9.473
  975    HG3  GLU 129           HG1      GLU 129  -7.035   9.007   9.219
  976    H    ALA 130           HN       ALA 130  -6.175  13.030   6.233
  977    HA   ALA 130           HA       ALA 130  -3.335  13.218   5.705
  978    HB1  ALA 130           HB1      ALA 130  -3.726  13.790   3.300
  979    HB2  ALA 130           HB2      ALA 130  -5.375  13.191   3.489
  980    HB3  ALA 130           HB3      ALA 130  -4.009  12.098   3.707
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -26.042  -5.158   2.525
    2    H2   GLY   1           HT2      GLY   1 -27.163  -5.992   3.474
    3    H3   GLY   1           HT3      GLY   1 -25.716  -6.737   3.026
    4    HA2  GLY   1           HA1      GLY   1 -25.955  -4.369   4.792
    5    HA3  GLY   1           HA2      GLY   1 -25.655  -6.014   5.333
    6    H    ALA   2           HN       ALA   2 -23.805  -4.491   6.222
    7    HA   ALA   2           HA       ALA   2 -21.540  -4.831   4.380
    8    HB1  ALA   2           HB1      ALA   2 -22.208  -2.495   4.274
    9    HB2  ALA   2           HB2      ALA   2 -20.642  -2.655   5.070
   10    HB3  ALA   2           HB3      ALA   2 -22.093  -2.367   6.028
   11    H    MET   3           HN       MET   3 -22.738  -6.028   7.006
   12    HA   MET   3           HA       MET   3 -20.140  -6.166   8.379
   13    HB2  MET   3           HB2      MET   3 -21.756  -4.668   9.606
   14    HB3  MET   3           HB1      MET   3 -22.817  -6.059   9.789
   15    HG2  MET   3           HG2      MET   3 -21.513  -5.643  11.806
   16    HG3  MET   3           HG1      MET   3 -21.128  -7.211  11.099
   17    HE1  MET   3           HE1      MET   3 -18.935  -7.299  12.637
   18    HE2  MET   3           HE2      MET   3 -19.342  -5.717  13.304
   19    HE3  MET   3           HE3      MET   3 -17.723  -6.017  12.672
   20    H    GLY   4           HN       GLY   4 -19.576  -8.170   9.149
   21    HA2  GLY   4           HA2      GLY   4 -19.997 -10.422   9.780
   22    HA3  GLY   4           HA1      GLY   4 -21.534 -10.345   8.927
   23    H    MET   5           HN       MET   5 -20.987  -9.562   6.479
   24    HA   MET   5           HA       MET   5 -18.663 -10.961   5.446
   25    HB2  MET   5           HB2      MET   5 -20.545 -12.633   5.511
   26    HB3  MET   5           HB1      MET   5 -21.431 -11.595   4.403
   27    HG2  MET   5           HG2      MET   5 -19.584 -11.847   2.769
   28    HG3  MET   5           HG1      MET   5 -18.815 -12.988   3.865
   29    HE1  MET   5           HE1      MET   5 -21.768 -12.291   1.425
   30    HE2  MET   5           HE2      MET   5 -22.650 -12.506   2.936
   31    HE3  MET   5           HE3      MET   5 -22.800 -13.702   1.650
   32    H    SER   6           HN       SER   6 -17.723  -9.458   4.236
   33    HA   SER   6           HA       SER   6 -19.402  -7.850   2.439
   34    HB2  SER   6           HB2      SER   6 -17.723  -5.962   2.884
   35    HB3  SER   6           HB1      SER   6 -18.872  -6.322   4.173
   36    HG   SER   6           HG       SER   6 -16.250  -7.413   4.045
   37    HA   PRO   7           HA       PRO   7 -15.864  -9.833   0.239
   38    HB2  PRO   7           HB2      PRO   7 -17.229 -11.325  -1.526
   39    HB3  PRO   7           HB1      PRO   7 -16.965 -11.849   0.139
   40    HG2  PRO   7           HG2      PRO   7 -19.417 -10.776  -1.141
   41    HG3  PRO   7           HG1      PRO   7 -19.254 -11.945   0.179
   42    HD2  PRO   7           HD2      PRO   7 -19.837  -9.193   0.417
   43    HD3  PRO   7           HD1      PRO   7 -19.409 -10.296   1.735
   44    H    ASP   8           HN       ASP   8 -18.625  -8.064  -0.899
   45    HA   ASP   8           HA       ASP   8 -17.645  -7.778  -3.601
   46    HB2  ASP   8           HB2      ASP   8 -20.058  -7.813  -3.224
   47    HB3  ASP   8           HB1      ASP   8 -19.935  -6.389  -2.195
   48    H    THR   9           HN       THR   9 -17.819  -5.778  -0.694
   49    HA   THR   9           HA       THR   9 -16.746  -3.445  -1.879
   50    HB   THR   9           HB       THR   9 -16.715  -4.342   1.008
   51    HG1  THR   9           HG1      THR   9 -18.589  -3.139  -0.660
   52   HG21  THR   9          HG21      THR   9 -16.232  -1.605  -0.177
   53   HG22  THR   9          HG22      THR   9 -15.012  -2.631   0.578
   54   HG23  THR   9          HG23      THR   9 -16.338  -1.981   1.543
   55    H    ALA  10           HN       ALA  10 -15.300  -6.145  -0.084
   56    HA   ALA  10           HA       ALA  10 -12.643  -5.274  -0.189
   57    HB1  ALA  10           HB1      ALA  10 -13.412  -7.087   1.263
   58    HB2  ALA  10           HB2      ALA  10 -12.052  -7.593   0.261
   59    HB3  ALA  10           HB3      ALA  10 -13.689  -8.102  -0.152
   60    H    ARG  11           HN       ARG  11 -14.615  -7.121  -2.444
   61    HA   ARG  11           HA       ARG  11 -12.563  -7.734  -4.288
   62    HB2  ARG  11           HB2      ARG  11 -14.745  -8.890  -4.246
   63    HB3  ARG  11           HB1      ARG  11 -15.527  -7.412  -4.788
   64    HG2  ARG  11           HG2      ARG  11 -14.203  -7.507  -6.864
   65    HG3  ARG  11           HG1      ARG  11 -13.504  -9.033  -6.319
   66    HD2  ARG  11           HD2      ARG  11 -15.779  -9.993  -6.214
   67    HD3  ARG  11           HD1      ARG  11 -16.417  -8.481  -6.861
   68    HE   ARG  11           HE       ARG  11 -14.382  -9.561  -8.531
   69   HH11  ARG  11          HH11      ARG  11 -17.765  -9.844  -7.687
   70   HH12  ARG  11          HH12      ARG  11 -18.214 -10.561  -9.203
   71   HH21  ARG  11          HH21      ARG  11 -14.966 -10.496 -10.529
   72   HH22  ARG  11          HH22      ARG  11 -16.616 -10.938 -10.817
   73    H    ARG  12           HN       ARG  12 -14.814  -5.026  -3.986
   74    HA   ARG  12           HA       ARG  12 -14.170  -3.754  -6.402
   75    HB2  ARG  12           HB2      ARG  12 -16.131  -3.180  -4.953
   76    HB3  ARG  12           HB1      ARG  12 -15.016  -2.395  -3.842
   77    HG2  ARG  12           HG2      ARG  12 -14.322  -0.859  -5.604
   78    HG3  ARG  12           HG1      ARG  12 -15.437  -1.639  -6.722
   79    HD2  ARG  12           HD2      ARG  12 -17.317  -0.971  -5.292
   80    HD3  ARG  12           HD1      ARG  12 -16.188  -0.170  -4.197
   81    HE   ARG  12           HE       ARG  12 -15.764   0.826  -6.781
   82   HH11  ARG  12          HH11      ARG  12 -18.266   0.868  -4.320
   83   HH12  ARG  12          HH12      ARG  12 -18.880   2.417  -4.804
   84   HH21  ARG  12          HH21      ARG  12 -16.552   2.852  -7.398
   85   HH22  ARG  12          HH22      ARG  12 -17.899   3.554  -6.553
   86    H    PHE  13           HN       PHE  13 -12.775  -3.470  -3.156
   87    HA   PHE  13           HA       PHE  13 -10.949  -1.426  -3.780
   88    HB2  PHE  13           HB2      PHE  13 -11.472  -2.161  -1.456
   89    HB3  PHE  13           HB1      PHE  13 -10.591  -3.651  -1.755
   90    HD1  PHE  13           HD1      PHE  13 -10.255   0.004  -1.416
   91    HD2  PHE  13           HD2      PHE  13  -8.221  -3.725  -1.630
   92    HE1  PHE  13           HE1      PHE  13  -8.177   1.101  -0.693
   93    HE2  PHE  13           HE2      PHE  13  -6.143  -2.638  -0.905
   94    HZ   PHE  13           HZ       PHE  13  -6.101  -0.221  -0.475
   95    H    ASP  14           HN       ASP  14 -10.725  -4.932  -3.949
   96    HA   ASP  14           HA       ASP  14  -8.066  -5.223  -4.682
   97    HB2  ASP  14           HB2      ASP  14  -9.283  -7.149  -4.048
   98    HB3  ASP  14           HB1      ASP  14 -10.524  -6.860  -5.258
   99    H    THR  15           HN       THR  15 -10.842  -4.427  -6.698
  100    HA   THR  15           HA       THR  15  -9.136  -4.755  -9.065
  101    HB   THR  15           HB       THR  15 -11.224  -6.082  -9.018
  102    HG1  THR  15           HG1      THR  15 -11.731  -4.380 -11.135
  103   HG21  THR  15          HG21      THR  15 -12.718  -4.545  -7.880
  104   HG22  THR  15          HG22      THR  15 -13.369  -4.948  -9.468
  105   HG23  THR  15          HG23      THR  15 -12.581  -3.393  -9.208
  106    H    GLU  16           HN       GLU  16 -11.177  -2.362  -7.442
  107    HA   GLU  16           HA       GLU  16 -10.853  -0.528  -9.680
  108    HB2  GLU  16           HB2      GLU  16 -13.062  -0.843  -8.578
  109    HB3  GLU  16           HB1      GLU  16 -12.391  -0.164  -7.104
  110    HG2  GLU  16           HG2      GLU  16 -12.028   1.960  -8.208
  111    HG3  GLU  16           HG1      GLU  16 -12.608   1.291  -9.734
  112    H    PHE  17           HN       PHE  17  -9.907  -0.710  -6.251
  113    HA   PHE  17           HA       PHE  17  -8.727   1.961  -6.537
  114    HB2  PHE  17           HB2      PHE  17  -9.485   0.421  -4.053
  115    HB3  PHE  17           HB1      PHE  17  -8.700   1.995  -4.042
  116    HD1  PHE  17           HD1      PHE  17  -9.924   3.954  -5.088
  117    HD2  PHE  17           HD2      PHE  17 -11.811   0.227  -4.272
  118    HE1  PHE  17           HE1      PHE  17 -12.121   5.045  -5.218
  119    HE2  PHE  17           HE2      PHE  17 -14.012   1.314  -4.399
  120    HZ   PHE  17           HZ       PHE  17 -14.168   3.730  -4.855
  121    H    ALA  18           HN       ALA  18  -7.914  -1.280  -5.330
  122    HA   ALA  18           HA       ALA  18  -5.414  -0.744  -4.300
  123    HB1  ALA  18           HB1      ALA  18  -6.177  -3.292  -5.706
  124    HB2  ALA  18           HB2      ALA  18  -6.592  -2.884  -4.043
  125    HB3  ALA  18           HB3      ALA  18  -4.902  -3.081  -4.508
  126    HA   PRO  19           HA       PRO  19  -3.390  -1.648  -8.690
  127    HB2  PRO  19           HB2      PRO  19  -5.594  -0.534 -10.363
  128    HB3  PRO  19           HB1      PRO  19  -4.481  -1.869 -10.709
  129    HG2  PRO  19           HG2      PRO  19  -6.991  -2.382 -10.050
  130    HG3  PRO  19           HG1      PRO  19  -5.674  -3.371  -9.388
  131    HD2  PRO  19           HD2      PRO  19  -7.228  -1.167  -8.081
  132    HD3  PRO  19           HD1      PRO  19  -6.712  -2.729  -7.415
  133    H    ARG  20           HN       ARG  20  -5.596   1.008  -8.009
  134    HA   ARG  20           HA       ARG  20  -4.141   3.015  -9.409
  135    HB2  ARG  20           HB2      ARG  20  -6.056   3.321  -7.086
  136    HB3  ARG  20           HB1      ARG  20  -5.483   4.624  -8.115
  137    HG2  ARG  20           HG2      ARG  20  -6.574   3.543 -10.039
  138    HG3  ARG  20           HG1      ARG  20  -7.206   2.305  -8.954
  139    HD2  ARG  20           HD2      ARG  20  -8.313   4.114  -7.647
  140    HD3  ARG  20           HD1      ARG  20  -7.795   5.257  -8.885
  141    HE   ARG  20           HE       ARG  20  -9.241   3.041  -9.971
  142   HH11  ARG  20          HH11      ARG  20  -9.596   6.154  -8.410
  143   HH12  ARG  20          HH12      ARG  20 -11.191   6.427  -9.037
  144   HH21  ARG  20          HH21      ARG  20 -11.318   3.402 -10.812
  145   HH22  ARG  20          HH22      ARG  20 -12.172   4.856 -10.410
  146    H    ILE  21           HN       ILE  21  -4.169   1.826  -6.098
  147    HA   ILE  21           HA       ILE  21  -2.358   3.758  -5.063
  148    HB   ILE  21           HB       ILE  21  -2.927   0.978  -4.014
  149   HG12  ILE  21          HG12      ILE  21  -4.201   3.613  -3.231
  150   HG13  ILE  21          HG11      ILE  21  -4.963   2.416  -4.273
  151   HG21  ILE  21          HG21      ILE  21  -0.885   2.008  -3.104
  152   HG22  ILE  21          HG22      ILE  21  -2.136   1.832  -1.876
  153   HG23  ILE  21          HG23      ILE  21  -1.829   3.411  -2.600
  154   HD11  ILE  21          HD11      ILE  21  -4.215   2.064  -1.377
  155   HD12  ILE  21          HD12      ILE  21  -4.876   0.798  -2.409
  156   HD13  ILE  21          HD13      ILE  21  -5.839   2.227  -2.045
  157    H    ALA  22           HN       ALA  22  -2.023   0.454  -6.262
  158    HA   ALA  22           HA       ALA  22   0.682   0.077  -5.705
  159    HB1  ALA  22           HB1      ALA  22  -0.851  -1.728  -6.345
  160    HB2  ALA  22           HB2      ALA  22   0.603  -1.721  -7.343
  161    HB3  ALA  22           HB3      ALA  22  -0.910  -1.086  -7.986
  162    H    ARG  23           HN       ARG  23  -0.878   1.404  -8.601
  163    HA   ARG  23           HA       ARG  23   1.539   1.734 -10.055
  164    HB2  ARG  23           HB2      ARG  23  -1.166   3.039 -10.383
  165    HB3  ARG  23           HB1      ARG  23   0.166   3.246 -11.512
  166    HG2  ARG  23           HG2      ARG  23   0.165   0.799 -11.887
  167    HG3  ARG  23           HG1      ARG  23  -1.260   0.679 -10.853
  168    HD2  ARG  23           HD2      ARG  23  -1.919   0.722 -13.189
  169    HD3  ARG  23           HD1      ARG  23  -2.470   2.183 -12.371
  170    HE   ARG  23           HE       ARG  23  -0.064   2.887 -13.438
  171   HH11  ARG  23          HH11      ARG  23  -3.012   1.527 -14.753
  172   HH12  ARG  23          HH12      ARG  23  -2.792   2.242 -16.315
  173   HH21  ARG  23          HH21      ARG  23   0.214   3.847 -15.490
  174   HH22  ARG  23          HH22      ARG  23  -0.958   3.562 -16.736
  175    H    ALA  24           HN       ALA  24  -0.373   3.893  -8.008
  176    HA   ALA  24           HA       ALA  24   1.060   6.248  -8.531
  177    HB1  ALA  24           HB1      ALA  24   0.072   7.115  -6.485
  178    HB2  ALA  24           HB2      ALA  24  -0.389   5.483  -5.999
  179    HB3  ALA  24           HB3      ALA  24  -1.127   6.221  -7.421
  180    H    ILE  25           HN       ILE  25   1.439   3.827  -5.959
  181    HA   ILE  25           HA       ILE  25   3.616   5.050  -4.669
  182    HB   ILE  25           HB       ILE  25   2.876   2.118  -4.814
  183   HG12  ILE  25          HG12      ILE  25   1.127   3.536  -3.819
  184   HG13  ILE  25          HG11      ILE  25   1.860   2.490  -2.608
  185   HG21  ILE  25          HG21      ILE  25   4.720   3.511  -2.873
  186   HG22  ILE  25          HG22      ILE  25   5.228   2.454  -4.191
  187   HG23  ILE  25          HG23      ILE  25   4.277   1.804  -2.857
  188   HD11  ILE  25          HD11      ILE  25   3.261   4.407  -1.889
  189   HD12  ILE  25          HD12      ILE  25   1.530   4.656  -1.664
  190   HD13  ILE  25          HD13      ILE  25   2.362   5.429  -3.012
  191    H    ALA  26           HN       ALA  26   3.458   2.633  -7.248
  192    HA   ALA  26           HA       ALA  26   6.193   2.113  -7.493
  193    HB1  ALA  26           HB1      ALA  26   4.513   0.728  -8.567
  194    HB2  ALA  26           HB2      ALA  26   5.658   1.336  -9.763
  195    HB3  ALA  26           HB3      ALA  26   4.059   2.065  -9.622
  196    H    ASP  27           HN       ASP  27   4.170   4.623  -8.907
  197    HA   ASP  27           HA       ASP  27   6.184   5.675 -10.619
  198    HB2  ASP  27           HB2      ASP  27   3.782   6.029 -11.030
  199    HB3  ASP  27           HB1      ASP  27   3.679   6.999  -9.564
  200    H    LEU  28           HN       LEU  28   5.190   6.325  -7.320
  201    HA   LEU  28           HA       LEU  28   6.573   8.782  -7.003
  202    HB2  LEU  28           HB2      LEU  28   5.853   6.722  -4.913
  203    HB3  LEU  28           HB1      LEU  28   6.377   8.358  -4.582
  204    HG   LEU  28           HG       LEU  28   3.811   7.566  -5.961
  205   HD11  LEU  28          HD11      LEU  28   3.820   7.099  -3.569
  206   HD12  LEU  28          HD12      LEU  28   2.742   8.441  -3.954
  207   HD13  LEU  28          HD13      LEU  28   4.324   8.757  -3.240
  208   HD21  LEU  28          HD21      LEU  28   4.907  10.284  -5.241
  209   HD22  LEU  28          HD22      LEU  28   3.259   9.970  -5.784
  210   HD23  LEU  28          HD23      LEU  28   4.620   9.658  -6.864
  211    H    LEU  29           HN       LEU  29   7.429   5.418  -6.568
  212    HA   LEU  29           HA       LEU  29  10.070   6.056  -5.557
  213    HB2  LEU  29           HB2      LEU  29   8.859   3.387  -6.293
  214    HB3  LEU  29           HB1      LEU  29  10.344   3.635  -5.394
  215    HG   LEU  29           HG       LEU  29   7.609   4.469  -4.435
  216   HD11  LEU  29          HD11      LEU  29   7.772   2.047  -4.578
  217   HD12  LEU  29          HD12      LEU  29   7.780   2.577  -2.895
  218   HD13  LEU  29          HD13      LEU  29   9.284   2.083  -3.672
  219   HD21  LEU  29          HD21      LEU  29   8.780   4.660  -2.250
  220   HD22  LEU  29          HD22      LEU  29   9.311   5.837  -3.449
  221   HD23  LEU  29          HD23      LEU  29  10.309   4.425  -3.098
  222    H    ASN  30           HN       ASN  30   8.932   6.470  -8.451
  223    HA   ASN  30           HA       ASN  30   9.694   6.447 -10.588
  224    HB2  ASN  30           HB2      ASN  30  12.315   6.347  -9.095
  225    HB3  ASN  30           HB1      ASN  30  12.227   6.494 -10.845
  226   HD21  ASN  30          HD21      ASN  30  11.743   8.097  -7.808
  227   HD22  ASN  30          HD22      ASN  30  11.472   9.675  -8.461
  228    H    HIS  31           HN       HIS  31   8.968   3.931  -9.399
  229    HA   HIS  31           HA       HIS  31   8.898   1.730  -9.884
  230    HB2  HIS  31           HB2      HIS  31  10.247   2.629 -12.434
  231    HB3  HIS  31           HB1      HIS  31   9.589   1.017 -12.172
  232    HD1  HIS  31           HD1      HIS  31   6.944   0.881 -11.851
  233    HD2  HIS  31           HD2      HIS  31   8.420   4.523 -13.212
  234    HE1  HIS  31           HE1      HIS  31   4.961   2.116 -12.771
  235    HE2  HIS  31           HE2      HIS  31   5.907   4.232 -13.744
  236    H    ARG  32           HN       ARG  32  11.400   2.922  -8.603
  237    HA   ARG  32           HA       ARG  32  13.483   1.096  -9.349
  238    HB2  ARG  32           HB2      ARG  32  13.200   2.769  -6.842
  239    HB3  ARG  32           HB1      ARG  32  14.664   1.946  -7.362
  240    HG2  ARG  32           HG2      ARG  32  13.283   4.225  -8.761
  241    HG3  ARG  32           HG1      ARG  32  14.814   4.290  -7.889
  242    HD2  ARG  32           HD2      ARG  32  15.809   2.766  -9.523
  243    HD3  ARG  32           HD1      ARG  32  14.273   2.686 -10.386
  244    HE   ARG  32           HE       ARG  32  15.684   5.245 -10.048
  245   HH11  ARG  32          HH11      ARG  32  14.299   2.795 -12.140
  246   HH12  ARG  32          HH12      ARG  32  14.432   3.767 -13.570
  247   HH21  ARG  32          HH21      ARG  32  15.853   6.520 -11.930
  248   HH22  ARG  32          HH22      ARG  32  15.309   5.883 -13.452
  249    H    ALA  33           HN       ALA  33  10.809   1.108  -7.199
  250    HA   ALA  33           HA       ALA  33  11.498  -1.620  -6.337
  251    HB1  ALA  33           HB1      ALA  33   9.723   0.388  -4.943
  252    HB2  ALA  33           HB2      ALA  33  11.349  -0.076  -4.442
  253    HB3  ALA  33           HB3      ALA  33  10.041  -1.259  -4.398
  254    H    HIS  34           HN       HIS  34   9.708  -3.134  -6.311
  255    HA   HIS  34           HA       HIS  34   7.760  -2.448  -8.404
  256    HB2  HIS  34           HB2      HIS  34   9.254  -4.345  -8.936
  257    HB3  HIS  34           HB1      HIS  34   8.712  -5.177  -7.481
  258    HD1  HIS  34           HD1      HIS  34   7.487  -4.112 -10.886
  259    HD2  HIS  34           HD2      HIS  34   6.315  -6.546  -7.724
  260    HE1  HIS  34           HE1      HIS  34   5.508  -5.410 -11.727
  261    HE2  HIS  34           HE2      HIS  34   4.740  -6.781  -9.760
  262    H    THR  35           HN       THR  35   5.620  -2.616  -8.052
  263    HA   THR  35           HA       THR  35   4.796  -3.326  -5.321
  264    HB   THR  35           HB       THR  35   2.814  -1.858  -5.773
  265    HG1  THR  35           HG1      THR  35   3.074  -0.372  -7.558
  266   HG21  THR  35          HG21      THR  35   4.815  -1.092  -4.526
  267   HG22  THR  35          HG22      THR  35   3.998   0.216  -5.382
  268   HG23  THR  35          HG23      THR  35   5.485  -0.476  -6.035
  269    H    ASP  36           HN       ASP  36   3.158  -4.758  -5.017
  270    HA   ASP  36           HA       ASP  36   1.777  -5.826  -7.368
  271    HB2  ASP  36           HB2      ASP  36   3.698  -7.306  -7.055
  272    HB3  ASP  36           HB1      ASP  36   3.299  -7.503  -5.354
  273    H    VAL  37           HN       VAL  37  -0.319  -6.095  -6.997
  274    HA   VAL  37           HA       VAL  37  -1.365  -5.438  -4.406
  275    HB   VAL  37           HB       VAL  37  -2.792  -6.267  -6.939
  276   HG11  VAL  37          HG11      VAL  37  -4.176  -6.741  -5.004
  277   HG12  VAL  37          HG12      VAL  37  -4.811  -5.343  -5.874
  278   HG13  VAL  37          HG13      VAL  37  -3.900  -5.114  -4.380
  279   HG21  VAL  37          HG21      VAL  37  -2.336  -3.543  -5.722
  280   HG22  VAL  37          HG22      VAL  37  -3.325  -3.877  -7.143
  281   HG23  VAL  37          HG23      VAL  37  -1.587  -4.170  -7.191
  282    H    VAL  38           HN       VAL  38  -2.024  -6.757  -2.874
  283    HA   VAL  38           HA       VAL  38  -1.915  -9.646  -3.331
  284    HB   VAL  38           HB       VAL  38  -2.247  -8.121  -0.736
  285   HG11  VAL  38          HG11      VAL  38  -3.163 -10.363  -0.613
  286   HG12  VAL  38          HG12      VAL  38  -1.680 -10.250   0.331
  287   HG13  VAL  38          HG13      VAL  38  -1.661 -11.031  -1.249
  288   HG21  VAL  38          HG21      VAL  38  -0.081  -7.658  -1.710
  289   HG22  VAL  38          HG22      VAL  38   0.209  -9.382  -1.943
  290   HG23  VAL  38          HG23      VAL  38   0.100  -8.719  -0.313
  291    H    GLY  39           HN       GLY  39  -3.739 -10.646  -3.825
  292    HA2  GLY  39           HA2      GLY  39  -6.231  -9.326  -3.875
  293    HA3  GLY  39           HA1      GLY  39  -5.968 -11.039  -4.159
  294    H    TYR  40           HN       TYR  40  -8.200 -10.035  -2.877
  295    HA   TYR  40           HA       TYR  40  -7.982 -10.086  -0.050
  296    HB2  TYR  40           HB2      TYR  40  -9.852  -8.955  -1.089
  297    HB3  TYR  40           HB1      TYR  40 -10.351 -10.439  -1.903
  298    HD1  TYR  40           HD1      TYR  40  -9.879  -8.995   1.508
  299    HD2  TYR  40           HD2      TYR  40 -11.975 -11.803  -0.915
  300    HE1  TYR  40           HE1      TYR  40 -11.359  -9.516   3.399
  301    HE2  TYR  40           HE2      TYR  40 -13.458 -12.329   0.977
  302    HH   TYR  40           HH       TYR  40 -13.597 -10.427   3.788
  303    H    GLY  41           HN       GLY  41  -7.979 -11.731   1.338
  304    HA2  GLY  41           HA2      GLY  41  -8.246 -14.452   0.285
  305    HA3  GLY  41           HA1      GLY  41  -7.581 -14.006   1.856
  306    H    GLY  42           HN       GLY  42 -10.097 -15.513   0.469
  307    HA2  GLY  42           HA2      GLY  42 -12.368 -14.271   1.625
  308    HA3  GLY  42           HA1      GLY  42 -12.309 -15.888   0.944
  309    H    HIS  43           HN       HIS  43 -10.045 -16.444   2.960
  310    HA   HIS  43           HA       HIS  43 -11.778 -17.507   4.990
  311    HB2  HIS  43           HB2      HIS  43  -9.755 -18.718   4.231
  312    HB3  HIS  43           HB1      HIS  43  -8.748 -17.438   4.901
  313    HD1  HIS  43           HD1      HIS  43 -11.022 -20.252   5.956
  314    HD2  HIS  43           HD2      HIS  43  -8.271 -17.618   7.630
  315    HE1  HIS  43           HE1      HIS  43 -10.609 -21.092   8.288
  316    HE2  HIS  43           HE2      HIS  43  -8.801 -19.599   9.205
  317    H    GLY  44           HN       GLY  44  -9.796 -14.680   4.635
  318    HA2  GLY  44           HA2      GLY  44 -10.841 -12.982   6.328
  319    HA3  GLY  44           HA1      GLY  44 -10.065 -14.050   7.483
  320    H    HIS  45           HN       HIS  45  -8.979 -12.800   4.323
  321    HA   HIS  45           HA       HIS  45  -6.801 -11.425   5.752
  322    HB2  HIS  45           HB2      HIS  45  -5.918 -13.463   4.656
  323    HB3  HIS  45           HB1      HIS  45  -6.534 -12.889   3.112
  324    HD1  HIS  45           HD1      HIS  45  -4.096 -11.733   5.796
  325    HD2  HIS  45           HD2      HIS  45  -4.718 -11.454   1.697
  326    HE1  HIS  45           HE1      HIS  45  -2.103 -10.500   4.894
  327    HE2  HIS  45           HE2      HIS  45  -2.390 -10.570   2.395
  328    HA   PRO  46           HA       PRO  46  -8.919  -8.065   3.590
  329    HB2  PRO  46           HB2      PRO  46  -6.745  -6.580   4.974
  330    HB3  PRO  46           HB1      PRO  46  -8.491  -6.275   4.964
  331    HG2  PRO  46           HG2      PRO  46  -7.303  -7.311   7.117
  332    HG3  PRO  46           HG1      PRO  46  -8.908  -7.871   6.605
  333    HD2  PRO  46           HD2      PRO  46  -6.239  -9.173   6.241
  334    HD3  PRO  46           HD1      PRO  46  -7.805  -9.903   6.647
  335    H    THR  47           HN       THR  47  -8.434  -6.955   1.760
  336    HA   THR  47           HA       THR  47  -6.235  -7.677   0.186
  337    HB   THR  47           HB       THR  47  -7.836  -5.146  -0.183
  338    HG1  THR  47           HG1      THR  47  -9.185  -6.843  -1.453
  339   HG21  THR  47          HG21      THR  47  -7.618  -5.730  -2.578
  340   HG22  THR  47          HG22      THR  47  -6.663  -7.142  -2.134
  341   HG23  THR  47          HG23      THR  47  -6.046  -5.523  -1.807
  342    H    GLN  48           HN       GLN  48  -4.362  -6.536  -0.386
  343    HA   GLN  48           HA       GLN  48  -3.686  -4.045   0.871
  344    HB2  GLN  48           HB2      GLN  48  -1.844  -4.838   2.235
  345    HB3  GLN  48           HB1      GLN  48  -3.330  -5.616   2.749
  346    HG2  GLN  48           HG2      GLN  48  -2.692  -7.639   1.536
  347    HG3  GLN  48           HG1      GLN  48  -1.198  -6.852   1.022
  348   HE21  GLN  48          HE21      GLN  48   0.126  -8.338   2.059
  349   HE22  GLN  48          HE22      GLN  48   0.272  -8.417   3.778
  350    H    VAL  49           HN       VAL  49  -1.389  -3.413   0.286
  351    HA   VAL  49           HA       VAL  49  -0.626  -4.753  -2.224
  352    HB   VAL  49           HB       VAL  49  -1.552  -2.548  -2.703
  353   HG11  VAL  49          HG11      VAL  49  -1.092  -1.436  -0.588
  354   HG12  VAL  49          HG12      VAL  49  -0.446  -0.502  -1.938
  355   HG13  VAL  49          HG13      VAL  49   0.637  -1.465  -0.933
  356   HG21  VAL  49          HG21      VAL  49   0.333  -1.625  -3.976
  357   HG22  VAL  49          HG22      VAL  49   0.230  -3.378  -4.134
  358   HG23  VAL  49          HG23      VAL  49   1.440  -2.658  -3.072
  359    H    ARG  50           HN       ARG  50   1.309  -5.621  -2.256
  360    HA   ARG  50           HA       ARG  50   3.190  -4.934  -0.129
  361    HB2  ARG  50           HB2      ARG  50   4.398  -6.988  -0.778
  362    HB3  ARG  50           HB1      ARG  50   2.723  -7.298  -0.346
  363    HG2  ARG  50           HG2      ARG  50   2.140  -7.431  -2.719
  364    HG3  ARG  50           HG1      ARG  50   3.825  -7.122  -3.140
  365    HD2  ARG  50           HD2      ARG  50   4.521  -9.172  -2.104
  366    HD3  ARG  50           HD1      ARG  50   2.901  -9.452  -1.469
  367    HE   ARG  50           HE       ARG  50   2.658  -9.255  -4.232
  368   HH11  ARG  50          HH11      ARG  50   4.254 -11.367  -1.929
  369   HH12  ARG  50          HH12      ARG  50   4.124 -12.768  -2.945
  370   HH21  ARG  50          HH21      ARG  50   2.517 -11.068  -5.563
  371   HH22  ARG  50          HH22      ARG  50   3.140 -12.598  -5.025
  372    H    ILE  51           HN       ILE  51   4.996  -3.884  -0.439
  373    HA   ILE  51           HA       ILE  51   5.814  -3.244  -3.192
  374    HB   ILE  51           HB       ILE  51   6.574  -1.755  -0.670
  375   HG12  ILE  51          HG12      ILE  51   4.427  -0.983  -2.654
  376   HG13  ILE  51          HG11      ILE  51   4.089  -1.768  -1.117
  377   HG21  ILE  51          HG21      ILE  51   6.690  -0.967  -3.582
  378   HG22  ILE  51          HG22      ILE  51   8.066  -1.456  -2.593
  379   HG23  ILE  51          HG23      ILE  51   7.192   0.030  -2.217
  380   HD11  ILE  51          HD11      ILE  51   3.767   0.683  -1.097
  381   HD12  ILE  51          HD12      ILE  51   5.496   0.874  -1.398
  382   HD13  ILE  51          HD13      ILE  51   4.937   0.111   0.089
  383    H    VAL  52           HN       VAL  52   7.526  -4.357  -3.847
  384    HA   VAL  52           HA       VAL  52   9.434  -5.327  -1.821
  385    HB   VAL  52           HB       VAL  52   8.793  -6.637  -4.475
  386   HG11  VAL  52          HG11      VAL  52  10.063  -8.525  -3.639
  387   HG12  VAL  52          HG12      VAL  52  10.368  -7.681  -2.122
  388   HG13  VAL  52          HG13      VAL  52  11.061  -7.071  -3.625
  389   HG21  VAL  52          HG21      VAL  52   6.863  -6.761  -2.986
  390   HG22  VAL  52          HG22      VAL  52   7.881  -7.432  -1.710
  391   HG23  VAL  52          HG23      VAL  52   7.607  -8.347  -3.193
  392    H    ALA  53           HN       ALA  53  11.521  -4.809  -2.090
  393    HA   ALA  53           HA       ALA  53  12.284  -3.520  -4.629
  394    HB1  ALA  53           HB1      ALA  53  13.454  -3.002  -1.897
  395    HB2  ALA  53           HB2      ALA  53  12.265  -1.979  -2.701
  396    HB3  ALA  53           HB3      ALA  53  13.874  -2.173  -3.396
  397    HA   PRO  54           HA       PRO  54  14.892  -7.248  -4.511
  398    HB2  PRO  54           HB2      PRO  54  15.269  -7.393  -7.200
  399    HB3  PRO  54           HB1      PRO  54  13.821  -8.020  -6.397
  400    HG2  PRO  54           HG2      PRO  54  14.210  -5.474  -7.903
  401    HG3  PRO  54           HG1      PRO  54  12.809  -6.559  -7.876
  402    HD2  PRO  54           HD2      PRO  54  12.968  -4.211  -6.461
  403    HD3  PRO  54           HD1      PRO  54  11.943  -5.582  -5.993
  404    H    HIS  55           HN       HIS  55  16.983  -7.072  -4.051
  405    HA   HIS  55           HA       HIS  55  18.610  -5.149  -5.563
  406    HB2  HIS  55           HB2      HIS  55  19.819  -4.541  -3.508
  407    HB3  HIS  55           HB1      HIS  55  18.111  -4.139  -3.393
  408    HD1  HIS  55           HD1      HIS  55  20.780  -6.033  -1.738
  409    HD2  HIS  55           HD2      HIS  55  16.628  -5.901  -1.665
  410    HE1  HIS  55           HE1      HIS  55  20.096  -7.267   0.344
  411    HE2  HIS  55           HE2      HIS  55  17.583  -7.373   0.232
  412    H    ALA  56           HN       ALA  56  18.206  -8.259  -4.315
  413    HA   ALA  56           HA       ALA  56  19.422 -10.165  -4.299
  414    HB1  ALA  56           HB1      ALA  56  21.064  -8.737  -6.383
  415    HB2  ALA  56           HB2      ALA  56  19.635  -9.727  -6.672
  416    HB3  ALA  56           HB3      ALA  56  21.108 -10.466  -6.046
  417    H    GLU  57           HN       GLU  57  22.169  -8.030  -4.930
  418    HA   GLU  57           HA       GLU  57  23.574  -9.211  -2.683
  419    HB2  GLU  57           HB2      GLU  57  24.683  -8.903  -4.888
  420    HB3  GLU  57           HB1      GLU  57  24.489  -7.166  -4.721
  421    HG2  GLU  57           HG2      GLU  57  26.760  -7.977  -4.187
  422    HG3  GLU  57           HG1      GLU  57  25.988  -7.107  -2.861
  423    H    HIS  58           HN       HIS  58  24.717  -7.818  -1.142
  424    HA   HIS  58           HA       HIS  58  23.504  -5.190  -0.722
  425    HB2  HIS  58           HB2      HIS  58  23.167  -5.712   1.716
  426    HB3  HIS  58           HB1      HIS  58  22.074  -6.555   0.630
  427    HD1  HIS  58           HD1      HIS  58  24.497  -7.111   3.319
  428    HD2  HIS  58           HD2      HIS  58  22.761  -9.364   0.282
  429    HE1  HIS  58           HE1      HIS  58  24.891  -9.518   3.939
  430    HE2  HIS  58           HE2      HIS  58  23.951 -10.852   2.021
  431    H    VAL  59           HN       VAL  59  25.772  -4.958  -1.631
  432    HA   VAL  59           HA       VAL  59  28.052  -5.498  -0.082
  433    HB   VAL  59           HB       VAL  59  27.647  -3.249  -2.068
  434   HG11  VAL  59          HG11      VAL  59  30.173  -4.472  -0.960
  435   HG12  VAL  59          HG12      VAL  59  29.571  -2.844  -0.642
  436   HG13  VAL  59          HG13      VAL  59  30.100  -3.288  -2.265
  437   HG21  VAL  59          HG21      VAL  59  28.799  -4.780  -3.641
  438   HG22  VAL  59          HG22      VAL  59  27.232  -5.386  -3.111
  439   HG23  VAL  59          HG23      VAL  59  28.712  -6.050  -2.420
  440    H    ARG  60           HN       ARG  60  28.287  -4.850   1.932
  441    HA   ARG  60           HA       ARG  60  28.369  -3.589   3.818
  442    HB2  ARG  60           HB2      ARG  60  28.278  -1.236   1.916
  443    HB3  ARG  60           HB1      ARG  60  28.706  -1.154   3.618
  444    HG2  ARG  60           HG2      ARG  60  30.674  -2.541   3.187
  445    HG3  ARG  60           HG1      ARG  60  30.235  -2.628   1.481
  446    HD2  ARG  60           HD2      ARG  60  31.011  -0.168   3.042
  447    HD3  ARG  60           HD1      ARG  60  31.924  -0.944   1.750
  448    HE   ARG  60           HE       ARG  60  29.585  -0.327   0.547
  449   HH11  ARG  60          HH11      ARG  60  31.879   1.536   2.416
  450   HH12  ARG  60          HH12      ARG  60  31.495   3.034   1.632
  451   HH21  ARG  60          HH21      ARG  60  29.070   1.634  -0.486
  452   HH22  ARG  60          HH22      ARG  60  29.894   3.090  -0.025
  453    H    GLY  61           HN       GLY  61  25.833  -4.402   2.572
  454    HA2  GLY  61           HA2      GLY  61  24.069  -2.372   3.802
  455    HA3  GLY  61           HA1      GLY  61  23.622  -3.270   2.357
  456    H    TYR  62           HN       TYR  62  22.012  -3.234   4.603
  457    HA   TYR  62           HA       TYR  62  22.500  -5.392   6.370
  458    HB2  TYR  62           HB2      TYR  62  19.852  -4.088   5.665
  459    HB3  TYR  62           HB1      TYR  62  20.155  -5.112   7.065
  460    HD1  TYR  62           HD2      TYR  62  21.816  -4.285   8.812
  461    HD2  TYR  62           HD1      TYR  62  20.235  -1.764   5.769
  462    HE1  TYR  62           HE2      TYR  62  22.441  -2.312  10.131
  463    HE2  TYR  62           HE1      TYR  62  20.857   0.216   7.087
  464    HH   TYR  62           HH       TYR  62  21.293   0.796   9.447
  465    H    ALA  63           HN       ALA  63  21.772  -7.489   6.357
  466    HA   ALA  63           HA       ALA  63  21.017  -8.582   3.782
  467    HB1  ALA  63           HB1      ALA  63  22.680  -9.732   5.161
  468    HB2  ALA  63           HB2      ALA  63  21.278 -10.756   4.855
  469    HB3  ALA  63           HB3      ALA  63  21.472  -9.971   6.422
  470    H    HIS  64           HN       HIS  64  19.080  -6.916   4.601
  471    HA   HIS  64           HA       HIS  64  16.891  -8.690   5.465
  472    HB2  HIS  64           HB2      HIS  64  17.367  -5.775   6.132
  473    HB3  HIS  64           HB1      HIS  64  15.799  -6.551   6.327
  474    HD1  HIS  64           HD1      HIS  64  15.606  -6.511   8.817
  475    HD2  HIS  64           HD2      HIS  64  19.227  -8.116   7.540
  476    HE1  HIS  64           HE1      HIS  64  16.714  -7.426  10.882
  477    HE2  HIS  64           HE2      HIS  64  18.969  -8.234  10.110
  478    HA   PRO  65           HA       PRO  65  15.574  -7.532   1.334
  479    HB2  PRO  65           HB2      PRO  65  13.366  -9.124   1.303
  480    HB3  PRO  65           HB1      PRO  65  14.995  -9.738   1.007
  481    HG2  PRO  65           HG2      PRO  65  13.355  -9.838   3.505
  482    HG3  PRO  65           HG1      PRO  65  14.392 -11.088   2.794
  483    HD2  PRO  65           HD2      PRO  65  15.173  -9.540   4.881
  484    HD3  PRO  65           HD1      PRO  65  16.311 -10.177   3.679
  485    H    LEU  66           HN       LEU  66  14.127  -6.014   0.616
  486    HA   LEU  66           HA       LEU  66  12.512  -4.747   2.664
  487    HB2  LEU  66           HB2      LEU  66  13.986  -3.488   1.051
  488    HB3  LEU  66           HB1      LEU  66  12.857  -3.923  -0.216
  489    HG   LEU  66           HG       LEU  66  11.890  -2.437   2.206
  490   HD11  LEU  66          HD11      LEU  66  12.289  -0.337   0.989
  491   HD12  LEU  66          HD12      LEU  66  13.186  -1.235  -0.237
  492   HD13  LEU  66          HD13      LEU  66  13.789  -1.157   1.419
  493   HD21  LEU  66          HD21      LEU  66  10.233  -3.349   0.654
  494   HD22  LEU  66          HD22      LEU  66  11.006  -2.494  -0.680
  495   HD23  LEU  66          HD23      LEU  66  10.236  -1.585   0.620
  496    H    ASN  67           HN       ASN  67  10.536  -5.376   3.012
  497    HA   ASN  67           HA       ASN  67   8.741  -5.953   0.792
  498    HB2  ASN  67           HB2      ASN  67   9.641  -8.159   1.539
  499    HB3  ASN  67           HB1      ASN  67   9.055  -7.821   3.166
  500   HD21  ASN  67          HD21      ASN  67   6.809  -7.811   3.545
  501   HD22  ASN  67          HD22      ASN  67   5.705  -8.583   2.458
  502    H    LEU  68           HN       LEU  68   7.351  -4.353   1.124
  503    HA   LEU  68           HA       LEU  68   6.460  -3.815   3.877
  504    HB2  LEU  68           HB2      LEU  68   7.532  -1.886   2.973
  505    HB3  LEU  68           HB1      LEU  68   6.692  -2.048   1.446
  506    HG   LEU  68           HG       LEU  68   4.587  -1.394   2.528
  507   HD11  LEU  68          HD11      LEU  68   5.003  -2.219   4.767
  508   HD12  LEU  68          HD12      LEU  68   4.630  -0.498   4.810
  509   HD13  LEU  68          HD13      LEU  68   6.297  -1.042   4.981
  510   HD21  LEU  68          HD21      LEU  68   6.158   0.276   1.534
  511   HD22  LEU  68          HD22      LEU  68   6.778   0.574   3.157
  512   HD23  LEU  68          HD23      LEU  68   5.092   0.924   2.779
  513    H    ALA  69           HN       ALA  69   4.427  -4.264   4.373
  514    HA   ALA  69           HA       ALA  69   2.520  -4.691   2.161
  515    HB1  ALA  69           HB1      ALA  69   3.018  -6.710   3.467
  516    HB2  ALA  69           HB2      ALA  69   1.329  -6.227   3.617
  517    HB3  ALA  69           HB3      ALA  69   2.462  -5.892   4.926
  518    H    LEU  70           HN       LEU  70   1.163  -3.072   1.941
  519    HA   LEU  70           HA       LEU  70   0.428  -1.450   4.272
  520    HB2  LEU  70           HB2      LEU  70   0.057  -0.969   1.309
  521    HB3  LEU  70           HB1      LEU  70  -0.449   0.141   2.567
  522    HG   LEU  70           HG       LEU  70   2.420  -0.668   2.057
  523   HD11  LEU  70          HD11      LEU  70   0.953   1.845   1.285
  524   HD12  LEU  70          HD12      LEU  70   1.489   0.579   0.180
  525   HD13  LEU  70          HD13      LEU  70   2.677   1.533   1.070
  526   HD21  LEU  70          HD21      LEU  70   2.063   0.017   4.344
  527   HD22  LEU  70          HD22      LEU  70   1.180   1.447   3.810
  528   HD23  LEU  70          HD23      LEU  70   2.904   1.299   3.473
  529    H    THR  71           HN       THR  71  -1.375  -2.095   5.279
  530    HA   THR  71           HA       THR  71  -3.705  -2.684   3.585
  531    HB   THR  71           HB       THR  71  -2.916  -4.802   4.582
  532    HG1  THR  71           HG1      THR  71  -5.105  -4.741   4.272
  533   HG21  THR  71          HG21      THR  71  -3.097  -5.169   7.000
  534   HG22  THR  71          HG22      THR  71  -3.485  -3.466   7.228
  535   HG23  THR  71          HG23      THR  71  -1.896  -3.933   6.624
  536    H    TRP  72           HN       TRP  72  -5.762  -2.100   4.540
  537    HA   TRP  72           HA       TRP  72  -5.442   0.130   6.435
  538    HB2  TRP  72           HB2      TRP  72  -7.056   0.062   3.877
  539    HB3  TRP  72           HB1      TRP  72  -7.224   1.319   5.104
  540    HD1  TRP  72           HD1      TRP  72  -5.308   3.146   5.261
  541    HE1  TRP  72           HE1      TRP  72  -3.375   3.793   3.696
  542    HE3  TRP  72           HE3      TRP  72  -5.346  -0.942   2.192
  543    HZ2  TRP  72           HZ2      TRP  72  -2.045   2.718   1.454
  544    HZ3  TRP  72           HZ3      TRP  72  -3.708  -1.053   0.357
  545    HH2  TRP  72           HH2      TRP  72  -2.094   0.743   0.001
  546    H    ASN  73           HN       ASN  73  -7.265   0.719   7.641
  547    HA   ASN  73           HA       ASN  73  -8.680  -1.402   8.793
  548    HB2  ASN  73           HB2      ASN  73  -9.068   1.589   8.888
  549    HB3  ASN  73           HB1      ASN  73 -10.062   0.477   9.829
  550   HD21  ASN  73          HD21      ASN  73  -8.028   2.576  10.553
  551   HD22  ASN  73          HD22      ASN  73  -6.938   1.749  11.618
  552    H    THR  74           HN       THR  74 -10.630  -2.246   8.498
  553    HA   THR  74           HA       THR  74 -11.814  -2.211   5.982
  554    HB   THR  74           HB       THR  74 -13.228  -3.045   8.513
  555    HG1  THR  74           HG1      THR  74 -11.911  -4.718   8.658
  556   HG21  THR  74          HG21      THR  74 -13.307  -4.154   5.701
  557   HG22  THR  74          HG22      THR  74 -14.543  -3.129   6.430
  558   HG23  THR  74          HG23      THR  74 -14.238  -4.741   7.080
  559    H    ASP  75           HN       ASP  75 -12.517  -0.267   8.818
  560    HA   ASP  75           HA       ASP  75 -15.029   0.737   8.094
  561    HB2  ASP  75           HB2      ASP  75 -12.763   2.042   9.617
  562    HB3  ASP  75           HB1      ASP  75 -14.347   2.782   9.426
  563    H    GLU  76           HN       GLU  76 -11.816   2.073   7.470
  564    HA   GLU  76           HA       GLU  76 -12.693   4.155   5.808
  565    HB2  GLU  76           HB2      GLU  76  -9.998   2.810   5.952
  566    HB3  GLU  76           HB1      GLU  76 -10.330   4.300   5.076
  567    HG2  GLU  76           HG2      GLU  76 -10.631   3.882   8.040
  568    HG3  GLU  76           HG1      GLU  76  -9.343   4.777   7.234
  569    H    ILE  77           HN       ILE  77 -11.585   0.856   4.981
  570    HA   ILE  77           HA       ILE  77 -11.836   1.034   2.228
  571    HB   ILE  77           HB       ILE  77 -12.599  -1.324   3.964
  572   HG12  ILE  77          HG12      ILE  77  -9.958  -0.613   2.653
  573   HG13  ILE  77          HG11      ILE  77 -10.300  -0.567   4.381
  574   HG21  ILE  77          HG21      ILE  77 -12.131  -2.685   1.967
  575   HG22  ILE  77          HG22      ILE  77 -11.874  -1.211   1.035
  576   HG23  ILE  77          HG23      ILE  77 -13.465  -1.563   1.703
  577   HD11  ILE  77          HD11      ILE  77 -10.625  -2.983   4.387
  578   HD12  ILE  77          HD12      ILE  77  -9.030  -2.551   3.772
  579   HD13  ILE  77          HD13      ILE  77 -10.305  -3.034   2.653
  580    H    GLU  78           HN       GLU  78 -14.356   0.424   4.644
  581    HA   GLU  78           HA       GLU  78 -16.494   0.107   2.819
  582    HB2  GLU  78           HB2      GLU  78 -16.560  -0.609   5.193
  583    HB3  GLU  78           HB1      GLU  78 -16.554   1.077   5.686
  584    HG2  GLU  78           HG2      GLU  78 -18.703   1.426   4.631
  585    HG3  GLU  78           HG1      GLU  78 -18.706  -0.238   4.045
  586    H    ARG  79           HN       ARG  79 -15.057   2.888   4.390
  587    HA   ARG  79           HA       ARG  79 -16.872   4.885   3.839
  588    HB2  ARG  79           HB2      ARG  79 -14.496   4.872   5.017
  589    HB3  ARG  79           HB1      ARG  79 -13.964   5.449   3.445
  590    HG2  ARG  79           HG2      ARG  79 -14.323   7.397   4.641
  591    HG3  ARG  79           HG1      ARG  79 -15.815   7.220   3.712
  592    HD2  ARG  79           HD2      ARG  79 -16.303   7.812   6.026
  593    HD3  ARG  79           HD1      ARG  79 -16.893   6.191   5.656
  594    HE   ARG  79           HE       ARG  79 -14.263   6.450   6.914
  595   HH11  ARG  79          HH11      ARG  79 -17.643   5.584   7.211
  596   HH12  ARG  79          HH12      ARG  79 -17.406   4.671   8.665
  597   HH21  ARG  79          HH21      ARG  79 -13.950   5.275   8.821
  598   HH22  ARG  79          HH22      ARG  79 -15.308   4.506   9.594
  599    H    LEU  80           HN       LEU  80 -14.707   3.249   1.654
  600    HA   LEU  80           HA       LEU  80 -14.641   5.189  -0.404
  601    HB2  LEU  80           HB2      LEU  80 -14.261   2.196  -0.546
  602    HB3  LEU  80           HB1      LEU  80 -13.874   3.319  -1.840
  603    HG   LEU  80           HG       LEU  80 -12.565   3.283   0.886
  604   HD11  LEU  80          HD11      LEU  80 -10.593   2.466  -0.319
  605   HD12  LEU  80          HD12      LEU  80 -11.546   2.366  -1.799
  606   HD13  LEU  80          HD13      LEU  80 -11.943   1.336  -0.422
  607   HD21  LEU  80          HD21      LEU  80 -10.970   4.860  -0.121
  608   HD22  LEU  80          HD22      LEU  80 -12.602   5.523  -0.064
  609   HD23  LEU  80          HD23      LEU  80 -11.954   4.906  -1.583
  610    H    MET  81           HN       MET  81 -17.095   3.024   0.590
  611    HA   MET  81           HA       MET  81 -18.462   2.887  -1.931
  612    HB2  MET  81           HB2      MET  81 -19.205   2.181   0.893
  613    HB3  MET  81           HB1      MET  81 -20.419   2.183  -0.377
  614    HG2  MET  81           HG2      MET  81 -17.891   0.547  -0.374
  615    HG3  MET  81           HG1      MET  81 -19.510  -0.045   0.015
  616    HE1  MET  81           HE1      MET  81 -21.201   1.687  -2.224
  617    HE2  MET  81           HE2      MET  81 -21.530   0.028  -1.730
  618    HE3  MET  81           HE3      MET  81 -21.347   0.417  -3.439
  619    H    GLU  82           HN       GLU  82 -18.181   5.228   0.521
  620    HA   GLU  82           HA       GLU  82 -20.705   6.522  -0.092
  621    HB2  GLU  82           HB2      GLU  82 -18.412   7.328   1.719
  622    HB3  GLU  82           HB1      GLU  82 -19.891   8.257   1.533
  623    HG2  GLU  82           HG2      GLU  82 -19.691   5.449   2.597
  624    HG3  GLU  82           HG1      GLU  82 -19.910   6.908   3.554
  625    H    ALA  83           HN       ALA  83 -20.820   8.698  -0.963
  626    HA   ALA  83           HA       ALA  83 -19.221   9.131  -3.217
  627    HB1  ALA  83           HB1      ALA  83 -20.271  11.330  -3.356
  628    HB2  ALA  83           HB2      ALA  83 -20.859  11.164  -1.702
  629    HB3  ALA  83           HB3      ALA  83 -21.459  10.087  -2.963
  630    H    ASP  84           HN       ASP  84 -19.094  10.662  -0.015
  631    HA   ASP  84           HA       ASP  84 -16.814  12.267  -0.604
  632    HB2  ASP  84           HB2      ASP  84 -18.043  11.436   2.035
  633    HB3  ASP  84           HB1      ASP  84 -16.683  12.543   1.901
  634    H    GLY  85           HN       GLY  85 -17.137   8.995  -0.192
  635    HA2  GLY  85           HA2      GLY  85 -14.666   8.496   1.213
  636    HA3  GLY  85           HA1      GLY  85 -15.697   7.296   0.434
  637    H    ALA  86           HN       ALA  86 -15.807   7.890  -2.133
  638    HA   ALA  86           HA       ALA  86 -13.376   7.383  -3.302
  639    HB1  ALA  86           HB1      ALA  86 -15.662   8.922  -4.527
  640    HB2  ALA  86           HB2      ALA  86 -15.544   7.166  -4.438
  641    HB3  ALA  86           HB3      ALA  86 -14.383   8.079  -5.402
  642    H    ALA  87           HN       ALA  87 -14.839  10.513  -2.564
  643    HA   ALA  87           HA       ALA  87 -12.884  12.138  -3.770
  644    HB1  ALA  87           HB1      ALA  87 -13.740  13.927  -2.359
  645    HB2  ALA  87           HB2      ALA  87 -14.593  12.748  -1.364
  646    HB3  ALA  87           HB3      ALA  87 -15.064  12.986  -3.045
  647    H    ARG  88           HN       ARG  88 -13.034  10.563  -0.641
  648    HA   ARG  88           HA       ARG  88 -10.818  11.922   0.517
  649    HB2  ARG  88           HB2      ARG  88 -12.564  10.698   1.818
  650    HB3  ARG  88           HB1      ARG  88 -11.924   9.187   1.189
  651    HG2  ARG  88           HG2      ARG  88  -9.797   9.607   2.291
  652    HG3  ARG  88           HG1      ARG  88 -10.408  11.147   2.899
  653    HD2  ARG  88           HD2      ARG  88 -11.506   8.414   3.549
  654    HD3  ARG  88           HD1      ARG  88 -10.530   9.423   4.617
  655    HE   ARG  88           HE       ARG  88 -12.839  10.823   3.761
  656   HH11  ARG  88          HH11      ARG  88 -11.835   8.269   5.962
  657   HH12  ARG  88          HH12      ARG  88 -13.151   8.550   7.062
  658   HH21  ARG  88          HH21      ARG  88 -14.573  11.154   5.196
  659   HH22  ARG  88          HH22      ARG  88 -14.710  10.172   6.625
  660    H    PHE  89           HN       PHE  89 -11.240   9.039  -1.425
  661    HA   PHE  89           HA       PHE  89  -8.641   7.992  -1.224
  662    HB2  PHE  89           HB2      PHE  89 -10.600   6.788  -2.209
  663    HB3  PHE  89           HB1      PHE  89 -10.497   7.844  -3.616
  664    HD1  PHE  89           HD2      PHE  89  -8.820   5.154  -1.750
  665    HD2  PHE  89           HD1      PHE  89  -8.861   7.479  -5.316
  666    HE1  PHE  89           HE2      PHE  89  -7.217   3.606  -2.777
  667    HE2  PHE  89           HE1      PHE  89  -7.259   5.932  -6.346
  668    HZ   PHE  89           HZ       PHE  89  -6.431   3.992  -5.077
  669    H    GLU  90           HN       GLU  90 -10.051  10.412  -3.386
  670    HA   GLU  90           HA       GLU  90  -7.823  10.719  -5.083
  671    HB2  GLU  90           HB2      GLU  90 -10.012  12.663  -4.327
  672    HB3  GLU  90           HB1      GLU  90  -8.819  12.979  -5.578
  673    HG2  GLU  90           HG2      GLU  90 -10.892  10.797  -5.563
  674    HG3  GLU  90           HG1      GLU  90 -10.863  12.233  -6.584
  675    H    ARG  91           HN       ARG  91  -8.761  12.307  -2.075
  676    HA   ARG  91           HA       ARG  91  -6.590  14.150  -2.122
  677    HB2  ARG  91           HB2      ARG  91  -8.756  14.490  -0.888
  678    HB3  ARG  91           HB1      ARG  91  -8.219  13.284   0.271
  679    HG2  ARG  91           HG2      ARG  91  -7.841  15.561   1.073
  680    HG3  ARG  91           HG1      ARG  91  -6.328  14.672   0.883
  681    HD2  ARG  91           HD2      ARG  91  -5.936  15.774  -1.256
  682    HD3  ARG  91           HD1      ARG  91  -7.467  16.637  -1.105
  683    HE   ARG  91           HE       ARG  91  -6.026  17.255   1.159
  684   HH11  ARG  91          HH11      ARG  91  -5.539  17.575  -2.292
  685   HH12  ARG  91          HH12      ARG  91  -4.625  19.041  -2.153
  686   HH21  ARG  91          HH21      ARG  91  -4.819  19.183   1.343
  687   HH22  ARG  91          HH22      ARG  91  -4.213  19.952  -0.087
  688    H    TYR  92           HN       TYR  92  -7.029  10.897  -1.005
  689    HA   TYR  92           HA       TYR  92  -4.797  10.824   0.767
  690    HB2  TYR  92           HB2      TYR  92  -6.710   9.198   0.833
  691    HB3  TYR  92           HB1      TYR  92  -6.115   8.511  -0.675
  692    HD1  TYR  92           HD1      TYR  92  -4.955   9.265   2.797
  693    HD2  TYR  92           HD2      TYR  92  -4.678   6.696  -0.585
  694    HE1  TYR  92           HE1      TYR  92  -3.482   7.760   4.069
  695    HE2  TYR  92           HE2      TYR  92  -3.206   5.183   0.678
  696    HH   TYR  92           HH       TYR  92  -2.787   5.407   4.045
  697    H    LEU  93           HN       LEU  93  -5.242  10.427  -2.663
  698    HA   LEU  93           HA       LEU  93  -2.788   9.206  -3.298
  699    HB2  LEU  93           HB2      LEU  93  -4.377  11.194  -4.933
  700    HB3  LEU  93           HB1      LEU  93  -3.100  10.162  -5.551
  701    HG   LEU  93           HG       LEU  93  -5.736   9.193  -4.430
  702   HD11  LEU  93          HD11      LEU  93  -6.038  10.335  -6.545
  703   HD12  LEU  93          HD12      LEU  93  -6.239   8.595  -6.753
  704   HD13  LEU  93          HD13      LEU  93  -4.746   9.378  -7.269
  705   HD21  LEU  93          HD21      LEU  93  -3.994   7.561  -4.064
  706   HD22  LEU  93          HD22      LEU  93  -3.457   7.712  -5.736
  707   HD23  LEU  93          HD23      LEU  93  -5.039   7.020  -5.377
  708    H    ALA  94           HN       ALA  94  -3.672  12.534  -2.665
  709    HA   ALA  94           HA       ALA  94  -1.122  13.625  -3.364
  710    HB1  ALA  94           HB1      ALA  94  -3.170  14.973  -3.396
  711    HB2  ALA  94           HB2      ALA  94  -1.938  15.679  -2.351
  712    HB3  ALA  94           HB3      ALA  94  -3.300  14.806  -1.646
  713    H    ALA  95           HN       ALA  95  -2.392  12.027  -0.604
  714    HA   ALA  95           HA       ALA  95  -0.356  13.132   1.173
  715    HB1  ALA  95           HB1      ALA  95  -2.672  12.968   1.979
  716    HB2  ALA  95           HB2      ALA  95  -1.552  12.022   2.960
  717    HB3  ALA  95           HB3      ALA  95  -2.598  11.216   1.791
  718    H    LEU  96           HN       LEU  96  -0.692  10.552  -0.935
  719    HA   LEU  96           HA       LEU  96   0.374   8.381   0.408
  720    HB2  LEU  96           HB2      LEU  96   0.601   9.200  -2.475
  721    HB3  LEU  96           HB1      LEU  96   1.287   7.706  -1.880
  722    HG   LEU  96           HG       LEU  96  -1.637   8.413  -1.687
  723   HD11  LEU  96          HD11      LEU  96  -0.929   8.203  -4.017
  724   HD12  LEU  96          HD12      LEU  96  -1.956   6.853  -3.532
  725   HD13  LEU  96          HD13      LEU  96  -0.211   6.632  -3.658
  726   HD21  LEU  96          HD21      LEU  96  -0.958   6.825   0.003
  727   HD22  LEU  96          HD22      LEU  96  -0.119   5.852  -1.204
  728   HD23  LEU  96          HD23      LEU  96  -1.876   5.988  -1.250
  729    HA   PRO  97           HA       PRO  97   4.869   9.742  -0.825
  730    HB2  PRO  97           HB2      PRO  97   5.206  12.422  -1.276
  731    HB3  PRO  97           HB1      PRO  97   4.988  11.228  -2.558
  732    HG2  PRO  97           HG2      PRO  97   2.969  13.055  -1.307
  733    HG3  PRO  97           HG1      PRO  97   3.207  12.654  -3.020
  734    HD2  PRO  97           HD2      PRO  97   1.260  11.513  -1.577
  735    HD3  PRO  97           HD1      PRO  97   2.151  10.601  -2.814
  736    H    ARG  98           HN       ARG  98   2.673  11.822   0.934
  737    HA   ARG  98           HA       ARG  98   4.625  12.899   2.720
  738    HB2  ARG  98           HB2      ARG  98   1.626  12.698   3.078
  739    HB3  ARG  98           HB1      ARG  98   2.713  13.717   4.010
  740    HG2  ARG  98           HG2      ARG  98   3.272  14.945   1.942
  741    HG3  ARG  98           HG1      ARG  98   2.087  13.967   1.076
  742    HD2  ARG  98           HD2      ARG  98   1.112  16.095   1.689
  743    HD3  ARG  98           HD1      ARG  98   0.333  14.795   2.589
  744    HE   ARG  98           HE       ARG  98   2.438  15.820   4.135
  745   HH11  ARG  98          HH11      ARG  98  -0.711  16.783   2.939
  746   HH12  ARG  98          HH12      ARG  98  -1.007  17.889   4.242
  747   HH21  ARG  98          HH21      ARG  98   2.047  17.263   5.851
  748   HH22  ARG  98          HH22      ARG  98   0.561  18.158   5.906
  749    H    LYS  99           HN       LYS  99   2.392  10.185   2.774
  750    HA   LYS  99           HA       LYS  99   3.060   9.416   5.466
  751    HB2  LYS  99           HB2      LYS  99   1.627   7.919   3.266
  752    HB3  LYS  99           HB1      LYS  99   1.800   7.338   4.908
  753    HG2  LYS  99           HG2      LYS  99   0.277   9.766   3.988
  754    HG3  LYS  99           HG1      LYS  99  -0.390   8.270   4.639
  755    HD2  LYS  99           HD2      LYS  99   1.358  10.215   6.149
  756    HD3  LYS  99           HD1      LYS  99  -0.393  10.093   6.292
  757    HE2  LYS  99           HE2      LYS  99   1.528   7.851   6.905
  758    HE3  LYS  99           HE1      LYS  99   0.863   8.949   8.111
  759    HZ1  LYS  99           HZ1      LYS  99  -1.352   8.178   7.533
  760    HZ2  LYS  99           HZ2      LYS  99  -0.381   6.892   8.029
  761    HZ3  LYS  99           HZ3      LYS  99  -0.714   7.114   6.388
  762    H    LEU 100           HN       LEU 100   4.030   8.593   2.217
  763    HA   LEU 100           HA       LEU 100   5.548   6.318   2.655
  764    HB2  LEU 100           HB2      LEU 100   4.931   7.260   0.447
  765    HB3  LEU 100           HB1      LEU 100   6.087   8.551   0.699
  766    HG   LEU 100           HG       LEU 100   7.889   6.792   0.802
  767   HD11  LEU 100          HD11      LEU 100   5.634   5.048  -0.168
  768   HD12  LEU 100          HD12      LEU 100   6.589   4.841   1.301
  769   HD13  LEU 100          HD13      LEU 100   7.342   4.630  -0.278
  770   HD21  LEU 100          HD21      LEU 100   7.529   8.161  -1.172
  771   HD22  LEU 100          HD22      LEU 100   6.293   7.040  -1.742
  772   HD23  LEU 100          HD23      LEU 100   7.973   6.517  -1.630
  773    H    ALA 101           HN       ALA 101   6.582   9.718   2.691
  774    HA   ALA 101           HA       ALA 101   9.275   9.267   3.347
  775    HB1  ALA 101           HB1      ALA 101   9.332  11.611   3.989
  776    HB2  ALA 101           HB2      ALA 101   7.570  11.659   4.030
  777    HB3  ALA 101           HB3      ALA 101   8.409  11.405   2.500
  778    H    ALA 102           HN       ALA 102   6.398   9.373   5.251
  779    HA   ALA 102           HA       ALA 102   7.670   9.741   7.786
  780    HB1  ALA 102           HB1      ALA 102   4.896   8.759   7.120
  781    HB2  ALA 102           HB2      ALA 102   5.366  10.425   7.452
  782    HB3  ALA 102           HB3      ALA 102   5.464   9.213   8.726
  783    H    TRP 103           HN       TRP 103   6.522   6.972   5.926
  784    HA   TRP 103           HA       TRP 103   6.916   5.055   7.980
  785    HB2  TRP 103           HB2      TRP 103   6.769   4.707   4.973
  786    HB3  TRP 103           HB1      TRP 103   6.766   3.377   6.131
  787    HD1  TRP 103           HD1      TRP 103   4.700   4.695   8.234
  788    HE1  TRP 103           HE1      TRP 103   2.211   4.827   7.598
  789    HE3  TRP 103           HE3      TRP 103   5.141   4.278   3.165
  790    HZ2  TRP 103           HZ2      TRP 103   0.644   4.765   5.254
  791    HZ3  TRP 103           HZ3      TRP 103   3.099   4.325   1.796
  792    HH2  TRP 103           HH2      TRP 103   0.897   4.560   2.821
  793    H    GLU 104           HN       GLU 104   8.956   6.221   5.330
  794    HA   GLU 104           HA       GLU 104  11.009   4.345   5.516
  795    HB2  GLU 104           HB2      GLU 104  11.182   7.275   4.809
  796    HB3  GLU 104           HB1      GLU 104  12.481   6.122   4.572
  797    HG2  GLU 104           HG2      GLU 104  10.984   4.840   3.051
  798    HG3  GLU 104           HG1      GLU 104   9.803   6.148   3.206
  799    H    ASN 105           HN       ASN 105  10.740   7.502   7.090
  800    HA   ASN 105           HA       ASN 105  13.155   7.231   8.540
  801    HB2  ASN 105           HB2      ASN 105  10.829   9.129   8.756
  802    HB3  ASN 105           HB1      ASN 105  12.210   9.219   9.845
  803   HD21  ASN 105          HD21      ASN 105  14.208   9.895   9.046
  804   HD22  ASN 105          HD22      ASN 105  14.372  10.643   7.493
  805    H    ALA 106           HN       ALA 106   9.871   6.295   9.246
  806    HA   ALA 106           HA       ALA 106  10.353   6.068  12.078
  807    HB1  ALA 106           HB1      ALA 106   8.012   5.058  10.473
  808    HB2  ALA 106           HB2      ALA 106   8.136   6.666  11.185
  809    HB3  ALA 106           HB3      ALA 106   8.088   5.242  12.225
  810    H    ARG 107           HN       ARG 107   9.963   3.786   9.373
  811    HA   ARG 107           HA       ARG 107  10.383   1.590  11.266
  812    HB2  ARG 107           HB2      ARG 107   9.426   1.545   8.407
  813    HB3  ARG 107           HB1      ARG 107   9.610   0.123   9.423
  814    HG2  ARG 107           HG2      ARG 107   7.712   2.422   9.860
  815    HG3  ARG 107           HG1      ARG 107   7.300   0.783   9.356
  816    HD2  ARG 107           HD2      ARG 107   8.414   1.648  12.027
  817    HD3  ARG 107           HD1      ARG 107   6.812   1.000  11.701
  818    HE   ARG 107           HE       ARG 107   9.328  -0.532  11.573
  819   HH11  ARG 107          HH11      ARG 107   5.845  -0.394  11.916
  820   HH12  ARG 107          HH12      ARG 107   5.688  -2.084  12.261
  821   HH21  ARG 107          HH21      ARG 107   9.137  -2.745  12.044
  822   HH22  ARG 107          HH22      ARG 107   7.563  -3.426  12.338
  823    H    GLY 108           HN       GLY 108  12.378   3.440   9.589
  824    HA2  GLY 108           HA2      GLY 108  14.581   3.172   8.959
  825    HA3  GLY 108           HA1      GLY 108  14.510   1.565   9.678
  826    H    VAL 109           HN       VAL 109  12.841   3.093   6.966
  827    HA   VAL 109           HA       VAL 109  13.604   0.774   5.312
  828    HB   VAL 109           HB       VAL 109  11.101   2.464   5.106
  829   HG11  VAL 109          HG11      VAL 109  11.936   0.094   3.445
  830   HG12  VAL 109          HG12      VAL 109  11.892   1.771   2.899
  831   HG13  VAL 109          HG13      VAL 109  10.396   0.946   3.340
  832   HG21  VAL 109          HG21      VAL 109   9.907   0.426   5.705
  833   HG22  VAL 109          HG22      VAL 109  11.045   0.885   6.972
  834   HG23  VAL 109          HG23      VAL 109  11.438  -0.431   5.867
  835    H    ASP 110           HN       ASP 110  14.671   1.198   3.434
  836    HA   ASP 110           HA       ASP 110  14.749   3.975   2.493
  837    HB2  ASP 110           HB2      ASP 110  16.726   3.581   3.976
  838    HB3  ASP 110           HB1      ASP 110  17.241   2.295   2.882
  839    H    PHE 111           HN       PHE 111  14.057   3.891   0.471
  840    HA   PHE 111           HA       PHE 111  14.091   1.430  -0.992
  841    HB2  PHE 111           HB2      PHE 111  13.121   4.190  -1.707
  842    HB3  PHE 111           HB1      PHE 111  12.949   2.794  -2.767
  843    HD1  PHE 111           HD1      PHE 111  11.499   0.904  -2.102
  844    HD2  PHE 111           HD2      PHE 111  11.732   4.477   0.203
  845    HE1  PHE 111           HE1      PHE 111   9.407   0.303  -0.963
  846    HE2  PHE 111           HE2      PHE 111   9.643   3.877   1.347
  847    HZ   PHE 111           HZ       PHE 111   8.529   1.707   0.826
  848    H    GLY 112           HN       GLY 112  16.276   4.019  -0.740
  849    HA2  GLY 112           HA2      GLY 112  17.462   3.729  -3.339
  850    HA3  GLY 112           HA1      GLY 112  18.176   4.544  -1.951
  851    H    SER 113           HN       SER 113  18.236   2.550  -0.092
  852    HA   SER 113           HA       SER 113  20.415   0.929  -1.030
  853    HB2  SER 113           HB2      SER 113  19.014   0.775   1.648
  854    HB3  SER 113           HB1      SER 113  20.660   0.265   1.267
  855    HG   SER 113           HG       SER 113  19.617   2.907   1.377
  856    H    ARG 114           HN       ARG 114  17.039   0.619  -0.718
  857    HA   ARG 114           HA       ARG 114  15.550  -0.991  -1.239
  858    HB2  ARG 114           HB2      ARG 114  17.987  -2.239  -2.499
  859    HB3  ARG 114           HB1      ARG 114  16.379  -2.955  -2.610
  860    HG2  ARG 114           HG2      ARG 114  15.550  -0.953  -3.720
  861    HG3  ARG 114           HG1      ARG 114  17.140  -0.203  -3.576
  862    HD2  ARG 114           HD2      ARG 114  16.659  -2.793  -5.029
  863    HD3  ARG 114           HD1      ARG 114  16.596  -1.218  -5.816
  864    HE   ARG 114           HE       ARG 114  19.026  -1.343  -4.494
  865   HH11  ARG 114          HH11      ARG 114  17.404  -3.116  -7.036
  866   HH12  ARG 114          HH12      ARG 114  18.870  -3.502  -7.883
  867   HH21  ARG 114          HH21      ARG 114  20.967  -1.842  -5.614
  868   HH22  ARG 114          HH22      ARG 114  20.896  -2.785  -7.069
  869    H    THR 115           HN       THR 115  17.073  -1.004   1.265
  870    HA   THR 115           HA       THR 115  16.420  -3.741   2.103
  871    HB   THR 115           HB       THR 115  18.330  -3.511   3.769
  872    HG1  THR 115           HG1      THR 115  18.831  -1.339   3.601
  873   HG21  THR 115          HG21      THR 115  18.490  -4.990   1.833
  874   HG22  THR 115          HG22      THR 115  20.043  -4.224   2.160
  875   HG23  THR 115          HG23      THR 115  19.035  -3.640   0.837
  876    H    GLN 116           HN       GLN 116  16.492  -3.678   4.705
  877    HA   GLN 116           HA       GLN 116  15.363  -1.175   5.676
  878    HB2  GLN 116           HB2      GLN 116  13.448  -2.356   6.729
  879    HB3  GLN 116           HB1      GLN 116  13.390  -2.377   4.975
  880    HG2  GLN 116           HG2      GLN 116  14.078  -4.656   4.903
  881    HG3  GLN 116           HG1      GLN 116  14.428  -4.662   6.631
  882   HE21  GLN 116          HE21      GLN 116  12.592  -6.337   5.023
  883   HE22  GLN 116          HE22      GLN 116  11.046  -6.150   5.774
  884    H    ALA 117           HN       ALA 117  15.526  -0.860   7.876
  885    HA   ALA 117           HA       ALA 117  17.592  -2.382   9.185
  886    HB1  ALA 117           HB1      ALA 117  15.943  -0.082  10.226
  887    HB2  ALA 117           HB2      ALA 117  17.481   0.066   9.378
  888    HB3  ALA 117           HB3      ALA 117  17.415  -0.724  10.952
  889    H    ASP 118           HN       ASP 118  14.199  -2.439   9.047
  890    HA   ASP 118           HA       ASP 118  13.844  -3.739  11.621
  891    HB2  ASP 118           HB2      ASP 118  12.170  -2.142  10.305
  892    HB3  ASP 118           HB1      ASP 118  11.693  -3.657   9.539
  893    H    ALA 119           HN       ALA 119  12.527  -5.864  11.564
  894    HA   ALA 119           HA       ALA 119  13.970  -7.755   9.933
  895    HB1  ALA 119           HB1      ALA 119  12.678  -9.456  11.094
  896    HB2  ALA 119           HB2      ALA 119  11.616  -8.220  11.765
  897    HB3  ALA 119           HB3      ALA 119  13.309  -8.284  12.251
  898    H    LEU 120           HN       LEU 120  10.705  -6.475  10.125
  899    HA   LEU 120           HA       LEU 120  10.235  -6.819   7.344
  900    HB2  LEU 120           HB2      LEU 120   9.816  -9.132   8.176
  901    HB3  LEU 120           HB1      LEU 120   8.605  -8.497   9.264
  902    HG   LEU 120           HG       LEU 120   7.263  -7.764   7.328
  903   HD11  LEU 120          HD11      LEU 120   8.991  -7.414   5.694
  904   HD12  LEU 120          HD12      LEU 120   7.862  -8.625   5.092
  905   HD13  LEU 120          HD13      LEU 120   9.428  -9.122   5.734
  906   HD21  LEU 120          HD21      LEU 120   6.844  -9.926   8.352
  907   HD22  LEU 120          HD22      LEU 120   8.040 -10.673   7.294
  908   HD23  LEU 120          HD23      LEU 120   6.564  -9.989   6.613
  909    H    VAL 121           HN       VAL 121   8.483  -5.488   6.703
  910    HA   VAL 121           HA       VAL 121   7.339  -3.966   8.933
  911    HB   VAL 121           HB       VAL 121   8.976  -2.574   7.897
  912   HG11  VAL 121          HG11      VAL 121   7.622  -3.098   5.262
  913   HG12  VAL 121          HG12      VAL 121   9.202  -3.699   5.762
  914   HG13  VAL 121          HG13      VAL 121   8.948  -1.968   5.535
  915   HG21  VAL 121          HG21      VAL 121   6.956  -1.444   8.582
  916   HG22  VAL 121          HG22      VAL 121   6.217  -1.756   7.013
  917   HG23  VAL 121          HG23      VAL 121   7.610  -0.681   7.133
  918    H    LEU 122           HN       LEU 122   5.473  -5.115   9.007
  919    HA   LEU 122           HA       LEU 122   3.689  -4.948   6.676
  920    HB2  LEU 122           HB2      LEU 122   3.291  -6.509   9.233
  921    HB3  LEU 122           HB1      LEU 122   2.333  -6.629   7.772
  922    HG   LEU 122           HG       LEU 122   5.211  -7.504   8.076
  923   HD11  LEU 122          HD11      LEU 122   3.633  -8.968   9.227
  924   HD12  LEU 122          HD12      LEU 122   4.318  -9.756   7.807
  925   HD13  LEU 122          HD13      LEU 122   2.678  -9.107   7.751
  926   HD21  LEU 122          HD21      LEU 122   4.816  -6.709   5.830
  927   HD22  LEU 122          HD22      LEU 122   3.348  -7.678   5.714
  928   HD23  LEU 122          HD23      LEU 122   4.919  -8.469   5.833
  929    H    LEU 123           HN       LEU 123   2.570  -3.093   6.705
  930    HA   LEU 123           HA       LEU 123   2.011  -1.837   9.287
  931    HB2  LEU 123           HB2      LEU 123   1.711  -0.712   6.502
  932    HB3  LEU 123           HB1      LEU 123   1.519   0.181   7.999
  933    HG   LEU 123           HG       LEU 123   4.081  -1.007   6.943
  934   HD11  LEU 123          HD11      LEU 123   3.329   1.009   5.773
  935   HD12  LEU 123          HD12      LEU 123   4.791   1.300   6.715
  936   HD13  LEU 123          HD13      LEU 123   3.229   1.860   7.314
  937   HD21  LEU 123          HD21      LEU 123   3.556   0.542   9.478
  938   HD22  LEU 123          HD22      LEU 123   5.149   0.132   8.843
  939   HD23  LEU 123          HD23      LEU 123   4.055  -1.146   9.363
  940    H    GLY 124           HN       GLY 124   0.170  -2.440  10.172
  941    HA2  GLY 124           HA2      GLY 124  -2.236  -2.465   8.466
  942    HA3  GLY 124           HA1      GLY 124  -2.050  -3.460   9.903
  943    H    GLY 125           HN       GLY 125  -4.263  -1.868   9.696
  944    HA2  GLY 125           HA2      GLY 125  -5.427  -0.458  11.104
  945    HA3  GLY 125           HA1      GLY 125  -3.936  -0.173  11.990
  946    H    LEU 126           HN       LEU 126  -3.688   0.348   8.634
  947    HA   LEU 126           HA       LEU 126  -3.323   3.161   9.024
  948    HB2  LEU 126           HB2      LEU 126  -3.106   1.302   6.701
  949    HB3  LEU 126           HB1      LEU 126  -3.263   3.021   6.385
  950    HG   LEU 126           HG       LEU 126  -1.232   3.445   7.719
  951   HD11  LEU 126          HD11      LEU 126   0.174   1.632   8.458
  952   HD12  LEU 126          HD12      LEU 126  -0.988   0.445   7.863
  953   HD13  LEU 126          HD13      LEU 126  -1.412   1.496   9.215
  954   HD21  LEU 126          HD21      LEU 126  -1.070   3.140   5.312
  955   HD22  LEU 126          HD22      LEU 126  -0.890   1.400   5.531
  956   HD23  LEU 126          HD23      LEU 126   0.357   2.497   6.123
  957    H    ASP 127           HN       ASP 127  -4.468   4.825   7.935
  958    HA   ASP 127           HA       ASP 127  -7.264   4.148   7.299
  959    HB2  ASP 127           HB2      ASP 127  -6.326   6.526   8.942
  960    HB3  ASP 127           HB1      ASP 127  -7.989   6.225   8.440
  961    H    PHE 128           HN       PHE 128  -8.331   6.057   6.141
  962    HA   PHE 128           HA       PHE 128  -6.450   6.968   4.091
  963    HB2  PHE 128           HB2      PHE 128  -9.408   6.485   4.125
  964    HB3  PHE 128           HB1      PHE 128  -8.722   7.586   2.934
  965    HD1  PHE 128           HD2      PHE 128  -8.720   4.091   4.133
  966    HD2  PHE 128           HD1      PHE 128  -7.516   6.778   1.060
  967    HE1  PHE 128           HE2      PHE 128  -8.136   2.184   2.699
  968    HE2  PHE 128           HE1      PHE 128  -6.923   4.873  -0.374
  969    HZ   PHE 128           HZ       PHE 128  -7.235   2.569   0.442
  970    H    GLU 129           HN       GLU 129  -6.626   8.210   6.685
  971    HA   GLU 129           HA       GLU 129  -7.995  10.711   6.390
  972    HB2  GLU 129           HB2      GLU 129  -7.564   9.660   8.603
  973    HB3  GLU 129           HB1      GLU 129  -5.841   9.908   8.359
  974    HG2  GLU 129           HG2      GLU 129  -6.219  12.330   8.282
  975    HG3  GLU 129           HG1      GLU 129  -7.933  12.057   8.585
  976    H    ALA 130           HN       ALA 130  -7.315  12.205   5.010
  977    HA   ALA 130           HA       ALA 130  -4.435  12.397   4.436
  978    HB1  ALA 130           HB1      ALA 130  -6.755  13.297   2.732
  979    HB2  ALA 130           HB2      ALA 130  -5.847  11.802   2.517
  980    HB3  ALA 130           HB3      ALA 130  -5.048  13.358   2.294
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -24.106  -4.023   8.002
    2    H2   GLY   1           HT2      GLY   1 -24.592  -4.807   9.418
    3    H3   GLY   1           HT3      GLY   1 -25.658  -4.682   8.112
    4    HA2  GLY   1           HA1      GLY   1 -24.736  -6.907   8.265
    5    HA3  GLY   1           HA2      GLY   1 -24.273  -6.102   6.771
    6    H    ALA   2           HN       ALA   2 -22.805  -8.221   7.615
    7    HA   ALA   2           HA       ALA   2 -20.578  -7.406   9.228
    8    HB1  ALA   2           HB1      ALA   2 -20.929  -9.855   7.499
    9    HB2  ALA   2           HB2      ALA   2 -21.339  -9.730   9.210
   10    HB3  ALA   2           HB3      ALA   2 -19.657  -9.608   8.694
   11    H    MET   3           HN       MET   3 -20.200  -5.463   7.856
   12    HA   MET   3           HA       MET   3 -19.064  -5.887   5.233
   13    HB2  MET   3           HB2      MET   3 -19.319  -3.371   6.899
   14    HB3  MET   3           HB1      MET   3 -18.762  -3.419   5.231
   15    HG2  MET   3           HG2      MET   3 -21.503  -4.156   6.244
   16    HG3  MET   3           HG1      MET   3 -21.064  -2.729   5.306
   17    HE1  MET   3           HE1      MET   3 -23.472  -4.626   4.460
   18    HE2  MET   3           HE2      MET   3 -23.185  -4.725   2.722
   19    HE3  MET   3           HE3      MET   3 -22.962  -3.194   3.569
   20    H    GLY   4           HN       GLY   4 -17.779  -6.813   7.874
   21    HA2  GLY   4           HA2      GLY   4 -15.171  -5.534   7.614
   22    HA3  GLY   4           HA1      GLY   4 -15.618  -6.766   8.787
   23    H    MET   5           HN       MET   5 -16.884  -8.162   6.341
   24    HA   MET   5           HA       MET   5 -14.458  -9.118   5.012
   25    HB2  MET   5           HB2      MET   5 -15.075 -11.455   5.340
   26    HB3  MET   5           HB1      MET   5 -14.880 -10.661   6.897
   27    HG2  MET   5           HG2      MET   5 -17.299 -10.453   7.108
   28    HG3  MET   5           HG1      MET   5 -17.508 -11.220   5.535
   29    HE1  MET   5           HE1      MET   5 -19.159 -12.976   6.533
   30    HE2  MET   5           HE2      MET   5 -19.008 -12.248   8.133
   31    HE3  MET   5           HE3      MET   5 -18.809 -13.989   7.933
   32    H    SER   6           HN       SER   6 -16.775  -7.441   4.319
   33    HA   SER   6           HA       SER   6 -18.651  -8.863   2.784
   34    HB2  SER   6           HB2      SER   6 -18.876  -6.461   1.715
   35    HB3  SER   6           HB1      SER   6 -19.378  -6.748   3.381
   36    HG   SER   6           HG       SER   6 -17.865  -4.890   2.804
   37    HA   PRO   7           HA       PRO   7 -15.904  -9.922  -0.586
   38    HB2  PRO   7           HB2      PRO   7 -17.878 -10.920  -2.224
   39    HB3  PRO   7           HB1      PRO   7 -17.068 -11.840  -0.956
   40    HG2  PRO   7           HG2      PRO   7 -19.725 -10.489  -0.913
   41    HG3  PRO   7           HG1      PRO   7 -19.238 -12.040  -0.202
   42    HD2  PRO   7           HD2      PRO   7 -19.530  -9.797   1.272
   43    HD3  PRO   7           HD1      PRO   7 -18.318 -11.033   1.666
   44    H    ASP   8           HN       ASP   8 -18.955  -8.185  -1.036
   45    HA   ASP   8           HA       ASP   8 -18.425  -7.140  -3.591
   46    HB2  ASP   8           HB2      ASP   8 -20.082  -5.984  -1.334
   47    HB3  ASP   8           HB1      ASP   8 -20.089  -5.378  -2.985
   48    H    THR   9           HN       THR   9 -17.964  -5.685  -0.387
   49    HA   THR   9           HA       THR   9 -16.753  -3.310  -1.243
   50    HB   THR   9           HB       THR   9 -16.308  -4.753   1.378
   51    HG1  THR   9           HG1      THR   9 -18.092  -2.859   1.713
   52   HG21  THR   9          HG21      THR   9 -14.766  -2.906   1.023
   53   HG22  THR   9          HG22      THR   9 -15.946  -2.486   2.266
   54   HG23  THR   9          HG23      THR   9 -16.112  -1.834   0.634
   55    H    ALA  10           HN       ALA  10 -15.348  -6.378  -0.126
   56    HA   ALA  10           HA       ALA  10 -12.663  -5.604  -0.260
   57    HB1  ALA  10           HB1      ALA  10 -13.484  -7.590   0.938
   58    HB2  ALA  10           HB2      ALA  10 -12.139  -7.956  -0.142
   59    HB3  ALA  10           HB3      ALA  10 -13.785  -8.375  -0.613
   60    H    ARG  11           HN       ARG  11 -14.783  -7.030  -2.705
   61    HA   ARG  11           HA       ARG  11 -12.758  -7.520  -4.619
   62    HB2  ARG  11           HB2      ARG  11 -14.925  -8.631  -4.772
   63    HB3  ARG  11           HB1      ARG  11 -15.725  -7.085  -5.024
   64    HG2  ARG  11           HG2      ARG  11 -14.484  -6.807  -7.127
   65    HG3  ARG  11           HG1      ARG  11 -13.729  -8.379  -6.874
   66    HD2  ARG  11           HD2      ARG  11 -15.914  -9.457  -6.970
   67    HD3  ARG  11           HD1      ARG  11 -16.693  -7.887  -7.170
   68    HE   ARG  11           HE       ARG  11 -14.723  -8.325  -9.172
   69   HH11  ARG  11          HH11      ARG  11 -17.998  -9.190  -8.274
   70   HH12  ARG  11          HH12      ARG  11 -18.499  -9.483  -9.907
   71   HH21  ARG  11          HH21      ARG  11 -15.376  -8.716 -11.312
   72   HH22  ARG  11          HH22      ARG  11 -17.003  -9.230 -11.636
   73    H    ARG  12           HN       ARG  12 -14.949  -4.786  -4.093
   74    HA   ARG  12           HA       ARG  12 -14.185  -3.354  -6.404
   75    HB2  ARG  12           HB2      ARG  12 -15.366  -2.378  -3.800
   76    HB3  ARG  12           HB1      ARG  12 -15.193  -1.383  -5.241
   77    HG2  ARG  12           HG2      ARG  12 -16.632  -2.994  -6.461
   78    HG3  ARG  12           HG1      ARG  12 -16.877  -3.862  -4.946
   79    HD2  ARG  12           HD2      ARG  12 -17.788  -1.742  -3.976
   80    HD3  ARG  12           HD1      ARG  12 -17.693  -1.030  -5.587
   81    HE   ARG  12           HE       ARG  12 -19.141  -3.488  -5.595
   82   HH11  ARG  12          HH11      ARG  12 -19.406  -0.063  -4.921
   83   HH12  ARG  12          HH12      ARG  12 -21.134  -0.038  -5.092
   84   HH21  ARG  12          HH21      ARG  12 -21.414  -3.456  -5.816
   85   HH22  ARG  12          HH22      ARG  12 -22.276  -1.963  -5.606
   86    H    PHE  13           HN       PHE  13 -12.906  -3.437  -3.126
   87    HA   PHE  13           HA       PHE  13 -11.096  -1.280  -3.447
   88    HB2  PHE  13           HB2      PHE  13 -11.769  -2.234  -1.234
   89    HB3  PHE  13           HB1      PHE  13 -10.830  -3.668  -1.605
   90    HD1  PHE  13           HD1      PHE  13 -10.553  -0.008  -1.075
   91    HD2  PHE  13           HD2      PHE  13  -8.539  -3.756  -1.162
   92    HE1  PHE  13           HE1      PHE  13  -8.551   1.050  -0.118
   93    HE2  PHE  13           HE2      PHE  13  -6.534  -2.707  -0.207
   94    HZ   PHE  13           HZ       PHE  13  -6.535  -0.300   0.319
   95    H    ASP  14           HN       ASP  14 -10.754  -4.786  -3.794
   96    HA   ASP  14           HA       ASP  14  -8.030  -4.828  -4.445
   97    HB2  ASP  14           HB2      ASP  14  -9.021  -6.868  -3.779
   98    HB3  ASP  14           HB1      ASP  14 -10.291  -6.737  -4.988
   99    H    THR  15           HN       THR  15 -10.861  -4.296  -6.444
  100    HA   THR  15           HA       THR  15  -9.352  -4.701  -8.878
  101    HB   THR  15           HB       THR  15 -11.551  -4.067  -9.978
  102    HG1  THR  15           HG1      THR  15 -12.717  -4.560  -7.454
  103   HG21  THR  15          HG21      THR  15 -10.865  -6.383  -9.738
  104   HG22  THR  15          HG22      THR  15 -12.595  -6.236  -9.427
  105   HG23  THR  15          HG23      THR  15 -11.469  -6.413  -8.082
  106    H    GLU  16           HN       GLU  16 -10.916  -1.929  -7.238
  107    HA   GLU  16           HA       GLU  16 -10.036  -0.246  -9.473
  108    HB2  GLU  16           HB2      GLU  16 -12.412  -0.129  -8.844
  109    HB3  GLU  16           HB1      GLU  16 -11.953   0.403  -7.233
  110    HG2  GLU  16           HG2      GLU  16 -12.671   2.268  -8.627
  111    HG3  GLU  16           HG1      GLU  16 -10.981   2.424  -8.147
  112    H    PHE  17           HN       PHE  17  -9.782  -0.471  -5.945
  113    HA   PHE  17           HA       PHE  17  -8.424   2.090  -5.865
  114    HB2  PHE  17           HB2      PHE  17  -9.267   0.221  -3.645
  115    HB3  PHE  17           HB1      PHE  17  -8.509   1.789  -3.396
  116    HD1  PHE  17           HD2      PHE  17 -11.523   0.109  -4.731
  117    HD2  PHE  17           HD1      PHE  17  -9.783   3.790  -3.473
  118    HE1  PHE  17           HE2      PHE  17 -13.732   1.183  -4.808
  119    HE2  PHE  17           HE1      PHE  17 -11.991   4.866  -3.554
  120    HZ   PHE  17           HZ       PHE  17 -13.965   3.571  -4.195
  121    H    ALA  18           HN       ALA  18  -7.676  -1.258  -4.893
  122    HA   ALA  18           HA       ALA  18  -5.158  -0.706  -3.841
  123    HB1  ALA  18           HB1      ALA  18  -6.414  -2.797  -3.468
  124    HB2  ALA  18           HB2      ALA  18  -4.726  -3.059  -3.904
  125    HB3  ALA  18           HB3      ALA  18  -5.993  -3.307  -5.101
  126    HA   PRO  19           HA       PRO  19  -3.172  -1.797  -8.149
  127    HB2  PRO  19           HB2      PRO  19  -5.355  -1.114 -10.027
  128    HB3  PRO  19           HB1      PRO  19  -4.232  -2.482 -10.059
  129    HG2  PRO  19           HG2      PRO  19  -6.786  -2.842  -9.412
  130    HG3  PRO  19           HG1      PRO  19  -5.500  -3.722  -8.564
  131    HD2  PRO  19           HD2      PRO  19  -7.013  -1.282  -7.685
  132    HD3  PRO  19           HD1      PRO  19  -6.613  -2.745  -6.763
  133    H    ARG  20           HN       ARG  20  -5.441   0.738  -7.532
  134    HA   ARG  20           HA       ARG  20  -4.249   2.681  -9.269
  135    HB2  ARG  20           HB2      ARG  20  -6.631   2.749  -8.452
  136    HB3  ARG  20           HB1      ARG  20  -6.012   3.156  -6.859
  137    HG2  ARG  20           HG2      ARG  20  -6.688   5.176  -7.869
  138    HG3  ARG  20           HG1      ARG  20  -4.925   5.161  -7.909
  139    HD2  ARG  20           HD2      ARG  20  -5.856   5.944 -10.026
  140    HD3  ARG  20           HD1      ARG  20  -4.979   4.428 -10.237
  141    HE   ARG  20           HE       ARG  20  -7.733   3.930  -9.781
  142   HH11  ARG  20          HH11      ARG  20  -5.519   5.070 -12.239
  143   HH12  ARG  20          HH12      ARG  20  -6.524   4.554 -13.558
  144   HH21  ARG  20          HH21      ARG  20  -9.067   3.256 -11.506
  145   HH22  ARG  20          HH22      ARG  20  -8.545   3.542 -13.143
  146    H    ILE  21           HN       ILE  21  -4.157   1.964  -5.802
  147    HA   ILE  21           HA       ILE  21  -2.304   4.000  -5.115
  148    HB   ILE  21           HB       ILE  21  -2.766   1.376  -3.679
  149   HG12  ILE  21          HG12      ILE  21  -4.118   4.047  -3.212
  150   HG13  ILE  21          HG11      ILE  21  -4.866   2.687  -4.046
  151   HG21  ILE  21          HG21      ILE  21  -0.739   2.610  -3.007
  152   HG22  ILE  21          HG22      ILE  21  -1.933   2.527  -1.713
  153   HG23  ILE  21          HG23      ILE  21  -1.738   4.016  -2.636
  154   HD11  ILE  21          HD11      ILE  21  -3.997   2.770  -1.162
  155   HD12  ILE  21          HD12      ILE  21  -4.643   1.349  -1.982
  156   HD13  ILE  21          HD13      ILE  21  -5.650   2.780  -1.774
  157    H    ALA  22           HN       ALA  22  -2.006   0.593  -5.936
  158    HA   ALA  22           HA       ALA  22   0.684   0.198  -5.389
  159    HB1  ALA  22           HB1      ALA  22  -0.964  -1.081  -7.561
  160    HB2  ALA  22           HB2      ALA  22  -0.899  -1.603  -5.879
  161    HB3  ALA  22           HB3      ALA  22   0.539  -1.710  -6.894
  162    H    ARG  23           HN       ARG  23  -0.827   1.171  -8.459
  163    HA   ARG  23           HA       ARG  23   1.656   1.374  -9.824
  164    HB2  ARG  23           HB2      ARG  23  -1.114   2.354 -10.485
  165    HB3  ARG  23           HB1      ARG  23   0.264   2.619 -11.548
  166    HG2  ARG  23           HG2      ARG  23   0.595   0.220 -11.746
  167    HG3  ARG  23           HG1      ARG  23  -0.750  -0.066 -10.641
  168    HD2  ARG  23           HD2      ARG  23  -0.991   1.399 -13.260
  169    HD3  ARG  23           HD1      ARG  23  -1.322  -0.319 -13.056
  170    HE   ARG  23           HE       ARG  23  -2.929   0.743 -11.210
  171   HH11  ARG  23          HH11      ARG  23  -2.369   1.654 -14.536
  172   HH12  ARG  23          HH12      ARG  23  -3.992   2.202 -14.801
  173   HH21  ARG  23          HH21      ARG  23  -5.100   1.438 -11.565
  174   HH22  ARG  23          HH22      ARG  23  -5.548   2.055 -13.123
  175    H    ALA  24           HN       ALA  24  -0.326   3.653  -8.029
  176    HA   ALA  24           HA       ALA  24   0.959   6.015  -8.852
  177    HB1  ALA  24           HB1      ALA  24  -1.157   6.005  -7.616
  178    HB2  ALA  24           HB2      ALA  24   0.051   7.018  -6.827
  179    HB3  ALA  24           HB3      ALA  24  -0.313   5.417  -6.183
  180    H    ILE  25           HN       ILE  25   1.586   3.817  -6.157
  181    HA   ILE  25           HA       ILE  25   3.794   5.216  -5.097
  182    HB   ILE  25           HB       ILE  25   3.080   2.282  -4.897
  183   HG12  ILE  25          HG12      ILE  25   2.602   4.591  -2.991
  184   HG13  ILE  25          HG11      ILE  25   1.376   3.819  -3.991
  185   HG21  ILE  25          HG21      ILE  25   5.422   2.559  -4.399
  186   HG22  ILE  25          HG22      ILE  25   4.540   2.286  -2.897
  187   HG23  ILE  25          HG23      ILE  25   5.074   3.912  -3.323
  188   HD11  ILE  25          HD11      ILE  25   2.939   2.500  -1.785
  189   HD12  ILE  25          HD12      ILE  25   1.704   1.729  -2.780
  190   HD13  ILE  25          HD13      ILE  25   1.266   3.047  -1.692
  191    H    ALA  26           HN       ALA  26   3.592   2.454  -7.328
  192    HA   ALA  26           HA       ALA  26   6.347   2.029  -7.618
  193    HB1  ALA  26           HB1      ALA  26   4.664   0.403  -8.311
  194    HB2  ALA  26           HB2      ALA  26   5.766   0.784  -9.634
  195    HB3  ALA  26           HB3      ALA  26   4.147   1.483  -9.605
  196    H    ASP  27           HN       ASP  27   4.111   4.101  -9.364
  197    HA   ASP  27           HA       ASP  27   5.920   4.978 -11.358
  198    HB2  ASP  27           HB2      ASP  27   3.493   5.174 -11.623
  199    HB3  ASP  27           HB1      ASP  27   3.415   6.274 -10.255
  200    H    LEU  28           HN       LEU  28   5.065   6.133  -8.156
  201    HA   LEU  28           HA       LEU  28   6.408   8.616  -8.297
  202    HB2  LEU  28           HB2      LEU  28   4.678   8.158  -6.633
  203    HB3  LEU  28           HB1      LEU  28   5.670   6.901  -5.922
  204    HG   LEU  28           HG       LEU  28   7.333   8.628  -5.266
  205   HD11  LEU  28          HD11      LEU  28   5.239  10.536  -6.294
  206   HD12  LEU  28          HD12      LEU  28   6.868  10.314  -6.933
  207   HD13  LEU  28          HD13      LEU  28   6.638  10.990  -5.321
  208   HD21  LEU  28          HD21      LEU  28   5.996   9.572  -3.443
  209   HD22  LEU  28          HD22      LEU  28   5.642   7.860  -3.683
  210   HD23  LEU  28          HD23      LEU  28   4.519   9.084  -4.275
  211    H    LEU  29           HN       LEU  29   7.394   5.367  -7.421
  212    HA   LEU  29           HA       LEU  29   9.986   6.258  -6.451
  213    HB2  LEU  29           HB2      LEU  29   8.908   3.463  -6.837
  214    HB3  LEU  29           HB1      LEU  29  10.374   3.892  -5.979
  215    HG   LEU  29           HG       LEU  29   7.594   4.688  -5.132
  216   HD11  LEU  29          HD11      LEU  29   7.895   3.021  -3.355
  217   HD12  LEU  29          HD12      LEU  29   9.414   2.520  -4.099
  218   HD13  LEU  29          HD13      LEU  29   7.892   2.289  -4.959
  219   HD21  LEU  29          HD21      LEU  29   9.212   6.274  -4.342
  220   HD22  LEU  29          HD22      LEU  29  10.284   4.980  -3.809
  221   HD23  LEU  29          HD23      LEU  29   8.742   5.238  -2.995
  222    H    ASN  30           HN       ASN  30   8.810   6.073  -9.412
  223    HA   ASN  30           HA       ASN  30   9.614   5.751 -11.508
  224    HB2  ASN  30           HB2      ASN  30  12.271   5.943 -10.071
  225    HB3  ASN  30           HB1      ASN  30  12.100   5.924 -11.819
  226   HD21  ASN  30          HD21      ASN  30  11.771   7.796  -8.936
  227   HD22  ASN  30          HD22      ASN  30  11.413   9.298  -9.711
  228    H    HIS  31           HN       HIS  31   8.974   3.454  -9.892
  229    HA   HIS  31           HA       HIS  31   8.991   1.199  -9.993
  230    HB2  HIS  31           HB2      HIS  31  10.493   1.721 -12.556
  231    HB3  HIS  31           HB1      HIS  31  10.051   0.103 -12.021
  232    HD1  HIS  31           HD1      HIS  31   7.575  -0.580 -12.219
  233    HD2  HIS  31           HD2      HIS  31   8.359   3.310 -13.464
  234    HE1  HIS  31           HE1      HIS  31   5.506   0.182 -13.427
  235    HE2  HIS  31           HE2      HIS  31   5.957   2.579 -14.054
  236    H    ARG  32           HN       ARG  32  11.273   2.686  -8.655
  237    HA   ARG  32           HA       ARG  32  13.497   0.919  -8.708
  238    HB2  ARG  32           HB2      ARG  32  12.478   2.904  -6.693
  239    HB3  ARG  32           HB1      ARG  32  13.797   1.823  -6.273
  240    HG2  ARG  32           HG2      ARG  32  15.074   2.699  -8.198
  241    HG3  ARG  32           HG1      ARG  32  13.768   3.845  -8.503
  242    HD2  ARG  32           HD2      ARG  32  14.140   4.963  -6.463
  243    HD3  ARG  32           HD1      ARG  32  15.163   3.665  -5.851
  244    HE   ARG  32           HE       ARG  32  16.308   4.729  -8.191
  245   HH11  ARG  32          HH11      ARG  32  15.639   5.678  -4.900
  246   HH12  ARG  32          HH12      ARG  32  17.068   6.652  -4.752
  247   HH21  ARG  32          HH21      ARG  32  18.187   6.017  -8.011
  248   HH22  ARG  32          HH22      ARG  32  18.521   6.843  -6.520
  249    H    ALA  33           HN       ALA  33  10.424   0.904  -7.143
  250    HA   ALA  33           HA       ALA  33  10.961  -1.812  -6.190
  251    HB1  ALA  33           HB1      ALA  33  10.895  -0.307  -4.261
  252    HB2  ALA  33           HB2      ALA  33   9.513  -1.403  -4.262
  253    HB3  ALA  33           HB3      ALA  33   9.309   0.275  -4.767
  254    H    HIS  34           HN       HIS  34   9.221  -3.243  -6.377
  255    HA   HIS  34           HA       HIS  34   7.139  -2.319  -8.243
  256    HB2  HIS  34           HB2      HIS  34   8.611  -4.103  -9.139
  257    HB3  HIS  34           HB1      HIS  34   8.183  -5.133  -7.773
  258    HD1  HIS  34           HD1      HIS  34   6.677  -3.617 -10.891
  259    HD2  HIS  34           HD2      HIS  34   5.810  -6.521  -8.040
  260    HE1  HIS  34           HE1      HIS  34   4.651  -4.831 -11.753
  261    HE2  HIS  34           HE2      HIS  34   4.032  -6.440  -9.917
  262    H    THR  35           HN       THR  35   5.000  -2.782  -7.816
  263    HA   THR  35           HA       THR  35   4.485  -3.629  -5.051
  264    HB   THR  35           HB       THR  35   2.385  -2.304  -5.244
  265    HG1  THR  35           HG1      THR  35   2.763  -0.655  -7.137
  266   HG21  THR  35          HG21      THR  35   4.523  -1.405  -4.289
  267   HG22  THR  35          HG22      THR  35   3.429  -0.173  -4.915
  268   HG23  THR  35          HG23      THR  35   4.841  -0.661  -5.854
  269    H    ASP  36           HN       ASP  36   2.918  -5.122  -4.638
  270    HA   ASP  36           HA       ASP  36   1.647  -6.404  -6.960
  271    HB2  ASP  36           HB2      ASP  36   3.572  -7.771  -6.309
  272    HB3  ASP  36           HB1      ASP  36   3.021  -7.792  -4.638
  273    H    VAL  37           HN       VAL  37  -0.480  -6.384  -6.742
  274    HA   VAL  37           HA       VAL  37  -1.664  -5.704  -4.205
  275    HB   VAL  37           HB       VAL  37  -2.990  -6.324  -6.849
  276   HG11  VAL  37          HG11      VAL  37  -4.519  -6.692  -5.007
  277   HG12  VAL  37          HG12      VAL  37  -4.958  -5.214  -5.864
  278   HG13  VAL  37          HG13      VAL  37  -4.110  -5.119  -4.321
  279   HG21  VAL  37          HG21      VAL  37  -3.258  -3.903  -7.045
  280   HG22  VAL  37          HG22      VAL  37  -1.556  -4.352  -6.958
  281   HG23  VAL  37          HG23      VAL  37  -2.363  -3.678  -5.542
  282    H    VAL  38           HN       VAL  38  -1.753  -7.262  -2.747
  283    HA   VAL  38           HA       VAL  38  -2.449  -9.989  -3.412
  284    HB   VAL  38           HB       VAL  38  -2.163  -8.668  -0.704
  285   HG11  VAL  38          HG11      VAL  38  -1.901 -10.946   0.150
  286   HG12  VAL  38          HG12      VAL  38  -2.236 -11.580  -1.462
  287   HG13  VAL  38          HG13      VAL  38  -3.484 -10.695  -0.586
  288   HG21  VAL  38          HG21      VAL  38  -0.170 -10.287  -2.278
  289   HG22  VAL  38          HG22      VAL  38   0.051  -9.701  -0.630
  290   HG23  VAL  38          HG23      VAL  38  -0.086  -8.554  -1.962
  291    H    GLY  39           HN       GLY  39  -4.507 -10.422  -3.905
  292    HA2  GLY  39           HA2      GLY  39  -6.671  -8.748  -3.038
  293    HA3  GLY  39           HA1      GLY  39  -6.808 -10.219  -3.992
  294    H    TYR  40           HN       TYR  40  -8.664  -9.736  -2.080
  295    HA   TYR  40           HA       TYR  40  -8.060 -10.810   0.468
  296    HB2  TYR  40           HB2      TYR  40 -10.082  -9.382  -0.155
  297    HB3  TYR  40           HB1      TYR  40 -10.777 -10.840  -0.866
  298    HD1  TYR  40           HD2      TYR  40 -11.497 -12.702   0.573
  299    HD2  TYR  40           HD1      TYR  40  -9.937  -9.109   2.240
  300    HE1  TYR  40           HE2      TYR  40 -12.365 -13.352   2.779
  301    HE2  TYR  40           HE1      TYR  40 -10.803  -9.756   4.450
  302    HH   TYR  40           HH       TYR  40 -12.453 -11.188   5.439
  303    H    GLY  41           HN       GLY  41  -7.676 -12.860   1.019
  304    HA2  GLY  41           HA2      GLY  41  -8.354 -14.939  -0.964
  305    HA3  GLY  41           HA1      GLY  41  -6.967 -15.001   0.118
  306    H    GLY  42           HN       GLY  42 -10.337 -15.625  -0.269
  307    HA2  GLY  42           HA2      GLY  42 -11.711 -17.069   0.869
  308    HA3  GLY  42           HA1      GLY  42 -10.302 -17.593   1.779
  309    H    HIS  43           HN       HIS  43  -9.817 -16.615   3.740
  310    HA   HIS  43           HA       HIS  43 -11.337 -14.409   4.756
  311    HB2  HIS  43           HB2      HIS  43 -12.925 -16.348   5.050
  312    HB3  HIS  43           HB1      HIS  43 -11.729 -17.098   6.105
  313    HD1  HIS  43           HD1      HIS  43 -11.965 -16.573   8.515
  314    HD2  HIS  43           HD2      HIS  43 -13.786 -13.708   6.112
  315    HE1  HIS  43           HE1      HIS  43 -13.092 -14.982  10.097
  316    HE2  HIS  43           HE2      HIS  43 -14.025 -13.162   8.627
  317    H    GLY  44           HN       GLY  44 -10.282 -13.468   6.497
  318    HA2  GLY  44           HA2      GLY  44  -8.678 -13.341   8.212
  319    HA3  GLY  44           HA1      GLY  44  -8.085 -14.926   7.746
  320    H    HIS  45           HN       HIS  45  -8.331 -13.514   4.906
  321    HA   HIS  45           HA       HIS  45  -5.650 -12.293   5.027
  322    HB2  HIS  45           HB2      HIS  45  -6.926 -13.870   2.778
  323    HB3  HIS  45           HB1      HIS  45  -5.415 -12.983   2.627
  324    HD1  HIS  45           HD1      HIS  45  -3.338 -13.954   3.841
  325    HD2  HIS  45           HD2      HIS  45  -6.752 -16.313   4.117
  326    HE1  HIS  45           HE1      HIS  45  -2.550 -16.198   4.651
  327    HE2  HIS  45           HE2      HIS  45  -4.649 -17.542   4.977
  328    HA   PRO  46           HA       PRO  46  -8.427  -8.911   3.679
  329    HB2  PRO  46           HB2      PRO  46  -6.415  -7.212   4.955
  330    HB3  PRO  46           HB1      PRO  46  -8.138  -7.370   5.326
  331    HG2  PRO  46           HG2      PRO  46  -6.197  -8.267   6.992
  332    HG3  PRO  46           HG1      PRO  46  -7.784  -9.050   6.862
  333    HD2  PRO  46           HD2      PRO  46  -5.171  -9.845   5.630
  334    HD3  PRO  46           HD1      PRO  46  -6.414 -10.861   6.391
  335    H    THR  47           HN       THR  47  -8.144  -7.457   2.003
  336    HA   THR  47           HA       THR  47  -6.097  -7.890   0.157
  337    HB   THR  47           HB       THR  47  -7.770  -5.377   0.362
  338    HG1  THR  47           HG1      THR  47  -9.060  -6.834  -1.225
  339   HG21  THR  47          HG21      THR  47  -7.578  -5.375  -2.092
  340   HG22  THR  47          HG22      THR  47  -6.577  -6.823  -2.017
  341   HG23  THR  47          HG23      THR  47  -5.989  -5.309  -1.329
  342    H    GLN  48           HN       GLN  48  -4.150  -6.949  -0.181
  343    HA   GLN  48           HA       GLN  48  -3.352  -4.577   1.273
  344    HB2  GLN  48           HB2      GLN  48  -1.469  -5.662   2.418
  345    HB3  GLN  48           HB1      GLN  48  -3.004  -6.317   2.964
  346    HG2  GLN  48           HG2      GLN  48  -2.655  -8.225   1.385
  347    HG3  GLN  48           HG1      GLN  48  -1.035  -7.598   1.086
  348   HE21  GLN  48          HE21      GLN  48  -0.784  -6.714   3.906
  349   HE22  GLN  48          HE22      GLN  48  -0.491  -8.154   4.814
  350    H    VAL  49           HN       VAL  49  -1.541  -3.586   0.348
  351    HA   VAL  49           HA       VAL  49  -0.582  -4.913  -2.094
  352    HB   VAL  49           HB       VAL  49  -1.697  -2.786  -2.543
  353   HG11  VAL  49          HG11      VAL  49  -0.707  -0.658  -1.811
  354   HG12  VAL  49          HG12      VAL  49   0.427  -1.550  -0.796
  355   HG13  VAL  49          HG13      VAL  49  -1.302  -1.618  -0.456
  356   HG21  VAL  49          HG21      VAL  49   0.122  -3.497  -3.997
  357   HG22  VAL  49          HG22      VAL  49   1.285  -2.654  -2.974
  358   HG23  VAL  49          HG23      VAL  49   0.070  -1.739  -3.868
  359    H    ARG  50           HN       ARG  50   1.385  -5.675  -2.075
  360    HA   ARG  50           HA       ARG  50   3.197  -4.793   0.042
  361    HB2  ARG  50           HB2      ARG  50   4.500  -6.855  -0.523
  362    HB3  ARG  50           HB1      ARG  50   2.876  -7.158   0.069
  363    HG2  ARG  50           HG2      ARG  50   2.123  -7.499  -2.252
  364    HG3  ARG  50           HG1      ARG  50   3.787  -7.272  -2.795
  365    HD2  ARG  50           HD2      ARG  50   4.511  -9.210  -1.583
  366    HD3  ARG  50           HD1      ARG  50   2.931  -9.383  -0.821
  367    HE   ARG  50           HE       ARG  50   2.385  -9.525  -3.488
  368   HH11  ARG  50          HH11      ARG  50   4.560 -11.265  -1.357
  369   HH12  ARG  50          HH12      ARG  50   4.479 -12.734  -2.274
  370   HH21  ARG  50          HH21      ARG  50   2.271 -11.435  -4.678
  371   HH22  ARG  50          HH22      ARG  50   3.178 -12.831  -4.177
  372    H    ILE  51           HN       ILE  51   5.050  -3.803  -0.320
  373    HA   ILE  51           HA       ILE  51   5.758  -3.200  -3.110
  374    HB   ILE  51           HB       ILE  51   6.664  -1.674  -0.662
  375   HG12  ILE  51          HG12      ILE  51   4.304  -1.050  -2.455
  376   HG13  ILE  51          HG11      ILE  51   4.195  -1.624  -0.795
  377   HG21  ILE  51          HG21      ILE  51   7.140   0.097  -2.278
  378   HG22  ILE  51          HG22      ILE  51   6.549  -0.927  -3.585
  379   HG23  ILE  51          HG23      ILE  51   8.000  -1.387  -2.693
  380   HD11  ILE  51          HD11      ILE  51   5.273   0.406  -0.014
  381   HD12  ILE  51          HD12      ILE  51   3.830   0.777  -0.955
  382   HD13  ILE  51          HD13      ILE  51   5.429   0.974  -1.673
  383    H    VAL  52           HN       VAL  52   7.392  -4.399  -3.797
  384    HA   VAL  52           HA       VAL  52   9.481  -5.181  -1.871
  385    HB   VAL  52           HB       VAL  52   8.727  -6.694  -4.381
  386   HG11  VAL  52          HG11      VAL  52  10.038  -8.505  -3.405
  387   HG12  VAL  52          HG12      VAL  52  10.414  -7.497  -2.011
  388   HG13  VAL  52          HG13      VAL  52  11.016  -7.053  -3.608
  389   HG21  VAL  52          HG21      VAL  52   7.616  -8.324  -2.926
  390   HG22  VAL  52          HG22      VAL  52   6.841  -6.742  -2.845
  391   HG23  VAL  52          HG23      VAL  52   7.899  -7.273  -1.538
  392    H    ALA  53           HN       ALA  53  11.566  -4.765  -2.414
  393    HA   ALA  53           HA       ALA  53  11.991  -3.338  -4.952
  394    HB1  ALA  53           HB1      ALA  53  13.906  -2.285  -3.904
  395    HB2  ALA  53           HB2      ALA  53  13.671  -3.252  -2.451
  396    HB3  ALA  53           HB3      ALA  53  12.468  -2.048  -2.913
  397    HA   PRO  54           HA       PRO  54  14.389  -7.102  -5.748
  398    HB2  PRO  54           HB2      PRO  54  13.952  -7.213  -8.396
  399    HB3  PRO  54           HB1      PRO  54  12.707  -7.701  -7.234
  400    HG2  PRO  54           HG2      PRO  54  12.949  -5.182  -8.812
  401    HG3  PRO  54           HG1      PRO  54  11.498  -6.102  -8.383
  402    HD2  PRO  54           HD2      PRO  54  12.409  -3.816  -7.077
  403    HD3  PRO  54           HD1      PRO  54  11.255  -4.988  -6.414
  404    H    HIS  55           HN       HIS  55  15.939  -7.434  -7.827
  405    HA   HIS  55           HA       HIS  55  17.973  -6.926  -8.685
  406    HB2  HIS  55           HB2      HIS  55  16.445  -5.351  -9.995
  407    HB3  HIS  55           HB1      HIS  55  16.987  -4.076  -8.908
  408    HD1  HIS  55           HD1      HIS  55  19.473  -3.298  -9.142
  409    HD2  HIS  55           HD2      HIS  55  18.274  -6.118 -11.950
  410    HE1  HIS  55           HE1      HIS  55  21.247  -3.284 -10.917
  411    HE2  HIS  55           HE2      HIS  55  20.602  -5.134 -12.491
  412    H    ALA  56           HN       ALA  56  17.999  -7.087  -6.012
  413    HA   ALA  56           HA       ALA  56  19.271  -4.792  -4.826
  414    HB1  ALA  56           HB1      ALA  56  19.049  -7.616  -3.789
  415    HB2  ALA  56           HB2      ALA  56  17.887  -6.325  -3.492
  416    HB3  ALA  56           HB3      ALA  56  19.527  -6.197  -2.862
  417    H    GLU  57           HN       GLU  57  20.972  -4.505  -6.342
  418    HA   GLU  57           HA       GLU  57  22.996  -6.627  -6.480
  419    HB2  GLU  57           HB2      GLU  57  21.950  -5.369  -8.527
  420    HB3  GLU  57           HB1      GLU  57  23.058  -4.083  -8.077
  421    HG2  GLU  57           HG2      GLU  57  24.123  -5.344  -9.757
  422    HG3  GLU  57           HG1      GLU  57  24.915  -5.763  -8.238
  423    H    HIS  58           HN       HIS  58  22.519  -3.251  -5.630
  424    HA   HIS  58           HA       HIS  58  25.291  -3.077  -4.672
  425    HB2  HIS  58           HB2      HIS  58  24.572  -1.342  -6.280
  426    HB3  HIS  58           HB1      HIS  58  23.280  -0.865  -5.184
  427    HD1  HIS  58           HD1      HIS  58  23.826   0.967  -3.610
  428    HD2  HIS  58           HD2      HIS  58  27.244  -0.897  -5.068
  429    HE1  HIS  58           HE1      HIS  58  25.755   2.313  -2.730
  430    HE2  HIS  58           HE2      HIS  58  27.813   1.074  -3.494
  431    H    VAL  59           HN       VAL  59  24.658  -4.422  -2.821
  432    HA   VAL  59           HA       VAL  59  23.235  -2.848  -0.778
  433    HB   VAL  59           HB       VAL  59  23.288  -5.862  -0.954
  434   HG11  VAL  59          HG11      VAL  59  23.084  -5.039   1.318
  435   HG12  VAL  59          HG12      VAL  59  21.552  -5.731   0.786
  436   HG13  VAL  59          HG13      VAL  59  21.760  -3.981   0.839
  437   HG21  VAL  59          HG21      VAL  59  20.901  -5.669  -1.549
  438   HG22  VAL  59          HG22      VAL  59  21.964  -4.982  -2.777
  439   HG23  VAL  59          HG23      VAL  59  21.093  -3.920  -1.669
  440    H    ARG  60           HN       ARG  60  24.958  -1.985   0.269
  441    HA   ARG  60           HA       ARG  60  26.565  -3.919   1.783
  442    HB2  ARG  60           HB2      ARG  60  28.011  -2.821   0.084
  443    HB3  ARG  60           HB1      ARG  60  27.570  -1.252   0.744
  444    HG2  ARG  60           HG2      ARG  60  28.559  -1.932   2.910
  445    HG3  ARG  60           HG1      ARG  60  29.088  -3.434   2.153
  446    HD2  ARG  60           HD2      ARG  60  29.879  -0.682   1.218
  447    HD3  ARG  60           HD1      ARG  60  30.854  -1.691   2.284
  448    HE   ARG  60           HE       ARG  60  30.300  -3.212   0.041
  449   HH11  ARG  60          HH11      ARG  60  31.969  -0.232   0.790
  450   HH12  ARG  60          HH12      ARG  60  33.100  -0.389  -0.516
  451   HH21  ARG  60          HH21      ARG  60  31.794  -3.434  -1.664
  452   HH22  ARG  60          HH22      ARG  60  32.999  -2.210  -1.915
  453    H    GLY  61           HN       GLY  61  24.753  -3.645   3.246
  454    HA2  GLY  61           HA2      GLY  61  25.343  -1.831   5.332
  455    HA3  GLY  61           HA1      GLY  61  23.962  -1.241   4.414
  456    H    TYR  62           HN       TYR  62  21.991  -2.283   4.583
  457    HA   TYR  62           HA       TYR  62  21.832  -4.309   6.701
  458    HB2  TYR  62           HB2      TYR  62  19.559  -2.837   5.329
  459    HB3  TYR  62           HB1      TYR  62  19.440  -3.851   6.763
  460    HD1  TYR  62           HD2      TYR  62  20.840  -3.063   8.824
  461    HD2  TYR  62           HD1      TYR  62  19.765  -0.523   5.579
  462    HE1  TYR  62           HE2      TYR  62  21.195  -1.094  10.253
  463    HE2  TYR  62           HE1      TYR  62  20.125   1.452   7.000
  464    HH   TYR  62           HH       TYR  62  20.246   2.082   9.285
  465    H    ALA  63           HN       ALA  63  21.577  -6.393   6.163
  466    HA   ALA  63           HA       ALA  63  21.311  -7.092   3.373
  467    HB1  ALA  63           HB1      ALA  63  21.643  -8.886   5.772
  468    HB2  ALA  63           HB2      ALA  63  22.956  -8.218   4.803
  469    HB3  ALA  63           HB3      ALA  63  21.816  -9.354   4.081
  470    H    HIS  64           HN       HIS  64  18.992  -5.912   4.196
  471    HA   HIS  64           HA       HIS  64  17.115  -8.144   3.945
  472    HB2  HIS  64           HB2      HIS  64  16.936  -5.908   5.962
  473    HB3  HIS  64           HB1      HIS  64  15.506  -6.781   5.420
  474    HD1  HIS  64           HD1      HIS  64  15.074  -9.058   6.424
  475    HD2  HIS  64           HD2      HIS  64  18.796  -7.520   7.454
  476    HE1  HIS  64           HE1      HIS  64  15.968 -10.584   8.207
  477    HE2  HIS  64           HE2      HIS  64  18.270  -9.709   8.723
  478    HA   PRO  65           HA       PRO  65  16.048  -5.394   0.558
  479    HB2  PRO  65           HB2      PRO  65  14.285  -7.119  -0.593
  480    HB3  PRO  65           HB1      PRO  65  16.034  -7.239  -0.809
  481    HG2  PRO  65           HG2      PRO  65  14.242  -8.764   1.037
  482    HG3  PRO  65           HG1      PRO  65  15.588  -9.352   0.042
  483    HD2  PRO  65           HD2      PRO  65  15.841  -8.885   2.687
  484    HD3  PRO  65           HD1      PRO  65  17.180  -8.636   1.549
  485    H    LEU  66           HN       LEU  66  14.276  -4.123   0.082
  486    HA   LEU  66           HA       LEU  66  12.439  -3.609   2.136
  487    HB2  LEU  66           HB2      LEU  66  12.969  -1.829   0.693
  488    HB3  LEU  66           HB1      LEU  66  12.596  -2.767  -0.740
  489    HG   LEU  66           HG       LEU  66  10.183  -2.713  -0.067
  490   HD11  LEU  66          HD11      LEU  66  11.173  -0.719   1.963
  491   HD12  LEU  66          HD12      LEU  66  10.437  -2.285   2.305
  492   HD13  LEU  66          HD13      LEU  66   9.483  -1.011   1.548
  493   HD21  LEU  66          HD21      LEU  66  11.068  -1.210  -1.755
  494   HD22  LEU  66          HD22      LEU  66  11.537  -0.058  -0.505
  495   HD23  LEU  66          HD23      LEU  66   9.831  -0.406  -0.791
  496    H    ASN  67           HN       ASN  67  10.727  -4.709   2.727
  497    HA   ASN  67           HA       ASN  67   8.888  -5.689   0.684
  498    HB2  ASN  67           HB2      ASN  67  10.343  -7.630   1.450
  499    HB3  ASN  67           HB1      ASN  67   9.626  -7.429   3.049
  500   HD21  ASN  67          HD21      ASN  67   7.380  -7.836   3.303
  501   HD22  ASN  67          HD22      ASN  67   6.522  -8.839   2.183
  502    H    LEU  68           HN       LEU  68   7.435  -4.149   1.168
  503    HA   LEU  68           HA       LEU  68   6.563  -3.890   3.970
  504    HB2  LEU  68           HB2      LEU  68   7.455  -1.822   3.159
  505    HB3  LEU  68           HB1      LEU  68   6.552  -1.946   1.663
  506    HG   LEU  68           HG       LEU  68   4.452  -1.600   2.937
  507   HD11  LEU  68          HD11      LEU  68   5.146  -2.422   5.103
  508   HD12  LEU  68          HD12      LEU  68   4.602  -0.750   5.231
  509   HD13  LEU  68          HD13      LEU  68   6.327  -1.120   5.242
  510   HD21  LEU  68          HD21      LEU  68   4.786   0.773   3.327
  511   HD22  LEU  68          HD22      LEU  68   5.606   0.263   1.854
  512   HD23  LEU  68          HD23      LEU  68   6.532   0.543   3.327
  513    H    ALA  69           HN       ALA  69   4.524  -4.375   4.482
  514    HA   ALA  69           HA       ALA  69   2.630  -4.857   2.271
  515    HB1  ALA  69           HB1      ALA  69   2.589  -6.032   5.048
  516    HB2  ALA  69           HB2      ALA  69   3.162  -6.853   3.597
  517    HB3  ALA  69           HB3      ALA  69   1.463  -6.401   3.743
  518    H    LEU  70           HN       LEU  70   1.254  -3.260   2.024
  519    HA   LEU  70           HA       LEU  70   0.432  -1.668   4.345
  520    HB2  LEU  70           HB2      LEU  70   0.242  -1.134   1.378
  521    HB3  LEU  70           HB1      LEU  70  -0.405  -0.068   2.610
  522    HG   LEU  70           HG       LEU  70   2.523  -0.774   2.395
  523   HD11  LEU  70          HD11      LEU  70   1.798   0.367   0.376
  524   HD12  LEU  70          HD12      LEU  70   2.807   1.417   1.371
  525   HD13  LEU  70          HD13      LEU  70   1.057   1.637   1.349
  526   HD21  LEU  70          HD21      LEU  70   2.789   1.234   3.794
  527   HD22  LEU  70          HD22      LEU  70   1.845  -0.016   4.601
  528   HD23  LEU  70          HD23      LEU  70   1.036   1.382   3.891
  529    H    THR  71           HN       THR  71  -1.398  -2.308   5.256
  530    HA   THR  71           HA       THR  71  -3.668  -2.765   3.436
  531    HB   THR  71           HB       THR  71  -2.965  -4.916   4.493
  532    HG1  THR  71           HG1      THR  71  -5.075  -4.903   3.920
  533   HG21  THR  71          HG21      THR  71  -3.820  -3.553   7.049
  534   HG22  THR  71          HG22      THR  71  -2.195  -4.108   6.650
  535   HG23  THR  71          HG23      THR  71  -3.495  -5.278   6.876
  536    H    TRP  72           HN       TRP  72  -5.725  -2.090   4.228
  537    HA   TRP  72           HA       TRP  72  -5.507   0.029   6.260
  538    HB2  TRP  72           HB2      TRP  72  -6.931   0.105   3.591
  539    HB3  TRP  72           HB1      TRP  72  -7.197   1.296   4.866
  540    HD1  TRP  72           HD1      TRP  72  -5.277   3.084   5.300
  541    HE1  TRP  72           HE1      TRP  72  -3.240   3.819   3.914
  542    HE3  TRP  72           HE3      TRP  72  -5.132  -0.769   1.940
  543    HZ2  TRP  72           HZ2      TRP  72  -1.772   2.903   1.690
  544    HZ3  TRP  72           HZ3      TRP  72  -3.378  -0.761   0.213
  545    HH2  TRP  72           HH2      TRP  72  -1.734   1.041   0.095
  546    H    ASN  73           HN       ASN  73  -7.346   0.502   7.451
  547    HA   ASN  73           HA       ASN  73  -8.812  -1.671   8.377
  548    HB2  ASN  73           HB2      ASN  73  -9.292   1.302   8.611
  549    HB3  ASN  73           HB1      ASN  73 -10.255   0.104   9.472
  550   HD21  ASN  73          HD21      ASN  73  -8.410   2.233  10.427
  551   HD22  ASN  73          HD22      ASN  73  -7.268   1.414  11.439
  552    H    THR  74           HN       THR  74 -10.652  -2.606   7.812
  553    HA   THR  74           HA       THR  74 -11.691  -2.257   5.240
  554    HB   THR  74           HB       THR  74 -13.111  -3.639   7.517
  555    HG1  THR  74           HG1      THR  74 -10.725  -4.225   6.221
  556   HG21  THR  74          HG21      THR  74 -14.369  -3.443   5.404
  557   HG22  THR  74          HG22      THR  74 -13.941  -5.116   5.760
  558   HG23  THR  74          HG23      THR  74 -13.033  -4.215   4.549
  559    H    ASP  75           HN       ASP  75 -12.679  -0.889   8.316
  560    HA   ASP  75           HA       ASP  75 -15.203   0.087   7.671
  561    HB2  ASP  75           HB2      ASP  75 -13.058   1.408   9.357
  562    HB3  ASP  75           HB1      ASP  75 -14.764   1.837   9.366
  563    H    GLU  76           HN       GLU  76 -12.065   1.675   7.329
  564    HA   GLU  76           HA       GLU  76 -12.813   3.953   5.956
  565    HB2  GLU  76           HB2      GLU  76 -10.311   2.316   5.499
  566    HB3  GLU  76           HB1      GLU  76 -10.532   4.004   5.067
  567    HG2  GLU  76           HG2      GLU  76 -10.665   2.961   7.881
  568    HG3  GLU  76           HG1      GLU  76  -9.213   3.621   7.133
  569    H    ILE  77           HN       ILE  77 -11.993   0.767   4.657
  570    HA   ILE  77           HA       ILE  77 -12.160   1.371   1.934
  571    HB   ILE  77           HB       ILE  77 -12.813  -1.256   3.282
  572   HG12  ILE  77          HG12      ILE  77 -10.187  -0.185   2.206
  573   HG13  ILE  77          HG11      ILE  77 -10.583  -0.461   3.900
  574   HG21  ILE  77          HG21      ILE  77 -12.241  -2.275   1.134
  575   HG22  ILE  77          HG22      ILE  77 -11.989  -0.675   0.439
  576   HG23  ILE  77          HG23      ILE  77 -13.597  -1.160   0.969
  577   HD11  ILE  77          HD11      ILE  77 -10.738  -2.859   3.476
  578   HD12  ILE  77          HD12      ILE  77  -9.159  -2.223   3.015
  579   HD13  ILE  77          HD13      ILE  77 -10.361  -2.584   1.775
  580    H    GLU  78           HN       GLU  78 -14.664   0.265   4.174
  581    HA   GLU  78           HA       GLU  78 -16.758  -0.041   2.337
  582    HB2  GLU  78           HB2      GLU  78 -16.839  -0.915   4.618
  583    HB3  GLU  78           HB1      GLU  78 -16.822   0.716   5.265
  584    HG2  GLU  78           HG2      GLU  78 -19.038  -0.188   5.389
  585    HG3  GLU  78           HG1      GLU  78 -19.000   1.138   4.233
  586    H    ARG  79           HN       ARG  79 -15.638   2.793   4.131
  587    HA   ARG  79           HA       ARG  79 -17.769   4.491   3.345
  588    HB2  ARG  79           HB2      ARG  79 -16.310   4.936   5.305
  589    HB3  ARG  79           HB1      ARG  79 -14.978   5.277   4.209
  590    HG2  ARG  79           HG2      ARG  79 -15.943   7.344   4.978
  591    HG3  ARG  79           HG1      ARG  79 -16.272   7.148   3.256
  592    HD2  ARG  79           HD2      ARG  79 -18.524   6.268   3.853
  593    HD3  ARG  79           HD1      ARG  79 -18.180   6.647   5.539
  594    HE   ARG  79           HE       ARG  79 -17.930   8.862   3.671
  595   HH11  ARG  79          HH11      ARG  79 -19.975   7.171   5.964
  596   HH12  ARG  79          HH12      ARG  79 -21.071   8.499   6.155
  597   HH21  ARG  79          HH21      ARG  79 -19.382  10.591   3.896
  598   HH22  ARG  79          HH22      ARG  79 -20.738  10.450   4.978
  599    H    LEU  80           HN       LEU  80 -14.813   3.517   1.803
  600    HA   LEU  80           HA       LEU  80 -14.479   5.676   0.019
  601    HB2  LEU  80           HB2      LEU  80 -13.731   2.781  -0.399
  602    HB3  LEU  80           HB1      LEU  80 -13.121   4.140  -1.322
  603    HG   LEU  80           HG       LEU  80 -12.581   3.535   1.588
  604   HD11  LEU  80          HD11      LEU  80 -11.340   2.167  -0.021
  605   HD12  LEU  80          HD12      LEU  80 -10.281   3.278   0.846
  606   HD13  LEU  80          HD13      LEU  80 -10.759   3.631  -0.814
  607   HD21  LEU  80          HD21      LEU  80 -11.066   5.493   1.502
  608   HD22  LEU  80          HD22      LEU  80 -12.767   5.932   1.350
  609   HD23  LEU  80          HD23      LEU  80 -11.733   5.904  -0.078
  610    H    MET  81           HN       MET  81 -16.865   3.261   0.130
  611    HA   MET  81           HA       MET  81 -17.372   3.134  -2.694
  612    HB2  MET  81           HB2      MET  81 -18.991   2.174  -0.335
  613    HB3  MET  81           HB1      MET  81 -19.367   1.822  -2.014
  614    HG2  MET  81           HG2      MET  81 -17.316   0.580  -2.260
  615    HG3  MET  81           HG1      MET  81 -16.815   1.031  -0.627
  616    HE1  MET  81           HE1      MET  81 -20.459  -1.683  -1.470
  617    HE2  MET  81           HE2      MET  81 -19.522  -0.892  -2.738
  618    HE3  MET  81           HE3      MET  81 -20.511   0.071  -1.638
  619    H    GLU  82           HN       GLU  82 -17.835   5.621  -0.653
  620    HA   GLU  82           HA       GLU  82 -20.308   6.438  -2.030
  621    HB2  GLU  82           HB2      GLU  82 -19.357   7.169   0.749
  622    HB3  GLU  82           HB1      GLU  82 -20.740   7.911  -0.043
  623    HG2  GLU  82           HG2      GLU  82 -21.804   5.690  -0.178
  624    HG3  GLU  82           HG1      GLU  82 -20.440   5.014   0.705
  625    H    ALA  83           HN       ALA  83 -20.499   8.958  -2.003
  626    HA   ALA  83           HA       ALA  83 -18.639   9.907  -3.810
  627    HB1  ALA  83           HB1      ALA  83 -20.875  10.839  -3.571
  628    HB2  ALA  83           HB2      ALA  83 -19.649  12.105  -3.498
  629    HB3  ALA  83           HB3      ALA  83 -20.426  11.544  -2.019
  630    H    ASP  84           HN       ASP  84 -18.915  11.112  -0.428
  631    HA   ASP  84           HA       ASP  84 -16.437  12.491  -0.594
  632    HB2  ASP  84           HB2      ASP  84 -16.617  12.780   1.864
  633    HB3  ASP  84           HB1      ASP  84 -18.089  13.249   1.026
  634    H    GLY  85           HN       GLY  85 -17.163   9.240  -0.243
  635    HA2  GLY  85           HA2      GLY  85 -14.925   8.466   1.376
  636    HA3  GLY  85           HA1      GLY  85 -15.923   7.402   0.382
  637    H    ALA  86           HN       ALA  86 -15.640   8.221  -2.122
  638    HA   ALA  86           HA       ALA  86 -13.059   7.554  -2.929
  639    HB1  ALA  86           HB1      ALA  86 -13.754   8.297  -5.149
  640    HB2  ALA  86           HB2      ALA  86 -15.158   9.099  -4.443
  641    HB3  ALA  86           HB3      ALA  86 -15.017   7.342  -4.372
  642    H    ALA  87           HN       ALA  87 -14.511  10.621  -2.129
  643    HA   ALA  87           HA       ALA  87 -12.494  12.314  -3.142
  644    HB1  ALA  87           HB1      ALA  87 -14.743  13.082  -2.450
  645    HB2  ALA  87           HB2      ALA  87 -13.438  14.024  -1.732
  646    HB3  ALA  87           HB3      ALA  87 -14.284  12.814  -0.768
  647    H    ARG  88           HN       ARG  88 -12.806  10.477  -0.176
  648    HA   ARG  88           HA       ARG  88 -10.596  11.659   1.191
  649    HB2  ARG  88           HB2      ARG  88 -11.902   8.945   1.488
  650    HB3  ARG  88           HB1      ARG  88 -10.664   9.565   2.569
  651    HG2  ARG  88           HG2      ARG  88 -13.331  10.886   2.113
  652    HG3  ARG  88           HG1      ARG  88 -12.974   9.779   3.440
  653    HD2  ARG  88           HD2      ARG  88 -11.657  12.438   2.900
  654    HD3  ARG  88           HD1      ARG  88 -12.783  12.064   4.203
  655    HE   ARG  88           HE       ARG  88 -10.046  11.005   3.966
  656   HH11  ARG  88          HH11      ARG  88 -12.861  11.766   5.901
  657   HH12  ARG  88          HH12      ARG  88 -12.067  11.441   7.405
  658   HH21  ARG  88          HH21      ARG  88  -9.002  10.583   5.921
  659   HH22  ARG  88          HH22      ARG  88  -9.862  10.756   7.426
  660    H    PHE  89           HN       PHE  89 -11.039   8.999  -1.025
  661    HA   PHE  89           HA       PHE  89  -8.485   7.847  -0.856
  662    HB2  PHE  89           HB2      PHE  89 -10.390   6.715  -1.901
  663    HB3  PHE  89           HB1      PHE  89 -10.427   7.928  -3.178
  664    HD1  PHE  89           HD2      PHE  89  -8.174   5.375  -1.664
  665    HD2  PHE  89           HD1      PHE  89  -9.308   7.524  -5.157
  666    HE1  PHE  89           HE2      PHE  89  -6.630   4.017  -2.996
  667    HE2  PHE  89           HE1      PHE  89  -7.765   6.162  -6.494
  668    HZ   PHE  89           HZ       PHE  89  -6.473   4.372  -5.434
  669    H    GLU  90           HN       GLU  90  -9.765  10.393  -2.979
  670    HA   GLU  90           HA       GLU  90  -7.415  10.708  -4.529
  671    HB2  GLU  90           HB2      GLU  90  -9.619  12.692  -3.912
  672    HB3  GLU  90           HB1      GLU  90  -8.378  12.930  -5.132
  673    HG2  GLU  90           HG2      GLU  90 -10.439  10.736  -5.136
  674    HG3  GLU  90           HG1      GLU  90 -10.500  12.209  -6.098
  675    H    ARG  91           HN       ARG  91  -8.603  12.223  -1.595
  676    HA   ARG  91           HA       ARG  91  -6.636  14.216  -1.330
  677    HB2  ARG  91           HB2      ARG  91  -8.805  14.162  -0.119
  678    HB3  ARG  91           HB1      ARG  91  -8.218  12.808   0.830
  679    HG2  ARG  91           HG2      ARG  91  -8.070  14.819   2.125
  680    HG3  ARG  91           HG1      ARG  91  -6.444  14.257   1.744
  681    HD2  ARG  91           HD2      ARG  91  -7.773  16.256  -0.031
  682    HD3  ARG  91           HD1      ARG  91  -7.069  16.783   1.494
  683    HE   ARG  91           HE       ARG  91  -4.995  15.540   0.529
  684   HH11  ARG  91          HH11      ARG  91  -7.305  17.416  -1.317
  685   HH12  ARG  91          HH12      ARG  91  -6.122  17.991  -2.446
  686   HH21  ARG  91          HH21      ARG  91  -3.435  16.323  -0.943
  687   HH22  ARG  91          HH22      ARG  91  -3.925  17.376  -2.232
  688    H    TYR  92           HN       TYR  92  -6.745  10.843  -0.431
  689    HA   TYR  92           HA       TYR  92  -4.401  10.948   1.219
  690    HB2  TYR  92           HB2      TYR  92  -6.243   9.272   1.524
  691    HB3  TYR  92           HB1      TYR  92  -5.745   8.519   0.013
  692    HD1  TYR  92           HD1      TYR  92  -4.370   9.487   3.350
  693    HD2  TYR  92           HD2      TYR  92  -4.210   6.793   0.060
  694    HE1  TYR  92           HE1      TYR  92  -2.750   8.100   4.574
  695    HE2  TYR  92           HE2      TYR  92  -2.590   5.399   1.275
  696    HH   TYR  92           HH       TYR  92  -1.028   5.513   3.048
  697    H    LEU  93           HN       LEU  93  -5.104  10.194  -2.140
  698    HA   LEU  93           HA       LEU  93  -2.682   8.942  -2.798
  699    HB2  LEU  93           HB2      LEU  93  -4.537  10.591  -4.514
  700    HB3  LEU  93           HB1      LEU  93  -3.186   9.663  -5.142
  701    HG   LEU  93           HG       LEU  93  -5.576   8.508  -3.703
  702   HD11  LEU  93          HD11      LEU  93  -6.174   7.611  -5.900
  703   HD12  LEU  93          HD12      LEU  93  -4.825   8.489  -6.620
  704   HD13  LEU  93          HD13      LEU  93  -6.166   9.375  -5.892
  705   HD21  LEU  93          HD21      LEU  93  -3.656   7.123  -3.313
  706   HD22  LEU  93          HD22      LEU  93  -3.195   7.204  -5.014
  707   HD23  LEU  93          HD23      LEU  93  -4.661   6.345  -4.536
  708    H    ALA  94           HN       ALA  94  -3.625  12.352  -2.889
  709    HA   ALA  94           HA       ALA  94  -1.144  13.266  -3.923
  710    HB1  ALA  94           HB1      ALA  94  -3.227  14.776  -2.349
  711    HB2  ALA  94           HB2      ALA  94  -3.192  14.582  -4.102
  712    HB3  ALA  94           HB3      ALA  94  -1.918  15.492  -3.289
  713    H    ALA  95           HN       ALA  95  -2.096  12.185  -0.835
  714    HA   ALA  95           HA       ALA  95  -0.020  13.692   0.561
  715    HB1  ALA  95           HB1      ALA  95  -2.112  11.796   1.618
  716    HB2  ALA  95           HB2      ALA  95  -2.213  13.558   1.611
  717    HB3  ALA  95           HB3      ALA  95  -0.995  12.746   2.597
  718    H    LEU  96           HN       LEU  96  -0.260  10.847  -1.121
  719    HA   LEU  96           HA       LEU  96   0.967   8.897   0.362
  720    HB2  LEU  96           HB2      LEU  96   1.232   9.496  -2.571
  721    HB3  LEU  96           HB1      LEU  96   1.956   8.084  -1.831
  722    HG   LEU  96           HG       LEU  96  -0.995   8.698  -1.797
  723   HD11  LEU  96          HD11      LEU  96  -1.199   6.945  -3.472
  724   HD12  LEU  96          HD12      LEU  96   0.554   6.755  -3.504
  725   HD13  LEU  96          HD13      LEU  96  -0.181   8.257  -4.062
  726   HD21  LEU  96          HD21      LEU  96  -0.348   7.326   0.079
  727   HD22  LEU  96          HD22      LEU  96   0.575   6.258  -0.976
  728   HD23  LEU  96          HD23      LEU  96  -1.182   6.326  -1.110
  729    HA   PRO  97           HA       PRO  97   5.410  10.635  -0.995
  730    HB2  PRO  97           HB2      PRO  97   5.310  13.428  -0.793
  731    HB3  PRO  97           HB1      PRO  97   5.460  12.498  -2.287
  732    HG2  PRO  97           HG2      PRO  97   3.027  13.687  -1.028
  733    HG3  PRO  97           HG1      PRO  97   3.460  13.566  -2.744
  734    HD2  PRO  97           HD2      PRO  97   1.645  11.933  -1.681
  735    HD3  PRO  97           HD1      PRO  97   2.820  11.327  -2.870
  736    H    ARG  98           HN       ARG  98   3.225  12.481   1.097
  737    HA   ARG  98           HA       ARG  98   5.206  12.988   3.099
  738    HB2  ARG  98           HB2      ARG  98   3.328  14.503   2.853
  739    HB3  ARG  98           HB1      ARG  98   2.193  13.206   3.202
  740    HG2  ARG  98           HG2      ARG  98   3.077  13.033   5.468
  741    HG3  ARG  98           HG1      ARG  98   4.232  14.320   5.118
  742    HD2  ARG  98           HD2      ARG  98   2.490  15.916   4.849
  743    HD3  ARG  98           HD1      ARG  98   1.256  14.660   4.881
  744    HE   ARG  98           HE       ARG  98   2.805  14.698   7.274
  745   HH11  ARG  98          HH11      ARG  98   0.153  16.265   5.627
  746   HH12  ARG  98          HH12      ARG  98  -0.587  16.837   7.088
  747   HH21  ARG  98          HH21      ARG  98   1.835  15.416   9.204
  748   HH22  ARG  98          HH22      ARG  98   0.359  16.324   9.133
  749    H    LYS  99           HN       LYS  99   2.729  10.554   2.625
  750    HA   LYS  99           HA       LYS  99   2.970   9.377   5.220
  751    HB2  LYS  99           HB2      LYS  99   1.660   8.643   2.646
  752    HB3  LYS  99           HB1      LYS  99   1.971   7.354   3.791
  753    HG2  LYS  99           HG2      LYS  99  -0.291   8.227   4.009
  754    HG3  LYS  99           HG1      LYS  99   0.647   8.498   5.476
  755    HD2  LYS  99           HD2      LYS  99   0.939  10.806   4.955
  756    HD3  LYS  99           HD1      LYS  99   0.284  10.582   3.332
  757    HE2  LYS  99           HE2      LYS  99  -1.344  11.632   4.829
  758    HE3  LYS  99           HE1      LYS  99  -1.900  10.060   4.263
  759    HZ1  LYS  99           HZ1      LYS  99  -2.347  10.296   6.596
  760    HZ2  LYS  99           HZ2      LYS  99  -0.727  10.661   6.923
  761    HZ3  LYS  99           HZ3      LYS  99  -1.150   9.115   6.390
  762    H    LEU 100           HN       LEU 100   4.356   8.818   2.062
  763    HA   LEU 100           HA       LEU 100   5.730   6.443   2.581
  764    HB2  LEU 100           HB2      LEU 100   5.315   7.465   0.339
  765    HB3  LEU 100           HB1      LEU 100   6.529   8.671   0.709
  766    HG   LEU 100           HG       LEU 100   8.189   6.785   0.925
  767   HD11  LEU 100          HD11      LEU 100   7.600   4.682  -0.207
  768   HD12  LEU 100          HD12      LEU 100   5.927   5.228  -0.311
  769   HD13  LEU 100          HD13      LEU 100   6.669   4.945   1.264
  770   HD21  LEU 100          HD21      LEU 100   6.854   7.119  -1.755
  771   HD22  LEU 100          HD22      LEU 100   8.511   6.588  -1.465
  772   HD23  LEU 100          HD23      LEU 100   8.029   8.233  -1.053
  773    H    ALA 101           HN       ALA 101   6.837   9.815   2.696
  774    HA   ALA 101           HA       ALA 101   9.448   9.305   3.569
  775    HB1  ALA 101           HB1      ALA 101   7.763  11.741   4.141
  776    HB2  ALA 101           HB2      ALA 101   8.678  11.461   2.658
  777    HB3  ALA 101           HB3      ALA 101   9.524  11.643   4.196
  778    H    ALA 102           HN       ALA 102   6.424   9.564   5.300
  779    HA   ALA 102           HA       ALA 102   7.508   9.760   7.907
  780    HB1  ALA 102           HB1      ALA 102   5.217  10.406   7.408
  781    HB2  ALA 102           HB2      ALA 102   5.255   9.162   8.657
  782    HB3  ALA 102           HB3      ALA 102   4.820   8.737   7.002
  783    H    TRP 103           HN       TRP 103   6.286   7.004   6.012
  784    HA   TRP 103           HA       TRP 103   6.721   5.058   7.997
  785    HB2  TRP 103           HB2      TRP 103   6.608   4.797   4.982
  786    HB3  TRP 103           HB1      TRP 103   6.677   3.419   6.081
  787    HD1  TRP 103           HD1      TRP 103   4.560   4.463   8.250
  788    HE1  TRP 103           HE1      TRP 103   2.063   4.529   7.633
  789    HE3  TRP 103           HE3      TRP 103   4.993   4.477   3.163
  790    HZ2  TRP 103           HZ2      TRP 103   0.489   4.583   5.292
  791    HZ3  TRP 103           HZ3      TRP 103   2.945   4.535   1.806
  792    HH2  TRP 103           HH2      TRP 103   0.738   4.587   2.851
  793    H    GLU 104           HN       GLU 104   8.811   6.367   5.483
  794    HA   GLU 104           HA       GLU 104  10.918   4.542   5.730
  795    HB2  GLU 104           HB2      GLU 104  11.009   7.471   4.999
  796    HB3  GLU 104           HB1      GLU 104  12.356   6.361   4.821
  797    HG2  GLU 104           HG2      GLU 104  10.866   4.987   3.313
  798    HG3  GLU 104           HG1      GLU 104   9.744   6.352   3.341
  799    H    ASN 105           HN       ASN 105  10.419   7.664   7.329
  800    HA   ASN 105           HA       ASN 105  12.795   7.500   8.875
  801    HB2  ASN 105           HB2      ASN 105  11.785   9.649   8.329
  802    HB3  ASN 105           HB1      ASN 105  10.338   9.229   9.241
  803   HD21  ASN 105          HD21      ASN 105  10.363   9.392  11.476
  804   HD22  ASN 105          HD22      ASN 105  11.671  10.115  12.347
  805    H    ALA 106           HN       ALA 106   9.456   6.571   9.502
  806    HA   ALA 106           HA       ALA 106   9.900   6.310  12.338
  807    HB1  ALA 106           HB1      ALA 106   7.602   5.592  12.463
  808    HB2  ALA 106           HB2      ALA 106   7.540   5.373  10.715
  809    HB3  ALA 106           HB3      ALA 106   7.717   6.989  11.393
  810    H    ARG 107           HN       ARG 107   9.413   4.050   9.642
  811    HA   ARG 107           HA       ARG 107   9.691   1.827  11.514
  812    HB2  ARG 107           HB2      ARG 107   9.011   1.714   8.576
  813    HB3  ARG 107           HB1      ARG 107   8.860   0.406   9.740
  814    HG2  ARG 107           HG2      ARG 107   7.277   2.972   9.721
  815    HG3  ARG 107           HG1      ARG 107   6.695   1.376   9.255
  816    HD2  ARG 107           HD2      ARG 107   7.631   2.173  12.017
  817    HD3  ARG 107           HD1      ARG 107   5.955   1.998  11.515
  818    HE   ARG 107           HE       ARG 107   7.802  -0.294  11.390
  819   HH11  ARG 107          HH11      ARG 107   4.872   1.197  12.616
  820   HH12  ARG 107          HH12      ARG 107   4.277  -0.273  13.321
  821   HH21  ARG 107          HH21      ARG 107   7.009  -2.222  12.334
  822   HH22  ARG 107          HH22      ARG 107   5.481  -2.205  13.156
  823    H    GLY 108           HN       GLY 108  11.789   3.604   9.719
  824    HA2  GLY 108           HA2      GLY 108  14.050   3.264   9.369
  825    HA3  GLY 108           HA1      GLY 108  13.870   1.671  10.095
  826    H    VAL 109           HN       VAL 109  12.573   3.255   7.201
  827    HA   VAL 109           HA       VAL 109  13.448   0.912   5.644
  828    HB   VAL 109           HB       VAL 109  10.887   2.484   5.286
  829   HG11  VAL 109          HG11      VAL 109  10.346   0.907   3.517
  830   HG12  VAL 109          HG12      VAL 109  11.910   0.125   3.722
  831   HG13  VAL 109          HG13      VAL 109  11.826   1.788   3.140
  832   HG21  VAL 109          HG21      VAL 109   9.756   0.396   5.853
  833   HG22  VAL 109          HG22      VAL 109  10.789   0.940   7.174
  834   HG23  VAL 109          HG23      VAL 109  11.316  -0.377   6.128
  835    H    ASP 110           HN       ASP 110  14.441   1.348   3.682
  836    HA   ASP 110           HA       ASP 110  14.630   4.190   2.926
  837    HB2  ASP 110           HB2      ASP 110  16.702   3.287   4.118
  838    HB3  ASP 110           HB1      ASP 110  16.948   2.262   2.702
  839    H    PHE 111           HN       PHE 111  13.282   4.100   1.211
  840    HA   PHE 111           HA       PHE 111  13.108   1.937  -0.598
  841    HB2  PHE 111           HB2      PHE 111  12.165   4.794  -0.726
  842    HB3  PHE 111           HB1      PHE 111  11.892   3.667  -2.049
  843    HD1  PHE 111           HD2      PHE 111  11.368   3.994   1.625
  844    HD2  PHE 111           HD1      PHE 111   9.977   2.378  -2.053
  845    HE1  PHE 111           HE2      PHE 111   9.361   3.150   2.764
  846    HE2  PHE 111           HE1      PHE 111   7.966   1.530  -0.923
  847    HZ   PHE 111           HZ       PHE 111   7.654   1.912   1.490
  848    H    GLY 112           HN       GLY 112  15.236   4.664  -0.449
  849    HA2  GLY 112           HA2      GLY 112  15.958   4.686  -3.215
  850    HA3  GLY 112           HA1      GLY 112  16.830   5.470  -1.906
  851    H    SER 113           HN       SER 113  17.189   3.053  -0.362
  852    HA   SER 113           HA       SER 113  19.419   1.955  -1.900
  853    HB2  SER 113           HB2      SER 113  18.793   1.483   1.017
  854    HB3  SER 113           HB1      SER 113  20.344   1.288   0.198
  855    HG   SER 113           HG       SER 113  18.939   3.700   0.731
  856    H    ARG 114           HN       ARG 114  16.267   1.224  -1.409
  857    HA   ARG 114           HA       ARG 114  14.972  -0.599  -1.801
  858    HB2  ARG 114           HB2      ARG 114  17.533  -1.827  -2.849
  859    HB3  ARG 114           HB1      ARG 114  15.907  -2.449  -3.126
  860    HG2  ARG 114           HG2      ARG 114  15.347  -0.362  -4.318
  861    HG3  ARG 114           HG1      ARG 114  17.009   0.183  -4.095
  862    HD2  ARG 114           HD2      ARG 114  17.767  -1.854  -5.311
  863    HD3  ARG 114           HD1      ARG 114  16.076  -2.229  -5.640
  864    HE   ARG 114           HE       ARG 114  17.191   0.343  -6.514
  865   HH11  ARG 114          HH11      ARG 114  15.826  -2.787  -7.309
  866   HH12  ARG 114          HH12      ARG 114  15.570  -2.379  -8.978
  867   HH21  ARG 114          HH21      ARG 114  16.866   0.857  -8.708
  868   HH22  ARG 114          HH22      ARG 114  16.166  -0.320  -9.772
  869    H    THR 115           HN       THR 115  16.516  -0.293   0.726
  870    HA   THR 115           HA       THR 115  16.337  -3.064   1.659
  871    HB   THR 115           HB       THR 115  18.354  -2.410   3.175
  872    HG1  THR 115           HG1      THR 115  18.996  -0.810   0.924
  873   HG21  THR 115          HG21      THR 115  18.440  -4.197   1.517
  874   HG22  THR 115          HG22      THR 115  19.934  -3.262   1.491
  875   HG23  THR 115          HG23      THR 115  18.717  -3.015   0.238
  876    H    GLN 116           HN       GLN 116  16.389  -3.135   4.127
  877    HA   GLN 116           HA       GLN 116  15.212  -0.765   5.342
  878    HB2  GLN 116           HB2      GLN 116  13.299  -2.063   6.225
  879    HB3  GLN 116           HB1      GLN 116  13.284  -1.967   4.471
  880    HG2  GLN 116           HG2      GLN 116  14.362  -4.245   4.454
  881    HG3  GLN 116           HG1      GLN 116  14.028  -4.318   6.184
  882   HE21  GLN 116          HE21      GLN 116  12.629  -6.060   5.951
  883   HE22  GLN 116          HE22      GLN 116  11.067  -5.904   5.239
  884    H    ALA 117           HN       ALA 117  15.358  -0.705   7.599
  885    HA   ALA 117           HA       ALA 117  17.523  -2.347   8.639
  886    HB1  ALA 117           HB1      ALA 117  16.073  -0.027   9.907
  887    HB2  ALA 117           HB2      ALA 117  17.557   0.090   8.967
  888    HB3  ALA 117           HB3      ALA 117  17.550  -0.780  10.500
  889    H    ASP 118           HN       ASP 118  14.433  -2.952   8.323
  890    HA   ASP 118           HA       ASP 118  14.073  -4.065  11.023
  891    HB2  ASP 118           HB2      ASP 118  12.333  -2.425   9.954
  892    HB3  ASP 118           HB1      ASP 118  11.855  -3.834   9.006
  893    H    ALA 119           HN       ALA 119  12.894  -6.184  11.054
  894    HA   ALA 119           HA       ALA 119  14.172  -8.044   9.297
  895    HB1  ALA 119           HB1      ALA 119  13.682  -8.624  11.624
  896    HB2  ALA 119           HB2      ALA 119  12.896  -9.747  10.514
  897    HB3  ALA 119           HB3      ALA 119  11.954  -8.481  11.301
  898    H    LEU 120           HN       LEU 120  10.891  -6.770   9.685
  899    HA   LEU 120           HA       LEU 120  10.227  -7.127   6.959
  900    HB2  LEU 120           HB2      LEU 120   9.991  -9.477   7.730
  901    HB3  LEU 120           HB1      LEU 120   8.862  -8.946   8.954
  902    HG   LEU 120           HG       LEU 120   7.312  -8.205   7.175
  903   HD11  LEU 120          HD11      LEU 120   7.718  -8.977   4.874
  904   HD12  LEU 120          HD12      LEU 120   9.351  -9.451   5.345
  905   HD13  LEU 120          HD13      LEU 120   8.871  -7.755   5.402
  906   HD21  LEU 120          HD21      LEU 120   6.619 -10.435   6.476
  907   HD22  LEU 120          HD22      LEU 120   7.073 -10.409   8.180
  908   HD23  LEU 120          HD23      LEU 120   8.180 -11.083   6.984
  909    H    VAL 121           HN       VAL 121   8.610  -5.625   6.512
  910    HA   VAL 121           HA       VAL 121   7.512  -4.356   8.919
  911    HB   VAL 121           HB       VAL 121   9.116  -2.873   7.959
  912   HG11  VAL 121          HG11      VAL 121   9.213  -3.786   5.705
  913   HG12  VAL 121          HG12      VAL 121   9.008  -2.035   5.684
  914   HG13  VAL 121          HG13      VAL 121   7.634  -3.085   5.350
  915   HG21  VAL 121          HG21      VAL 121   6.315  -1.975   7.310
  916   HG22  VAL 121          HG22      VAL 121   7.715  -0.909   7.434
  917   HG23  VAL 121          HG23      VAL 121   7.156  -1.798   8.851
  918    H    LEU 122           HN       LEU 122   5.600  -5.328   9.035
  919    HA   LEU 122           HA       LEU 122   3.776  -5.103   6.739
  920    HB2  LEU 122           HB2      LEU 122   3.396  -6.755   9.237
  921    HB3  LEU 122           HB1      LEU 122   2.470  -6.850   7.755
  922    HG   LEU 122           HG       LEU 122   5.356  -7.681   8.093
  923   HD11  LEU 122          HD11      LEU 122   4.492  -9.938   7.710
  924   HD12  LEU 122          HD12      LEU 122   2.849  -9.301   7.694
  925   HD13  LEU 122          HD13      LEU 122   3.816  -9.211   9.166
  926   HD21  LEU 122          HD21      LEU 122   4.967  -6.818   5.854
  927   HD22  LEU 122          HD22      LEU 122   3.555  -7.862   5.683
  928   HD23  LEU 122          HD23      LEU 122   5.164  -8.570   5.824
  929    H    LEU 123           HN       LEU 123   2.647  -3.252   6.862
  930    HA   LEU 123           HA       LEU 123   2.020  -2.173   9.509
  931    HB2  LEU 123           HB2      LEU 123   1.780  -0.833   6.818
  932    HB3  LEU 123           HB1      LEU 123   1.595  -0.065   8.381
  933    HG   LEU 123           HG       LEU 123   4.148  -1.217   7.270
  934   HD11  LEU 123          HD11      LEU 123   4.888   1.086   7.154
  935   HD12  LEU 123          HD12      LEU 123   3.338   1.639   7.784
  936   HD13  LEU 123          HD13      LEU 123   3.421   0.872   6.198
  937   HD21  LEU 123          HD21      LEU 123   5.213  -0.237   9.235
  938   HD22  LEU 123          HD22      LEU 123   4.041  -1.469   9.694
  939   HD23  LEU 123          HD23      LEU 123   3.634   0.239   9.860
  940    H    GLY 124           HN       GLY 124   0.157  -2.830  10.286
  941    HA2  GLY 124           HA2      GLY 124  -2.191  -2.807   8.500
  942    HA3  GLY 124           HA1      GLY 124  -2.056  -3.800   9.945
  943    H    GLY 125           HN       GLY 125  -4.275  -2.293   9.710
  944    HA2  GLY 125           HA2      GLY 125  -5.530  -0.912  11.056
  945    HA3  GLY 125           HA1      GLY 125  -4.092  -0.626  12.026
  946    H    LEU 126           HN       LEU 126  -3.794   0.012   8.660
  947    HA   LEU 126           HA       LEU 126  -3.408   2.800   9.156
  948    HB2  LEU 126           HB2      LEU 126  -3.280   1.060   6.737
  949    HB3  LEU 126           HB1      LEU 126  -3.401   2.796   6.521
  950    HG   LEU 126           HG       LEU 126  -1.338   3.067   7.889
  951   HD11  LEU 126          HD11      LEU 126  -1.165   0.067   7.670
  952   HD12  LEU 126          HD12      LEU 126  -1.497   0.969   9.150
  953   HD13  LEU 126          HD13      LEU 126   0.057   1.146   8.340
  954   HD21  LEU 126          HD21      LEU 126   0.188   2.314   6.141
  955   HD22  LEU 126          HD22      LEU 126  -1.259   3.049   5.452
  956   HD23  LEU 126          HD23      LEU 126  -1.081   1.294   5.462
  957    H    ASP 127           HN       ASP 127  -4.549   4.531   8.277
  958    HA   ASP 127           HA       ASP 127  -7.351   3.973   7.550
  959    HB2  ASP 127           HB2      ASP 127  -6.323   6.161   9.389
  960    HB3  ASP 127           HB1      ASP 127  -7.980   6.062   8.791
  961    H    PHE 128           HN       PHE 128  -8.321   6.143   6.599
  962    HA   PHE 128           HA       PHE 128  -6.341   7.025   4.622
  963    HB2  PHE 128           HB2      PHE 128  -9.321   6.773   4.562
  964    HB3  PHE 128           HB1      PHE 128  -8.527   7.915   3.478
  965    HD1  PHE 128           HD2      PHE 128  -8.773   4.348   4.406
  966    HD2  PHE 128           HD1      PHE 128  -7.319   7.176   1.579
  967    HE1  PHE 128           HE2      PHE 128  -8.236   2.515   2.857
  968    HE2  PHE 128           HE1      PHE 128  -6.774   5.349   0.028
  969    HZ   PHE 128           HZ       PHE 128  -7.234   3.012   0.662
  970    H    GLU 129           HN       GLU 129  -6.247   8.100   7.192
  971    HA   GLU 129           HA       GLU 129  -7.264  10.796   7.045
  972    HB2  GLU 129           HB2      GLU 129  -5.291   9.500   8.941
  973    HB3  GLU 129           HB1      GLU 129  -5.881  11.146   9.091
  974    HG2  GLU 129           HG2      GLU 129  -7.570   8.663   9.223
  975    HG3  GLU 129           HG1      GLU 129  -7.033   9.621  10.601
  976    H    ALA 130           HN       ALA 130  -6.362  12.247   5.749
  977    HA   ALA 130           HA       ALA 130  -3.679  11.850   4.737
  978    HB1  ALA 130           HB1      ALA 130  -5.454  12.553   3.209
  979    HB2  ALA 130           HB2      ALA 130  -4.165  13.754   3.286
  980    HB3  ALA 130           HB3      ALA 130  -5.680  14.031   4.146
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -19.798  -9.953  12.588
    2    H2   GLY   1           HT2      GLY   1 -20.335  -8.923  13.813
    3    H3   GLY   1           HT3      GLY   1 -21.381  -9.362  12.562
    4    HA2  GLY   1           HA1      GLY   1 -20.282 -11.140  14.664
    5    HA3  GLY   1           HA2      GLY   1 -21.951 -10.605  14.517
    6    H    ALA   2           HN       ALA   2 -22.865 -11.083  12.203
    7    HA   ALA   2           HA       ALA   2 -21.930 -13.713  11.291
    8    HB1  ALA   2           HB1      ALA   2 -23.819 -14.105  12.779
    9    HB2  ALA   2           HB2      ALA   2 -24.259 -14.478  11.113
   10    HB3  ALA   2           HB3      ALA   2 -24.802 -12.973  11.853
   11    H    MET   3           HN       MET   3 -21.632 -13.759   9.174
   12    HA   MET   3           HA       MET   3 -21.674 -13.255   6.965
   13    HB2  MET   3           HB2      MET   3 -24.488 -12.316   7.596
   14    HB3  MET   3           HB1      MET   3 -23.852 -12.582   5.977
   15    HG2  MET   3           HG2      MET   3 -24.159 -14.688   8.109
   16    HG3  MET   3           HG1      MET   3 -25.251 -14.435   6.750
   17    HE1  MET   3           HE1      MET   3 -23.868 -17.238   7.492
   18    HE2  MET   3           HE2      MET   3 -23.453 -17.810   5.877
   19    HE3  MET   3           HE3      MET   3 -25.000 -17.013   6.159
   20    H    GLY   4           HN       GLY   4 -20.300 -11.448   8.364
   21    HA2  GLY   4           HA2      GLY   4 -21.174  -8.821   7.344
   22    HA3  GLY   4           HA1      GLY   4 -20.043  -9.065   8.669
   23    H    MET   5           HN       MET   5 -20.120 -10.639   5.512
   24    HA   MET   5           HA       MET   5 -17.292 -10.075   5.167
   25    HB2  MET   5           HB2      MET   5 -19.197 -11.538   3.325
   26    HB3  MET   5           HB1      MET   5 -17.444 -11.530   3.215
   27    HG2  MET   5           HG2      MET   5 -17.256 -12.757   5.274
   28    HG3  MET   5           HG1      MET   5 -18.998 -12.657   5.534
   29    HE1  MET   5           HE1      MET   5 -20.786 -13.845   3.996
   30    HE2  MET   5           HE2      MET   5 -20.383 -14.886   2.630
   31    HE3  MET   5           HE3      MET   5 -20.083 -13.152   2.534
   32    H    SER   6           HN       SER   6 -20.249  -9.592   3.258
   33    HA   SER   6           HA       SER   6 -20.818  -8.122   1.631
   34    HB2  SER   6           HB2      SER   6 -20.369  -6.473   3.465
   35    HB3  SER   6           HB1      SER   6 -18.722  -6.308   2.859
   36    HG   SER   6           HG       SER   6 -19.593  -4.791   1.677
   37    HA   PRO   7           HA       PRO   7 -17.181  -9.583  -0.878
   38    HB2  PRO   7           HB2      PRO   7 -18.786 -10.437  -2.949
   39    HB3  PRO   7           HB1      PRO   7 -18.237 -11.459  -1.619
   40    HG2  PRO   7           HG2      PRO   7 -20.855 -10.074  -1.989
   41    HG3  PRO   7           HG1      PRO   7 -20.520 -11.687  -1.333
   42    HD2  PRO   7           HD2      PRO   7 -21.094  -9.595   0.257
   43    HD3  PRO   7           HD1      PRO   7 -19.948 -10.855   0.754
   44    H    ASP   8           HN       ASP   8 -19.908  -7.521  -1.451
   45    HA   ASP   8           HA       ASP   8 -19.046  -6.387  -3.907
   46    HB2  ASP   8           HB2      ASP   8 -20.892  -5.375  -1.745
   47    HB3  ASP   8           HB1      ASP   8 -20.524  -4.428  -3.182
   48    H    THR   9           HN       THR   9 -18.560  -5.488  -0.524
   49    HA   THR   9           HA       THR   9 -17.124  -3.114  -1.014
   50    HB   THR   9           HB       THR   9 -16.984  -4.980   1.365
   51    HG1  THR   9           HG1      THR   9 -18.526  -2.607   1.000
   52   HG21  THR   9          HG21      THR   9 -16.222  -2.983   2.598
   53   HG22  THR   9          HG22      THR   9 -16.177  -2.085   1.079
   54   HG23  THR   9          HG23      THR   9 -15.090  -3.452   1.327
   55    H    ALA  10           HN       ALA  10 -16.063  -6.421  -0.277
   56    HA   ALA  10           HA       ALA  10 -13.320  -5.984  -0.407
   57    HB1  ALA  10           HB1      ALA  10 -14.360  -7.998   0.528
   58    HB2  ALA  10           HB2      ALA  10 -13.119  -8.386  -0.662
   59    HB3  ALA  10           HB3      ALA  10 -14.823  -8.502  -1.099
   60    H    ARG  11           HN       ARG  11 -15.632  -6.829  -2.948
   61    HA   ARG  11           HA       ARG  11 -13.666  -7.379  -4.919
   62    HB2  ARG  11           HB2      ARG  11 -15.957  -8.287  -5.013
   63    HB3  ARG  11           HB1      ARG  11 -16.576  -6.666  -5.299
   64    HG2  ARG  11           HG2      ARG  11 -15.468  -6.550  -7.420
   65    HG3  ARG  11           HG1      ARG  11 -14.628  -8.073  -7.117
   66    HD2  ARG  11           HD2      ARG  11 -17.604  -7.696  -7.447
   67    HD3  ARG  11           HD1      ARG  11 -16.505  -8.429  -8.614
   68    HE   ARG  11           HE       ARG  11 -16.218  -9.868  -6.273
   69   HH11  ARG  11          HH11      ARG  11 -18.776  -9.161  -8.552
   70   HH12  ARG  11          HH12      ARG  11 -19.632 -10.640  -8.251
   71   HH21  ARG  11          HH21      ARG  11 -17.342 -11.817  -5.864
   72   HH22  ARG  11          HH22      ARG  11 -18.816 -12.149  -6.716
   73    H    ARG  12           HN       ARG  12 -15.680  -4.520  -4.257
   74    HA   ARG  12           HA       ARG  12 -14.828  -3.111  -6.553
   75    HB2  ARG  12           HB2      ARG  12 -16.025  -2.094  -3.977
   76    HB3  ARG  12           HB1      ARG  12 -15.781  -1.105  -5.412
   77    HG2  ARG  12           HG2      ARG  12 -17.211  -2.826  -6.634
   78    HG3  ARG  12           HG1      ARG  12 -17.647  -3.423  -5.034
   79    HD2  ARG  12           HD2      ARG  12 -19.341  -1.897  -5.704
   80    HD3  ARG  12           HD1      ARG  12 -18.380  -1.091  -4.467
   81    HE   ARG  12           HE       ARG  12 -17.237   0.075  -6.345
   82   HH11  ARG  12          HH11      ARG  12 -20.465  -1.224  -6.783
   83   HH12  ARG  12          HH12      ARG  12 -20.863  -0.135  -8.068
   84   HH21  ARG  12          HH21      ARG  12 -17.764   1.507  -8.038
   85   HH22  ARG  12          HH22      ARG  12 -19.326   1.414  -8.788
   86    H    PHE  13           HN       PHE  13 -13.628  -3.186  -3.227
   87    HA   PHE  13           HA       PHE  13 -11.713  -1.122  -3.604
   88    HB2  PHE  13           HB2      PHE  13 -12.406  -1.834  -1.360
   89    HB3  PHE  13           HB1      PHE  13 -11.703  -3.420  -1.632
   90    HD1  PHE  13           HD1      PHE  13 -10.930   0.157  -1.167
   91    HD2  PHE  13           HD2      PHE  13  -9.374  -3.803  -1.347
   92    HE1  PHE  13           HE1      PHE  13  -8.788   0.960  -0.265
   93    HE2  PHE  13           HE2      PHE  13  -7.233  -3.006  -0.444
   94    HZ   PHE  13           HZ       PHE  13  -6.922  -0.618   0.062
   95    H    ASP  14           HN       ASP  14 -11.574  -4.638  -3.825
   96    HA   ASP  14           HA       ASP  14  -8.848  -4.913  -4.352
   97    HB2  ASP  14           HB2      ASP  14 -10.338  -6.751  -3.667
   98    HB3  ASP  14           HB1      ASP  14 -11.139  -6.679  -5.229
   99    H    THR  15           HN       THR  15 -11.500  -4.101  -6.480
  100    HA   THR  15           HA       THR  15  -9.837  -4.595  -8.829
  101    HB   THR  15           HB       THR  15 -11.974  -4.139 -10.091
  102    HG1  THR  15           HG1      THR  15 -13.257  -4.536  -7.594
  103   HG21  THR  15          HG21      THR  15 -11.971  -6.392  -8.081
  104   HG22  THR  15          HG22      THR  15 -11.183  -6.406  -9.658
  105   HG23  THR  15          HG23      THR  15 -12.941  -6.331  -9.552
  106    H    GLU  16           HN       GLU  16 -11.555  -1.912  -7.240
  107    HA   GLU  16           HA       GLU  16 -10.758  -0.155  -9.435
  108    HB2  GLU  16           HB2      GLU  16 -13.083  -0.066  -8.662
  109    HB3  GLU  16           HB1      GLU  16 -12.535   0.383  -7.053
  110    HG2  GLU  16           HG2      GLU  16 -13.337   2.319  -8.282
  111    HG3  GLU  16           HG1      GLU  16 -11.613   2.456  -7.926
  112    H    PHE  17           HN       PHE  17 -10.293  -0.432  -5.919
  113    HA   PHE  17           HA       PHE  17  -8.809   2.073  -5.959
  114    HB2  PHE  17           HB2      PHE  17  -9.720   0.325  -3.672
  115    HB3  PHE  17           HB1      PHE  17  -8.767   1.789  -3.465
  116    HD1  PHE  17           HD2      PHE  17 -12.021   0.498  -4.696
  117    HD2  PHE  17           HD1      PHE  17  -9.782   3.922  -3.498
  118    HE1  PHE  17           HE2      PHE  17 -14.080   1.840  -4.688
  119    HE2  PHE  17           HE1      PHE  17 -11.842   5.266  -3.495
  120    HZ   PHE  17           HZ       PHE  17 -13.992   4.225  -4.089
  121    H    ALA  18           HN       ALA  18  -8.223  -1.315  -5.029
  122    HA   ALA  18           HA       ALA  18  -5.659  -0.961  -4.025
  123    HB1  ALA  18           HB1      ALA  18  -6.686  -3.435  -5.398
  124    HB2  ALA  18           HB2      ALA  18  -7.015  -2.994  -3.724
  125    HB3  ALA  18           HB3      ALA  18  -5.363  -3.335  -4.238
  126    HA   PRO  19           HA       PRO  19  -3.893  -1.970  -8.495
  127    HB2  PRO  19           HB2      PRO  19  -6.079  -0.742 -10.102
  128    HB3  PRO  19           HB1      PRO  19  -5.084  -2.165 -10.457
  129    HG2  PRO  19           HG2      PRO  19  -7.601  -2.461  -9.699
  130    HG3  PRO  19           HG1      PRO  19  -6.344  -3.543  -9.073
  131    HD2  PRO  19           HD2      PRO  19  -7.658  -1.199  -7.743
  132    HD3  PRO  19           HD1      PRO  19  -7.259  -2.794  -7.073
  133    H    ARG  20           HN       ARG  20  -5.933   0.808  -7.773
  134    HA   ARG  20           HA       ARG  20  -4.314   2.668  -9.237
  135    HB2  ARG  20           HB2      ARG  20  -6.540   3.029  -7.237
  136    HB3  ARG  20           HB1      ARG  20  -5.669   4.389  -7.932
  137    HG2  ARG  20           HG2      ARG  20  -6.381   3.738 -10.159
  138    HG3  ARG  20           HG1      ARG  20  -7.208   2.327  -9.499
  139    HD2  ARG  20           HD2      ARG  20  -8.775   4.142  -9.950
  140    HD3  ARG  20           HD1      ARG  20  -8.694   3.778  -8.228
  141    HE   ARG  20           HE       ARG  20  -6.944   5.914  -9.066
  142   HH11  ARG  20          HH11      ARG  20 -10.155   5.075  -7.945
  143   HH12  ARG  20          HH12      ARG  20 -10.498   6.664  -7.343
  144   HH21  ARG  20          HH21      ARG  20  -7.393   8.014  -8.283
  145   HH22  ARG  20          HH22      ARG  20  -8.930   8.338  -7.537
  146    H    ILE  21           HN       ILE  21  -4.464   1.487  -5.952
  147    HA   ILE  21           HA       ILE  21  -2.740   3.407  -4.782
  148    HB   ILE  21           HB       ILE  21  -3.118   0.517  -3.968
  149   HG12  ILE  21          HG12      ILE  21  -4.525   2.995  -2.949
  150   HG13  ILE  21          HG11      ILE  21  -5.241   1.815  -4.041
  151   HG21  ILE  21          HG21      ILE  21  -2.148   2.869  -2.345
  152   HG22  ILE  21          HG22      ILE  21  -1.113   1.614  -3.026
  153   HG23  ILE  21          HG23      ILE  21  -2.304   1.201  -1.794
  154   HD11  ILE  21          HD11      ILE  21  -6.030   1.412  -1.814
  155   HD12  ILE  21          HD12      ILE  21  -4.382   1.356  -1.191
  156   HD13  ILE  21          HD13      ILE  21  -4.958   0.091  -2.278
  157    H    ALA  22           HN       ALA  22  -2.169   0.139  -6.043
  158    HA   ALA  22           HA       ALA  22   0.610   0.114  -5.624
  159    HB1  ALA  22           HB1      ALA  22  -0.691  -1.912  -5.972
  160    HB2  ALA  22           HB2      ALA  22   0.627  -1.804  -7.139
  161    HB3  ALA  22           HB3      ALA  22  -1.022  -1.425  -7.633
  162    H    ARG  23           HN       ARG  23  -1.337   1.183  -8.345
  163    HA   ARG  23           HA       ARG  23   0.819   1.524 -10.155
  164    HB2  ARG  23           HB2      ARG  23  -1.578   1.329 -10.815
  165    HB3  ARG  23           HB1      ARG  23  -1.862   2.924 -10.133
  166    HG2  ARG  23           HG2      ARG  23  -0.304   3.890 -11.754
  167    HG3  ARG  23           HG1      ARG  23  -0.041   2.288 -12.446
  168    HD2  ARG  23           HD2      ARG  23  -1.655   3.535 -13.770
  169    HD3  ARG  23           HD1      ARG  23  -2.422   2.144 -13.003
  170    HE   ARG  23           HE       ARG  23  -2.633   4.675 -11.585
  171   HH11  ARG  23          HH11      ARG  23  -4.141   2.380 -13.756
  172   HH12  ARG  23          HH12      ARG  23  -5.742   2.995 -13.503
  173   HH21  ARG  23          HH21      ARG  23  -4.736   5.493 -11.252
  174   HH22  ARG  23          HH22      ARG  23  -6.082   4.779 -12.087
  175    H    ALA  24           HN       ALA  24  -0.810   3.661  -7.861
  176    HA   ALA  24           HA       ALA  24   0.527   6.039  -8.599
  177    HB1  ALA  24           HB1      ALA  24  -1.540   6.033  -7.285
  178    HB2  ALA  24           HB2      ALA  24  -0.256   6.924  -6.467
  179    HB3  ALA  24           HB3      ALA  24  -0.679   5.295  -5.936
  180    H    ILE  25           HN       ILE  25   1.139   3.643  -6.070
  181    HA   ILE  25           HA       ILE  25   3.447   4.819  -4.996
  182    HB   ILE  25           HB       ILE  25   2.687   1.892  -5.110
  183   HG12  ILE  25          HG12      ILE  25   2.295   3.966  -2.933
  184   HG13  ILE  25          HG11      ILE  25   1.029   3.325  -3.975
  185   HG21  ILE  25          HG21      ILE  25   4.215   1.626  -3.196
  186   HG22  ILE  25          HG22      ILE  25   4.726   3.303  -3.389
  187   HG23  ILE  25          HG23      ILE  25   5.057   2.129  -4.662
  188   HD11  ILE  25          HD11      ILE  25   1.342   1.115  -3.023
  189   HD12  ILE  25          HD12      ILE  25   1.002   2.301  -1.763
  190   HD13  ILE  25          HD13      ILE  25   2.650   1.724  -2.011
  191    H    ALA  26           HN       ALA  26   3.042   2.412  -7.571
  192    HA   ALA  26           HA       ALA  26   5.747   1.900  -8.063
  193    HB1  ALA  26           HB1      ALA  26   5.015   1.103 -10.267
  194    HB2  ALA  26           HB2      ALA  26   3.432   1.830  -9.994
  195    HB3  ALA  26           HB3      ALA  26   3.981   0.502  -8.972
  196    H    ASP  27           HN       ASP  27   3.601   4.403  -9.273
  197    HA   ASP  27           HA       ASP  27   5.432   5.499 -11.152
  198    HB2  ASP  27           HB2      ASP  27   3.064   5.915 -11.407
  199    HB3  ASP  27           HB1      ASP  27   2.983   6.671  -9.822
  200    H    LEU  28           HN       LEU  28   4.611   6.217  -7.809
  201    HA   LEU  28           HA       LEU  28   6.085   8.617  -7.614
  202    HB2  LEU  28           HB2      LEU  28   4.265   7.967  -6.068
  203    HB3  LEU  28           HB1      LEU  28   5.272   6.678  -5.444
  204    HG   LEU  28           HG       LEU  28   6.873   8.359  -4.593
  205   HD11  LEU  28          HD11      LEU  28   6.101  10.724  -4.490
  206   HD12  LEU  28          HD12      LEU  28   4.828  10.309  -5.638
  207   HD13  LEU  28          HD13      LEU  28   6.522  10.173  -6.109
  208   HD21  LEU  28          HD21      LEU  28   5.475   9.156  -2.758
  209   HD22  LEU  28          HD22      LEU  28   5.106   7.476  -3.148
  210   HD23  LEU  28          HD23      LEU  28   4.026   8.764  -3.681
  211    H    LEU  29           HN       LEU  29   6.890   5.241  -7.132
  212    HA   LEU  29           HA       LEU  29   9.539   5.865  -6.128
  213    HB2  LEU  29           HB2      LEU  29   8.342   3.206  -6.926
  214    HB3  LEU  29           HB1      LEU  29   9.849   3.437  -6.059
  215    HG   LEU  29           HG       LEU  29   7.110   4.148  -5.016
  216   HD11  LEU  29          HD11      LEU  29   8.952   1.877  -4.285
  217   HD12  LEU  29          HD12      LEU  29   7.451   1.737  -5.198
  218   HD13  LEU  29          HD13      LEU  29   7.412   2.255  -3.514
  219   HD21  LEU  29          HD21      LEU  29   8.317   4.406  -2.858
  220   HD22  LEU  29          HD22      LEU  29   8.745   5.617  -4.064
  221   HD23  LEU  29          HD23      LEU  29   9.837   4.268  -3.743
  222    H    ASN  30           HN       ASN  30   8.241   6.139  -9.042
  223    HA   ASN  30           HA       ASN  30   8.964   6.174 -11.180
  224    HB2  ASN  30           HB2      ASN  30  11.617   6.341  -9.756
  225    HB3  ASN  30           HB1      ASN  30  11.477   6.441 -11.507
  226   HD21  ASN  30          HD21      ASN  30  10.890   8.054  -8.491
  227   HD22  ASN  30          HD22      ASN  30  10.474   9.588  -9.164
  228    H    HIS  31           HN       HIS  31   8.432   3.644 -10.005
  229    HA   HIS  31           HA       HIS  31   8.550   1.426 -10.447
  230    HB2  HIS  31           HB2      HIS  31   9.679   2.475 -13.044
  231    HB3  HIS  31           HB1      HIS  31   9.260   0.786 -12.775
  232    HD1  HIS  31           HD1      HIS  31   6.704   0.250 -12.457
  233    HD2  HIS  31           HD2      HIS  31   7.563   4.146 -13.609
  234    HE1  HIS  31           HE1      HIS  31   4.513   1.232 -13.205
  235    HE2  HIS  31           HE2      HIS  31   5.027   3.649 -13.688
  236    H    ARG  32           HN       ARG  32  10.828   2.621  -9.053
  237    HA   ARG  32           HA       ARG  32  13.071   0.971  -9.874
  238    HB2  ARG  32           HB2      ARG  32  12.676   2.763  -7.468
  239    HB3  ARG  32           HB1      ARG  32  14.168   1.907  -7.831
  240    HG2  ARG  32           HG2      ARG  32  14.439   3.178  -9.873
  241    HG3  ARG  32           HG1      ARG  32  12.896   3.989  -9.597
  242    HD2  ARG  32           HD2      ARG  32  15.337   4.147  -7.835
  243    HD3  ARG  32           HD1      ARG  32  14.758   5.408  -8.922
  244    HE   ARG  32           HE       ARG  32  12.712   5.454  -7.487
  245   HH11  ARG  32          HH11      ARG  32  15.787   4.379  -6.207
  246   HH12  ARG  32          HH12      ARG  32  15.385   4.761  -4.565
  247   HH21  ARG  32          HH21      ARG  32  12.180   5.968  -5.325
  248   HH22  ARG  32          HH22      ARG  32  13.325   5.651  -4.057
  249    H    ALA  33           HN       ALA  33  10.324   0.728  -7.915
  250    HA   ALA  33           HA       ALA  33  11.323  -1.782  -6.755
  251    HB1  ALA  33           HB1      ALA  33  11.112  -0.080  -5.002
  252    HB2  ALA  33           HB2      ALA  33   9.940  -1.379  -4.784
  253    HB3  ALA  33           HB3      ALA  33   9.425   0.170  -5.449
  254    H    HIS  34           HN       HIS  34   9.670  -3.402  -6.438
  255    HA   HIS  34           HA       HIS  34   7.643  -3.232  -8.558
  256    HB2  HIS  34           HB2      HIS  34   9.306  -5.083  -8.686
  257    HB3  HIS  34           HB1      HIS  34   8.762  -5.661  -7.118
  258    HD1  HIS  34           HD1      HIS  34   7.928  -5.720 -10.726
  259    HD2  HIS  34           HD2      HIS  34   6.191  -6.900  -7.134
  260    HE1  HIS  34           HE1      HIS  34   6.058  -7.279 -11.355
  261    HE2  HIS  34           HE2      HIS  34   5.124  -8.097  -9.164
  262    H    THR  35           HN       THR  35   5.537  -3.167  -8.049
  263    HA   THR  35           HA       THR  35   4.816  -3.703  -5.250
  264    HB   THR  35           HB       THR  35   2.819  -2.242  -5.718
  265    HG1  THR  35           HG1      THR  35   2.949  -0.898  -7.567
  266   HG21  THR  35          HG21      THR  35   4.841  -1.448  -4.533
  267   HG22  THR  35          HG22      THR  35   4.047  -0.166  -5.449
  268   HG23  THR  35          HG23      THR  35   5.512  -0.922  -6.076
  269    H    ASP  36           HN       ASP  36   3.156  -5.083  -4.798
  270    HA   ASP  36           HA       ASP  36   1.884  -6.425  -7.087
  271    HB2  ASP  36           HB2      ASP  36   3.667  -7.890  -6.325
  272    HB3  ASP  36           HB1      ASP  36   3.117  -7.747  -4.658
  273    H    VAL  37           HN       VAL  37  -0.227  -6.376  -6.965
  274    HA   VAL  37           HA       VAL  37  -1.527  -5.658  -4.471
  275    HB   VAL  37           HB       VAL  37  -2.867  -6.229  -7.115
  276   HG11  VAL  37          HG11      VAL  37  -3.721  -4.610  -4.717
  277   HG12  VAL  37          HG12      VAL  37  -4.341  -6.197  -5.176
  278   HG13  VAL  37          HG13      VAL  37  -4.639  -4.800  -6.211
  279   HG21  VAL  37          HG21      VAL  37  -2.810  -3.816  -7.533
  280   HG22  VAL  37          HG22      VAL  37  -1.187  -4.499  -7.465
  281   HG23  VAL  37          HG23      VAL  37  -1.820  -3.591  -6.093
  282    H    VAL  38           HN       VAL  38  -1.548  -7.386  -3.133
  283    HA   VAL  38           HA       VAL  38  -2.226 -10.032  -3.970
  284    HB   VAL  38           HB       VAL  38  -2.314  -8.889  -1.173
  285   HG11  VAL  38          HG11      VAL  38  -3.471 -11.000  -1.371
  286   HG12  VAL  38          HG12      VAL  38  -1.966 -11.210  -0.476
  287   HG13  VAL  38          HG13      VAL  38  -2.067 -11.721  -2.160
  288   HG21  VAL  38          HG21      VAL  38  -0.114  -8.514  -2.129
  289   HG22  VAL  38          HG22      VAL  38  -0.023 -10.203  -2.627
  290   HG23  VAL  38          HG23      VAL  38  -0.041  -9.790  -0.913
  291    H    GLY  39           HN       GLY  39  -4.195 -10.718  -4.480
  292    HA2  GLY  39           HA2      GLY  39  -6.445  -8.978  -4.205
  293    HA3  GLY  39           HA1      GLY  39  -6.452 -10.590  -4.906
  294    H    TYR  40           HN       TYR  40  -8.498  -9.553  -3.302
  295    HA   TYR  40           HA       TYR  40  -8.343 -10.445  -0.616
  296    HB2  TYR  40           HB2      TYR  40 -10.068  -8.853  -1.649
  297    HB3  TYR  40           HB1      TYR  40 -10.862 -10.294  -2.283
  298    HD1  TYR  40           HD2      TYR  40 -11.946 -11.890  -0.749
  299    HD2  TYR  40           HD1      TYR  40 -10.225  -8.269   0.696
  300    HE1  TYR  40           HE2      TYR  40 -13.168 -12.157   1.371
  301    HE2  TYR  40           HE1      TYR  40 -11.441  -8.536   2.818
  302    HH   TYR  40           HH       TYR  40 -12.979 -11.434   3.707
  303    H    GLY  41           HN       GLY  41  -8.061 -12.485   0.003
  304    HA2  GLY  41           HA2      GLY  41  -8.637 -14.622  -1.905
  305    HA3  GLY  41           HA1      GLY  41  -7.648 -14.757  -0.456
  306    H    GLY  42           HN       GLY  42  -9.881 -13.332   1.033
  307    HA2  GLY  42           HA2      GLY  42 -11.894 -13.939   2.063
  308    HA3  GLY  42           HA1      GLY  42 -11.903 -15.427   1.119
  309    H    HIS  43           HN       HIS  43 -12.544 -15.777   3.670
  310    HA   HIS  43           HA       HIS  43 -12.025 -16.800   5.633
  311    HB2  HIS  43           HB2      HIS  43 -11.316 -18.547   3.969
  312    HB3  HIS  43           HB1      HIS  43  -9.675 -17.923   4.091
  313    HD1  HIS  43           HD1      HIS  43  -8.325 -19.452   5.478
  314    HD2  HIS  43           HD2      HIS  43 -12.211 -19.116   6.910
  315    HE1  HIS  43           HE1      HIS  43  -8.407 -20.874   7.544
  316    HE2  HIS  43           HE2      HIS  43 -10.806 -20.781   8.299
  317    H    GLY  44           HN       GLY  44 -11.208 -14.203   5.544
  318    HA2  GLY  44           HA2      GLY  44 -10.063 -12.842   7.023
  319    HA3  GLY  44           HA1      GLY  44  -9.178 -14.250   7.581
  320    H    HIS  45           HN       HIS  45  -9.354 -13.242   4.227
  321    HA   HIS  45           HA       HIS  45  -6.569 -12.298   4.402
  322    HB2  HIS  45           HB2      HIS  45  -7.722 -14.120   2.276
  323    HB3  HIS  45           HB1      HIS  45  -6.156 -13.329   2.155
  324    HD1  HIS  45           HD1      HIS  45  -7.719 -16.381   3.286
  325    HD2  HIS  45           HD2      HIS  45  -4.336 -14.198   4.334
  326    HE1  HIS  45           HE1      HIS  45  -6.253 -17.971   4.568
  327    HE2  HIS  45           HE2      HIS  45  -4.258 -16.606   5.276
  328    HA   PRO  46           HA       PRO  46  -8.993  -9.032   2.333
  329    HB2  PRO  46           HB2      PRO  46  -7.292  -7.152   3.719
  330    HB3  PRO  46           HB1      PRO  46  -9.018  -7.459   3.963
  331    HG2  PRO  46           HG2      PRO  46  -7.077  -8.068   5.805
  332    HG3  PRO  46           HG1      PRO  46  -8.637  -8.905   5.697
  333    HD2  PRO  46           HD2      PRO  46  -5.958  -9.748   4.656
  334    HD3  PRO  46           HD1      PRO  46  -7.218 -10.719   5.451
  335    H    THR  47           HN       THR  47  -8.384  -7.405   0.810
  336    HA   THR  47           HA       THR  47  -6.107  -7.956  -0.756
  337    HB   THR  47           HB       THR  47  -7.853  -5.479  -0.752
  338    HG1  THR  47           HG1      THR  47  -8.269  -7.315  -2.739
  339   HG21  THR  47          HG21      THR  47  -6.120  -6.625  -2.953
  340   HG22  THR  47          HG22      THR  47  -5.733  -5.194  -1.996
  341   HG23  THR  47          HG23      THR  47  -7.135  -5.186  -3.065
  342    H    GLN  48           HN       GLN  48  -4.178  -6.867  -0.981
  343    HA   GLN  48           HA       GLN  48  -3.535  -4.566   0.625
  344    HB2  GLN  48           HB2      GLN  48  -1.639  -5.699   1.811
  345    HB3  GLN  48           HB1      GLN  48  -3.233  -6.196   2.358
  346    HG2  GLN  48           HG2      GLN  48  -3.067  -8.242   1.078
  347    HG3  GLN  48           HG1      GLN  48  -1.505  -7.736   0.437
  348   HE21  GLN  48          HE21      GLN  48  -2.312 -10.073   2.072
  349   HE22  GLN  48          HE22      GLN  48  -1.278 -10.040   3.456
  350    H    VAL  49           HN       VAL  49  -1.457  -3.681   0.089
  351    HA   VAL  49           HA       VAL  49  -0.370  -4.825  -2.392
  352    HB   VAL  49           HB       VAL  49  -1.469  -2.712  -2.867
  353   HG11  VAL  49          HG11      VAL  49  -0.644  -0.598  -1.913
  354   HG12  VAL  49          HG12      VAL  49   0.393  -1.516  -0.820
  355   HG13  VAL  49          HG13      VAL  49  -1.360  -1.654  -0.694
  356   HG21  VAL  49          HG21      VAL  49   1.537  -2.465  -2.941
  357   HG22  VAL  49          HG22      VAL  49   0.404  -1.522  -3.909
  358   HG23  VAL  49          HG23      VAL  49   0.527  -3.266  -4.144
  359    H    ARG  50           HN       ARG  50   1.570  -5.598  -2.218
  360    HA   ARG  50           HA       ARG  50   3.305  -4.639  -0.061
  361    HB2  ARG  50           HB2      ARG  50   4.619  -6.727  -0.516
  362    HB3  ARG  50           HB1      ARG  50   2.976  -7.000   0.046
  363    HG2  ARG  50           HG2      ARG  50   2.271  -7.441  -2.258
  364    HG3  ARG  50           HG1      ARG  50   3.931  -7.191  -2.802
  365    HD2  ARG  50           HD2      ARG  50   4.692  -9.074  -1.527
  366    HD3  ARG  50           HD1      ARG  50   3.108  -9.265  -0.778
  367    HE   ARG  50           HE       ARG  50   2.605  -9.500  -3.453
  368   HH11  ARG  50          HH11      ARG  50   4.757 -11.118  -1.210
  369   HH12  ARG  50          HH12      ARG  50   4.737 -12.619  -2.084
  370   HH21  ARG  50          HH21      ARG  50   2.569 -11.459  -4.587
  371   HH22  ARG  50          HH22      ARG  50   3.494 -12.813  -4.009
  372    H    ILE  51           HN       ILE  51   5.294  -3.839  -0.396
  373    HA   ILE  51           HA       ILE  51   6.070  -3.296  -3.184
  374    HB   ILE  51           HB       ILE  51   7.057  -1.835  -0.725
  375   HG12  ILE  51          HG12      ILE  51   4.832  -0.992  -2.597
  376   HG13  ILE  51          HG11      ILE  51   4.591  -1.592  -0.959
  377   HG21  ILE  51          HG21      ILE  51   7.071  -1.065  -3.644
  378   HG22  ILE  51          HG22      ILE  51   8.450  -1.709  -2.754
  379   HG23  ILE  51          HG23      ILE  51   7.771  -0.143  -2.312
  380   HD11  ILE  51          HD11      ILE  51   6.019   0.932  -1.757
  381   HD12  ILE  51          HD12      ILE  51   5.892   0.319  -0.109
  382   HD13  ILE  51          HD13      ILE  51   4.440   0.806  -0.981
  383    H    VAL  52           HN       VAL  52   7.739  -4.450  -3.884
  384    HA   VAL  52           HA       VAL  52   9.659  -5.505  -1.917
  385    HB   VAL  52           HB       VAL  52   8.669  -6.938  -4.397
  386   HG11  VAL  52          HG11      VAL  52  10.983  -7.495  -3.786
  387   HG12  VAL  52          HG12      VAL  52   9.890  -8.863  -3.580
  388   HG13  VAL  52          HG13      VAL  52  10.435  -7.952  -2.173
  389   HG21  VAL  52          HG21      VAL  52   8.025  -7.471  -1.497
  390   HG22  VAL  52          HG22      VAL  52   7.539  -8.478  -2.862
  391   HG23  VAL  52          HG23      VAL  52   6.917  -6.834  -2.712
  392    H    ALA  53           HN       ALA  53  11.798  -5.432  -2.469
  393    HA   ALA  53           HA       ALA  53  12.475  -4.043  -4.966
  394    HB1  ALA  53           HB1      ALA  53  14.649  -3.612  -3.929
  395    HB2  ALA  53           HB2      ALA  53  14.172  -4.555  -2.518
  396    HB3  ALA  53           HB3      ALA  53  13.335  -3.050  -2.896
  397    HA   PRO  54           HA       PRO  54  13.554  -8.295  -6.104
  398    HB2  PRO  54           HB2      PRO  54  13.372  -7.992  -8.775
  399    HB3  PRO  54           HB1      PRO  54  11.935  -8.098  -7.743
  400    HG2  PRO  54           HG2      PRO  54  13.247  -5.685  -8.930
  401    HG3  PRO  54           HG1      PRO  54  11.521  -6.066  -8.794
  402    HD2  PRO  54           HD2      PRO  54  12.867  -4.386  -7.085
  403    HD3  PRO  54           HD1      PRO  54  11.401  -5.282  -6.643
  404    H    HIS  55           HN       HIS  55  15.291  -5.472  -6.421
  405    HA   HIS  55           HA       HIS  55  17.673  -6.958  -7.205
  406    HB2  HIS  55           HB2      HIS  55  16.757  -5.846  -9.263
  407    HB3  HIS  55           HB1      HIS  55  16.968  -4.294  -8.460
  408    HD1  HIS  55           HD1      HIS  55  19.359  -3.356  -8.303
  409    HD2  HIS  55           HD2      HIS  55  19.134  -7.085 -10.128
  410    HE1  HIS  55           HE1      HIS  55  21.607  -3.737  -9.357
  411    HE2  HIS  55           HE2      HIS  55  21.504  -6.066 -10.293
  412    H    ALA  56           HN       ALA  56  19.286  -6.525  -5.839
  413    HA   ALA  56           HA       ALA  56  18.952  -4.556  -3.784
  414    HB1  ALA  56           HB1      ALA  56  21.304  -6.342  -4.398
  415    HB2  ALA  56           HB2      ALA  56  19.977  -6.715  -3.299
  416    HB3  ALA  56           HB3      ALA  56  21.083  -5.393  -2.930
  417    H    GLU  57           HN       GLU  57  19.993  -2.630  -3.534
  418    HA   GLU  57           HA       GLU  57  21.264  -1.557  -5.914
  419    HB2  GLU  57           HB2      GLU  57  19.440  -0.349  -4.616
  420    HB3  GLU  57           HB1      GLU  57  20.632  -0.094  -3.350
  421    HG2  GLU  57           HG2      GLU  57  22.026   1.170  -4.872
  422    HG3  GLU  57           HG1      GLU  57  20.899   0.864  -6.192
  423    H    HIS  58           HN       HIS  58  23.136   0.031  -5.410
  424    HA   HIS  58           HA       HIS  58  25.252  -1.602  -4.357
  425    HB2  HIS  58           HB2      HIS  58  26.725   0.277  -5.138
  426    HB3  HIS  58           HB1      HIS  58  25.717  -0.436  -6.387
  427    HD1  HIS  58           HD1      HIS  58  24.105   1.093  -7.600
  428    HD2  HIS  58           HD2      HIS  58  25.930   2.916  -4.338
  429    HE1  HIS  58           HE1      HIS  58  23.503   3.528  -7.758
  430    HE2  HIS  58           HE2      HIS  58  24.564   4.602  -5.745
  431    H    VAL  59           HN       VAL  59  23.323  -0.525  -2.421
  432    HA   VAL  59           HA       VAL  59  25.297   0.657  -0.595
  433    HB   VAL  59           HB       VAL  59  22.373   1.440  -0.648
  434   HG11  VAL  59          HG11      VAL  59  23.338   1.490   1.583
  435   HG12  VAL  59          HG12      VAL  59  23.048   3.132   1.004
  436   HG13  VAL  59          HG13      VAL  59  24.683   2.469   0.999
  437   HG21  VAL  59          HG21      VAL  59  24.796   3.011  -1.518
  438   HG22  VAL  59          HG22      VAL  59  23.158   3.651  -1.382
  439   HG23  VAL  59          HG23      VAL  59  23.518   2.395  -2.566
  440    H    ARG  60           HN       ARG  60  25.623  -1.477   0.142
  441    HA   ARG  60           HA       ARG  60  23.322  -2.930   1.178
  442    HB2  ARG  60           HB2      ARG  60  24.921  -4.806   1.475
  443    HB3  ARG  60           HB1      ARG  60  24.847  -4.223  -0.182
  444    HG2  ARG  60           HG2      ARG  60  26.923  -2.960   0.189
  445    HG3  ARG  60           HG1      ARG  60  27.000  -3.605   1.830
  446    HD2  ARG  60           HD2      ARG  60  27.116  -5.878   0.933
  447    HD3  ARG  60           HD1      ARG  60  27.024  -5.239  -0.704
  448    HE   ARG  60           HE       ARG  60  29.225  -4.267   0.917
  449   HH11  ARG  60          HH11      ARG  60  28.108  -6.563  -1.475
  450   HH12  ARG  60          HH12      ARG  60  29.700  -6.951  -2.039
  451   HH21  ARG  60          HH21      ARG  60  31.336  -4.772   0.173
  452   HH22  ARG  60          HH22      ARG  60  31.537  -5.927  -1.107
  453    H    GLY  61           HN       GLY  61  23.723  -0.699   2.626
  454    HA2  GLY  61           HA2      GLY  61  25.346  -0.973   4.913
  455    HA3  GLY  61           HA1      GLY  61  23.875  -0.007   4.819
  456    H    TYR  62           HN       TYR  62  21.851  -1.568   4.596
  457    HA   TYR  62           HA       TYR  62  22.072  -3.510   6.793
  458    HB2  TYR  62           HB2      TYR  62  19.582  -2.264   5.580
  459    HB3  TYR  62           HB1      TYR  62  19.615  -3.364   6.957
  460    HD1  TYR  62           HD2      TYR  62  21.056  -2.569   8.999
  461    HD2  TYR  62           HD1      TYR  62  19.595   0.033   5.961
  462    HE1  TYR  62           HE2      TYR  62  21.301  -0.655  10.523
  463    HE2  TYR  62           HE1      TYR  62  19.841   1.949   7.481
  464    HH   TYR  62           HH       TYR  62  21.566   1.762  10.410
  465    H    ALA  63           HN       ALA  63  21.656  -5.642   6.453
  466    HA   ALA  63           HA       ALA  63  21.622  -6.520   3.696
  467    HB1  ALA  63           HB1      ALA  63  22.000  -8.751   4.625
  468    HB2  ALA  63           HB2      ALA  63  21.769  -8.114   6.254
  469    HB3  ALA  63           HB3      ALA  63  23.140  -7.578   5.283
  470    H    HIS  64           HN       HIS  64  19.277  -5.273   4.182
  471    HA   HIS  64           HA       HIS  64  17.368  -7.481   4.011
  472    HB2  HIS  64           HB2      HIS  64  16.947  -5.039   5.755
  473    HB3  HIS  64           HB1      HIS  64  15.729  -6.265   5.410
  474    HD1  HIS  64           HD1      HIS  64  16.075  -8.617   6.538
  475    HD2  HIS  64           HD2      HIS  64  18.758  -5.681   7.743
  476    HE1  HIS  64           HE1      HIS  64  17.151  -9.503   8.629
  477    HE2  HIS  64           HE2      HIS  64  18.643  -7.638   9.430
  478    HA   PRO  65           HA       PRO  65  16.378  -4.772   0.521
  479    HB2  PRO  65           HB2      PRO  65  14.700  -6.566  -0.662
  480    HB3  PRO  65           HB1      PRO  65  16.455  -6.612  -0.856
  481    HG2  PRO  65           HG2      PRO  65  14.702  -8.231   0.943
  482    HG3  PRO  65           HG1      PRO  65  16.105  -8.741  -0.014
  483    HD2  PRO  65           HD2      PRO  65  16.241  -8.270   2.648
  484    HD3  PRO  65           HD1      PRO  65  17.609  -7.983   1.556
  485    H    LEU  66           HN       LEU  66  14.550  -3.534   0.067
  486    HA   LEU  66           HA       LEU  66  12.737  -3.128   2.161
  487    HB2  LEU  66           HB2      LEU  66  13.438  -1.492   0.362
  488    HB3  LEU  66           HB1      LEU  66  12.319  -2.305  -0.710
  489    HG   LEU  66           HG       LEU  66  11.357  -1.139   1.888
  490   HD11  LEU  66          HD11      LEU  66  12.553   0.655   0.775
  491   HD12  LEU  66          HD12      LEU  66  10.813   0.922   0.672
  492   HD13  LEU  66          HD13      LEU  66  11.697   0.318  -0.730
  493   HD21  LEU  66          HD21      LEU  66  10.032  -1.601  -0.784
  494   HD22  LEU  66          HD22      LEU  66   9.256  -0.947   0.657
  495   HD23  LEU  66          HD23      LEU  66   9.843  -2.611   0.649
  496    H    ASN  67           HN       ASN  67  11.044  -4.229   2.758
  497    HA   ASN  67           HA       ASN  67   9.360  -5.580   0.781
  498    HB2  ASN  67           HB2      ASN  67  11.023  -7.261   1.649
  499    HB3  ASN  67           HB1      ASN  67  10.380  -6.987   3.269
  500   HD21  ASN  67          HD21      ASN  67   8.212  -7.602   3.703
  501   HD22  ASN  67          HD22      ASN  67   7.432  -8.824   2.757
  502    H    LEU  68           HN       LEU  68   7.820  -4.028   1.207
  503    HA   LEU  68           HA       LEU  68   6.845  -3.835   3.980
  504    HB2  LEU  68           HB2      LEU  68   7.696  -1.730   3.170
  505    HB3  LEU  68           HB1      LEU  68   6.764  -1.866   1.692
  506    HG   LEU  68           HG       LEU  68   4.682  -1.684   3.084
  507   HD11  LEU  68          HD11      LEU  68   6.662  -0.979   5.239
  508   HD12  LEU  68          HD12      LEU  68   5.563  -2.358   5.229
  509   HD13  LEU  68          HD13      LEU  68   4.920  -0.720   5.331
  510   HD21  LEU  68          HD21      LEU  68   4.913   0.748   3.424
  511   HD22  LEU  68          HD22      LEU  68   5.516   0.214   1.856
  512   HD23  LEU  68          HD23      LEU  68   6.649   0.597   3.152
  513    H    ALA  69           HN       ALA  69   4.823  -4.404   4.425
  514    HA   ALA  69           HA       ALA  69   2.948  -4.801   2.182
  515    HB1  ALA  69           HB1      ALA  69   3.479  -6.849   3.467
  516    HB2  ALA  69           HB2      ALA  69   1.772  -6.412   3.549
  517    HB3  ALA  69           HB3      ALA  69   2.835  -6.075   4.915
  518    H    LEU  70           HN       LEU  70   0.937  -3.858   2.283
  519    HA   LEU  70           HA       LEU  70   0.554  -1.925   4.469
  520    HB2  LEU  70           HB2      LEU  70   0.083  -1.531   1.512
  521    HB3  LEU  70           HB1      LEU  70  -0.466  -0.412   2.746
  522    HG   LEU  70           HG       LEU  70   2.431  -1.100   2.219
  523   HD11  LEU  70          HD11      LEU  70   2.589   1.089   1.204
  524   HD12  LEU  70          HD12      LEU  70   0.865   1.356   1.459
  525   HD13  LEU  70          HD13      LEU  70   1.409   0.099   0.348
  526   HD21  LEU  70          HD21      LEU  70   2.838   0.907   3.614
  527   HD22  LEU  70          HD22      LEU  70   2.087  -0.419   4.502
  528   HD23  LEU  70          HD23      LEU  70   1.116   0.958   3.983
  529    H    THR  71           HN       THR  71  -1.284  -2.257   5.537
  530    HA   THR  71           HA       THR  71  -3.603  -3.240   4.025
  531    HB   THR  71           HB       THR  71  -4.337  -4.417   6.131
  532    HG1  THR  71           HG1      THR  71  -1.726  -3.625   6.918
  533   HG21  THR  71          HG21      THR  71  -3.394  -5.739   4.341
  534   HG22  THR  71          HG22      THR  71  -2.788  -6.348   5.881
  535   HG23  THR  71          HG23      THR  71  -1.756  -5.345   4.864
  536    H    TRP  72           HN       TRP  72  -5.638  -2.422   4.784
  537    HA   TRP  72           HA       TRP  72  -5.379  -0.044   6.494
  538    HB2  TRP  72           HB2      TRP  72  -6.830  -0.282   3.853
  539    HB3  TRP  72           HB1      TRP  72  -7.103   1.042   4.986
  540    HD1  TRP  72           HD1      TRP  72  -5.164   2.864   5.239
  541    HE1  TRP  72           HE1      TRP  72  -3.171   3.480   3.729
  542    HE3  TRP  72           HE3      TRP  72  -5.090  -1.286   2.250
  543    HZ2  TRP  72           HZ2      TRP  72  -1.764   2.362   1.564
  544    HZ3  TRP  72           HZ3      TRP  72  -3.386  -1.429   0.479
  545    HH2  TRP  72           HH2      TRP  72  -1.759   0.361   0.151
  546    H    ASN  73           HN       ASN  73  -7.180   0.572   7.657
  547    HA   ASN  73           HA       ASN  73  -8.692  -1.501   8.778
  548    HB2  ASN  73           HB2      ASN  73  -8.998   1.502   8.885
  549    HB3  ASN  73           HB1      ASN  73  -9.987   0.400   9.842
  550   HD21  ASN  73          HD21      ASN  73  -7.946   2.462  10.590
  551   HD22  ASN  73          HD22      ASN  73  -6.823   1.615  11.605
  552    H    THR  74           HN       THR  74 -10.653  -2.291   8.402
  553    HA   THR  74           HA       THR  74 -11.685  -2.148   5.809
  554    HB   THR  74           HB       THR  74 -13.111  -3.196   8.260
  555    HG1  THR  74           HG1      THR  74 -12.053  -5.215   7.458
  556   HG21  THR  74          HG21      THR  74 -14.186  -4.728   6.690
  557   HG22  THR  74          HG22      THR  74 -13.302  -4.001   5.349
  558   HG23  THR  74          HG23      THR  74 -14.503  -3.056   6.229
  559    H    ASP  75           HN       ASP  75 -12.543  -0.368   8.702
  560    HA   ASP  75           HA       ASP  75 -15.037   0.652   7.936
  561    HB2  ASP  75           HB2      ASP  75 -12.834   1.986   9.529
  562    HB3  ASP  75           HB1      ASP  75 -14.468   2.619   9.380
  563    H    GLU  76           HN       GLU  76 -11.811   1.948   7.440
  564    HA   GLU  76           HA       GLU  76 -12.410   4.139   5.852
  565    HB2  GLU  76           HB2      GLU  76 -10.000   2.357   5.493
  566    HB3  GLU  76           HB1      GLU  76 -10.129   4.070   5.118
  567    HG2  GLU  76           HG2      GLU  76 -10.273   2.881   7.873
  568    HG3  GLU  76           HG1      GLU  76  -8.859   3.647   7.160
  569    H    ILE  77           HN       ILE  77 -11.705   0.798   4.871
  570    HA   ILE  77           HA       ILE  77 -11.895   1.103   2.118
  571    HB   ILE  77           HB       ILE  77 -12.708  -1.298   3.766
  572   HG12  ILE  77          HG12      ILE  77 -10.053  -0.585   2.484
  573   HG13  ILE  77          HG11      ILE  77 -10.399  -0.580   4.213
  574   HG21  ILE  77          HG21      ILE  77 -12.249  -2.599   1.729
  575   HG22  ILE  77          HG22      ILE  77 -11.973  -1.098   0.846
  576   HG23  ILE  77          HG23      ILE  77 -13.572  -1.455   1.499
  577   HD11  ILE  77          HD11      ILE  77  -9.150  -2.563   3.541
  578   HD12  ILE  77          HD12      ILE  77 -10.440  -3.003   2.422
  579   HD13  ILE  77          HD13      ILE  77 -10.745  -2.990   4.157
  580    H    GLU  78           HN       GLU  78 -14.473   0.438   4.462
  581    HA   GLU  78           HA       GLU  78 -16.551   0.134   2.573
  582    HB2  GLU  78           HB2      GLU  78 -16.657   0.985   5.472
  583    HB3  GLU  78           HB1      GLU  78 -18.060   0.534   4.512
  584    HG2  GLU  78           HG2      GLU  78 -17.212  -1.708   4.251
  585    HG3  GLU  78           HG1      GLU  78 -15.724  -1.275   5.089
  586    H    ARG  79           HN       ARG  79 -15.275   2.927   4.291
  587    HA   ARG  79           HA       ARG  79 -17.261   4.758   3.468
  588    HB2  ARG  79           HB2      ARG  79 -15.652   5.066   5.381
  589    HB3  ARG  79           HB1      ARG  79 -14.395   5.384   4.196
  590    HG2  ARG  79           HG2      ARG  79 -15.577   7.341   3.410
  591    HG3  ARG  79           HG1      ARG  79 -16.918   7.002   4.506
  592    HD2  ARG  79           HD2      ARG  79 -15.590   8.691   5.522
  593    HD3  ARG  79           HD1      ARG  79 -15.295   7.197   6.405
  594    HE   ARG  79           HE       ARG  79 -13.444   8.403   4.451
  595   HH11  ARG  79          HH11      ARG  79 -14.049   6.355   7.229
  596   HH12  ARG  79          HH12      ARG  79 -12.365   6.114   7.586
  597   HH21  ARG  79          HH21      ARG  79 -11.208   8.100   4.944
  598   HH22  ARG  79          HH22      ARG  79 -10.760   7.093   6.295
  599    H    LEU  80           HN       LEU  80 -14.379   3.533   1.939
  600    HA   LEU  80           HA       LEU  80 -14.002   5.603   0.050
  601    HB2  LEU  80           HB2      LEU  80 -13.260   2.683  -0.121
  602    HB3  LEU  80           HB1      LEU  80 -12.710   3.917  -1.235
  603    HG   LEU  80           HG       LEU  80 -12.037   3.690   1.698
  604   HD11  LEU  80          HD11      LEU  80  -9.748   3.433   0.856
  605   HD12  LEU  80          HD12      LEU  80 -10.358   3.483  -0.797
  606   HD13  LEU  80          HD13      LEU  80 -10.815   2.157   0.272
  607   HD21  LEU  80          HD21      LEU  80 -10.557   5.649   1.283
  608   HD22  LEU  80          HD22      LEU  80 -12.276   6.030   1.221
  609   HD23  LEU  80          HD23      LEU  80 -11.356   5.868  -0.274
  610    H    MET  81           HN       MET  81 -16.259   2.994   0.205
  611    HA   MET  81           HA       MET  81 -16.811   2.716  -2.555
  612    HB2  MET  81           HB2      MET  81 -18.593   2.170  -0.173
  613    HB3  MET  81           HB1      MET  81 -18.900   1.619  -1.812
  614    HG2  MET  81           HG2      MET  81 -16.883   0.259  -1.752
  615    HG3  MET  81           HG1      MET  81 -16.531   0.848  -0.123
  616    HE1  MET  81           HE1      MET  81 -20.071  -0.114  -1.618
  617    HE2  MET  81           HE2      MET  81 -20.157  -1.819  -1.179
  618    HE3  MET  81           HE3      MET  81 -18.963  -1.270  -2.355
  619    H    GLU  82           HN       GLU  82 -17.547   5.205  -0.369
  620    HA   GLU  82           HA       GLU  82 -19.935   6.045  -1.814
  621    HB2  GLU  82           HB2      GLU  82 -18.588   7.240   0.620
  622    HB3  GLU  82           HB1      GLU  82 -20.138   7.744  -0.041
  623    HG2  GLU  82           HG2      GLU  82 -19.536   5.010   1.055
  624    HG3  GLU  82           HG1      GLU  82 -20.339   6.300   1.937
  625    H    ALA  83           HN       ALA  83 -20.090   8.407  -2.447
  626    HA   ALA  83           HA       ALA  83 -18.115   9.000  -4.327
  627    HB1  ALA  83           HB1      ALA  83 -20.410   9.830  -4.477
  628    HB2  ALA  83           HB2      ALA  83 -19.236  11.138  -4.622
  629    HB3  ALA  83           HB3      ALA  83 -20.112  10.902  -3.110
  630    H    ASP  84           HN       ASP  84 -18.679  10.535  -1.154
  631    HA   ASP  84           HA       ASP  84 -16.467  12.301  -1.318
  632    HB2  ASP  84           HB2      ASP  84 -18.385  12.601   0.266
  633    HB3  ASP  84           HB1      ASP  84 -17.791  11.223   1.187
  634    H    GLY  85           HN       GLY  85 -16.745   8.969  -0.683
  635    HA2  GLY  85           HA2      GLY  85 -14.344   8.649   0.847
  636    HA3  GLY  85           HA1      GLY  85 -15.269   7.372   0.056
  637    H    ALA  86           HN       ALA  86 -15.220   8.040  -2.566
  638    HA   ALA  86           HA       ALA  86 -12.698   7.430  -3.518
  639    HB1  ALA  86           HB1      ALA  86 -14.739   7.184  -4.835
  640    HB2  ALA  86           HB2      ALA  86 -13.526   8.119  -5.709
  641    HB3  ALA  86           HB3      ALA  86 -14.886   8.937  -4.942
  642    H    ALA  87           HN       ALA  87 -14.208  10.591  -3.032
  643    HA   ALA  87           HA       ALA  87 -12.107  12.143  -4.118
  644    HB1  ALA  87           HB1      ALA  87 -14.349  13.049  -3.735
  645    HB2  ALA  87           HB2      ALA  87 -13.122  14.019  -2.921
  646    HB3  ALA  87           HB3      ALA  87 -14.116  12.896  -1.993
  647    H    ARG  88           HN       ARG  88 -12.675  10.727  -0.978
  648    HA   ARG  88           HA       ARG  88 -10.587  12.056   0.415
  649    HB2  ARG  88           HB2      ARG  88 -12.586  10.692   1.341
  650    HB3  ARG  88           HB1      ARG  88 -11.575   9.283   1.055
  651    HG2  ARG  88           HG2      ARG  88 -11.390   9.958   3.355
  652    HG3  ARG  88           HG1      ARG  88  -9.855  10.256   2.531
  653    HD2  ARG  88           HD2      ARG  88 -10.612  12.104   4.043
  654    HD3  ARG  88           HD1      ARG  88 -10.303  12.590   2.379
  655    HE   ARG  88           HE       ARG  88 -13.042  11.897   2.830
  656   HH11  ARG  88          HH11      ARG  88 -10.677  14.460   3.210
  657   HH12  ARG  88          HH12      ARG  88 -11.866  15.728   3.104
  658   HH21  ARG  88          HH21      ARG  88 -14.600  13.558   2.670
  659   HH22  ARG  88          HH22      ARG  88 -14.091  15.217   2.805
  660    H    PHE  89           HN       PHE  89 -10.823   9.069  -1.419
  661    HA   PHE  89           HA       PHE  89  -8.253   8.053  -0.952
  662    HB2  PHE  89           HB2      PHE  89 -10.072   6.757  -2.016
  663    HB3  PHE  89           HB1      PHE  89  -9.967   7.791  -3.438
  664    HD1  PHE  89           HD2      PHE  89  -7.894   5.510  -1.350
  665    HD2  PHE  89           HD1      PHE  89  -8.628   7.148  -5.211
  666    HE1  PHE  89           HE2      PHE  89  -6.214   4.004  -2.307
  667    HE2  PHE  89           HE1      PHE  89  -6.949   5.638  -6.172
  668    HZ   PHE  89           HZ       PHE  89  -5.737   4.062  -4.721
  669    H    GLU  90           HN       GLU  90  -9.470  10.414  -3.250
  670    HA   GLU  90           HA       GLU  90  -7.174  10.650  -4.853
  671    HB2  GLU  90           HB2      GLU  90  -9.389  11.536  -5.480
  672    HB3  GLU  90           HB1      GLU  90  -9.283  12.714  -4.180
  673    HG2  GLU  90           HG2      GLU  90  -7.240  13.632  -5.306
  674    HG3  GLU  90           HG1      GLU  90  -7.608  12.574  -6.669
  675    H    ARG  91           HN       ARG  91  -8.202  12.281  -1.894
  676    HA   ARG  91           HA       ARG  91  -5.999  14.095  -1.849
  677    HB2  ARG  91           HB2      ARG  91  -8.256  14.413  -0.720
  678    HB3  ARG  91           HB1      ARG  91  -7.707  13.277   0.502
  679    HG2  ARG  91           HG2      ARG  91  -7.420  15.579   1.236
  680    HG3  ARG  91           HG1      ARG  91  -5.861  14.767   1.073
  681    HD2  ARG  91           HD2      ARG  91  -5.875  17.079   0.164
  682    HD3  ARG  91           HD1      ARG  91  -5.451  15.856  -1.032
  683    HE   ARG  91           HE       ARG  91  -8.239  16.706  -0.904
  684   HH11  ARG  91          HH11      ARG  91  -5.143  16.929  -2.535
  685   HH12  ARG  91          HH12      ARG  91  -5.826  17.527  -4.012
  686   HH21  ARG  91          HH21      ARG  91  -9.132  17.502  -2.846
  687   HH22  ARG  91          HH22      ARG  91  -8.087  17.861  -4.185
  688    H    TYR  92           HN       TYR  92  -6.564  10.860  -0.759
  689    HA   TYR  92           HA       TYR  92  -4.399  10.687   1.086
  690    HB2  TYR  92           HB2      TYR  92  -6.275   9.088   1.122
  691    HB3  TYR  92           HB1      TYR  92  -5.818   8.511  -0.474
  692    HD1  TYR  92           HD1      TYR  92  -4.769   8.640   3.070
  693    HD2  TYR  92           HD2      TYR  92  -4.103   6.883  -0.750
  694    HE1  TYR  92           HE1      TYR  92  -3.299   6.964   4.105
  695    HE2  TYR  92           HE2      TYR  92  -2.634   5.198   0.278
  696    HH   TYR  92           HH       TYR  92  -2.449   4.724   3.648
  697    H    LEU  93           HN       LEU  93  -4.795  10.166  -2.362
  698    HA   LEU  93           HA       LEU  93  -2.306   8.963  -2.890
  699    HB2  LEU  93           HB2      LEU  93  -3.962  10.742  -4.689
  700    HB3  LEU  93           HB1      LEU  93  -2.655   9.697  -5.216
  701    HG   LEU  93           HG       LEU  93  -5.244   8.744  -3.982
  702   HD11  LEU  93          HD11      LEU  93  -5.760   7.941  -6.238
  703   HD12  LEU  93          HD12      LEU  93  -4.300   8.729  -6.841
  704   HD13  LEU  93          HD13      LEU  93  -5.616   9.697  -6.176
  705   HD21  LEU  93          HD21      LEU  93  -2.928   7.243  -5.198
  706   HD22  LEU  93          HD22      LEU  93  -4.482   6.529  -4.774
  707   HD23  LEU  93          HD23      LEU  93  -3.451   7.201  -3.514
  708    H    ALA  94           HN       ALA  94  -3.327  12.321  -2.706
  709    HA   ALA  94           HA       ALA  94  -0.857  13.446  -3.523
  710    HB1  ALA  94           HB1      ALA  94  -1.748  15.539  -2.656
  711    HB2  ALA  94           HB2      ALA  94  -3.040  14.662  -1.836
  712    HB3  ALA  94           HB3      ALA  94  -2.968  14.682  -3.598
  713    H    ALA  95           HN       ALA  95  -1.869  11.965  -0.622
  714    HA   ALA  95           HA       ALA  95   0.177  13.336   0.961
  715    HB1  ALA  95           HB1      ALA  95  -2.041  11.490   1.820
  716    HB2  ALA  95           HB2      ALA  95  -2.041  13.250   1.938
  717    HB3  ALA  95           HB3      ALA  95  -0.908  12.300   2.900
  718    H    LEU  96           HN       LEU  96  -0.039  10.679  -0.962
  719    HA   LEU  96           HA       LEU  96   1.147   8.606   0.430
  720    HB2  LEU  96           HB2      LEU  96   1.395   9.402  -2.457
  721    HB3  LEU  96           HB1      LEU  96   2.170   7.968  -1.819
  722    HG   LEU  96           HG       LEU  96  -0.799   8.465  -1.691
  723   HD11  LEU  96          HD11      LEU  96   0.772   6.765  -3.624
  724   HD12  LEU  96          HD12      LEU  96  -0.027   8.289  -4.011
  725   HD13  LEU  96          HD13      LEU  96  -0.985   6.888  -3.532
  726   HD21  LEU  96          HD21      LEU  96   0.891   6.024  -1.166
  727   HD22  LEU  96          HD22      LEU  96  -0.870   6.030  -1.249
  728   HD23  LEU  96          HD23      LEU  96  -0.046   6.937   0.017
  729    HA   PRO  97           HA       PRO  97   5.572  10.466  -0.736
  730    HB2  PRO  97           HB2      PRO  97   5.459  13.247  -0.628
  731    HB3  PRO  97           HB1      PRO  97   5.597  12.284  -2.102
  732    HG2  PRO  97           HG2      PRO  97   3.165  13.489  -0.843
  733    HG3  PRO  97           HG1      PRO  97   3.601  13.376  -2.559
  734    HD2  PRO  97           HD2      PRO  97   1.795  11.731  -1.507
  735    HD3  PRO  97           HD1      PRO  97   2.975  11.137  -2.695
  736    H    ARG  98           HN       ARG  98   3.167  12.019   1.293
  737    HA   ARG  98           HA       ARG  98   5.059  12.746   3.341
  738    HB2  ARG  98           HB2      ARG  98   2.935  14.005   2.939
  739    HB3  ARG  98           HB1      ARG  98   2.048  12.617   3.558
  740    HG2  ARG  98           HG2      ARG  98   3.208  12.849   5.707
  741    HG3  ARG  98           HG1      ARG  98   4.053  14.265   5.083
  742    HD2  ARG  98           HD2      ARG  98   1.850  15.342   4.705
  743    HD3  ARG  98           HD1      ARG  98   1.087  13.954   5.479
  744    HE   ARG  98           HE       ARG  98   3.067  15.018   7.176
  745   HH11  ARG  98          HH11      ARG  98  -0.150  15.697   5.981
  746   HH12  ARG  98          HH12      ARG  98  -0.581  16.695   7.331
  747   HH21  ARG  98          HH21      ARG  98   2.512  16.309   8.958
  748   HH22  ARG  98          HH22      ARG  98   0.941  17.039   9.037
  749    H    LYS  99           HN       LYS  99   2.867  10.104   2.687
  750    HA   LYS  99           HA       LYS  99   3.073   8.826   5.208
  751    HB2  LYS  99           HB2      LYS  99   2.191   8.010   2.475
  752    HB3  LYS  99           HB1      LYS  99   2.497   6.758   3.667
  753    HG2  LYS  99           HG2      LYS  99   0.641   9.076   4.137
  754    HG3  LYS  99           HG1      LYS  99   0.119   7.515   3.497
  755    HD2  LYS  99           HD2      LYS  99   0.964   6.411   5.514
  756    HD3  LYS  99           HD1      LYS  99   1.487   7.970   6.152
  757    HE2  LYS  99           HE2      LYS  99  -1.364   7.294   5.450
  758    HE3  LYS  99           HE1      LYS  99  -0.684   7.151   7.070
  759    HZ1  LYS  99           HZ1      LYS  99  -1.845   9.233   6.815
  760    HZ2  LYS  99           HZ2      LYS  99  -0.896   9.648   5.481
  761    HZ3  LYS  99           HZ3      LYS  99  -0.192   9.528   7.013
  762    H    LEU 100           HN       LEU 100   4.804   8.442   2.146
  763    HA   LEU 100           HA       LEU 100   6.534   6.399   2.897
  764    HB2  LEU 100           HB2      LEU 100   6.641   8.597   0.904
  765    HB3  LEU 100           HB1      LEU 100   8.152   7.802   1.290
  766    HG   LEU 100           HG       LEU 100   7.170   5.636   0.617
  767   HD11  LEU 100          HD11      LEU 100   5.054   5.565  -0.573
  768   HD12  LEU 100          HD12      LEU 100   4.797   7.279  -0.245
  769   HD13  LEU 100          HD13      LEU 100   4.825   6.120   1.084
  770   HD21  LEU 100          HD21      LEU 100   7.128   6.081  -1.784
  771   HD22  LEU 100          HD22      LEU 100   8.442   6.945  -0.986
  772   HD23  LEU 100          HD23      LEU 100   6.979   7.807  -1.461
  773    H    ALA 101           HN       ALA 101   6.904   9.908   3.245
  774    HA   ALA 101           HA       ALA 101   9.463   9.934   4.351
  775    HB1  ALA 101           HB1      ALA 101   8.282  11.934   3.544
  776    HB2  ALA 101           HB2      ALA 101   8.912  12.150   5.178
  777    HB3  ALA 101           HB3      ALA 101   7.195  11.835   4.930
  778    H    ALA 102           HN       ALA 102   6.301   9.642   5.904
  779    HA   ALA 102           HA       ALA 102   7.227   9.734   8.564
  780    HB1  ALA 102           HB1      ALA 102   5.021   8.801   9.135
  781    HB2  ALA 102           HB2      ALA 102   4.723   8.499   7.423
  782    HB3  ALA 102           HB3      ALA 102   4.907  10.151   8.008
  783    H    TRP 103           HN       TRP 103   6.543   7.027   6.375
  784    HA   TRP 103           HA       TRP 103   7.025   5.004   8.295
  785    HB2  TRP 103           HB2      TRP 103   7.087   4.900   5.269
  786    HB3  TRP 103           HB1      TRP 103   7.201   3.479   6.307
  787    HD1  TRP 103           HD1      TRP 103   4.886   4.561   8.395
  788    HE1  TRP 103           HE1      TRP 103   2.432   4.366   7.650
  789    HE3  TRP 103           HE3      TRP 103   5.610   4.136   3.353
  790    HZ2  TRP 103           HZ2      TRP 103   0.999   4.065   5.237
  791    HZ3  TRP 103           HZ3      TRP 103   3.641   3.890   1.899
  792    HH2  TRP 103           HH2      TRP 103   1.385   3.857   2.823
  793    H    GLU 104           HN       GLU 104   9.123   6.771   6.116
  794    HA   GLU 104           HA       GLU 104  11.383   5.103   6.322
  795    HB2  GLU 104           HB2      GLU 104  11.273   8.100   5.925
  796    HB3  GLU 104           HB1      GLU 104  12.693   7.100   5.679
  797    HG2  GLU 104           HG2      GLU 104  11.386   5.842   3.945
  798    HG3  GLU 104           HG1      GLU 104  10.137   7.080   4.105
  799    H    ASN 105           HN       ASN 105  10.485   8.012   8.115
  800    HA   ASN 105           HA       ASN 105  12.667   7.918   9.902
  801    HB2  ASN 105           HB2      ASN 105  11.366   9.963   9.448
  802    HB3  ASN 105           HB1      ASN 105   9.976   9.252  10.262
  803   HD21  ASN 105          HD21      ASN 105  13.317   8.935  11.323
  804   HD22  ASN 105          HD22      ASN 105  13.125   9.849  12.778
  805    H    ALA 106           HN       ALA 106   9.377   6.648  10.126
  806    HA   ALA 106           HA       ALA 106   9.691   6.057  12.935
  807    HB1  ALA 106           HB1      ALA 106   7.409   5.373  11.093
  808    HB2  ALA 106           HB2      ALA 106   7.554   6.859  12.033
  809    HB3  ALA 106           HB3      ALA 106   7.394   5.308  12.855
  810    H    ARG 107           HN       ARG 107   9.560   4.152   9.927
  811    HA   ARG 107           HA       ARG 107   9.599   1.730  11.585
  812    HB2  ARG 107           HB2      ARG 107   8.915   2.062   8.665
  813    HB3  ARG 107           HB1      ARG 107   8.904   0.533   9.530
  814    HG2  ARG 107           HG2      ARG 107   7.122   2.912  10.027
  815    HG3  ARG 107           HG1      ARG 107   6.658   1.354   9.343
  816    HD2  ARG 107           HD2      ARG 107   7.553   1.926  12.168
  817    HD3  ARG 107           HD1      ARG 107   5.959   1.397  11.640
  818    HE   ARG 107           HE       ARG 107   8.106  -0.422  10.985
  819   HH11  ARG 107          HH11      ARG 107   5.694   0.474  13.368
  820   HH12  ARG 107          HH12      ARG 107   5.729  -1.074  14.154
  821   HH21  ARG 107          HH21      ARG 107   8.150  -2.438  12.024
  822   HH22  ARG 107          HH22      ARG 107   7.118  -2.725  13.389
  823    H    GLY 108           HN       GLY 108  11.827   3.594  10.020
  824    HA2  GLY 108           HA2      GLY 108  14.069   3.172   9.606
  825    HA3  GLY 108           HA1      GLY 108  13.809   1.530  10.189
  826    H    VAL 109           HN       VAL 109  12.409   3.346   7.515
  827    HA   VAL 109           HA       VAL 109  13.276   1.216   5.670
  828    HB   VAL 109           HB       VAL 109  10.635   2.707   5.648
  829   HG11  VAL 109          HG11      VAL 109  11.444   2.346   3.374
  830   HG12  VAL 109          HG12      VAL 109  10.038   1.340   3.718
  831   HG13  VAL 109          HG13      VAL 109  11.650   0.628   3.715
  832   HG21  VAL 109          HG21      VAL 109  10.716   0.924   7.316
  833   HG22  VAL 109          HG22      VAL 109  11.220  -0.221   6.073
  834   HG23  VAL 109          HG23      VAL 109   9.620   0.513   5.997
  835    H    ASP 110           HN       ASP 110  14.162   1.941   3.721
  836    HA   ASP 110           HA       ASP 110  14.133   4.862   3.343
  837    HB2  ASP 110           HB2      ASP 110  16.339   4.158   4.215
  838    HB3  ASP 110           HB1      ASP 110  16.516   3.059   2.844
  839    H    PHE 111           HN       PHE 111  12.973   5.246   1.599
  840    HA   PHE 111           HA       PHE 111  12.627   3.256  -0.445
  841    HB2  PHE 111           HB2      PHE 111  11.608   6.080  -0.157
  842    HB3  PHE 111           HB1      PHE 111  11.233   5.064  -1.542
  843    HD1  PHE 111           HD2      PHE 111  10.709   5.564   2.049
  844    HD2  PHE 111           HD1      PHE 111   9.696   3.224  -1.355
  845    HE1  PHE 111           HE2      PHE 111   8.824   4.590   3.285
  846    HE2  PHE 111           HE1      PHE 111   7.806   2.244  -0.125
  847    HZ   PHE 111           HZ       PHE 111   7.370   2.914   2.198
  848    H    GLY 112           HN       GLY 112  14.938   5.625   0.110
  849    HA2  GLY 112           HA2      GLY 112  15.469   6.408  -2.576
  850    HA3  GLY 112           HA1      GLY 112  16.558   6.586  -1.208
  851    H    SER 113           HN       SER 113  17.195   4.180  -0.397
  852    HA   SER 113           HA       SER 113  18.578   3.078  -2.723
  853    HB2  SER 113           HB2      SER 113  19.812   3.740  -0.613
  854    HB3  SER 113           HB1      SER 113  19.020   2.381   0.187
  855    HG   SER 113           HG       SER 113  20.577   2.140  -2.176
  856    H    ARG 114           HN       ARG 114  15.810   2.486  -0.988
  857    HA   ARG 114           HA       ARG 114  14.279   0.814  -1.001
  858    HB2  ARG 114           HB2      ARG 114  16.097  -0.261  -3.153
  859    HB3  ARG 114           HB1      ARG 114  14.592  -1.050  -2.684
  860    HG2  ARG 114           HG2      ARG 114  13.281   0.681  -3.507
  861    HG3  ARG 114           HG1      ARG 114  14.621   1.830  -3.498
  862    HD2  ARG 114           HD2      ARG 114  14.463  -0.585  -5.291
  863    HD3  ARG 114           HD1      ARG 114  13.967   1.040  -5.767
  864    HE   ARG 114           HE       ARG 114  16.483   1.451  -4.936
  865   HH11  ARG 114          HH11      ARG 114  15.123  -0.930  -7.115
  866   HH12  ARG 114          HH12      ARG 114  16.573  -1.080  -8.053
  867   HH21  ARG 114          HH21      ARG 114  18.381   1.287  -6.183
  868   HH22  ARG 114          HH22      ARG 114  18.427   0.173  -7.521
  869    H    THR 115           HN       THR 115  16.423   0.826   0.854
  870    HA   THR 115           HA       THR 115  16.535  -2.035   1.516
  871    HB   THR 115           HB       THR 115  18.569  -1.289   2.941
  872    HG1  THR 115           HG1      THR 115  19.121   0.615   1.011
  873   HG21  THR 115          HG21      THR 115  20.101  -1.609   1.035
  874   HG22  THR 115          HG22      THR 115  18.747  -1.388  -0.074
  875   HG23  THR 115          HG23      THR 115  18.776  -2.773   1.020
  876    H    GLN 116           HN       GLN 116  16.517  -2.470   3.890
  877    HA   GLN 116           HA       GLN 116  15.349  -0.316   5.475
  878    HB2  GLN 116           HB2      GLN 116  13.427  -1.644   6.150
  879    HB3  GLN 116           HB1      GLN 116  13.447  -1.482   4.401
  880    HG2  GLN 116           HG2      GLN 116  14.456  -3.743   4.258
  881    HG3  GLN 116           HG1      GLN 116  14.254  -3.896   6.003
  882   HE21  GLN 116          HE21      GLN 116  12.830  -5.602   5.886
  883   HE22  GLN 116          HE22      GLN 116  11.219  -5.440   5.284
  884    H    ALA 117           HN       ALA 117  15.407  -0.680   7.742
  885    HA   ALA 117           HA       ALA 117  17.653  -2.373   8.492
  886    HB1  ALA 117           HB1      ALA 117  17.596  -0.028   9.227
  887    HB2  ALA 117           HB2      ALA 117  17.635  -1.149  10.588
  888    HB3  ALA 117           HB3      ALA 117  16.123  -0.363  10.137
  889    H    ASP 118           HN       ASP 118  14.544  -2.989   8.103
  890    HA   ASP 118           HA       ASP 118  14.290  -4.600  10.557
  891    HB2  ASP 118           HB2      ASP 118  12.537  -2.766   9.983
  892    HB3  ASP 118           HB1      ASP 118  11.988  -3.898   8.748
  893    H    ALA 119           HN       ALA 119  13.470  -6.718  10.349
  894    HA   ALA 119           HA       ALA 119  14.429  -8.075   8.001
  895    HB1  ALA 119           HB1      ALA 119  13.890 -10.112   9.208
  896    HB2  ALA 119           HB2      ALA 119  13.015  -9.184  10.424
  897    HB3  ALA 119           HB3      ALA 119  14.760  -8.995  10.257
  898    H    LEU 120           HN       LEU 120  11.407  -6.881   9.134
  899    HA   LEU 120           HA       LEU 120  10.056  -7.551   6.738
  900    HB2  LEU 120           HB2      LEU 120  10.033  -9.774   7.876
  901    HB3  LEU 120           HB1      LEU 120   9.177  -9.046   9.215
  902    HG   LEU 120           HG       LEU 120   7.320  -8.488   7.621
  903   HD11  LEU 120          HD11      LEU 120   8.526  -8.560   5.540
  904   HD12  LEU 120          HD12      LEU 120   7.242  -9.766   5.520
  905   HD13  LEU 120          HD13      LEU 120   8.913 -10.262   5.786
  906   HD21  LEU 120          HD21      LEU 120   8.048 -11.386   7.983
  907   HD22  LEU 120          HD22      LEU 120   6.447 -10.781   7.563
  908   HD23  LEU 120          HD23      LEU 120   7.161 -10.374   9.122
  909    H    VAL 121           HN       VAL 121   8.684  -5.850   6.483
  910    HA   VAL 121           HA       VAL 121   7.530  -4.729   8.938
  911    HB   VAL 121           HB       VAL 121   9.182  -3.185   8.157
  912   HG11  VAL 121          HG11      VAL 121   7.771  -3.150   5.500
  913   HG12  VAL 121          HG12      VAL 121   9.336  -3.890   5.831
  914   HG13  VAL 121          HG13      VAL 121   9.141  -2.143   5.965
  915   HG21  VAL 121          HG21      VAL 121   6.426  -2.182   7.477
  916   HG22  VAL 121          HG22      VAL 121   7.833  -1.176   7.818
  917   HG23  VAL 121          HG23      VAL 121   7.164  -2.211   9.079
  918    H    LEU 122           HN       LEU 122   5.591  -5.604   8.939
  919    HA   LEU 122           HA       LEU 122   3.855  -5.219   6.591
  920    HB2  LEU 122           HB2      LEU 122   3.308  -7.015   8.952
  921    HB3  LEU 122           HB1      LEU 122   2.512  -7.024   7.393
  922    HG   LEU 122           HG       LEU 122   5.344  -7.925   7.953
  923   HD11  LEU 122          HD11      LEU 122   4.468 -10.142   7.325
  924   HD12  LEU 122          HD12      LEU 122   2.845  -9.458   7.251
  925   HD13  LEU 122          HD13      LEU 122   3.716  -9.499   8.783
  926   HD21  LEU 122          HD21      LEU 122   3.791  -7.933   5.369
  927   HD22  LEU 122          HD22      LEU 122   5.369  -8.675   5.626
  928   HD23  LEU 122          HD23      LEU 122   5.189  -6.925   5.743
  929    H    LEU 123           HN       LEU 123   2.764  -3.339   6.839
  930    HA   LEU 123           HA       LEU 123   2.218  -2.413   9.556
  931    HB2  LEU 123           HB2      LEU 123   1.958  -0.939   6.939
  932    HB3  LEU 123           HB1      LEU 123   1.768  -0.240   8.536
  933    HG   LEU 123           HG       LEU 123   4.319  -1.359   7.380
  934   HD11  LEU 123          HD11      LEU 123   3.518   1.469   8.044
  935   HD12  LEU 123          HD12      LEU 123   3.646   0.791   6.422
  936   HD13  LEU 123          HD13      LEU 123   5.087   0.948   7.428
  937   HD21  LEU 123          HD21      LEU 123   4.212  -1.751   9.782
  938   HD22  LEU 123          HD22      LEU 123   3.799  -0.058  10.051
  939   HD23  LEU 123          HD23      LEU 123   5.382  -0.490   9.406
  940    H    GLY 124           HN       GLY 124   0.339  -2.699  10.436
  941    HA2  GLY 124           HA2      GLY 124  -2.057  -2.775   8.712
  942    HA3  GLY 124           HA1      GLY 124  -1.907  -3.678  10.211
  943    H    GLY 125           HN       GLY 125  -4.063  -1.999   9.774
  944    HA2  GLY 125           HA2      GLY 125  -5.253  -0.555  11.133
  945    HA3  GLY 125           HA1      GLY 125  -3.791  -0.295  12.076
  946    H    LEU 126           HN       LEU 126  -3.587   0.187   8.663
  947    HA   LEU 126           HA       LEU 126  -3.111   2.994   9.020
  948    HB2  LEU 126           HB2      LEU 126  -3.107   1.155   6.655
  949    HB3  LEU 126           HB1      LEU 126  -3.112   2.892   6.411
  950    HG   LEU 126           HG       LEU 126  -1.004   3.039   7.729
  951   HD11  LEU 126          HD11      LEU 126   0.269   1.026   8.174
  952   HD12  LEU 126          HD12      LEU 126  -1.056   0.030   7.575
  953   HD13  LEU 126          HD13      LEU 126  -1.263   0.989   9.042
  954   HD21  LEU 126          HD21      LEU 126   0.425   2.124   5.966
  955   HD22  LEU 126          HD22      LEU 126  -0.964   2.985   5.303
  956   HD23  LEU 126          HD23      LEU 126  -0.948   1.222   5.325
  957    H    ASP 127           HN       ASP 127  -4.297   4.702   8.050
  958    HA   ASP 127           HA       ASP 127  -7.130   4.035   7.611
  959    HB2  ASP 127           HB2      ASP 127  -5.992   6.380   9.153
  960    HB3  ASP 127           HB1      ASP 127  -7.689   6.228   8.699
  961    H    PHE 128           HN       PHE 128  -8.345   5.694   6.418
  962    HA   PHE 128           HA       PHE 128  -6.658   6.952   4.356
  963    HB2  PHE 128           HB2      PHE 128  -9.394   5.722   4.253
  964    HB3  PHE 128           HB1      PHE 128  -8.951   6.964   3.092
  965    HD1  PHE 128           HD1      PHE 128  -6.958   6.572   1.602
  966    HD2  PHE 128           HD2      PHE 128  -8.706   3.488   3.963
  967    HE1  PHE 128           HE1      PHE 128  -5.901   4.876   0.168
  968    HE2  PHE 128           HE2      PHE 128  -7.651   1.792   2.533
  969    HZ   PHE 128           HZ       PHE 128  -6.245   2.482   0.631
  970    H    GLU 129           HN       GLU 129  -7.180   8.150   6.877
  971    HA   GLU 129           HA       GLU 129  -9.221  10.131   6.552
  972    HB2  GLU 129           HB2      GLU 129  -6.902  10.013   8.493
  973    HB3  GLU 129           HB1      GLU 129  -8.234  11.156   8.573
  974    HG2  GLU 129           HG2      GLU 129  -9.796   9.298   8.892
  975    HG3  GLU 129           HG1      GLU 129  -8.445   8.168   8.850
  976    H    ALA 130           HN       ALA 130  -9.066  11.858   5.305
  977    HA   ALA 130           HA       ALA 130  -6.491  13.192   4.997
  978    HB1  ALA 130           HB1      ALA 130  -8.156  12.293   2.646
  979    HB2  ALA 130           HB2      ALA 130  -6.586  11.643   3.114
  980    HB3  ALA 130           HB3      ALA 130  -6.719  13.312   2.561
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -30.018 -15.099   5.102
    2    H2   GLY   1           HT2      GLY   1 -28.751 -16.118   4.644
    3    H3   GLY   1           HT3      GLY   1 -29.206 -14.841   3.640
    4    HA2  GLY   1           HA1      GLY   1 -28.514 -13.249   5.327
    5    HA3  GLY   1           HA2      GLY   1 -28.011 -14.594   6.339
    6    H    ALA   2           HN       ALA   2 -27.104 -12.430   3.906
    7    HA   ALA   2           HA       ALA   2 -24.637 -13.967   3.403
    8    HB1  ALA   2           HB1      ALA   2 -25.962 -13.621   1.377
    9    HB2  ALA   2           HB2      ALA   2 -24.436 -12.741   1.295
   10    HB3  ALA   2           HB3      ALA   2 -25.935 -11.880   1.649
   11    H    MET   3           HN       MET   3 -25.590 -11.841   5.461
   12    HA   MET   3           HA       MET   3 -23.750  -9.670   5.017
   13    HB2  MET   3           HB2      MET   3 -24.491  -8.877   7.238
   14    HB3  MET   3           HB1      MET   3 -25.850  -9.226   6.180
   15    HG2  MET   3           HG2      MET   3 -26.082 -11.431   7.318
   16    HG3  MET   3           HG1      MET   3 -24.827 -10.920   8.446
   17    HE1  MET   3           HE1      MET   3 -26.525  -7.878  10.237
   18    HE2  MET   3           HE2      MET   3 -25.525  -7.795   8.787
   19    HE3  MET   3           HE3      MET   3 -25.076  -8.873  10.107
   20    H    GLY   4           HN       GLY   4 -22.142  -9.093   6.770
   21    HA2  GLY   4           HA2      GLY   4 -20.284  -9.642   8.022
   22    HA3  GLY   4           HA1      GLY   4 -20.978 -11.239   8.275
   23    H    MET   5           HN       MET   5 -20.329  -9.684   5.197
   24    HA   MET   5           HA       MET   5 -18.084 -11.483   4.681
   25    HB2  MET   5           HB2      MET   5 -20.526 -11.317   2.897
   26    HB3  MET   5           HB1      MET   5 -19.041 -12.165   2.501
   27    HG2  MET   5           HG2      MET   5 -19.422 -13.712   4.345
   28    HG3  MET   5           HG1      MET   5 -20.898 -12.846   4.774
   29    HE1  MET   5           HE1      MET   5 -22.329 -15.089   4.649
   30    HE2  MET   5           HE2      MET   5 -20.839 -15.960   4.292
   31    HE3  MET   5           HE3      MET   5 -22.265 -16.201   3.283
   32    H    SER   6           HN       SER   6 -20.248  -9.209   3.015
   33    HA   SER   6           HA       SER   6 -19.879  -7.511   1.563
   34    HB2  SER   6           HB2      SER   6 -17.411  -7.080   3.259
   35    HB3  SER   6           HB1      SER   6 -18.172  -5.886   2.211
   36    HG   SER   6           HG       SER   6 -19.249  -7.079   4.552
   37    HA   PRO   7           HA       PRO   7 -16.514  -9.970  -0.640
   38    HB2  PRO   7           HB2      PRO   7 -17.992 -11.369  -2.393
   39    HB3  PRO   7           HB1      PRO   7 -17.738 -11.931  -0.738
   40    HG2  PRO   7           HG2      PRO   7 -20.104 -10.544  -1.927
   41    HG3  PRO   7           HG1      PRO   7 -20.054 -11.906  -0.795
   42    HD2  PRO   7           HD2      PRO   7 -20.500  -9.301  -0.045
   43    HD3  PRO   7           HD1      PRO   7 -19.808 -10.533   1.027
   44    H    ASP   8           HN       ASP   8 -19.320  -8.226  -1.741
   45    HA   ASP   8           HA       ASP   8 -18.238  -7.659  -4.356
   46    HB2  ASP   8           HB2      ASP   8 -20.243  -6.314  -4.679
   47    HB3  ASP   8           HB1      ASP   8 -20.684  -7.863  -3.972
   48    H    THR   9           HN       THR   9 -18.597  -6.018  -1.262
   49    HA   THR   9           HA       THR   9 -17.522  -3.527  -2.033
   50    HB   THR   9           HB       THR   9 -17.368  -4.861   0.677
   51    HG1  THR   9           HG1      THR   9 -19.455  -3.707  -0.747
   52   HG21  THR   9          HG21      THR   9 -17.301  -2.542   1.521
   53   HG22  THR   9          HG22      THR   9 -17.237  -1.958  -0.142
   54   HG23  THR   9          HG23      THR   9 -15.911  -2.923   0.505
   55    H    ALA  10           HN       ALA  10 -16.079  -6.448  -0.677
   56    HA   ALA  10           HA       ALA  10 -13.434  -5.519  -0.502
   57    HB1  ALA  10           HB1      ALA  10 -14.403  -8.344  -0.905
   58    HB2  ALA  10           HB2      ALA  10 -14.205  -7.532   0.647
   59    HB3  ALA  10           HB3      ALA  10 -12.795  -7.868  -0.358
   60    H    ARG  11           HN       ARG  11 -15.214  -7.121  -3.099
   61    HA   ARG  11           HA       ARG  11 -12.978  -7.430  -4.814
   62    HB2  ARG  11           HB2      ARG  11 -15.005  -8.784  -5.081
   63    HB3  ARG  11           HB1      ARG  11 -15.918  -7.344  -5.510
   64    HG2  ARG  11           HG2      ARG  11 -14.582  -7.054  -7.508
   65    HG3  ARG  11           HG1      ARG  11 -13.579  -8.433  -7.061
   66    HD2  ARG  11           HD2      ARG  11 -15.553  -9.892  -7.214
   67    HD3  ARG  11           HD1      ARG  11 -16.522  -8.505  -7.712
   68    HE   ARG  11           HE       ARG  11 -14.566  -8.465  -9.528
   69   HH11  ARG  11          HH11      ARG  11 -16.605 -11.070  -8.392
   70   HH12  ARG  11          HH12      ARG  11 -16.497 -11.967  -9.872
   71   HH21  ARG  11          HH21      ARG  11 -14.421  -9.636 -11.471
   72   HH22  ARG  11          HH22      ARG  11 -15.251 -11.150 -11.628
   73    H    ARG  12           HN       ARG  12 -15.378  -4.887  -4.392
   74    HA   ARG  12           HA       ARG  12 -14.794  -3.407  -6.707
   75    HB2  ARG  12           HB2      ARG  12 -16.764  -3.114  -5.127
   76    HB3  ARG  12           HB1      ARG  12 -15.668  -2.240  -4.069
   77    HG2  ARG  12           HG2      ARG  12 -15.259  -0.600  -5.832
   78    HG3  ARG  12           HG1      ARG  12 -16.363  -1.473  -6.895
   79    HD2  ARG  12           HD2      ARG  12 -17.041  -0.097  -4.300
   80    HD3  ARG  12           HD1      ARG  12 -17.521   0.398  -5.922
   81    HE   ARG  12           HE       ARG  12 -18.402  -2.193  -4.850
   82   HH11  ARG  12          HH11      ARG  12 -19.173   1.011  -6.037
   83   HH12  ARG  12          HH12      ARG  12 -20.871   0.688  -6.165
   84   HH21  ARG  12          HH21      ARG  12 -20.626  -2.607  -4.989
   85   HH22  ARG  12          HH22      ARG  12 -21.698  -1.373  -5.570
   86    H    PHE  13           HN       PHE  13 -13.561  -3.119  -3.391
   87    HA   PHE  13           HA       PHE  13 -11.763  -1.012  -3.891
   88    HB2  PHE  13           HB2      PHE  13 -12.449  -1.692  -1.621
   89    HB3  PHE  13           HB1      PHE  13 -11.593  -3.212  -1.812
   90    HD1  PHE  13           HD2      PHE  13  -9.166  -3.297  -1.715
   91    HD2  PHE  13           HD1      PHE  13 -11.260   0.376  -1.221
   92    HE1  PHE  13           HE2      PHE  13  -7.129  -2.260  -0.809
   93    HE2  PHE  13           HE1      PHE  13  -9.225   1.421  -0.320
   94    HZ   PHE  13           HZ       PHE  13  -7.158   0.093  -0.093
   95    H    ASP  14           HN       ASP  14 -11.427  -4.512  -4.040
   96    HA   ASP  14           HA       ASP  14  -8.676  -4.643  -4.557
   97    HB2  ASP  14           HB2      ASP  14 -10.084  -6.566  -3.872
   98    HB3  ASP  14           HB1      ASP  14 -10.842  -6.547  -5.460
   99    H    THR  15           HN       THR  15 -11.436  -4.282  -6.696
  100    HA   THR  15           HA       THR  15  -9.863  -4.749  -9.062
  101    HB   THR  15           HB       THR  15 -12.700  -3.732  -8.889
  102    HG1  THR  15           HG1      THR  15 -12.379  -5.801  -7.870
  103   HG21  THR  15          HG21      THR  15 -11.640  -3.381 -11.073
  104   HG22  THR  15          HG22      THR  15 -12.897  -4.614 -11.162
  105   HG23  THR  15          HG23      THR  15 -11.198  -5.088 -11.133
  106    H    GLU  16           HN       GLU  16 -11.349  -1.865  -7.543
  107    HA   GLU  16           HA       GLU  16 -10.232  -0.289  -9.749
  108    HB2  GLU  16           HB2      GLU  16 -12.627   0.020  -9.246
  109    HB3  GLU  16           HB1      GLU  16 -12.196   0.592  -7.639
  110    HG2  GLU  16           HG2      GLU  16 -12.672   2.444  -9.162
  111    HG3  GLU  16           HG1      GLU  16 -11.001   2.472  -8.595
  112    H    PHE  17           HN       PHE  17 -10.179  -0.433  -6.195
  113    HA   PHE  17           HA       PHE  17  -8.683   2.033  -6.075
  114    HB2  PHE  17           HB2      PHE  17  -9.648   0.141  -3.935
  115    HB3  PHE  17           HB1      PHE  17  -8.679   1.565  -3.583
  116    HD1  PHE  17           HD2      PHE  17 -11.833   0.542  -5.284
  117    HD2  PHE  17           HD1      PHE  17  -9.739   3.595  -3.175
  118    HE1  PHE  17           HE2      PHE  17 -13.876   1.910  -5.238
  119    HE2  PHE  17           HE1      PHE  17 -11.780   4.966  -3.130
  120    HZ   PHE  17           HZ       PHE  17 -13.849   4.126  -4.101
  121    H    ALA  18           HN       ALA  18  -8.020  -1.367  -5.251
  122    HA   ALA  18           HA       ALA  18  -5.483  -0.992  -4.200
  123    HB1  ALA  18           HB1      ALA  18  -5.101  -3.346  -4.547
  124    HB2  ALA  18           HB2      ALA  18  -6.429  -3.422  -5.701
  125    HB3  ALA  18           HB3      ALA  18  -6.756  -3.078  -4.003
  126    HA   PRO  19           HA       PRO  19  -3.639  -1.694  -8.712
  127    HB2  PRO  19           HB2      PRO  19  -5.874  -0.407 -10.215
  128    HB3  PRO  19           HB1      PRO  19  -4.814  -1.742 -10.697
  129    HG2  PRO  19           HG2      PRO  19  -7.302  -2.241  -9.973
  130    HG3  PRO  19           HG1      PRO  19  -5.987  -3.297  -9.421
  131    HD2  PRO  19           HD2      PRO  19  -7.430  -1.135  -7.928
  132    HD3  PRO  19           HD1      PRO  19  -6.947  -2.751  -7.377
  133    H    ARG  20           HN       ARG  20  -5.765   1.000  -7.847
  134    HA   ARG  20           HA       ARG  20  -4.230   3.014  -9.152
  135    HB2  ARG  20           HB2      ARG  20  -6.113   3.304  -6.801
  136    HB3  ARG  20           HB1      ARG  20  -5.487   4.621  -7.779
  137    HG2  ARG  20           HG2      ARG  20  -7.310   2.420  -8.716
  138    HG3  ARG  20           HG1      ARG  20  -7.765   4.091  -8.391
  139    HD2  ARG  20           HD2      ARG  20  -6.319   4.852 -10.188
  140    HD3  ARG  20           HD1      ARG  20  -5.792   3.196 -10.489
  141    HE   ARG  20           HE       ARG  20  -8.464   2.999 -10.760
  142   HH11  ARG  20          HH11      ARG  20  -6.134   5.239 -12.133
  143   HH12  ARG  20          HH12      ARG  20  -7.048   5.485 -13.586
  144   HH21  ARG  20          HH21      ARG  20  -9.644   3.320 -12.657
  145   HH22  ARG  20          HH22      ARG  20  -9.045   4.387 -13.890
  146    H    ILE  21           HN       ILE  21  -4.270   1.648  -5.917
  147    HA   ILE  21           HA       ILE  21  -2.431   3.448  -4.748
  148    HB   ILE  21           HB       ILE  21  -2.894   0.563  -3.971
  149   HG12  ILE  21          HG12      ILE  21  -4.304   3.037  -2.939
  150   HG13  ILE  21          HG11      ILE  21  -5.006   1.900  -4.084
  151   HG21  ILE  21          HG21      ILE  21  -2.114   1.235  -1.780
  152   HG22  ILE  21          HG22      ILE  21  -1.943   2.902  -2.318
  153   HG23  ILE  21          HG23      ILE  21  -0.900   1.648  -2.989
  154   HD11  ILE  21          HD11      ILE  21  -5.862   1.432  -1.902
  155   HD12  ILE  21          HD12      ILE  21  -4.236   1.354  -1.226
  156   HD13  ILE  21          HD13      ILE  21  -4.777   0.120  -2.364
  157    H    ALA  22           HN       ALA  22  -2.046   0.208  -6.142
  158    HA   ALA  22           HA       ALA  22   0.728   0.010  -5.712
  159    HB1  ALA  22           HB1      ALA  22   0.650  -1.868  -7.256
  160    HB2  ALA  22           HB2      ALA  22  -0.955  -1.373  -7.792
  161    HB3  ALA  22           HB3      ALA  22  -0.711  -1.923  -6.135
  162    H    ARG  23           HN       ARG  23  -1.149   1.268  -8.406
  163    HA   ARG  23           HA       ARG  23   1.050   1.588 -10.176
  164    HB2  ARG  23           HB2      ARG  23  -1.248   1.472 -10.993
  165    HB3  ARG  23           HB1      ARG  23  -1.654   2.939 -10.118
  166    HG2  ARG  23           HG2      ARG  23  -0.133   4.216 -11.534
  167    HG3  ARG  23           HG1      ARG  23   0.294   2.742 -12.408
  168    HD2  ARG  23           HD2      ARG  23  -1.976   2.490 -13.178
  169    HD3  ARG  23           HD1      ARG  23  -2.497   3.861 -12.201
  170    HE   ARG  23           HE       ARG  23  -0.441   4.573 -14.053
  171   HH11  ARG  23          HH11      ARG  23  -3.865   3.963 -13.758
  172   HH12  ARG  23          HH12      ARG  23  -4.300   5.003 -15.077
  173   HH21  ARG  23          HH21      ARG  23  -0.999   5.943 -15.801
  174   HH22  ARG  23          HH22      ARG  23  -2.669   6.135 -16.238
  175    H    ALA  24           HN       ALA  24  -0.614   3.753  -7.921
  176    HA   ALA  24           HA       ALA  24   0.844   6.078  -8.537
  177    HB1  ALA  24           HB1      ALA  24   0.022   6.952  -6.422
  178    HB2  ALA  24           HB2      ALA  24  -0.456   5.329  -5.923
  179    HB3  ALA  24           HB3      ALA  24  -1.264   6.106  -7.285
  180    H    ILE  25           HN       ILE  25   1.357   3.537  -6.131
  181    HA   ILE  25           HA       ILE  25   3.659   4.661  -4.948
  182    HB   ILE  25           HB       ILE  25   2.770   1.777  -5.128
  183   HG12  ILE  25          HG12      ILE  25   2.575   3.798  -2.876
  184   HG13  ILE  25          HG11      ILE  25   1.241   3.284  -3.904
  185   HG21  ILE  25          HG21      ILE  25   5.155   1.839  -4.747
  186   HG22  ILE  25          HG22      ILE  25   4.330   1.371  -3.260
  187   HG23  ILE  25          HG23      ILE  25   4.949   3.013  -3.447
  188   HD11  ILE  25          HD11      ILE  25   1.429   1.023  -3.045
  189   HD12  ILE  25          HD12      ILE  25   1.203   2.179  -1.732
  190   HD13  ILE  25          HD13      ILE  25   2.801   1.504  -2.049
  191    H    ALA  26           HN       ALA  26   3.242   2.306  -7.565
  192    HA   ALA  26           HA       ALA  26   5.932   1.747  -8.053
  193    HB1  ALA  26           HB1      ALA  26   3.638   1.829 -10.011
  194    HB2  ALA  26           HB2      ALA  26   4.115   0.450  -9.021
  195    HB3  ALA  26           HB3      ALA  26   5.194   1.044 -10.283
  196    H    ASP  27           HN       ASP  27   3.856   4.315  -9.244
  197    HA   ASP  27           HA       ASP  27   5.765   5.479 -10.999
  198    HB2  ASP  27           HB2      ASP  27   3.477   5.966 -11.419
  199    HB3  ASP  27           HB1      ASP  27   3.203   6.477  -9.758
  200    H    LEU  28           HN       LEU  28   4.876   5.971  -7.646
  201    HA   LEU  28           HA       LEU  28   6.277   8.375  -7.208
  202    HB2  LEU  28           HB2      LEU  28   4.476   7.282  -5.756
  203    HB3  LEU  28           HB1      LEU  28   5.733   6.228  -5.153
  204    HG   LEU  28           HG       LEU  28   5.102   8.194  -3.693
  205   HD11  LEU  28          HD11      LEU  28   7.407   8.678  -3.040
  206   HD12  LEU  28          HD12      LEU  28   7.981   7.945  -4.537
  207   HD13  LEU  28          HD13      LEU  28   7.155   6.957  -3.332
  208   HD21  LEU  28          HD21      LEU  28   6.078  10.358  -4.249
  209   HD22  LEU  28          HD22      LEU  28   4.900   9.860  -5.461
  210   HD23  LEU  28          HD23      LEU  28   6.624   9.720  -5.797
  211    H    LEU  29           HN       LEU  29   7.175   4.981  -7.013
  212    HA   LEU  29           HA       LEU  29   9.855   5.662  -6.098
  213    HB2  LEU  29           HB2      LEU  29   8.646   2.966  -6.726
  214    HB3  LEU  29           HB1      LEU  29  10.181   3.250  -5.926
  215    HG   LEU  29           HG       LEU  29   7.472   3.990  -4.824
  216   HD11  LEU  29          HD11      LEU  29   9.370   1.788  -4.035
  217   HD12  LEU  29          HD12      LEU  29   7.831   1.579  -4.871
  218   HD13  LEU  29          HD13      LEU  29   7.862   2.198  -3.219
  219   HD21  LEU  29          HD21      LEU  29   8.748   4.391  -2.729
  220   HD22  LEU  29          HD22      LEU  29   9.124   5.532  -4.018
  221   HD23  LEU  29          HD23      LEU  29  10.240   4.217  -3.654
  222    H    ASN  30           HN       ASN  30   8.429   5.895  -8.921
  223    HA   ASN  30           HA       ASN  30   9.026   5.875 -11.105
  224    HB2  ASN  30           HB2      ASN  30  11.767   6.136  -9.853
  225    HB3  ASN  30           HB1      ASN  30  11.443   6.361 -11.568
  226   HD21  ASN  30          HD21      ASN  30  10.417   8.211 -12.261
  227   HD22  ASN  30          HD22      ASN  30  10.136   9.570 -11.229
  228    H    HIS  31           HN       HIS  31   8.655   3.323  -9.952
  229    HA   HIS  31           HA       HIS  31   8.842   1.127 -10.477
  230    HB2  HIS  31           HB2      HIS  31  10.203   2.223 -12.941
  231    HB3  HIS  31           HB1      HIS  31   9.795   0.526 -12.723
  232    HD1  HIS  31           HD1      HIS  31   8.640   2.735 -14.846
  233    HD2  HIS  31           HD2      HIS  31   6.712   1.037 -11.579
  234    HE1  HIS  31           HE1      HIS  31   6.180   2.925 -15.336
  235    HE2  HIS  31           HE2      HIS  31   5.035   2.026 -13.277
  236    H    ARG  32           HN       ARG  32  11.200   2.681  -9.157
  237    HA   ARG  32           HA       ARG  32  13.475   1.032  -9.708
  238    HB2  ARG  32           HB2      ARG  32  12.811   2.928  -7.458
  239    HB3  ARG  32           HB1      ARG  32  14.307   2.008  -7.493
  240    HG2  ARG  32           HG2      ARG  32  13.426   3.935  -9.628
  241    HG3  ARG  32           HG1      ARG  32  14.560   4.307  -8.330
  242    HD2  ARG  32           HD2      ARG  32  15.970   2.404  -9.159
  243    HD3  ARG  32           HD1      ARG  32  14.894   2.303 -10.551
  244    HE   ARG  32           HE       ARG  32  15.718   4.926 -10.438
  245   HH11  ARG  32          HH11      ARG  32  17.252   1.797 -10.742
  246   HH12  ARG  32          HH12      ARG  32  18.606   2.400 -11.644
  247   HH21  ARG  32          HH21      ARG  32  17.506   5.735 -11.623
  248   HH22  ARG  32          HH22      ARG  32  18.742   4.642 -12.152
  249    H    ALA  33           HN       ALA  33  10.724   0.847  -7.664
  250    HA   ALA  33           HA       ALA  33  11.663  -1.754  -6.658
  251    HB1  ALA  33           HB1      ALA  33  10.097  -1.480  -4.799
  252    HB2  ALA  33           HB2      ALA  33   9.603   0.088  -5.438
  253    HB3  ALA  33           HB3      ALA  33  11.249  -0.146  -4.850
  254    H    HIS  34           HN       HIS  34   9.879  -3.366  -6.444
  255    HA   HIS  34           HA       HIS  34   8.004  -3.060  -8.699
  256    HB2  HIS  34           HB2      HIS  34   9.725  -4.844  -8.979
  257    HB3  HIS  34           HB1      HIS  34   9.151  -5.605  -7.501
  258    HD1  HIS  34           HD1      HIS  34   8.442  -5.308 -11.120
  259    HD2  HIS  34           HD2      HIS  34   6.588  -6.861  -7.738
  260    HE1  HIS  34           HE1      HIS  34   6.625  -6.816 -11.976
  261    HE2  HIS  34           HE2      HIS  34   5.414  -7.609  -9.915
  262    H    THR  35           HN       THR  35   5.878  -3.165  -8.272
  263    HA   THR  35           HA       THR  35   5.128  -3.831  -5.507
  264    HB   THR  35           HB       THR  35   3.091  -2.403  -5.983
  265    HG1  THR  35           HG1      THR  35   3.130  -1.090  -7.768
  266   HG21  THR  35          HG21      THR  35   5.787  -1.049  -6.113
  267   HG22  THR  35          HG22      THR  35   5.006  -1.631  -4.644
  268   HG23  THR  35          HG23      THR  35   4.280  -0.312  -5.566
  269    H    ASP  36           HN       ASP  36   3.251  -5.024  -5.122
  270    HA   ASP  36           HA       ASP  36   2.046  -6.360  -7.434
  271    HB2  ASP  36           HB2      ASP  36   3.857  -7.836  -6.593
  272    HB3  ASP  36           HB1      ASP  36   3.119  -7.813  -4.996
  273    H    VAL  37           HN       VAL  37  -0.077  -6.960  -7.137
  274    HA   VAL  37           HA       VAL  37  -1.320  -5.742  -4.769
  275    HB   VAL  37           HB       VAL  37  -2.653  -6.432  -7.392
  276   HG11  VAL  37          HG11      VAL  37  -4.168  -6.329  -5.474
  277   HG12  VAL  37          HG12      VAL  37  -4.453  -4.994  -6.591
  278   HG13  VAL  37          HG13      VAL  37  -3.572  -4.713  -5.090
  279   HG21  VAL  37          HG21      VAL  37  -0.972  -4.723  -7.771
  280   HG22  VAL  37          HG22      VAL  37  -1.608  -3.772  -6.429
  281   HG23  VAL  37          HG23      VAL  37  -2.588  -4.024  -7.873
  282    H    VAL  38           HN       VAL  38  -1.688  -7.217  -3.255
  283    HA   VAL  38           HA       VAL  38  -2.191  -9.971  -3.775
  284    HB   VAL  38           HB       VAL  38  -2.673  -8.339  -1.275
  285   HG11  VAL  38          HG11      VAL  38  -4.053 -10.320  -1.229
  286   HG12  VAL  38          HG12      VAL  38  -2.707 -10.504  -0.104
  287   HG13  VAL  38          HG13      VAL  38  -2.670 -11.323  -1.663
  288   HG21  VAL  38          HG21      VAL  38  -0.596  -9.366  -0.481
  289   HG22  VAL  38          HG22      VAL  38  -0.332  -8.400  -1.932
  290   HG23  VAL  38          HG23      VAL  38  -0.397 -10.158  -2.044
  291    H    GLY  39           HN       GLY  39  -3.990 -10.697  -4.677
  292    HA2  GLY  39           HA2      GLY  39  -6.325  -9.003  -4.782
  293    HA3  GLY  39           HA1      GLY  39  -6.087 -10.510  -5.653
  294    H    TYR  40           HN       TYR  40  -8.319  -9.404  -4.022
  295    HA   TYR  40           HA       TYR  40  -8.607 -11.143  -1.765
  296    HB2  TYR  40           HB2      TYR  40  -9.800  -8.935  -2.079
  297    HB3  TYR  40           HB1      TYR  40 -10.782  -9.714  -3.318
  298    HD1  TYR  40           HD1      TYR  40  -9.998  -9.674   0.305
  299    HD2  TYR  40           HD2      TYR  40 -12.614 -11.109  -2.734
  300    HE1  TYR  40           HE1      TYR  40 -11.575 -10.451   2.029
  301    HE2  TYR  40           HE2      TYR  40 -14.194 -11.883  -1.016
  302    HH   TYR  40           HH       TYR  40 -14.157 -12.547   1.338
  303    H    GLY  41           HN       GLY  41  -9.082 -13.244  -1.831
  304    HA2  GLY  41           HA2      GLY  41 -10.115 -14.367  -4.339
  305    HA3  GLY  41           HA1      GLY  41  -9.318 -15.275  -3.056
  306    H    GLY  42           HN       GLY  42 -10.572 -16.407  -1.723
  307    HA2  GLY  42           HA2      GLY  42 -13.421 -16.315  -2.024
  308    HA3  GLY  42           HA1      GLY  42 -12.522 -17.333  -0.904
  309    H    HIS  43           HN       HIS  43 -11.232 -15.651   0.700
  310    HA   HIS  43           HA       HIS  43 -12.647 -13.425   1.665
  311    HB2  HIS  43           HB2      HIS  43 -14.278 -15.398   2.126
  312    HB3  HIS  43           HB1      HIS  43 -13.145 -15.848   3.396
  313    HD1  HIS  43           HD1      HIS  43 -16.184 -14.783   3.669
  314    HD2  HIS  43           HD2      HIS  43 -12.696 -12.669   4.472
  315    HE1  HIS  43           HE1      HIS  43 -16.843 -12.987   5.295
  316    HE2  HIS  43           HE2      HIS  43 -14.758 -11.617   5.625
  317    H    GLY  44           HN       GLY  44 -10.614 -16.199   2.323
  318    HA2  GLY  44           HA2      GLY  44  -9.570 -15.382   4.799
  319    HA3  GLY  44           HA1      GLY  44  -8.846 -16.553   3.721
  320    H    HIS  45           HN       HIS  45  -8.540 -14.599   1.528
  321    HA   HIS  45           HA       HIS  45  -6.203 -13.227   2.659
  322    HB2  HIS  45           HB2      HIS  45  -6.830 -14.109  -0.157
  323    HB3  HIS  45           HB1      HIS  45  -5.521 -12.992   0.207
  324    HD1  HIS  45           HD1      HIS  45  -6.071 -16.450  -0.338
  325    HD2  HIS  45           HD2      HIS  45  -3.710 -14.259   2.288
  326    HE1  HIS  45           HE1      HIS  45  -4.288 -18.036   0.451
  327    HE2  HIS  45           HE2      HIS  45  -2.798 -16.652   1.939
  328    HA   PRO  46           HA       PRO  46  -8.620  -9.504   1.941
  329    HB2  PRO  46           HB2      PRO  46  -7.218  -7.938   3.629
  330    HB3  PRO  46           HB1      PRO  46  -8.403  -9.119   4.213
  331    HG2  PRO  46           HG2      PRO  46  -5.420  -9.294   4.137
  332    HG3  PRO  46           HG1      PRO  46  -6.546  -9.856   5.386
  333    HD2  PRO  46           HD2      PRO  46  -5.387 -11.468   3.464
  334    HD3  PRO  46           HD1      PRO  46  -6.882 -11.852   4.338
  335    H    THR  47           HN       THR  47  -8.275  -7.885   0.511
  336    HA   THR  47           HA       THR  47  -6.032  -7.846  -1.146
  337    HB   THR  47           HB       THR  47  -8.064  -5.646  -0.716
  338    HG1  THR  47           HG1      THR  47  -8.226  -7.395  -2.890
  339   HG21  THR  47          HG21      THR  47  -6.323  -6.240  -3.121
  340   HG22  THR  47          HG22      THR  47  -6.055  -4.927  -1.975
  341   HG23  THR  47          HG23      THR  47  -7.503  -4.937  -2.978
  342    H    GLN  48           HN       GLN  48  -4.231  -6.626  -1.233
  343    HA   GLN  48           HA       GLN  48  -3.736  -4.347   0.391
  344    HB2  GLN  48           HB2      GLN  48  -2.000  -5.270   1.843
  345    HB3  GLN  48           HB1      GLN  48  -3.536  -6.066   2.147
  346    HG2  GLN  48           HG2      GLN  48  -2.785  -7.959   0.749
  347    HG3  GLN  48           HG1      GLN  48  -1.222  -7.166   0.568
  348   HE21  GLN  48          HE21      GLN  48  -3.319  -8.922   2.699
  349   HE22  GLN  48          HE22      GLN  48  -2.155  -9.184   3.953
  350    H    VAL  49           HN       VAL  49  -1.509  -3.524   0.033
  351    HA   VAL  49           HA       VAL  49  -0.467  -4.596  -2.502
  352    HB   VAL  49           HB       VAL  49  -1.431  -2.402  -2.857
  353   HG11  VAL  49          HG11      VAL  49  -0.518  -0.402  -1.771
  354   HG12  VAL  49          HG12      VAL  49   0.495  -1.424  -0.753
  355   HG13  VAL  49          HG13      VAL  49  -1.260  -1.499  -0.606
  356   HG21  VAL  49          HG21      VAL  49   0.532  -2.988  -4.161
  357   HG22  VAL  49          HG22      VAL  49   1.584  -2.335  -2.906
  358   HG23  VAL  49          HG23      VAL  49   0.520  -1.260  -3.811
  359    H    ARG  50           HN       ARG  50   1.435  -5.460  -2.414
  360    HA   ARG  50           HA       ARG  50   3.225  -4.762  -0.200
  361    HB2  ARG  50           HB2      ARG  50   4.398  -6.906  -0.793
  362    HB3  ARG  50           HB1      ARG  50   2.751  -7.098  -0.210
  363    HG2  ARG  50           HG2      ARG  50   1.987  -7.334  -2.544
  364    HG3  ARG  50           HG1      ARG  50   3.668  -7.234  -3.072
  365    HD2  ARG  50           HD2      ARG  50   4.226  -9.250  -1.915
  366    HD3  ARG  50           HD1      ARG  50   2.646  -9.300  -1.133
  367    HE   ARG  50           HE       ARG  50   2.186  -9.330  -3.877
  368   HH11  ARG  50          HH11      ARG  50   3.769 -11.380  -1.511
  369   HH12  ARG  50          HH12      ARG  50   3.424 -12.848  -2.370
  370   HH21  ARG  50          HH21      ARG  50   1.748 -11.231  -5.006
  371   HH22  ARG  50          HH22      ARG  50   2.265 -12.766  -4.368
  372    H    ILE  51           HN       ILE  51   5.185  -3.930  -0.517
  373    HA   ILE  51           HA       ILE  51   6.000  -3.393  -3.295
  374    HB   ILE  51           HB       ILE  51   7.020  -1.960  -0.836
  375   HG12  ILE  51          HG12      ILE  51   4.807  -1.068  -2.702
  376   HG13  ILE  51          HG11      ILE  51   4.566  -1.642  -1.054
  377   HG21  ILE  51          HG21      ILE  51   7.055  -1.222  -3.762
  378   HG22  ILE  51          HG22      ILE  51   8.422  -1.858  -2.849
  379   HG23  ILE  51          HG23      ILE  51   7.749  -0.279  -2.445
  380   HD11  ILE  51          HD11      ILE  51   6.003   0.243  -0.278
  381   HD12  ILE  51          HD12      ILE  51   4.486   0.732  -1.028
  382   HD13  ILE  51          HD13      ILE  51   5.997   0.851  -1.931
  383    H    VAL  52           HN       VAL  52   7.651  -4.534  -4.006
  384    HA   VAL  52           HA       VAL  52   9.516  -5.692  -2.046
  385    HB   VAL  52           HB       VAL  52   8.776  -6.811  -4.764
  386   HG11  VAL  52          HG11      VAL  52  11.053  -7.372  -4.028
  387   HG12  VAL  52          HG12      VAL  52  10.003  -8.788  -4.085
  388   HG13  VAL  52          HG13      VAL  52  10.392  -8.044  -2.535
  389   HG21  VAL  52          HG21      VAL  52   7.928  -7.730  -2.017
  390   HG22  VAL  52          HG22      VAL  52   7.584  -8.562  -3.534
  391   HG23  VAL  52          HG23      VAL  52   6.894  -6.968  -3.225
  392    H    ALA  53           HN       ALA  53  11.623  -5.258  -2.293
  393    HA   ALA  53           HA       ALA  53  12.419  -3.736  -4.688
  394    HB1  ALA  53           HB1      ALA  53  12.464  -2.391  -2.638
  395    HB2  ALA  53           HB2      ALA  53  14.078  -2.608  -3.317
  396    HB3  ALA  53           HB3      ALA  53  13.580  -3.550  -1.912
  397    HA   PRO  54           HA       PRO  54  15.012  -7.377  -5.266
  398    HB2  PRO  54           HB2      PRO  54  15.928  -6.022  -7.692
  399    HB3  PRO  54           HB1      PRO  54  15.022  -7.532  -7.532
  400    HG2  PRO  54           HG2      PRO  54  13.944  -5.250  -8.531
  401    HG3  PRO  54           HG1      PRO  54  12.993  -6.479  -7.679
  402    HD2  PRO  54           HD2      PRO  54  14.021  -3.848  -6.694
  403    HD3  PRO  54           HD1      PRO  54  12.479  -4.661  -6.355
  404    H    HIS  55           HN       HIS  55  16.151  -6.193  -3.386
  405    HA   HIS  55           HA       HIS  55  18.699  -5.056  -4.323
  406    HB2  HIS  55           HB2      HIS  55  17.429  -3.577  -2.812
  407    HB3  HIS  55           HB1      HIS  55  17.405  -4.844  -1.590
  408    HD1  HIS  55           HD1      HIS  55  19.726  -5.423  -0.457
  409    HD2  HIS  55           HD2      HIS  55  19.736  -2.059  -2.898
  410    HE1  HIS  55           HE1      HIS  55  21.839  -4.182   0.109
  411    HE2  HIS  55           HE2      HIS  55  21.905  -2.249  -1.506
  412    H    ALA  56           HN       ALA  56  19.833  -6.915  -4.700
  413    HA   ALA  56           HA       ALA  56  19.927  -9.120  -2.923
  414    HB1  ALA  56           HB1      ALA  56  21.800  -9.879  -4.274
  415    HB2  ALA  56           HB2      ALA  56  21.911  -8.295  -5.040
  416    HB3  ALA  56           HB3      ALA  56  20.489  -9.305  -5.302
  417    H    GLU  57           HN       GLU  57  21.615  -9.744  -1.522
  418    HA   GLU  57           HA       GLU  57  22.913  -7.495  -0.217
  419    HB2  GLU  57           HB2      GLU  57  21.671  -9.489   0.913
  420    HB3  GLU  57           HB1      GLU  57  23.152 -10.382   0.605
  421    HG2  GLU  57           HG2      GLU  57  23.010  -7.827   2.189
  422    HG3  GLU  57           HG1      GLU  57  22.970  -9.441   2.889
  423    H    HIS  58           HN       HIS  58  24.926  -6.922  -0.703
  424    HA   HIS  58           HA       HIS  58  26.867  -8.935  -1.470
  425    HB2  HIS  58           HB2      HIS  58  27.600  -7.630  -3.478
  426    HB3  HIS  58           HB1      HIS  58  26.026  -8.389  -3.646
  427    HD1  HIS  58           HD1      HIS  58  27.738  -5.166  -3.896
  428    HD2  HIS  58           HD2      HIS  58  23.824  -6.497  -3.478
  429    HE1  HIS  58           HE1      HIS  58  26.288  -3.216  -4.540
  430    HE2  HIS  58           HE2      HIS  58  23.931  -4.104  -4.445
  431    H    VAL  59           HN       VAL  59  27.205  -8.057   0.804
  432    HA   VAL  59           HA       VAL  59  28.847  -7.272   2.149
  433    HB   VAL  59           HB       VAL  59  29.990  -6.052  -0.362
  434   HG11  VAL  59          HG11      VAL  59  30.692  -4.736   1.561
  435   HG12  VAL  59          HG12      VAL  59  32.039  -5.698   0.953
  436   HG13  VAL  59          HG13      VAL  59  31.180  -6.203   2.407
  437   HG21  VAL  59          HG21      VAL  59  30.054  -8.458  -0.383
  438   HG22  VAL  59          HG22      VAL  59  30.712  -8.495   1.251
  439   HG23  VAL  59          HG23      VAL  59  31.680  -7.850  -0.074
  440    H    ARG  60           HN       ARG  60  27.968  -4.715  -0.179
  441    HA   ARG  60           HA       ARG  60  28.057  -2.766   1.995
  442    HB2  ARG  60           HB2      ARG  60  27.660  -2.376  -0.986
  443    HB3  ARG  60           HB1      ARG  60  27.813  -1.077   0.190
  444    HG2  ARG  60           HG2      ARG  60  30.087  -1.869   0.728
  445    HG3  ARG  60           HG1      ARG  60  29.925  -3.111  -0.510
  446    HD2  ARG  60           HD2      ARG  60  29.678  -1.393  -2.225
  447    HD3  ARG  60           HD1      ARG  60  29.776  -0.132  -0.993
  448    HE   ARG  60           HE       ARG  60  32.074  -1.595  -0.691
  449   HH11  ARG  60          HH11      ARG  60  30.584   0.154  -3.333
  450   HH12  ARG  60          HH12      ARG  60  32.094   0.583  -4.069
  451   HH21  ARG  60          HH21      ARG  60  34.072  -1.021  -1.667
  452   HH22  ARG  60          HH22      ARG  60  34.072  -0.084  -3.123
  453    H    GLY  61           HN       GLY  61  26.294  -1.671   2.755
  454    HA2  GLY  61           HA2      GLY  61  24.047  -0.901   2.669
  455    HA3  GLY  61           HA1      GLY  61  23.691  -2.160   1.492
  456    H    TYR  62           HN       TYR  62  21.834  -2.224   3.178
  457    HA   TYR  62           HA       TYR  62  22.522  -3.871   5.489
  458    HB2  TYR  62           HB2      TYR  62  19.825  -2.785   4.605
  459    HB3  TYR  62           HB1      TYR  62  20.134  -3.650   6.108
  460    HD1  TYR  62           HD2      TYR  62  21.972  -2.551   7.664
  461    HD2  TYR  62           HD1      TYR  62  19.840  -0.475   4.621
  462    HE1  TYR  62           HE2      TYR  62  22.464  -0.416   8.781
  463    HE2  TYR  62           HE1      TYR  62  20.328   1.662   5.735
  464    HH   TYR  62           HH       TYR  62  22.628   1.976   8.191
  465    H    ALA  63           HN       ALA  63  21.723  -5.962   5.796
  466    HA   ALA  63           HA       ALA  63  21.321  -7.447   3.346
  467    HB1  ALA  63           HB1      ALA  63  21.541  -8.400   6.196
  468    HB2  ALA  63           HB2      ALA  63  22.864  -8.288   5.036
  469    HB3  ALA  63           HB3      ALA  63  21.545  -9.424   4.762
  470    H    HIS  64           HN       HIS  64  19.187  -5.702   4.076
  471    HA   HIS  64           HA       HIS  64  17.044  -7.679   4.331
  472    HB2  HIS  64           HB2      HIS  64  17.173  -5.059   5.846
  473    HB3  HIS  64           HB1      HIS  64  15.739  -6.074   5.732
  474    HD1  HIS  64           HD1      HIS  64  15.699  -8.237   7.141
  475    HD2  HIS  64           HD2      HIS  64  19.169  -5.995   7.580
  476    HE1  HIS  64           HE1      HIS  64  16.869  -9.189   9.151
  477    HE2  HIS  64           HE2      HIS  64  19.044  -7.931   9.291
  478    HA   PRO  65           HA       PRO  65  16.071  -5.119   0.694
  479    HB2  PRO  65           HB2      PRO  65  14.571  -7.019  -0.527
  480    HB3  PRO  65           HB1      PRO  65  16.335  -6.991  -0.630
  481    HG2  PRO  65           HG2      PRO  65  14.565  -8.651   1.117
  482    HG3  PRO  65           HG1      PRO  65  16.026  -9.122   0.233
  483    HD2  PRO  65           HD2      PRO  65  16.013  -8.572   2.896
  484    HD3  PRO  65           HD1      PRO  65  17.427  -8.302   1.859
  485    H    LEU  66           HN       LEU  66  14.186  -4.030   0.192
  486    HA   LEU  66           HA       LEU  66  12.346  -3.702   2.286
  487    HB2  LEU  66           HB2      LEU  66  12.881  -1.887   0.801
  488    HB3  LEU  66           HB1      LEU  66  12.271  -2.778  -0.579
  489    HG   LEU  66           HG       LEU  66   9.990  -2.689   0.487
  490   HD11  LEU  66          HD11      LEU  66   9.601  -0.987   2.187
  491   HD12  LEU  66          HD12      LEU  66  11.335  -0.683   2.289
  492   HD13  LEU  66          HD13      LEU  66  10.683  -2.247   2.780
  493   HD21  LEU  66          HD21      LEU  66  11.310  -0.067  -0.195
  494   HD22  LEU  66          HD22      LEU  66   9.576  -0.392  -0.215
  495   HD23  LEU  66          HD23      LEU  66  10.643  -1.225  -1.346
  496    H    ASN  67           HN       ASN  67  10.610  -4.791   2.807
  497    HA   ASN  67           HA       ASN  67   8.916  -5.933   0.711
  498    HB2  ASN  67           HB2      ASN  67  10.378  -7.777   1.632
  499    HB3  ASN  67           HB1      ASN  67   9.648  -7.489   3.211
  500   HD21  ASN  67          HD21      ASN  67   7.463  -8.019   3.527
  501   HD22  ASN  67          HD22      ASN  67   6.635  -9.110   2.472
  502    H    LEU  68           HN       LEU  68   7.497  -4.261   1.088
  503    HA   LEU  68           HA       LEU  68   6.494  -3.902   3.827
  504    HB2  LEU  68           HB2      LEU  68   7.362  -1.880   2.841
  505    HB3  LEU  68           HB1      LEU  68   6.405  -2.119   1.392
  506    HG   LEU  68           HG       LEU  68   4.346  -1.798   2.776
  507   HD11  LEU  68          HD11      LEU  68   6.348  -1.005   4.878
  508   HD12  LEU  68          HD12      LEU  68   5.215  -2.355   4.953
  509   HD13  LEU  68          HD13      LEU  68   4.615  -0.699   4.956
  510   HD21  LEU  68          HD21      LEU  68   6.354   0.444   2.689
  511   HD22  LEU  68          HD22      LEU  68   4.629   0.649   2.984
  512   HD23  LEU  68          HD23      LEU  68   5.189   0.012   1.440
  513    H    ALA  69           HN       ALA  69   4.519  -4.514   4.354
  514    HA   ALA  69           HA       ALA  69   2.574  -5.000   2.187
  515    HB1  ALA  69           HB1      ALA  69   3.234  -7.017   3.454
  516    HB2  ALA  69           HB2      ALA  69   1.515  -6.646   3.599
  517    HB3  ALA  69           HB3      ALA  69   2.614  -6.261   4.923
  518    H    LEU  70           HN       LEU  70   1.284  -3.295   2.042
  519    HA   LEU  70           HA       LEU  70   0.531  -1.783   4.420
  520    HB2  LEU  70           HB2      LEU  70  -0.012  -1.336   1.479
  521    HB3  LEU  70           HB1      LEU  70  -0.563  -0.263   2.752
  522    HG   LEU  70           HG       LEU  70   2.351  -0.855   2.206
  523   HD11  LEU  70          HD11      LEU  70   2.426   1.325   1.132
  524   HD12  LEU  70          HD12      LEU  70   0.679   1.489   1.326
  525   HD13  LEU  70          HD13      LEU  70   1.336   0.232   0.279
  526   HD21  LEU  70          HD21      LEU  70   1.974  -0.100   4.456
  527   HD22  LEU  70          HD22      LEU  70   0.934   1.206   3.887
  528   HD23  LEU  70          HD23      LEU  70   2.659   1.232   3.523
  529    H    THR  71           HN       THR  71  -1.326  -2.139   5.483
  530    HA   THR  71           HA       THR  71  -3.601  -3.236   3.978
  531    HB   THR  71           HB       THR  71  -4.275  -4.422   6.112
  532    HG1  THR  71           HG1      THR  71  -1.911  -3.255   6.930
  533   HG21  THR  71          HG21      THR  71  -1.693  -5.288   4.803
  534   HG22  THR  71          HG22      THR  71  -3.327  -5.689   4.270
  535   HG23  THR  71          HG23      THR  71  -2.719  -6.317   5.802
  536    H    TRP  72           HN       TRP  72  -5.682  -2.537   4.745
  537    HA   TRP  72           HA       TRP  72  -5.533  -0.102   6.396
  538    HB2  TRP  72           HB2      TRP  72  -6.980  -0.520   3.781
  539    HB3  TRP  72           HB1      TRP  72  -7.383   0.799   4.884
  540    HD1  TRP  72           HD1      TRP  72  -5.618   2.786   5.110
  541    HE1  TRP  72           HE1      TRP  72  -3.650   3.536   3.630
  542    HE3  TRP  72           HE3      TRP  72  -5.135  -1.405   2.219
  543    HZ2  TRP  72           HZ2      TRP  72  -2.108   2.494   1.519
  544    HZ3  TRP  72           HZ3      TRP  72  -3.385  -1.442   0.490
  545    HH2  TRP  72           HH2      TRP  72  -1.906   0.470   0.154
  546    H    ASN  73           HN       ASN  73  -7.421   0.510   7.500
  547    HA   ASN  73           HA       ASN  73  -8.715  -1.595   8.829
  548    HB2  ASN  73           HB2      ASN  73  -9.214   1.376   8.723
  549    HB3  ASN  73           HB1      ASN  73 -10.209   0.301   9.702
  550   HD21  ASN  73          HD21      ASN  73  -8.277   2.483  10.408
  551   HD22  ASN  73          HD22      ASN  73  -7.189   1.738  11.532
  552    H    THR  74           HN       THR  74 -10.459  -2.718   8.394
  553    HA   THR  74           HA       THR  74 -11.626  -2.698   5.859
  554    HB   THR  74           HB       THR  74 -12.814  -3.957   8.330
  555    HG1  THR  74           HG1      THR  74 -10.969  -5.222   6.591
  556   HG21  THR  74          HG21      THR  74 -12.866  -4.816   5.433
  557   HG22  THR  74          HG22      THR  74 -14.198  -4.029   6.280
  558   HG23  THR  74          HG23      THR  74 -13.656  -5.630   6.782
  559    H    ASP  75           HN       ASP  75 -12.696  -1.222   8.872
  560    HA   ASP  75           HA       ASP  75 -15.317  -0.562   8.036
  561    HB2  ASP  75           HB2      ASP  75 -14.809  -0.406  10.375
  562    HB3  ASP  75           HB1      ASP  75 -13.482   0.713  10.073
  563    H    GLU  76           HN       GLU  76 -12.290   1.252   7.987
  564    HA   GLU  76           HA       GLU  76 -13.191   3.520   6.659
  565    HB2  GLU  76           HB2      GLU  76 -10.872   2.945   7.726
  566    HB3  GLU  76           HB1      GLU  76 -10.465   2.413   6.100
  567    HG2  GLU  76           HG2      GLU  76  -9.740   4.685   6.435
  568    HG3  GLU  76           HG1      GLU  76 -11.039   4.635   5.242
  569    H    ILE  77           HN       ILE  77 -12.003   0.446   5.339
  570    HA   ILE  77           HA       ILE  77 -12.138   1.069   2.617
  571    HB   ILE  77           HB       ILE  77 -12.763  -1.596   3.914
  572   HG12  ILE  77          HG12      ILE  77 -10.143  -0.495   2.854
  573   HG13  ILE  77          HG11      ILE  77 -10.539  -0.778   4.548
  574   HG21  ILE  77          HG21      ILE  77 -12.139  -2.568   1.744
  575   HG22  ILE  77          HG22      ILE  77 -11.955  -0.948   1.077
  576   HG23  ILE  77          HG23      ILE  77 -13.540  -1.506   1.607
  577   HD11  ILE  77          HD11      ILE  77 -10.716  -3.183   4.085
  578   HD12  ILE  77          HD12      ILE  77  -9.121  -2.543   3.701
  579   HD13  ILE  77          HD13      ILE  77 -10.271  -2.881   2.407
  580    H    GLU  78           HN       GLU  78 -14.627  -0.214   4.783
  581    HA   GLU  78           HA       GLU  78 -16.710  -0.418   2.917
  582    HB2  GLU  78           HB2      GLU  78 -16.754  -1.439   5.162
  583    HB3  GLU  78           HB1      GLU  78 -16.842   0.159   5.887
  584    HG2  GLU  78           HG2      GLU  78 -19.010   0.520   4.816
  585    HG3  GLU  78           HG1      GLU  78 -18.923  -1.095   4.114
  586    H    ARG  79           HN       ARG  79 -15.641   2.242   4.960
  587    HA   ARG  79           HA       ARG  79 -17.714   4.033   4.413
  588    HB2  ARG  79           HB2      ARG  79 -15.939   4.197   6.222
  589    HB3  ARG  79           HB1      ARG  79 -14.864   4.827   4.985
  590    HG2  ARG  79           HG2      ARG  79 -15.799   6.657   6.218
  591    HG3  ARG  79           HG1      ARG  79 -16.463   6.669   4.585
  592    HD2  ARG  79           HD2      ARG  79 -17.881   5.429   6.932
  593    HD3  ARG  79           HD1      ARG  79 -18.106   7.107   6.455
  594    HE   ARG  79           HE       ARG  79 -18.890   6.195   4.270
  595   HH11  ARG  79          HH11      ARG  79 -19.077   4.246   7.171
  596   HH12  ARG  79          HH12      ARG  79 -20.401   3.284   6.596
  597   HH21  ARG  79          HH21      ARG  79 -20.654   4.923   3.506
  598   HH22  ARG  79          HH22      ARG  79 -21.287   3.665   4.523
  599    H    LEU  80           HN       LEU  80 -14.931   3.144   2.516
  600    HA   LEU  80           HA       LEU  80 -14.854   5.425   0.844
  601    HB2  LEU  80           HB2      LEU  80 -13.948   2.596   0.331
  602    HB3  LEU  80           HB1      LEU  80 -13.624   3.939  -0.746
  603    HG   LEU  80           HG       LEU  80 -12.627   3.660   2.093
  604   HD11  LEU  80          HD11      LEU  80 -11.191   3.505  -0.555
  605   HD12  LEU  80          HD12      LEU  80 -11.512   2.159   0.539
  606   HD13  LEU  80          HD13      LEU  80 -10.429   3.458   1.033
  607   HD21  LEU  80          HD21      LEU  80 -11.279   5.666   1.577
  608   HD22  LEU  80          HD22      LEU  80 -13.010   5.999   1.581
  609   HD23  LEU  80          HD23      LEU  80 -12.147   5.836   0.051
  610    H    MET  81           HN       MET  81 -17.187   3.003   1.090
  611    HA   MET  81           HA       MET  81 -18.138   2.918  -1.563
  612    HB2  MET  81           HB2      MET  81 -19.484   2.493   1.096
  613    HB3  MET  81           HB1      MET  81 -20.370   2.368  -0.416
  614    HG2  MET  81           HG2      MET  81 -17.959   0.725   0.339
  615    HG3  MET  81           HG1      MET  81 -19.642   0.186   0.408
  616    HE1  MET  81           HE1      MET  81 -20.804   1.586  -2.271
  617    HE2  MET  81           HE2      MET  81 -21.192  -0.037  -1.708
  618    HE3  MET  81           HE3      MET  81 -20.657   0.213  -3.370
  619    H    GLU  82           HN       GLU  82 -18.077   5.491   0.621
  620    HA   GLU  82           HA       GLU  82 -20.421   6.836  -0.406
  621    HB2  GLU  82           HB2      GLU  82 -18.144   7.880   1.300
  622    HB3  GLU  82           HB1      GLU  82 -19.629   8.752   0.953
  623    HG2  GLU  82           HG2      GLU  82 -19.347   6.210   2.532
  624    HG3  GLU  82           HG1      GLU  82 -19.719   7.812   3.154
  625    H    ALA  83           HN       ALA  83 -20.363   8.773  -1.703
  626    HA   ALA  83           HA       ALA  83 -18.371   8.910  -3.710
  627    HB1  ALA  83           HB1      ALA  83 -19.419  11.024  -4.356
  628    HB2  ALA  83           HB2      ALA  83 -20.327  11.044  -2.845
  629    HB3  ALA  83           HB3      ALA  83 -20.636   9.788  -4.042
  630    H    ASP  84           HN       ASP  84 -18.778  10.414  -0.599
  631    HA   ASP  84           HA       ASP  84 -16.717  12.319  -0.683
  632    HB2  ASP  84           HB2      ASP  84 -17.621  10.673   1.702
  633    HB3  ASP  84           HB1      ASP  84 -16.733  12.191   1.768
  634    H    GLY  85           HN       GLY  85 -16.659   8.918  -0.681
  635    HA2  GLY  85           HA2      GLY  85 -14.142   8.551   0.640
  636    HA3  GLY  85           HA1      GLY  85 -15.044   7.336  -0.262
  637    H    ALA  86           HN       ALA  86 -15.215   8.324  -2.761
  638    HA   ALA  86           HA       ALA  86 -12.756   7.963  -3.941
  639    HB1  ALA  86           HB1      ALA  86 -13.729   8.920  -5.956
  640    HB2  ALA  86           HB2      ALA  86 -15.042   9.613  -5.003
  641    HB3  ALA  86           HB3      ALA  86 -14.883   7.862  -5.144
  642    H    ALA  87           HN       ALA  87 -14.313  11.015  -3.028
  643    HA   ALA  87           HA       ALA  87 -12.316  12.741  -3.972
  644    HB1  ALA  87           HB1      ALA  87 -14.151  13.145  -1.611
  645    HB2  ALA  87           HB2      ALA  87 -14.547  13.499  -3.294
  646    HB3  ALA  87           HB3      ALA  87 -13.274  14.406  -2.478
  647    H    ARG  88           HN       ARG  88 -12.648  11.003  -0.924
  648    HA   ARG  88           HA       ARG  88 -10.424  12.290   0.330
  649    HB2  ARG  88           HB2      ARG  88 -12.236  11.293   1.653
  650    HB3  ARG  88           HB1      ARG  88 -11.816   9.701   1.035
  651    HG2  ARG  88           HG2      ARG  88  -9.797   9.648   2.225
  652    HG3  ARG  88           HG1      ARG  88  -9.843  11.383   2.544
  653    HD2  ARG  88           HD2      ARG  88 -10.402  10.112   4.541
  654    HD3  ARG  88           HD1      ARG  88 -11.772  11.074   3.996
  655    HE   ARG  88           HE       ARG  88 -12.433   8.803   2.893
  656   HH11  ARG  88          HH11      ARG  88 -10.970   9.296   6.025
  657   HH12  ARG  88          HH12      ARG  88 -11.713   7.901   6.740
  658   HH21  ARG  88          HH21      ARG  88 -13.427   6.955   3.838
  659   HH22  ARG  88          HH22      ARG  88 -13.093   6.560   5.502
  660    H    PHE  89           HN       PHE  89 -10.881   9.415  -1.608
  661    HA   PHE  89           HA       PHE  89  -8.397   8.195  -1.046
  662    HB2  PHE  89           HB2      PHE  89 -10.337   7.018  -2.082
  663    HB3  PHE  89           HB1      PHE  89 -10.058   7.932  -3.563
  664    HD1  PHE  89           HD2      PHE  89  -8.258   5.666  -1.199
  665    HD2  PHE  89           HD1      PHE  89  -8.748   7.004  -5.212
  666    HE1  PHE  89           HE2      PHE  89  -6.672   3.954  -1.962
  667    HE2  PHE  89           HE1      PHE  89  -7.167   5.295  -5.977
  668    HZ   PHE  89           HZ       PHE  89  -6.128   3.751  -4.327
  669    H    GLU  90           HN       GLU  90  -9.431  10.542  -3.468
  670    HA   GLU  90           HA       GLU  90  -6.979  10.611  -4.901
  671    HB2  GLU  90           HB2      GLU  90  -9.138  12.710  -4.581
  672    HB3  GLU  90           HB1      GLU  90  -7.795  12.839  -5.709
  673    HG2  GLU  90           HG2      GLU  90  -9.988  10.778  -5.736
  674    HG3  GLU  90           HG1      GLU  90  -9.752  12.095  -6.880
  675    H    ARG  91           HN       ARG  91  -8.260  12.372  -2.159
  676    HA   ARG  91           HA       ARG  91  -6.124  14.160  -1.757
  677    HB2  ARG  91           HB2      ARG  91  -8.224  14.555  -0.686
  678    HB3  ARG  91           HB1      ARG  91  -8.208  12.975   0.074
  679    HG2  ARG  91           HG2      ARG  91  -7.760  14.645   1.718
  680    HG3  ARG  91           HG1      ARG  91  -6.303  13.692   1.453
  681    HD2  ARG  91           HD2      ARG  91  -5.397  15.456   0.033
  682    HD3  ARG  91           HD1      ARG  91  -6.865  16.409   0.273
  683    HE   ARG  91           HE       ARG  91  -5.792  15.734   2.780
  684   HH11  ARG  91          HH11      ARG  91  -5.091  17.788   0.033
  685   HH12  ARG  91          HH12      ARG  91  -4.207  18.947   0.970
  686   HH21  ARG  91          HH21      ARG  91  -4.645  17.245   4.013
  687   HH22  ARG  91          HH22      ARG  91  -3.967  18.648   3.247
  688    H    TYR  92           HN       TYR  92  -6.635  10.817  -0.856
  689    HA   TYR  92           HA       TYR  92  -4.477  10.650   1.007
  690    HB2  TYR  92           HB2      TYR  92  -6.378   9.089   1.076
  691    HB3  TYR  92           HB1      TYR  92  -5.938   8.476  -0.512
  692    HD1  TYR  92           HD1      TYR  92  -4.711   8.760   2.987
  693    HD2  TYR  92           HD2      TYR  92  -4.422   6.696  -0.726
  694    HE1  TYR  92           HE1      TYR  92  -3.292   7.056   4.047
  695    HE2  TYR  92           HE2      TYR  92  -3.000   4.990   0.328
  696    HH   TYR  92           HH       TYR  92  -1.547   4.734   2.256
  697    H    LEU  93           HN       LEU  93  -4.886   9.932  -2.426
  698    HA   LEU  93           HA       LEU  93  -2.361   8.750  -2.838
  699    HB2  LEU  93           HB2      LEU  93  -4.108  10.262  -4.788
  700    HB3  LEU  93           HB1      LEU  93  -2.728   9.274  -5.234
  701    HG   LEU  93           HG       LEU  93  -5.290   8.288  -3.970
  702   HD11  LEU  93          HD11      LEU  93  -4.160   7.930  -6.741
  703   HD12  LEU  93          HD12      LEU  93  -5.558   8.911  -6.298
  704   HD13  LEU  93          HD13      LEU  93  -5.617   7.158  -6.116
  705   HD21  LEU  93          HD21      LEU  93  -4.346   6.034  -4.400
  706   HD22  LEU  93          HD22      LEU  93  -3.463   6.939  -3.174
  707   HD23  LEU  93          HD23      LEU  93  -2.806   6.792  -4.804
  708    H    ALA  94           HN       ALA  94  -3.462  12.077  -2.854
  709    HA   ALA  94           HA       ALA  94  -1.089  13.226  -3.863
  710    HB1  ALA  94           HB1      ALA  94  -3.159  14.469  -2.060
  711    HB2  ALA  94           HB2      ALA  94  -3.248  14.393  -3.819
  712    HB3  ALA  94           HB3      ALA  94  -1.973  15.331  -3.040
  713    H    ALA  95           HN       ALA  95  -1.946  11.993  -0.754
  714    HA   ALA  95           HA       ALA  95   0.137  13.517   0.608
  715    HB1  ALA  95           HB1      ALA  95  -2.050  13.326   1.671
  716    HB2  ALA  95           HB2      ALA  95  -0.792  12.576   2.655
  717    HB3  ALA  95           HB3      ALA  95  -1.885  11.570   1.703
  718    H    LEU  96           HN       LEU  96  -0.028  10.687  -1.087
  719    HA   LEU  96           HA       LEU  96   1.209   8.741   0.374
  720    HB2  LEU  96           HB2      LEU  96   1.585   9.416  -2.532
  721    HB3  LEU  96           HB1      LEU  96   2.270   7.984  -1.793
  722    HG   LEU  96           HG       LEU  96  -0.675   8.611  -1.891
  723   HD11  LEU  96          HD11      LEU  96   0.946   6.684  -3.545
  724   HD12  LEU  96          HD12      LEU  96   0.253   8.203  -4.117
  725   HD13  LEU  96          HD13      LEU  96  -0.806   6.889  -3.601
  726   HD21  LEU  96          HD21      LEU  96  -0.896   6.217  -1.266
  727   HD22  LEU  96          HD22      LEU  96  -0.161   7.207  -0.009
  728   HD23  LEU  96          HD23      LEU  96   0.847   6.163  -1.009
  729    HA   PRO  97           HA       PRO  97   5.663  10.487  -0.886
  730    HB2  PRO  97           HB2      PRO  97   5.577  13.285  -0.765
  731    HB3  PRO  97           HB1      PRO  97   5.747  12.313  -2.227
  732    HG2  PRO  97           HG2      PRO  97   3.301  13.554  -1.046
  733    HG3  PRO  97           HG1      PRO  97   3.761  13.378  -2.750
  734    HD2  PRO  97           HD2      PRO  97   1.919  11.790  -1.667
  735    HD3  PRO  97           HD1      PRO  97   3.108  11.141  -2.819
  736    H    ARG  98           HN       ARG  98   3.460  12.381   1.128
  737    HA   ARG  98           HA       ARG  98   5.470  12.995   3.072
  738    HB2  ARG  98           HB2      ARG  98   2.467  13.277   3.249
  739    HB3  ARG  98           HB1      ARG  98   3.620  13.958   4.389
  740    HG2  ARG  98           HG2      ARG  98   4.620  15.229   2.474
  741    HG3  ARG  98           HG1      ARG  98   3.263  14.676   1.492
  742    HD2  ARG  98           HD2      ARG  98   3.090  16.329   4.007
  743    HD3  ARG  98           HD1      ARG  98   2.865  16.916   2.362
  744    HE   ARG  98           HE       ARG  98   1.005  15.301   3.926
  745   HH11  ARG  98          HH11      ARG  98   1.796  16.735   0.828
  746   HH12  ARG  98          HH12      ARG  98   0.149  16.784   0.284
  747   HH21  ARG  98          HH21      ARG  98  -1.164  15.358   3.204
  748   HH22  ARG  98          HH22      ARG  98  -1.529  15.987   1.626
  749    H    LYS  99           HN       LYS  99   2.923  10.579   2.818
  750    HA   LYS  99           HA       LYS  99   3.287   9.618   5.493
  751    HB2  LYS  99           HB2      LYS  99   1.752   8.669   3.110
  752    HB3  LYS  99           HB1      LYS  99   1.987   7.590   4.475
  753    HG2  LYS  99           HG2      LYS  99   0.939   9.206   5.958
  754    HG3  LYS  99           HG1      LYS  99   0.748  10.327   4.612
  755    HD2  LYS  99           HD2      LYS  99  -0.797   8.869   3.523
  756    HD3  LYS  99           HD1      LYS  99  -0.463   7.570   4.672
  757    HE2  LYS  99           HE2      LYS  99  -2.602   8.721   5.121
  758    HE3  LYS  99           HE1      LYS  99  -1.467   8.834   6.463
  759    HZ1  LYS  99           HZ1      LYS  99  -0.953  11.071   5.868
  760    HZ2  LYS  99           HZ2      LYS  99  -2.641  10.937   5.942
  761    HZ3  LYS  99           HZ3      LYS  99  -1.856  10.971   4.444
  762    H    LEU 100           HN       LEU 100   4.471   8.693   2.312
  763    HA   LEU 100           HA       LEU 100   5.831   6.361   3.074
  764    HB2  LEU 100           HB2      LEU 100   6.021   8.272   0.809
  765    HB3  LEU 100           HB1      LEU 100   7.385   7.209   1.069
  766    HG   LEU 100           HG       LEU 100   5.758   6.384  -0.626
  767   HD11  LEU 100          HD11      LEU 100   5.701   4.093   0.166
  768   HD12  LEU 100          HD12      LEU 100   6.062   4.635   1.801
  769   HD13  LEU 100          HD13      LEU 100   7.253   4.849   0.520
  770   HD21  LEU 100          HD21      LEU 100   3.686   7.145   0.366
  771   HD22  LEU 100          HD22      LEU 100   3.933   6.083   1.751
  772   HD23  LEU 100          HD23      LEU 100   3.651   5.395   0.151
  773    H    ALA 101           HN       ALA 101   6.886   9.741   2.953
  774    HA   ALA 101           HA       ALA 101   9.546   9.305   3.766
  775    HB1  ALA 101           HB1      ALA 101   8.789  11.395   2.746
  776    HB2  ALA 101           HB2      ALA 101   9.583  11.688   4.293
  777    HB3  ALA 101           HB3      ALA 101   7.824  11.747   4.181
  778    H    ALA 102           HN       ALA 102   6.560   9.690   5.537
  779    HA   ALA 102           HA       ALA 102   7.702  10.057   8.108
  780    HB1  ALA 102           HB1      ALA 102   5.395  10.690   7.619
  781    HB2  ALA 102           HB2      ALA 102   5.465   9.553   8.966
  782    HB3  ALA 102           HB3      ALA 102   4.975   8.996   7.364
  783    H    TRP 103           HN       TRP 103   6.515   7.206   6.363
  784    HA   TRP 103           HA       TRP 103   6.977   5.369   8.453
  785    HB2  TRP 103           HB2      TRP 103   6.743   4.988   5.463
  786    HB3  TRP 103           HB1      TRP 103   6.947   3.640   6.583
  787    HD1  TRP 103           HD1      TRP 103   4.944   4.702   8.867
  788    HE1  TRP 103           HE1      TRP 103   2.412   4.614   8.436
  789    HE3  TRP 103           HE3      TRP 103   5.006   4.467   3.768
  790    HZ2  TRP 103           HZ2      TRP 103   0.672   4.472   6.217
  791    HZ3  TRP 103           HZ3      TRP 103   2.865   4.353   2.566
  792    HH2  TRP 103           HH2      TRP 103   0.742   4.354   3.768
  793    H    GLU 104           HN       GLU 104   9.056   6.651   5.928
  794    HA   GLU 104           HA       GLU 104  11.221   4.897   6.204
  795    HB2  GLU 104           HB2      GLU 104  11.294   7.865   5.639
  796    HB3  GLU 104           HB1      GLU 104  12.632   6.759   5.399
  797    HG2  GLU 104           HG2      GLU 104  11.209   5.527   3.758
  798    HG3  GLU 104           HG1      GLU 104  10.027   6.832   3.906
  799    H    ASN 105           HN       ASN 105  10.540   7.944   7.851
  800    HA   ASN 105           HA       ASN 105  12.849   7.910   9.484
  801    HB2  ASN 105           HB2      ASN 105  11.552   9.953   8.916
  802    HB3  ASN 105           HB1      ASN 105  10.238   9.373   9.932
  803   HD21  ASN 105          HD21      ASN 105  13.692   9.132  10.636
  804   HD22  ASN 105          HD22      ASN 105  13.649  10.164  12.025
  805    H    ALA 106           HN       ALA 106   9.545   6.794   9.996
  806    HA   ALA 106           HA       ALA 106   9.989   6.387  12.822
  807    HB1  ALA 106           HB1      ALA 106   7.668   5.676  12.895
  808    HB2  ALA 106           HB2      ALA 106   7.601   5.664  11.134
  809    HB3  ALA 106           HB3      ALA 106   7.826   7.185  11.997
  810    H    ARG 107           HN       ARG 107   9.459   4.293   9.995
  811    HA   ARG 107           HA       ARG 107   9.656   1.967  11.742
  812    HB2  ARG 107           HB2      ARG 107   8.939   2.155   8.819
  813    HB3  ARG 107           HB1      ARG 107   8.961   0.663   9.745
  814    HG2  ARG 107           HG2      ARG 107   7.152   3.035  10.173
  815    HG3  ARG 107           HG1      ARG 107   6.700   1.452   9.544
  816    HD2  ARG 107           HD2      ARG 107   7.621   2.108  12.347
  817    HD3  ARG 107           HD1      ARG 107   6.015   1.587  11.848
  818    HE   ARG 107           HE       ARG 107   7.963  -0.346  11.122
  819   HH11  ARG 107          HH11      ARG 107   6.220   0.903  13.890
  820   HH12  ARG 107          HH12      ARG 107   6.329  -0.577  14.788
  821   HH21  ARG 107          HH21      ARG 107   8.126  -2.289  12.309
  822   HH22  ARG 107          HH22      ARG 107   7.432  -2.388  13.897
  823    H    GLY 108           HN       GLY 108  11.868   3.773  10.176
  824    HA2  GLY 108           HA2      GLY 108  14.133   3.377   9.903
  825    HA3  GLY 108           HA1      GLY 108  13.863   1.748  10.510
  826    H    VAL 109           HN       VAL 109  12.805   3.574   7.655
  827    HA   VAL 109           HA       VAL 109  13.801   1.371   5.978
  828    HB   VAL 109           HB       VAL 109  11.125   2.749   5.617
  829   HG11  VAL 109          HG11      VAL 109  12.420   0.563   3.998
  830   HG12  VAL 109          HG12      VAL 109  12.128   2.220   3.475
  831   HG13  VAL 109          HG13      VAL 109  10.769   1.143   3.793
  832   HG21  VAL 109          HG21      VAL 109  11.756  -0.092   6.400
  833   HG22  VAL 109          HG22      VAL 109  10.148   0.543   6.054
  834   HG23  VAL 109          HG23      VAL 109  11.053   1.146   7.442
  835    H    ASP 110           HN       ASP 110  14.538   2.020   3.901
  836    HA   ASP 110           HA       ASP 110  14.479   4.909   3.373
  837    HB2  ASP 110           HB2      ASP 110  16.683   4.244   4.416
  838    HB3  ASP 110           HB1      ASP 110  16.971   3.235   2.993
  839    H    PHE 111           HN       PHE 111  13.213   4.940   1.627
  840    HA   PHE 111           HA       PHE 111  13.137   2.802  -0.263
  841    HB2  PHE 111           HB2      PHE 111  11.860   5.522  -0.159
  842    HB3  PHE 111           HB1      PHE 111  11.671   4.467  -1.555
  843    HD1  PHE 111           HD2      PHE 111  11.157   4.621   2.114
  844    HD2  PHE 111           HD1      PHE 111  10.053   2.785  -1.557
  845    HE1  PHE 111           HE2      PHE 111   9.327   3.449   3.260
  846    HE2  PHE 111           HE1      PHE 111   8.221   1.608  -0.421
  847    HZ   PHE 111           HZ       PHE 111   7.854   1.936   1.993
  848    H    GLY 112           HN       GLY 112  15.087   5.604   0.031
  849    HA2  GLY 112           HA2      GLY 112  15.682   6.018  -2.712
  850    HA3  GLY 112           HA1      GLY 112  16.677   6.524  -1.353
  851    H    SER 113           HN       SER 113  17.400   4.243  -0.162
  852    HA   SER 113           HA       SER 113  19.185   3.047  -2.110
  853    HB2  SER 113           HB2      SER 113  19.911   3.744   0.207
  854    HB3  SER 113           HB1      SER 113  18.934   2.421   0.842
  855    HG   SER 113           HG       SER 113  20.879   1.520   0.633
  856    H    ARG 114           HN       ARG 114  16.107   2.480  -1.043
  857    HA   ARG 114           HA       ARG 114  14.599   0.818  -1.336
  858    HB2  ARG 114           HB2      ARG 114  16.776  -0.377  -3.059
  859    HB3  ARG 114           HB1      ARG 114  15.118  -0.968  -2.979
  860    HG2  ARG 114           HG2      ARG 114  14.281   1.085  -3.895
  861    HG3  ARG 114           HG1      ARG 114  15.886   1.814  -3.830
  862    HD2  ARG 114           HD2      ARG 114  15.086  -0.565  -5.501
  863    HD3  ARG 114           HD1      ARG 114  15.327   1.079  -6.091
  864    HE   ARG 114           HE       ARG 114  17.694   0.551  -4.948
  865   HH11  ARG 114          HH11      ARG 114  15.733  -1.218  -7.244
  866   HH12  ARG 114          HH12      ARG 114  17.083  -2.029  -7.969
  867   HH21  ARG 114          HH21      ARG 114  19.479  -0.502  -5.895
  868   HH22  ARG 114          HH22      ARG 114  19.228  -1.602  -7.214
  869    H    THR 115           HN       THR 115  16.044   0.793   0.974
  870    HA   THR 115           HA       THR 115  16.301  -2.079   1.551
  871    HB   THR 115           HB       THR 115  18.176  -1.406   3.150
  872    HG1  THR 115           HG1      THR 115  17.562   0.973   2.464
  873   HG21  THR 115          HG21      THR 115  18.671  -1.169   0.180
  874   HG22  THR 115          HG22      THR 115  18.603  -2.672   1.102
  875   HG23  THR 115          HG23      THR 115  19.896  -1.510   1.402
  876    H    GLN 116           HN       GLN 116  16.127  -2.575   3.871
  877    HA   GLN 116           HA       GLN 116  14.815  -0.482   5.447
  878    HB2  GLN 116           HB2      GLN 116  13.081  -2.004   6.183
  879    HB3  GLN 116           HB1      GLN 116  13.070  -1.944   4.427
  880    HG2  GLN 116           HG2      GLN 116  14.400  -4.056   4.425
  881    HG3  GLN 116           HG1      GLN 116  14.164  -4.136   6.170
  882   HE21  GLN 116          HE21      GLN 116  12.974  -6.015   6.127
  883   HE22  GLN 116          HE22      GLN 116  11.388  -6.113   5.451
  884    H    ALA 117           HN       ALA 117  15.146  -0.651   7.687
  885    HA   ALA 117           HA       ALA 117  17.371  -2.406   8.425
  886    HB1  ALA 117           HB1      ALA 117  17.607  -0.975  10.387
  887    HB2  ALA 117           HB2      ALA 117  16.162  -0.081   9.920
  888    HB3  ALA 117           HB3      ALA 117  17.603  -0.015   8.907
  889    H    ASP 118           HN       ASP 118  14.605  -3.320   8.068
  890    HA   ASP 118           HA       ASP 118  14.164  -4.417  10.763
  891    HB2  ASP 118           HB2      ASP 118  12.437  -2.666   9.908
  892    HB3  ASP 118           HB1      ASP 118  11.912  -3.946   8.817
  893    H    ALA 119           HN       ALA 119  13.115  -6.526  10.752
  894    HA   ALA 119           HA       ALA 119  14.137  -8.265   8.728
  895    HB1  ALA 119           HB1      ALA 119  12.153  -8.862  10.927
  896    HB2  ALA 119           HB2      ALA 119  13.906  -8.950  11.090
  897    HB3  ALA 119           HB3      ALA 119  13.069 -10.045   9.991
  898    H    LEU 120           HN       LEU 120  11.066  -6.729   9.408
  899    HA   LEU 120           HA       LEU 120  10.030  -7.267   6.824
  900    HB2  LEU 120           HB2      LEU 120   9.693  -9.492   7.874
  901    HB3  LEU 120           HB1      LEU 120   8.757  -8.733   9.140
  902    HG   LEU 120           HG       LEU 120   7.092  -8.029   7.442
  903   HD11  LEU 120          HD11      LEU 120   7.168  -9.112   5.234
  904   HD12  LEU 120          HD12      LEU 120   8.792  -9.695   5.603
  905   HD13  LEU 120          HD13      LEU 120   8.482  -7.964   5.482
  906   HD21  LEU 120          HD21      LEU 120   6.148 -10.266   7.090
  907   HD22  LEU 120          HD22      LEU 120   6.729 -10.036   8.737
  908   HD23  LEU 120          HD23      LEU 120   7.682 -10.977   7.592
  909    H    VAL 121           HN       VAL 121   8.699  -5.560   6.384
  910    HA   VAL 121           HA       VAL 121   7.688  -4.112   8.728
  911    HB   VAL 121           HB       VAL 121   9.308  -2.760   7.607
  912   HG11  VAL 121          HG11      VAL 121   9.288  -3.820   5.419
  913   HG12  VAL 121          HG12      VAL 121   9.127  -2.068   5.283
  914   HG13  VAL 121          HG13      VAL 121   7.714  -3.100   5.079
  915   HG21  VAL 121          HG21      VAL 121   7.401  -1.569   8.495
  916   HG22  VAL 121          HG22      VAL 121   6.525  -1.787   6.979
  917   HG23  VAL 121          HG23      VAL 121   7.974  -0.781   7.025
  918    H    LEU 122           HN       LEU 122   5.772  -5.023   8.967
  919    HA   LEU 122           HA       LEU 122   3.822  -4.845   6.778
  920    HB2  LEU 122           HB2      LEU 122   3.483  -6.183   9.464
  921    HB3  LEU 122           HB1      LEU 122   2.462  -6.368   8.052
  922    HG   LEU 122           HG       LEU 122   5.298  -7.377   8.331
  923   HD11  LEU 122          HD11      LEU 122   2.660  -8.831   8.255
  924   HD12  LEU 122          HD12      LEU 122   3.727  -8.665   9.649
  925   HD13  LEU 122          HD13      LEU 122   4.250  -9.591   8.244
  926   HD21  LEU 122          HD21      LEU 122   3.348  -7.718   6.060
  927   HD22  LEU 122          HD22      LEU 122   4.943  -8.457   6.185
  928   HD23  LEU 122          HD23      LEU 122   4.793  -6.707   6.033
  929    H    LEU 123           HN       LEU 123   1.999  -3.515   7.000
  930    HA   LEU 123           HA       LEU 123   2.012  -1.827   9.404
  931    HB2  LEU 123           HB2      LEU 123   1.622  -0.824   6.582
  932    HB3  LEU 123           HB1      LEU 123   1.531   0.145   8.039
  933    HG   LEU 123           HG       LEU 123   3.997  -1.161   6.898
  934   HD11  LEU 123          HD11      LEU 123   3.252   0.851   5.722
  935   HD12  LEU 123          HD12      LEU 123   4.766   1.119   6.586
  936   HD13  LEU 123          HD13      LEU 123   3.252   1.736   7.248
  937   HD21  LEU 123          HD21      LEU 123   3.695   0.490   9.403
  938   HD22  LEU 123          HD22      LEU 123   5.219  -0.048   8.697
  939   HD23  LEU 123          HD23      LEU 123   4.079  -1.231   9.334
  940    H    GLY 124           HN       GLY 124   0.188  -2.329  10.387
  941    HA2  GLY 124           HA2      GLY 124  -2.231  -2.709   8.745
  942    HA3  GLY 124           HA1      GLY 124  -1.956  -3.479  10.299
  943    H    GLY 125           HN       GLY 125  -4.275  -2.053   9.724
  944    HA2  GLY 125           HA2      GLY 125  -5.644  -0.612  10.879
  945    HA3  GLY 125           HA1      GLY 125  -4.298  -0.290  11.965
  946    H    LEU 126           HN       LEU 126  -3.998   0.216   8.525
  947    HA   LEU 126           HA       LEU 126  -3.444   2.996   8.954
  948    HB2  LEU 126           HB2      LEU 126  -3.422   1.188   6.581
  949    HB3  LEU 126           HB1      LEU 126  -3.479   2.922   6.317
  950    HG   LEU 126           HG       LEU 126  -1.384   3.165   7.612
  951   HD11  LEU 126          HD11      LEU 126  -1.294   0.154   7.563
  952   HD12  LEU 126          HD12      LEU 126  -1.656   1.127   8.989
  953   HD13  LEU 126          HD13      LEU 126  -0.076   1.250   8.220
  954   HD21  LEU 126          HD21      LEU 126  -1.259   1.239   5.295
  955   HD22  LEU 126          HD22      LEU 126   0.079   2.218   5.897
  956   HD23  LEU 126          HD23      LEU 126  -1.333   2.998   5.189
  957    H    ASP 127           HN       ASP 127  -4.544   4.754   8.181
  958    HA   ASP 127           HA       ASP 127  -7.352   4.309   7.394
  959    HB2  ASP 127           HB2      ASP 127  -6.283   6.574   9.116
  960    HB3  ASP 127           HB1      ASP 127  -7.952   6.384   8.588
  961    H    PHE 128           HN       PHE 128  -8.219   6.429   6.341
  962    HA   PHE 128           HA       PHE 128  -6.198   7.208   4.358
  963    HB2  PHE 128           HB2      PHE 128  -9.206   7.029   4.169
  964    HB3  PHE 128           HB1      PHE 128  -8.212   7.792   2.933
  965    HD1  PHE 128           HD2      PHE 128  -9.171   4.626   4.491
  966    HD2  PHE 128           HD1      PHE 128  -6.797   6.472   1.482
  967    HE1  PHE 128           HE2      PHE 128  -8.805   2.436   3.447
  968    HE2  PHE 128           HE1      PHE 128  -6.431   4.281   0.425
  969    HZ   PHE 128           HZ       PHE 128  -7.435   2.256   1.409
  970    H    GLU 129           HN       GLU 129  -6.284   8.528   6.837
  971    HA   GLU 129           HA       GLU 129  -7.618  11.059   6.371
  972    HB2  GLU 129           HB2      GLU 129  -7.528  10.131   8.656
  973    HB3  GLU 129           HB1      GLU 129  -5.771  10.217   8.616
  974    HG2  GLU 129           HG2      GLU 129  -6.791  12.065   9.871
  975    HG3  GLU 129           HG1      GLU 129  -5.837  12.615   8.496
  976    H    ALA 130           HN       ALA 130  -6.727  12.735   5.423
  977    HA   ALA 130           HA       ALA 130  -3.857  13.126   5.397
  978    HB1  ALA 130           HB1      ALA 130  -3.812  13.351   2.918
  979    HB2  ALA 130           HB2      ALA 130  -5.445  12.683   2.873
  980    HB3  ALA 130           HB3      ALA 130  -4.110  11.704   3.476
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -14.820 -15.802   8.540
    2    H2   GLY   1           HT2      GLY   1 -14.269 -14.225   8.296
    3    H3   GLY   1           HT3      GLY   1 -15.331 -14.930   7.186
    4    HA2  GLY   1           HA1      GLY   1 -17.078 -15.004   8.831
    5    HA3  GLY   1           HA2      GLY   1 -15.974 -14.309  10.009
    6    H    ALA   2           HN       ALA   2 -15.862 -12.171  10.187
    7    HA   ALA   2           HA       ALA   2 -17.850 -10.582   8.995
    8    HB1  ALA   2           HB1      ALA   2 -16.909 -10.150  11.222
    9    HB2  ALA   2           HB2      ALA   2 -16.842  -8.724  10.186
   10    HB3  ALA   2           HB3      ALA   2 -15.385  -9.675  10.474
   11    H    MET   3           HN       MET   3 -14.397 -10.911   8.315
   12    HA   MET   3           HA       MET   3 -14.553  -8.845   6.271
   13    HB2  MET   3           HB2      MET   3 -12.143  -9.136   6.033
   14    HB3  MET   3           HB1      MET   3 -12.567  -8.940   7.727
   15    HG2  MET   3           HG2      MET   3 -12.418 -11.399   7.998
   16    HG3  MET   3           HG1      MET   3 -11.876 -11.514   6.326
   17    HE1  MET   3           HE1      MET   3  -8.467  -9.577   6.454
   18    HE2  MET   3           HE2      MET   3 -10.048  -8.900   6.070
   19    HE3  MET   3           HE3      MET   3  -9.589 -10.479   5.437
   20    H    GLY   4           HN       GLY   4 -15.780 -11.694   6.204
   21    HA2  GLY   4           HA2      GLY   4 -14.840 -12.281   3.465
   22    HA3  GLY   4           HA1      GLY   4 -15.207 -13.559   4.615
   23    H    MET   5           HN       MET   5 -17.246 -10.887   4.922
   24    HA   MET   5           HA       MET   5 -19.314 -12.263   3.340
   25    HB2  MET   5           HB2      MET   5 -20.977 -11.480   4.937
   26    HB3  MET   5           HB1      MET   5 -19.738 -12.416   5.757
   27    HG2  MET   5           HG2      MET   5 -18.669 -10.299   6.465
   28    HG3  MET   5           HG1      MET   5 -20.013  -9.418   5.736
   29    HE1  MET   5           HE1      MET   5 -20.599  -8.176   7.995
   30    HE2  MET   5           HE2      MET   5 -19.205  -8.958   8.739
   31    HE3  MET   5           HE3      MET   5 -20.774  -9.001   9.543
   32    H    SER   6           HN       SER   6 -17.419 -10.157   2.573
   33    HA   SER   6           HA       SER   6 -19.398  -8.291   1.502
   34    HB2  SER   6           HB2      SER   6 -16.748  -7.426   2.690
   35    HB3  SER   6           HB1      SER   6 -17.947  -6.372   1.939
   36    HG   SER   6           HG       SER   6 -19.419  -7.120   3.610
   37    HA   PRO   7           HA       PRO   7 -16.252 -10.108  -1.514
   38    HB2  PRO   7           HB2      PRO   7 -18.606 -10.852  -3.092
   39    HB3  PRO   7           HB1      PRO   7 -17.258 -11.853  -2.560
   40    HG2  PRO   7           HG2      PRO   7 -19.727 -12.109  -1.519
   41    HG3  PRO   7           HG1      PRO   7 -18.260 -12.380  -0.558
   42    HD2  PRO   7           HD2      PRO   7 -20.064  -9.985  -0.641
   43    HD3  PRO   7           HD1      PRO   7 -19.291 -10.762   0.758
   44    H    ASP   8           HN       ASP   8 -19.267  -8.365  -2.088
   45    HA   ASP   8           HA       ASP   8 -18.617  -7.253  -4.585
   46    HB2  ASP   8           HB2      ASP   8 -20.893  -7.212  -3.849
   47    HB3  ASP   8           HB1      ASP   8 -20.470  -6.356  -2.374
   48    H    THR   9           HN       THR   9 -18.352  -5.884  -1.330
   49    HA   THR   9           HA       THR   9 -17.154  -3.457  -2.004
   50    HB   THR   9           HB       THR   9 -16.744  -5.058   0.527
   51    HG1  THR   9           HG1      THR   9 -18.550  -3.171   0.895
   52   HG21  THR   9          HG21      THR   9 -16.370  -2.888   1.580
   53   HG22  THR   9          HG22      THR   9 -16.580  -2.085   0.023
   54   HG23  THR   9          HG23      THR   9 -15.206  -3.160   0.284
   55    H    ALA  10           HN       ALA  10 -15.709  -6.556  -1.117
   56    HA   ALA  10           HA       ALA  10 -13.032  -5.649  -1.092
   57    HB1  ALA  10           HB1      ALA  10 -12.415  -7.969  -0.956
   58    HB2  ALA  10           HB2      ALA  10 -14.014  -8.466  -1.509
   59    HB3  ALA  10           HB3      ALA  10 -13.827  -7.686   0.061
   60    H    ARG  11           HN       ARG  11 -15.067  -7.077  -3.571
   61    HA   ARG  11           HA       ARG  11 -13.054  -7.561  -5.485
   62    HB2  ARG  11           HB2      ARG  11 -15.290  -8.586  -5.585
   63    HB3  ARG  11           HB1      ARG  11 -15.998  -7.011  -5.907
   64    HG2  ARG  11           HG2      ARG  11 -14.584  -6.921  -7.986
   65    HG3  ARG  11           HG1      ARG  11 -14.172  -8.610  -7.681
   66    HD2  ARG  11           HD2      ARG  11 -16.917  -7.468  -8.170
   67    HD3  ARG  11           HD1      ARG  11 -15.998  -8.515  -9.247
   68    HE   ARG  11           HE       ARG  11 -16.187 -10.081  -7.124
   69   HH11  ARG  11          HH11      ARG  11 -18.630  -8.082  -8.650
   70   HH12  ARG  11          HH12      ARG  11 -19.947  -9.103  -8.169
   71   HH21  ARG  11          HH21      ARG  11 -17.937 -11.432  -6.496
   72   HH22  ARG  11          HH22      ARG  11 -19.557 -10.991  -6.937
   73    H    ARG  12           HN       ARG  12 -15.236  -4.823  -4.966
   74    HA   ARG  12           HA       ARG  12 -14.442  -3.394  -7.270
   75    HB2  ARG  12           HB2      ARG  12 -16.577  -3.078  -5.987
   76    HB3  ARG  12           HB1      ARG  12 -15.645  -2.259  -4.745
   77    HG2  ARG  12           HG2      ARG  12 -15.058  -0.494  -6.241
   78    HG3  ARG  12           HG1      ARG  12 -15.755  -1.358  -7.613
   79    HD2  ARG  12           HD2      ARG  12 -17.971  -1.169  -6.636
   80    HD3  ARG  12           HD1      ARG  12 -17.298  -0.380  -5.212
   81    HE   ARG  12           HE       ARG  12 -16.496   1.259  -7.168
   82   HH11  ARG  12          HH11      ARG  12 -19.622  -0.197  -6.550
   83   HH12  ARG  12          HH12      ARG  12 -20.515   1.166  -7.144
   84   HH21  ARG  12          HH21      ARG  12 -17.670   3.045  -7.966
   85   HH22  ARG  12          HH22      ARG  12 -19.405   3.009  -7.951
   86    H    PHE  13           HN       PHE  13 -13.361  -3.333  -3.911
   87    HA   PHE  13           HA       PHE  13 -11.652  -1.100  -4.147
   88    HB2  PHE  13           HB2      PHE  13 -12.362  -2.062  -1.972
   89    HB3  PHE  13           HB1      PHE  13 -11.374  -3.478  -2.291
   90    HD1  PHE  13           HD1      PHE  13 -11.313   0.109  -1.489
   91    HD2  PHE  13           HD2      PHE  13  -8.997  -3.423  -2.016
   92    HE1  PHE  13           HE1      PHE  13  -9.379   1.219  -0.446
   93    HE2  PHE  13           HE2      PHE  13  -7.065  -2.322  -0.976
   94    HZ   PHE  13           HZ       PHE  13  -7.252   0.001  -0.188
   95    H    ASP  14           HN       ASP  14 -11.117  -4.564  -4.597
   96    HA   ASP  14           HA       ASP  14  -8.329  -4.415  -5.016
   97    HB2  ASP  14           HB2      ASP  14  -9.147  -6.535  -4.441
   98    HB3  ASP  14           HB1      ASP  14 -10.417  -6.476  -5.656
   99    H    THR  15           HN       THR  15 -11.040  -3.973  -7.154
  100    HA   THR  15           HA       THR  15  -9.294  -4.214  -9.476
  101    HB   THR  15           HB       THR  15 -11.513  -5.326  -9.538
  102    HG1  THR  15           HG1      THR  15 -11.396  -3.323 -11.549
  103   HG21  THR  15          HG21      THR  15 -12.584  -2.508  -9.717
  104   HG22  THR  15          HG22      THR  15 -12.863  -3.644  -8.398
  105   HG23  THR  15          HG23      THR  15 -13.511  -3.980 -10.002
  106    H    GLU  16           HN       GLU  16 -11.210  -1.702  -7.848
  107    HA   GLU  16           HA       GLU  16 -10.454   0.176  -9.957
  108    HB2  GLU  16           HB2      GLU  16 -12.836  -0.085  -9.053
  109    HB3  GLU  16           HB1      GLU  16 -12.261   0.782  -7.634
  110    HG2  GLU  16           HG2      GLU  16 -13.347   2.289  -9.193
  111    HG3  GLU  16           HG1      GLU  16 -11.632   2.674  -9.035
  112    H    PHE  17           HN       PHE  17 -10.058  -0.253  -6.460
  113    HA   PHE  17           HA       PHE  17  -8.769   2.355  -6.263
  114    HB2  PHE  17           HB2      PHE  17  -9.577   0.353  -4.150
  115    HB3  PHE  17           HB1      PHE  17  -8.763   1.870  -3.802
  116    HD1  PHE  17           HD2      PHE  17 -11.818   0.501  -5.434
  117    HD2  PHE  17           HD1      PHE  17 -10.024   3.792  -3.407
  118    HE1  PHE  17           HE2      PHE  17 -13.994   1.645  -5.361
  119    HE2  PHE  17           HE1      PHE  17 -12.198   4.937  -3.336
  120    HZ   PHE  17           HZ       PHE  17 -14.191   3.847  -4.236
  121    H    ALA  18           HN       ALA  18  -7.996  -1.021  -5.440
  122    HA   ALA  18           HA       ALA  18  -5.505  -0.554  -4.325
  123    HB1  ALA  18           HB1      ALA  18  -5.070  -2.901  -4.568
  124    HB2  ALA  18           HB2      ALA  18  -6.333  -3.045  -5.789
  125    HB3  ALA  18           HB3      ALA  18  -6.759  -2.654  -4.124
  126    HA   PRO  19           HA       PRO  19  -3.443  -1.472  -8.677
  127    HB2  PRO  19           HB2      PRO  19  -5.528  -0.270 -10.429
  128    HB3  PRO  19           HB1      PRO  19  -4.496  -1.683 -10.709
  129    HG2  PRO  19           HG2      PRO  19  -7.055  -2.008 -10.128
  130    HG3  PRO  19           HG1      PRO  19  -5.831  -3.073  -9.407
  131    HD2  PRO  19           HD2      PRO  19  -7.247  -0.725  -8.189
  132    HD3  PRO  19           HD1      PRO  19  -6.903  -2.318  -7.484
  133    H    ARG  20           HN       ARG  20  -5.495   1.261  -7.946
  134    HA   ARG  20           HA       ARG  20  -3.942   3.208  -9.342
  135    HB2  ARG  20           HB2      ARG  20  -6.317   3.568  -8.789
  136    HB3  ARG  20           HB1      ARG  20  -5.917   3.561  -7.077
  137    HG2  ARG  20           HG2      ARG  20  -6.213   5.824  -7.821
  138    HG3  ARG  20           HG1      ARG  20  -4.512   5.560  -7.431
  139    HD2  ARG  20           HD2      ARG  20  -4.762   6.839  -9.501
  140    HD3  ARG  20           HD1      ARG  20  -4.003   5.277  -9.802
  141    HE   ARG  20           HE       ARG  20  -6.792   5.068 -10.163
  142   HH11  ARG  20          HH11      ARG  20  -3.954   6.450 -11.689
  143   HH12  ARG  20          HH12      ARG  20  -4.616   6.349 -13.291
  144   HH21  ARG  20          HH21      ARG  20  -7.657   4.925 -12.275
  145   HH22  ARG  20          HH22      ARG  20  -6.714   5.484 -13.623
  146    H    ILE  21           HN       ILE  21  -4.069   1.980  -6.051
  147    HA   ILE  21           HA       ILE  21  -2.221   3.814  -4.932
  148    HB   ILE  21           HB       ILE  21  -2.806   0.988  -4.026
  149   HG12  ILE  21          HG12      ILE  21  -4.089   3.585  -3.139
  150   HG13  ILE  21          HG11      ILE  21  -4.845   2.403  -4.202
  151   HG21  ILE  21          HG21      ILE  21  -2.004   1.708  -1.853
  152   HG22  ILE  21          HG22      ILE  21  -1.721   3.335  -2.468
  153   HG23  ILE  21          HG23      ILE  21  -0.760   1.985  -3.071
  154   HD11  ILE  21          HD11      ILE  21  -4.066   1.990  -1.321
  155   HD12  ILE  21          HD12      ILE  21  -4.728   0.743  -2.378
  156   HD13  ILE  21          HD13      ILE  21  -5.698   2.155  -1.967
  157    H    ALA  22           HN       ALA  22  -1.900   0.514  -6.173
  158    HA   ALA  22           HA       ALA  22   0.837   0.198  -5.675
  159    HB1  ALA  22           HB1      ALA  22  -0.837  -1.090  -7.827
  160    HB2  ALA  22           HB2      ALA  22  -0.683  -1.659  -6.165
  161    HB3  ALA  22           HB3      ALA  22   0.718  -1.671  -7.236
  162    H    ARG  23           HN       ARG  23  -0.872   1.475  -8.488
  163    HA   ARG  23           HA       ARG  23   1.433   1.654 -10.141
  164    HB2  ARG  23           HB2      ARG  23  -0.861   1.548 -11.044
  165    HB3  ARG  23           HB1      ARG  23  -1.198   3.129 -10.354
  166    HG2  ARG  23           HG2      ARG  23   0.494   4.129 -11.785
  167    HG3  ARG  23           HG1      ARG  23   0.869   2.544 -12.461
  168    HD2  ARG  23           HD2      ARG  23  -1.463   2.379 -13.267
  169    HD3  ARG  23           HD1      ARG  23  -1.757   4.012 -12.669
  170    HE   ARG  23           HE       ARG  23   0.440   4.198 -14.321
  171   HH11  ARG  23          HH11      ARG  23  -2.910   3.235 -14.643
  172   HH12  ARG  23          HH12      ARG  23  -3.006   3.679 -16.318
  173   HH21  ARG  23          HH21      ARG  23   0.320   4.778 -16.519
  174   HH22  ARG  23          HH22      ARG  23  -1.164   4.549 -17.387
  175    H    ALA  24           HN       ALA  24  -0.331   4.002  -8.153
  176    HA   ALA  24           HA       ALA  24   1.136   6.270  -8.887
  177    HB1  ALA  24           HB1      ALA  24  -1.002   6.378  -7.706
  178    HB2  ALA  24           HB2      ALA  24   0.247   7.292  -6.860
  179    HB3  ALA  24           HB3      ALA  24  -0.241   5.705  -6.265
  180    H    ILE  25           HN       ILE  25   1.611   3.952  -6.251
  181    HA   ILE  25           HA       ILE  25   3.837   5.280  -5.116
  182    HB   ILE  25           HB       ILE  25   2.985   2.385  -4.919
  183   HG12  ILE  25          HG12      ILE  25   2.605   4.737  -3.044
  184   HG13  ILE  25          HG11      ILE  25   1.352   3.991  -4.029
  185   HG21  ILE  25          HG21      ILE  25   5.048   3.903  -3.322
  186   HG22  ILE  25          HG22      ILE  25   5.336   2.537  -4.400
  187   HG23  ILE  25          HG23      ILE  25   4.425   2.307  -2.907
  188   HD11  ILE  25          HD11      ILE  25   2.857   2.665  -1.787
  189   HD12  ILE  25          HD12      ILE  25   1.596   1.917  -2.769
  190   HD13  ILE  25          HD13      ILE  25   1.204   3.276  -1.715
  191    H    ALA  26           HN       ALA  26   3.522   2.683  -7.495
  192    HA   ALA  26           HA       ALA  26   6.234   2.024  -7.725
  193    HB1  ALA  26           HB1      ALA  26   4.464   0.626  -8.641
  194    HB2  ALA  26           HB2      ALA  26   5.632   1.052  -9.892
  195    HB3  ALA  26           HB3      ALA  26   4.074   1.874  -9.824
  196    H    ASP  27           HN       ASP  27   4.270   4.397  -9.465
  197    HA   ASP  27           HA       ASP  27   6.348   5.228 -11.227
  198    HB2  ASP  27           HB2      ASP  27   3.924   5.517 -11.705
  199    HB3  ASP  27           HB1      ASP  27   3.835   6.712 -10.419
  200    H    LEU  28           HN       LEU  28   5.259   6.225  -8.071
  201    HA   LEU  28           HA       LEU  28   6.640   8.704  -7.969
  202    HB2  LEU  28           HB2      LEU  28   4.735   8.197  -6.517
  203    HB3  LEU  28           HB1      LEU  28   5.640   6.901  -5.763
  204    HG   LEU  28           HG       LEU  28   7.271   8.627  -4.937
  205   HD11  LEU  28          HD11      LEU  28   6.474  10.956  -4.862
  206   HD12  LEU  28          HD12      LEU  28   5.141  10.517  -5.929
  207   HD13  LEU  28          HD13      LEU  28   6.805  10.407  -6.503
  208   HD21  LEU  28          HD21      LEU  28   5.521   7.662  -3.516
  209   HD22  LEU  28          HD22      LEU  28   4.404   8.923  -4.042
  210   HD23  LEU  28          HD23      LEU  28   5.838   9.347  -3.107
  211    H    LEU  29           HN       LEU  29   7.447   5.393  -7.141
  212    HA   LEU  29           HA       LEU  29  10.025   6.209  -6.043
  213    HB2  LEU  29           HB2      LEU  29   8.848   3.442  -6.324
  214    HB3  LEU  29           HB1      LEU  29  10.272   3.878  -5.398
  215    HG   LEU  29           HG       LEU  29   7.445   4.737  -4.795
  216   HD11  LEU  29          HD11      LEU  29   7.823   2.379  -4.348
  217   HD12  LEU  29          HD12      LEU  29   7.659   3.285  -2.844
  218   HD13  LEU  29          HD13      LEU  29   9.254   2.778  -3.398
  219   HD21  LEU  29          HD21      LEU  29  10.031   5.278  -3.352
  220   HD22  LEU  29          HD22      LEU  29   8.432   5.557  -2.667
  221   HD23  LEU  29          HD23      LEU  29   8.951   6.461  -4.088
  222    H    ASN  30           HN       ASN  30   8.987   6.079  -8.986
  223    HA   ASN  30           HA       ASN  30   9.781   5.648 -11.059
  224    HB2  ASN  30           HB2      ASN  30  12.396   5.849  -9.564
  225    HB3  ASN  30           HB1      ASN  30  12.278   5.781 -11.318
  226   HD21  ASN  30          HD21      ASN  30  13.355   7.902  -9.692
  227   HD22  ASN  30          HD22      ASN  30  12.413   9.315 -10.023
  228    H    HIS  31           HN       HIS  31   9.061   3.388  -9.468
  229    HA   HIS  31           HA       HIS  31   9.001   1.138  -9.593
  230    HB2  HIS  31           HB2      HIS  31  10.556   1.553 -12.151
  231    HB3  HIS  31           HB1      HIS  31   9.794   0.041 -11.667
  232    HD1  HIS  31           HD1      HIS  31   7.135   0.038 -11.621
  233    HD2  HIS  31           HD2      HIS  31   8.893   3.388 -13.343
  234    HE1  HIS  31           HE1      HIS  31   5.306   1.176 -12.909
  235    HE2  HIS  31           HE2      HIS  31   6.418   3.133 -14.039
  236    H    ARG  32           HN       ARG  32  11.398   2.503  -8.303
  237    HA   ARG  32           HA       ARG  32  13.498   0.571  -8.495
  238    HB2  ARG  32           HB2      ARG  32  12.846   2.666  -6.423
  239    HB3  ARG  32           HB1      ARG  32  14.207   1.570  -6.246
  240    HG2  ARG  32           HG2      ARG  32  15.053   2.419  -8.447
  241    HG3  ARG  32           HG1      ARG  32  13.784   3.643  -8.380
  242    HD2  ARG  32           HD2      ARG  32  14.685   4.501  -6.301
  243    HD3  ARG  32           HD1      ARG  32  15.906   3.229  -6.281
  244    HE   ARG  32           HE       ARG  32  15.852   5.068  -8.553
  245   HH11  ARG  32          HH11      ARG  32  17.382   4.031  -5.586
  246   HH12  ARG  32          HH12      ARG  32  18.880   4.820  -5.932
  247   HH21  ARG  32          HH21      ARG  32  17.825   6.113  -9.018
  248   HH22  ARG  32          HH22      ARG  32  19.136   6.005  -7.888
  249    H    ALA  33           HN       ALA  33  10.537   0.830  -6.797
  250    HA   ALA  33           HA       ALA  33  11.047  -1.768  -5.528
  251    HB1  ALA  33           HB1      ALA  33   9.180   0.410  -4.594
  252    HB2  ALA  33           HB2      ALA  33  10.730  -0.002  -3.860
  253    HB3  ALA  33           HB3      ALA  33   9.400  -1.161  -3.824
  254    H    HIS  34           HN       HIS  34   9.448  -3.328  -5.747
  255    HA   HIS  34           HA       HIS  34   7.572  -2.791  -7.946
  256    HB2  HIS  34           HB2      HIS  34   9.302  -4.642  -8.179
  257    HB3  HIS  34           HB1      HIS  34   8.452  -5.492  -6.892
  258    HD1  HIS  34           HD1      HIS  34   8.249  -4.647 -10.505
  259    HD2  HIS  34           HD2      HIS  34   5.928  -6.559  -7.631
  260    HE1  HIS  34           HE1      HIS  34   6.451  -5.852 -11.782
  261    HE2  HIS  34           HE2      HIS  34   5.160  -7.128 -10.036
  262    H    THR  35           HN       THR  35   5.412  -3.094  -7.675
  263    HA   THR  35           HA       THR  35   4.561  -3.605  -4.910
  264    HB   THR  35           HB       THR  35   2.553  -2.235  -5.507
  265    HG1  THR  35           HG1      THR  35   3.067  -0.819  -7.450
  266   HG21  THR  35          HG21      THR  35   3.684  -0.100  -5.312
  267   HG22  THR  35          HG22      THR  35   5.190  -0.813  -5.889
  268   HG23  THR  35          HG23      THR  35   4.529  -1.298  -4.329
  269    H    ASP  36           HN       ASP  36   2.921  -5.018  -4.503
  270    HA   ASP  36           HA       ASP  36   1.718  -6.397  -6.803
  271    HB2  ASP  36           HB2      ASP  36   3.507  -7.840  -5.972
  272    HB3  ASP  36           HB1      ASP  36   2.878  -7.715  -4.333
  273    H    VAL  37           HN       VAL  37  -0.388  -6.187  -6.711
  274    HA   VAL  37           HA       VAL  37  -1.707  -5.516  -4.229
  275    HB   VAL  37           HB       VAL  37  -2.827  -5.901  -7.010
  276   HG11  VAL  37          HG11      VAL  37  -4.176  -4.901  -4.504
  277   HG12  VAL  37          HG12      VAL  37  -4.533  -6.401  -5.360
  278   HG13  VAL  37          HG13      VAL  37  -4.869  -4.846  -6.124
  279   HG21  VAL  37          HG21      VAL  37  -1.363  -3.955  -6.788
  280   HG22  VAL  37          HG22      VAL  37  -2.307  -3.395  -5.409
  281   HG23  VAL  37          HG23      VAL  37  -3.043  -3.467  -7.011
  282    H    VAL  38           HN       VAL  38  -2.024  -7.115  -2.849
  283    HA   VAL  38           HA       VAL  38  -2.801  -9.768  -3.706
  284    HB   VAL  38           HB       VAL  38  -2.746  -8.623  -0.904
  285   HG11  VAL  38          HG11      VAL  38  -4.102 -10.620  -1.083
  286   HG12  VAL  38          HG12      VAL  38  -2.612 -10.969  -0.207
  287   HG13  VAL  38          HG13      VAL  38  -2.783 -11.470  -1.888
  288   HG21  VAL  38          HG21      VAL  38  -0.610 -10.150  -2.387
  289   HG22  VAL  38          HG22      VAL  38  -0.568  -9.739  -0.672
  290   HG23  VAL  38          HG23      VAL  38  -0.535  -8.460  -1.886
  291    H    GLY  39           HN       GLY  39  -4.799  -9.837  -4.562
  292    HA2  GLY  39           HA2      GLY  39  -6.880  -8.099  -3.511
  293    HA3  GLY  39           HA1      GLY  39  -6.985  -9.102  -4.953
  294    H    TYR  40           HN       TYR  40  -9.153  -9.302  -3.729
  295    HA   TYR  40           HA       TYR  40  -9.285 -11.080  -1.510
  296    HB2  TYR  40           HB2      TYR  40 -11.050  -9.395  -2.318
  297    HB3  TYR  40           HB1      TYR  40 -11.460 -10.585  -3.549
  298    HD1  TYR  40           HD1      TYR  40 -10.961 -10.468   0.169
  299    HD2  TYR  40           HD2      TYR  40 -13.269 -11.945  -3.093
  300    HE1  TYR  40           HE1      TYR  40 -12.464 -11.605   1.749
  301    HE2  TYR  40           HE2      TYR  40 -14.776 -13.080  -1.516
  302    HH   TYR  40           HH       TYR  40 -14.632 -12.522   1.897
  303    H    GLY  41           HN       GLY  41  -8.777 -13.180  -1.588
  304    HA2  GLY  41           HA2      GLY  41  -8.622 -14.455  -4.225
  305    HA3  GLY  41           HA1      GLY  41  -7.824 -15.008  -2.757
  306    H    GLY  42           HN       GLY  42 -11.048 -14.584  -4.177
  307    HA2  GLY  42           HA2      GLY  42 -12.780 -16.112  -4.300
  308    HA3  GLY  42           HA1      GLY  42 -11.768 -17.279  -3.459
  309    H    HIS  43           HN       HIS  43 -11.319 -16.543  -1.090
  310    HA   HIS  43           HA       HIS  43 -13.575 -15.176   0.134
  311    HB2  HIS  43           HB2      HIS  43 -14.204 -17.618  -0.035
  312    HB3  HIS  43           HB1      HIS  43 -12.835 -17.983   1.012
  313    HD1  HIS  43           HD1      HIS  43 -16.279 -16.558   1.027
  314    HD2  HIS  43           HD2      HIS  43 -13.202 -17.277   3.734
  315    HE1  HIS  43           HE1      HIS  43 -17.307 -16.291   3.306
  316    HE2  HIS  43           HE2      HIS  43 -15.467 -16.875   4.922
  317    H    GLY  44           HN       GLY  44 -10.429 -16.643   0.282
  318    HA2  GLY  44           HA2      GLY  44  -9.835 -15.211   2.775
  319    HA3  GLY  44           HA1      GLY  44  -8.875 -16.512   2.091
  320    H    HIS  45           HN       HIS  45  -7.035 -15.145   2.335
  321    HA   HIS  45           HA       HIS  45  -5.405 -13.773   1.571
  322    HB2  HIS  45           HB2      HIS  45  -7.099 -13.841  -0.926
  323    HB3  HIS  45           HB1      HIS  45  -5.573 -12.970  -0.837
  324    HD1  HIS  45           HD1      HIS  45  -4.642 -14.560  -2.700
  325    HD2  HIS  45           HD2      HIS  45  -5.643 -16.451   0.864
  326    HE1  HIS  45           HE1      HIS  45  -3.590 -16.837  -2.825
  327    HE2  HIS  45           HE2      HIS  45  -4.055 -17.887  -0.584
  328    HA   PRO  46           HA       PRO  46  -7.785 -10.124   2.981
  329    HB2  PRO  46           HB2      PRO  46  -5.604  -9.055   4.292
  330    HB3  PRO  46           HB1      PRO  46  -6.767 -10.171   5.027
  331    HG2  PRO  46           HG2      PRO  46  -4.061 -10.729   3.876
  332    HG3  PRO  46           HG1      PRO  46  -4.822 -11.401   5.330
  333    HD2  PRO  46           HD2      PRO  46  -4.685 -12.785   3.029
  334    HD3  PRO  46           HD1      PRO  46  -6.077 -12.924   4.122
  335    H    THR  47           HN       THR  47  -7.995  -8.366   1.762
  336    HA   THR  47           HA       THR  47  -6.279  -7.871  -0.419
  337    HB   THR  47           HB       THR  47  -8.376  -5.996   0.686
  338    HG1  THR  47           HG1      THR  47  -8.568  -8.468  -0.583
  339   HG21  THR  47          HG21      THR  47  -8.608  -5.338  -1.684
  340   HG22  THR  47          HG22      THR  47  -7.291  -6.427  -2.108
  341   HG23  THR  47          HG23      THR  47  -6.981  -5.030  -1.078
  342    H    GLN  48           HN       GLN  48  -4.514  -6.698  -0.562
  343    HA   GLN  48           HA       GLN  48  -3.948  -4.370   0.978
  344    HB2  GLN  48           HB2      GLN  48  -1.933  -5.357   2.135
  345    HB3  GLN  48           HB1      GLN  48  -3.481  -5.888   2.777
  346    HG2  GLN  48           HG2      GLN  48  -3.288  -7.972   1.498
  347    HG3  GLN  48           HG1      GLN  48  -1.719  -7.441   0.894
  348   HE21  GLN  48          HE21      GLN  48  -2.575  -9.744   2.563
  349   HE22  GLN  48          HE22      GLN  48  -1.564  -9.682   3.965
  350    H    VAL  49           HN       VAL  49  -1.710  -3.573   0.470
  351    HA   VAL  49           HA       VAL  49  -0.727  -4.787  -2.020
  352    HB   VAL  49           HB       VAL  49  -1.713  -2.590  -2.479
  353   HG11  VAL  49          HG11      VAL  49  -1.382  -1.513  -0.330
  354   HG12  VAL  49          HG12      VAL  49  -0.672  -0.543  -1.622
  355   HG13  VAL  49          HG13      VAL  49   0.364  -1.518  -0.577
  356   HG21  VAL  49          HG21      VAL  49   1.295  -2.598  -2.710
  357   HG22  VAL  49          HG22      VAL  49   0.186  -1.607  -3.659
  358   HG23  VAL  49          HG23      VAL  49   0.167  -3.363  -3.830
  359    H    ARG  50           HN       ARG  50   1.215  -5.608  -1.898
  360    HA   ARG  50           HA       ARG  50   2.915  -4.822   0.356
  361    HB2  ARG  50           HB2      ARG  50   4.130  -6.958  -0.086
  362    HB3  ARG  50           HB1      ARG  50   2.447  -7.177   0.369
  363    HG2  ARG  50           HG2      ARG  50   1.856  -7.541  -1.971
  364    HG3  ARG  50           HG1      ARG  50   3.545  -7.305  -2.430
  365    HD2  ARG  50           HD2      ARG  50   4.210  -9.248  -1.183
  366    HD3  ARG  50           HD1      ARG  50   2.583  -9.440  -0.531
  367    HE   ARG  50           HE       ARG  50   2.120  -9.608  -3.164
  368   HH11  ARG  50          HH11      ARG  50   4.576 -11.138  -1.178
  369   HH12  ARG  50          HH12      ARG  50   4.626 -12.578  -2.142
  370   HH21  ARG  50          HH21      ARG  50   2.191 -11.491  -4.421
  371   HH22  ARG  50          HH22      ARG  50   3.268 -12.783  -3.990
  372    H    ILE  51           HN       ILE  51   4.802  -3.866   0.055
  373    HA   ILE  51           HA       ILE  51   5.664  -3.424  -2.722
  374    HB   ILE  51           HB       ILE  51   6.369  -1.733  -0.315
  375   HG12  ILE  51          HG12      ILE  51   4.244  -1.262  -2.420
  376   HG13  ILE  51          HG11      ILE  51   3.940  -1.662  -0.735
  377   HG21  ILE  51          HG21      ILE  51   7.090  -0.102  -1.970
  378   HG22  ILE  51          HG22      ILE  51   6.599  -1.183  -3.274
  379   HG23  ILE  51          HG23      ILE  51   7.935  -1.632  -2.212
  380   HD11  ILE  51          HD11      ILE  51   4.927   0.441  -0.042
  381   HD12  ILE  51          HD12      ILE  51   3.625   0.713  -1.197
  382   HD13  ILE  51          HD13      ILE  51   5.306   0.832  -1.717
  383    H    VAL  52           HN       VAL  52   7.433  -4.435  -3.303
  384    HA   VAL  52           HA       VAL  52   9.401  -5.215  -1.251
  385    HB   VAL  52           HB       VAL  52   8.840  -6.667  -3.851
  386   HG11  VAL  52          HG11      VAL  52  10.485  -7.477  -1.456
  387   HG12  VAL  52          HG12      VAL  52  11.111  -6.968  -3.024
  388   HG13  VAL  52          HG13      VAL  52  10.185  -8.463  -2.886
  389   HG21  VAL  52          HG21      VAL  52   6.903  -6.866  -2.404
  390   HG22  VAL  52          HG22      VAL  52   7.931  -7.379  -1.065
  391   HG23  VAL  52          HG23      VAL  52   7.763  -8.404  -2.490
  392    H    ALA  53           HN       ALA  53  11.539  -4.701  -1.689
  393    HA   ALA  53           HA       ALA  53  11.986  -3.285  -4.230
  394    HB1  ALA  53           HB1      ALA  53  13.225  -2.435  -1.626
  395    HB2  ALA  53           HB2      ALA  53  11.737  -1.740  -2.262
  396    HB3  ALA  53           HB3      ALA  53  13.243  -1.580  -3.167
  397    HA   PRO  54           HA       PRO  54  15.509  -6.086  -4.130
  398    HB2  PRO  54           HB2      PRO  54  15.532  -6.408  -6.876
  399    HB3  PRO  54           HB1      PRO  54  14.644  -7.445  -5.752
  400    HG2  PRO  54           HG2      PRO  54  13.608  -5.554  -7.679
  401    HG3  PRO  54           HG1      PRO  54  12.721  -6.709  -6.676
  402    HD2  PRO  54           HD2      PRO  54  13.087  -3.836  -6.305
  403    HD3  PRO  54           HD1      PRO  54  11.965  -4.939  -5.485
  404    H    HIS  55           HN       HIS  55  17.601  -5.460  -4.368
  405    HA   HIS  55           HA       HIS  55  18.002  -2.806  -5.522
  406    HB2  HIS  55           HB2      HIS  55  20.154  -2.806  -4.227
  407    HB3  HIS  55           HB1      HIS  55  18.702  -2.880  -3.243
  408    HD1  HIS  55           HD1      HIS  55  21.835  -4.683  -3.991
  409    HD2  HIS  55           HD2      HIS  55  18.271  -5.420  -1.987
  410    HE1  HIS  55           HE1      HIS  55  22.273  -6.689  -2.547
  411    HE2  HIS  55           HE2      HIS  55  20.142  -7.043  -1.254
  412    H    ALA  56           HN       ALA  56  18.075  -3.459  -7.689
  413    HA   ALA  56           HA       ALA  56  19.982  -5.233  -8.759
  414    HB1  ALA  56           HB1      ALA  56  18.087  -4.370 -10.053
  415    HB2  ALA  56           HB2      ALA  56  19.620  -4.083 -10.874
  416    HB3  ALA  56           HB3      ALA  56  18.811  -2.762 -10.034
  417    H    GLU  57           HN       GLU  57  20.070  -1.829  -7.953
  418    HA   GLU  57           HA       GLU  57  22.783  -1.375  -8.688
  419    HB2  GLU  57           HB2      GLU  57  21.046   0.041  -6.646
  420    HB3  GLU  57           HB1      GLU  57  22.563   0.648  -7.292
  421    HG2  GLU  57           HG2      GLU  57  21.636   1.024  -9.412
  422    HG3  GLU  57           HG1      GLU  57  20.216   0.037  -9.056
  423    H    HIS  58           HN       HIS  58  24.623  -1.542  -7.422
  424    HA   HIS  58           HA       HIS  58  24.412  -3.420  -5.237
  425    HB2  HIS  58           HB2      HIS  58  26.790  -2.161  -6.604
  426    HB3  HIS  58           HB1      HIS  58  26.943  -3.214  -5.201
  427    HD1  HIS  58           HD1      HIS  58  26.951  -5.677  -5.624
  428    HD2  HIS  58           HD2      HIS  58  25.621  -3.508  -8.912
  429    HE1  HIS  58           HE1      HIS  58  26.697  -7.351  -7.481
  430    HE2  HIS  58           HE2      HIS  58  25.692  -6.047  -9.389
  431    H    VAL  59           HN       VAL  59  23.057  -1.567  -4.245
  432    HA   VAL  59           HA       VAL  59  24.692   0.257  -2.668
  433    HB   VAL  59           HB       VAL  59  21.701  -0.151  -2.483
  434   HG11  VAL  59          HG11      VAL  59  23.487   2.137  -1.659
  435   HG12  VAL  59          HG12      VAL  59  22.697   0.987  -0.580
  436   HG13  VAL  59          HG13      VAL  59  21.729   2.112  -1.531
  437   HG21  VAL  59          HG21      VAL  59  22.243   0.454  -4.775
  438   HG22  VAL  59          HG22      VAL  59  23.229   1.800  -4.208
  439   HG23  VAL  59          HG23      VAL  59  21.484   1.818  -3.952
  440    H    ARG  60           HN       ARG  60  25.814  -1.498  -1.646
  441    HA   ARG  60           HA       ARG  60  24.395  -3.341   0.035
  442    HB2  ARG  60           HB2      ARG  60  26.523  -3.948  -1.066
  443    HB3  ARG  60           HB1      ARG  60  27.353  -2.713  -0.138
  444    HG2  ARG  60           HG2      ARG  60  27.737  -4.935   0.767
  445    HG3  ARG  60           HG1      ARG  60  26.894  -3.897   1.913
  446    HD2  ARG  60           HD2      ARG  60  24.786  -4.974   1.395
  447    HD3  ARG  60           HD1      ARG  60  25.560  -5.947   0.142
  448    HE   ARG  60           HE       ARG  60  26.908  -6.412   2.537
  449   HH11  ARG  60          HH11      ARG  60  23.715  -6.957   1.201
  450   HH12  ARG  60          HH12      ARG  60  23.449  -8.402   2.120
  451   HH21  ARG  60          HH21      ARG  60  26.552  -8.326   3.730
  452   HH22  ARG  60          HH22      ARG  60  25.054  -9.183   3.543
  453    H    GLY  61           HN       GLY  61  23.230  -1.605   1.156
  454    HA2  GLY  61           HA2      GLY  61  24.799  -0.294   3.262
  455    HA3  GLY  61           HA1      GLY  61  23.123   0.059   2.854
  456    H    TYR  62           HN       TYR  62  21.524  -1.649   3.364
  457    HA   TYR  62           HA       TYR  62  22.284  -2.982   5.872
  458    HB2  TYR  62           HB2      TYR  62  19.489  -2.402   4.847
  459    HB3  TYR  62           HB1      TYR  62  19.920  -2.997   6.449
  460    HD1  TYR  62           HD2      TYR  62  21.621  -1.377   7.764
  461    HD2  TYR  62           HD1      TYR  62  19.012  -0.161   4.624
  462    HE1  TYR  62           HE2      TYR  62  21.728   0.943   8.577
  463    HE2  TYR  62           HE1      TYR  62  19.121   2.160   5.431
  464    HH   TYR  62           HH       TYR  62  21.417   3.254   7.574
  465    H    ALA  63           HN       ALA  63  22.076  -5.169   6.097
  466    HA   ALA  63           HA       ALA  63  21.813  -6.682   3.641
  467    HB1  ALA  63           HB1      ALA  63  23.654  -7.153   5.177
  468    HB2  ALA  63           HB2      ALA  63  22.622  -8.565   4.960
  469    HB3  ALA  63           HB3      ALA  63  22.497  -7.600   6.430
  470    H    HIS  64           HN       HIS  64  19.391  -5.649   4.132
  471    HA   HIS  64           HA       HIS  64  17.830  -8.044   4.759
  472    HB2  HIS  64           HB2      HIS  64  17.173  -5.292   5.853
  473    HB3  HIS  64           HB1      HIS  64  16.134  -6.709   5.971
  474    HD1  HIS  64           HD1      HIS  64  16.798  -8.527   7.701
  475    HD2  HIS  64           HD2      HIS  64  19.308  -5.213   7.647
  476    HE1  HIS  64           HE1      HIS  64  18.188  -8.697   9.786
  477    HE2  HIS  64           HE2      HIS  64  19.783  -6.752   9.669
  478    HA   PRO  65           HA       PRO  65  16.093  -6.679   0.854
  479    HB2  PRO  65           HB2      PRO  65  14.193  -8.645   0.724
  480    HB3  PRO  65           HB1      PRO  65  15.872  -8.873   0.231
  481    HG2  PRO  65           HG2      PRO  65  14.521  -9.652   2.779
  482    HG3  PRO  65           HG1      PRO  65  15.723 -10.543   1.828
  483    HD2  PRO  65           HD2      PRO  65  16.362  -9.183   4.076
  484    HD3  PRO  65           HD1      PRO  65  17.489  -9.359   2.718
  485    H    LEU  66           HN       LEU  66  14.459  -5.295   0.443
  486    HA   LEU  66           HA       LEU  66  12.879  -4.436   2.675
  487    HB2  LEU  66           HB2      LEU  66  13.985  -2.956   0.941
  488    HB3  LEU  66           HB1      LEU  66  12.726  -3.459  -0.165
  489    HG   LEU  66           HG       LEU  66  12.026  -2.160   2.453
  490   HD11  LEU  66          HD11      LEU  66  11.973  -0.008   1.249
  491   HD12  LEU  66          HD12      LEU  66  12.750  -0.786  -0.129
  492   HD13  LEU  66          HD13      LEU  66  13.603  -0.660   1.409
  493   HD21  LEU  66          HD21      LEU  66  10.655  -2.265  -0.234
  494   HD22  LEU  66          HD22      LEU  66  10.038  -1.460   1.208
  495   HD23  LEU  66          HD23      LEU  66  10.220  -3.215   1.187
  496    H    ASN  67           HN       ASN  67  10.854  -4.893   3.119
  497    HA   ASN  67           HA       ASN  67   8.960  -5.678   1.076
  498    HB2  ASN  67           HB2      ASN  67  10.023  -7.846   1.802
  499    HB3  ASN  67           HB1      ASN  67   9.463  -7.516   3.441
  500   HD21  ASN  67          HD21      ASN  67   7.244  -7.633   3.891
  501   HD22  ASN  67          HD22      ASN  67   6.141  -8.449   2.840
  502    H    LEU  68           HN       LEU  68   6.826  -5.167   1.721
  503    HA   LEU  68           HA       LEU  68   6.478  -3.993   4.341
  504    HB2  LEU  68           HB2      LEU  68   7.438  -2.115   3.224
  505    HB3  LEU  68           HB1      LEU  68   6.508  -2.413   1.772
  506    HG   LEU  68           HG       LEU  68   4.446  -1.766   3.003
  507   HD11  LEU  68          HD11      LEU  68   6.388  -1.025   5.181
  508   HD12  LEU  68          HD12      LEU  68   5.137  -2.267   5.263
  509   HD13  LEU  68          HD13      LEU  68   4.686  -0.568   5.129
  510   HD21  LEU  68          HD21      LEU  68   6.613   0.327   3.047
  511   HD22  LEU  68          HD22      LEU  68   4.874   0.609   2.958
  512   HD23  LEU  68          HD23      LEU  68   5.712  -0.170   1.617
  513    H    ALA  69           HN       ALA  69   4.448  -4.302   4.984
  514    HA   ALA  69           HA       ALA  69   2.455  -5.037   2.931
  515    HB1  ALA  69           HB1      ALA  69   3.053  -6.888   4.431
  516    HB2  ALA  69           HB2      ALA  69   1.358  -6.422   4.596
  517    HB3  ALA  69           HB3      ALA  69   2.533  -5.923   5.813
  518    H    LEU  70           HN       LEU  70   1.208  -3.337   2.555
  519    HA   LEU  70           HA       LEU  70   0.434  -1.558   4.744
  520    HB2  LEU  70           HB2      LEU  70   0.012  -1.370   1.754
  521    HB3  LEU  70           HB1      LEU  70  -0.529  -0.166   2.907
  522    HG   LEU  70           HG       LEU  70   2.373  -0.911   2.493
  523   HD11  LEU  70          HD11      LEU  70   1.430   0.049   0.460
  524   HD12  LEU  70          HD12      LEU  70   2.558   1.160   1.238
  525   HD13  LEU  70          HD13      LEU  70   0.819   1.419   1.387
  526   HD21  LEU  70          HD21      LEU  70   2.785   1.202   3.668
  527   HD22  LEU  70          HD22      LEU  70   1.903   0.055   4.674
  528   HD23  LEU  70          HD23      LEU  70   1.049   1.398   3.913
  529    H    THR  71           HN       THR  71  -1.378  -2.099   5.837
  530    HA   THR  71           HA       THR  71  -3.602  -3.216   4.266
  531    HB   THR  71           HB       THR  71  -4.381  -4.290   6.393
  532    HG1  THR  71           HG1      THR  71  -1.885  -3.273   7.304
  533   HG21  THR  71          HG21      THR  71  -2.694  -6.106   6.416
  534   HG22  THR  71          HG22      THR  71  -1.640  -5.106   5.417
  535   HG23  THR  71          HG23      THR  71  -3.192  -5.657   4.787
  536    H    TRP  72           HN       TRP  72  -5.695  -2.473   4.813
  537    HA   TRP  72           HA       TRP  72  -5.734  -0.031   6.447
  538    HB2  TRP  72           HB2      TRP  72  -6.966  -0.483   3.726
  539    HB3  TRP  72           HB1      TRP  72  -7.475   0.828   4.793
  540    HD1  TRP  72           HD1      TRP  72  -5.671   2.792   5.249
  541    HE1  TRP  72           HE1      TRP  72  -3.675   3.615   3.853
  542    HE3  TRP  72           HE3      TRP  72  -5.141  -1.236   2.144
  543    HZ2  TRP  72           HZ2      TRP  72  -2.090   2.685   1.715
  544    HZ3  TRP  72           HZ3      TRP  72  -3.359  -1.186   0.449
  545    HH2  TRP  72           HH2      TRP  72  -1.867   0.738   0.245
  546    H    ASN  73           HN       ASN  73  -7.730   0.486   7.409
  547    HA   ASN  73           HA       ASN  73  -9.002  -1.646   8.659
  548    HB2  ASN  73           HB2      ASN  73  -9.915   1.211   8.290
  549    HB3  ASN  73           HB1      ASN  73 -10.681   0.069   9.388
  550   HD21  ASN  73          HD21      ASN  73  -9.350   2.604   9.947
  551   HD22  ASN  73          HD22      ASN  73  -8.077   2.244  11.062
  552    H    THR  74           HN       THR  74 -10.489  -3.028   8.012
  553    HA   THR  74           HA       THR  74 -11.533  -3.112   5.418
  554    HB   THR  74           HB       THR  74 -12.762  -4.493   7.809
  555    HG1  THR  74           HG1      THR  74 -10.995  -5.641   7.986
  556   HG21  THR  74          HG21      THR  74 -13.953  -4.747   5.666
  557   HG22  THR  74          HG22      THR  74 -13.254  -6.272   6.211
  558   HG23  THR  74          HG23      THR  74 -12.472  -5.356   4.924
  559    H    ASP  75           HN       ASP  75 -12.769  -1.677   8.329
  560    HA   ASP  75           HA       ASP  75 -15.456  -1.286   7.445
  561    HB2  ASP  75           HB2      ASP  75 -14.853  -1.176   9.830
  562    HB3  ASP  75           HB1      ASP  75 -13.857   0.242   9.514
  563    H    GLU  76           HN       GLU  76 -12.563   0.705   7.513
  564    HA   GLU  76           HA       GLU  76 -13.562   2.993   6.299
  565    HB2  GLU  76           HB2      GLU  76 -11.277   2.611   7.377
  566    HB3  GLU  76           HB1      GLU  76 -10.778   1.946   5.828
  567    HG2  GLU  76           HG2      GLU  76 -10.119   4.254   5.998
  568    HG3  GLU  76           HG1      GLU  76 -11.345   4.067   4.744
  569    H    ILE  77           HN       ILE  77 -12.253   0.038   4.836
  570    HA   ILE  77           HA       ILE  77 -12.307   0.802   2.165
  571    HB   ILE  77           HB       ILE  77 -12.943  -1.926   3.310
  572   HG12  ILE  77          HG12      ILE  77 -10.317  -0.727   2.379
  573   HG13  ILE  77          HG11      ILE  77 -10.757  -1.102   4.045
  574   HG21  ILE  77          HG21      ILE  77 -12.247  -2.793   1.118
  575   HG22  ILE  77          HG22      ILE  77 -12.071  -1.141   0.527
  576   HG23  ILE  77          HG23      ILE  77 -13.661  -1.747   0.990
  577   HD11  ILE  77          HD11      ILE  77 -10.384  -3.093   1.815
  578   HD12  ILE  77          HD12      ILE  77 -10.858  -3.481   3.467
  579   HD13  ILE  77          HD13      ILE  77  -9.270  -2.788   3.147
  580    H    GLU  78           HN       GLU  78 -14.903  -0.564   4.159
  581    HA   GLU  78           HA       GLU  78 -16.899  -0.641   2.168
  582    HB2  GLU  78           HB2      GLU  78 -16.990  -1.742   4.431
  583    HB3  GLU  78           HB1      GLU  78 -17.281  -0.158   5.132
  584    HG2  GLU  78           HG2      GLU  78 -19.393  -1.085   4.974
  585    HG3  GLU  78           HG1      GLU  78 -19.295  -0.046   3.554
  586    H    ARG  79           HN       ARG  79 -15.851   1.876   4.393
  587    HA   ARG  79           HA       ARG  79 -17.927   3.707   3.832
  588    HB2  ARG  79           HB2      ARG  79 -16.392   3.668   5.861
  589    HB3  ARG  79           HB1      ARG  79 -15.173   4.416   4.841
  590    HG2  ARG  79           HG2      ARG  79 -17.823   5.732   4.943
  591    HG3  ARG  79           HG1      ARG  79 -16.827   5.811   6.394
  592    HD2  ARG  79           HD2      ARG  79 -15.860   6.596   3.651
  593    HD3  ARG  79           HD1      ARG  79 -16.558   7.731   4.804
  594    HE   ARG  79           HE       ARG  79 -14.220   6.128   5.590
  595   HH11  ARG  79          HH11      ARG  79 -15.650   9.259   4.867
  596   HH12  ARG  79          HH12      ARG  79 -14.304  10.149   5.498
  597   HH21  ARG  79          HH21      ARG  79 -12.470   7.310   6.441
  598   HH22  ARG  79          HH22      ARG  79 -12.504   9.050   6.401
  599    H    LEU  80           HN       LEU  80 -14.935   2.973   2.212
  600    HA   LEU  80           HA       LEU  80 -14.593   5.377   0.780
  601    HB2  LEU  80           HB2      LEU  80 -13.798   2.559   0.066
  602    HB3  LEU  80           HB1      LEU  80 -13.313   3.972  -0.849
  603    HG   LEU  80           HG       LEU  80 -12.567   3.345   2.009
  604   HD11  LEU  80          HD11      LEU  80 -10.940   3.447  -0.527
  605   HD12  LEU  80          HD12      LEU  80 -11.387   1.996   0.369
  606   HD13  LEU  80          HD13      LEU  80 -10.302   3.179   1.095
  607   HD21  LEU  80          HD21      LEU  80 -11.084   5.337   1.791
  608   HD22  LEU  80          HD22      LEU  80 -12.802   5.726   1.825
  609   HD23  LEU  80          HD23      LEU  80 -11.924   5.744   0.295
  610    H    MET  81           HN       MET  81 -17.001   3.027   0.523
  611    HA   MET  81           HA       MET  81 -17.563   3.297  -2.270
  612    HB2  MET  81           HB2      MET  81 -18.980   2.103   0.076
  613    HB3  MET  81           HB1      MET  81 -19.883   2.395  -1.402
  614    HG2  MET  81           HG2      MET  81 -17.358   0.763  -1.222
  615    HG3  MET  81           HG1      MET  81 -18.997   0.105  -1.237
  616    HE1  MET  81           HE1      MET  81 -20.277   2.332  -3.357
  617    HE2  MET  81           HE2      MET  81 -20.715   0.628  -3.248
  618    HE3  MET  81           HE3      MET  81 -20.228   1.315  -4.796
  619    H    GLU  82           HN       GLU  82 -18.155   5.231   0.467
  620    HA   GLU  82           HA       GLU  82 -20.445   6.609  -0.636
  621    HB2  GLU  82           HB2      GLU  82 -19.489   6.305   1.912
  622    HB3  GLU  82           HB1      GLU  82 -18.861   7.896   1.515
  623    HG2  GLU  82           HG2      GLU  82 -21.745   7.038   1.511
  624    HG3  GLU  82           HG1      GLU  82 -20.957   8.119   2.650
  625    H    ALA  83           HN       ALA  83 -20.391   8.832  -1.332
  626    HA   ALA  83           HA       ALA  83 -18.277   9.508  -3.044
  627    HB1  ALA  83           HB1      ALA  83 -20.367  11.333  -1.857
  628    HB2  ALA  83           HB2      ALA  83 -20.553  10.367  -3.321
  629    HB3  ALA  83           HB3      ALA  83 -19.373  11.677  -3.273
  630    H    ASP  84           HN       ASP  84 -18.952  10.415   0.290
  631    HA   ASP  84           HA       ASP  84 -16.904  12.355   0.553
  632    HB2  ASP  84           HB2      ASP  84 -18.766  12.113   2.187
  633    HB3  ASP  84           HB1      ASP  84 -18.081  10.575   2.708
  634    H    GLY  85           HN       GLY  85 -16.924   8.898   0.599
  635    HA2  GLY  85           HA2      GLY  85 -14.402   8.612   1.957
  636    HA3  GLY  85           HA1      GLY  85 -15.326   7.338   1.165
  637    H    ALA  86           HN       ALA  86 -15.527   8.076  -1.395
  638    HA   ALA  86           HA       ALA  86 -13.094   7.676  -2.591
  639    HB1  ALA  86           HB1      ALA  86 -15.256   7.427  -3.714
  640    HB2  ALA  86           HB2      ALA  86 -14.131   8.402  -4.660
  641    HB3  ALA  86           HB3      ALA  86 -15.428   9.181  -3.753
  642    H    ALA  87           HN       ALA  87 -14.652  10.778  -1.841
  643    HA   ALA  87           HA       ALA  87 -12.763  12.468  -3.009
  644    HB1  ALA  87           HB1      ALA  87 -14.933  13.235  -2.176
  645    HB2  ALA  87           HB2      ALA  87 -13.610  14.194  -1.514
  646    HB3  ALA  87           HB3      ALA  87 -14.391  12.963  -0.520
  647    H    ARG  88           HN       ARG  88 -12.772  10.839   0.102
  648    HA   ARG  88           HA       ARG  88 -10.513  12.176   1.201
  649    HB2  ARG  88           HB2      ARG  88 -12.168  10.915   2.545
  650    HB3  ARG  88           HB1      ARG  88 -11.632   9.424   1.790
  651    HG2  ARG  88           HG2      ARG  88 -10.514   9.357   3.790
  652    HG3  ARG  88           HG1      ARG  88  -9.305  10.097   2.742
  653    HD2  ARG  88           HD2      ARG  88 -11.209  11.700   4.429
  654    HD3  ARG  88           HD1      ARG  88  -9.643  11.159   5.017
  655    HE   ARG  88           HE       ARG  88  -8.630  12.524   3.256
  656   HH11  ARG  88          HH11      ARG  88 -12.006  13.128   3.947
  657   HH12  ARG  88          HH12      ARG  88 -11.914  14.812   3.556
  658   HH21  ARG  88          HH21      ARG  88  -8.487  14.751   2.790
  659   HH22  ARG  88          HH22      ARG  88  -9.923  15.738   2.883
  660    H    PHE  89           HN       PHE  89 -10.989   9.251  -0.702
  661    HA   PHE  89           HA       PHE  89  -8.369   8.241  -0.540
  662    HB2  PHE  89           HB2      PHE  89 -10.333   6.918  -1.295
  663    HB3  PHE  89           HB1      PHE  89 -10.376   7.867  -2.778
  664    HD1  PHE  89           HD2      PHE  89  -8.344   5.462  -0.837
  665    HD2  PHE  89           HD1      PHE  89  -8.996   7.315  -4.614
  666    HE1  PHE  89           HE2      PHE  89  -6.796   3.874  -1.883
  667    HE2  PHE  89           HE1      PHE  89  -7.448   5.728  -5.662
  668    HZ   PHE  89           HZ       PHE  89  -6.343   4.004  -4.301
  669    H    GLU  90           HN       GLU  90  -9.906  10.453  -2.850
  670    HA   GLU  90           HA       GLU  90  -7.820  10.615  -4.699
  671    HB2  GLU  90           HB2      GLU  90  -9.870  12.669  -3.857
  672    HB3  GLU  90           HB1      GLU  90  -8.768  12.905  -5.205
  673    HG2  GLU  90           HG2      GLU  90 -10.844  10.735  -4.969
  674    HG3  GLU  90           HG1      GLU  90 -10.949  12.178  -5.975
  675    H    ARG  91           HN       ARG  91  -8.413  12.462  -1.734
  676    HA   ARG  91           HA       ARG  91  -6.131  14.148  -2.152
  677    HB2  ARG  91           HB2      ARG  91  -8.265  14.703  -0.839
  678    HB3  ARG  91           HB1      ARG  91  -7.557  13.769   0.470
  679    HG2  ARG  91           HG2      ARG  91  -5.693  15.259   0.609
  680    HG3  ARG  91           HG1      ARG  91  -6.216  16.123  -0.837
  681    HD2  ARG  91           HD2      ARG  91  -7.621  16.009   1.826
  682    HD3  ARG  91           HD1      ARG  91  -6.804  17.401   1.116
  683    HE   ARG  91           HE       ARG  91  -8.829  16.489  -0.626
  684   HH11  ARG  91          HH11      ARG  91  -8.404  18.172   2.416
  685   HH12  ARG  91          HH12      ARG  91  -9.912  19.023   2.295
  686   HH21  ARG  91          HH21      ARG  91 -10.797  17.599  -0.793
  687   HH22  ARG  91          HH22      ARG  91 -11.275  18.700   0.460
  688    H    TYR  92           HN       TYR  92  -6.603  11.011  -0.947
  689    HA   TYR  92           HA       TYR  92  -4.332  10.951   0.820
  690    HB2  TYR  92           HB2      TYR  92  -6.219   9.393   1.146
  691    HB3  TYR  92           HB1      TYR  92  -5.909   8.688  -0.436
  692    HD1  TYR  92           HD1      TYR  92  -4.198   9.312   2.823
  693    HD2  TYR  92           HD2      TYR  92  -4.596   6.783  -0.575
  694    HE1  TYR  92           HE1      TYR  92  -2.662   7.696   3.856
  695    HE2  TYR  92           HE2      TYR  92  -3.060   5.156   0.450
  696    HH   TYR  92           HH       TYR  92  -2.130   5.306   3.716
  697    H    LEU  93           HN       LEU  93  -5.049  10.216  -2.524
  698    HA   LEU  93           HA       LEU  93  -2.609   9.008  -3.231
  699    HB2  LEU  93           HB2      LEU  93  -4.405  10.747  -4.935
  700    HB3  LEU  93           HB1      LEU  93  -3.158   9.671  -5.538
  701    HG   LEU  93           HG       LEU  93  -5.649   8.791  -4.066
  702   HD11  LEU  93          HD11      LEU  93  -4.943   8.671  -6.993
  703   HD12  LEU  93          HD12      LEU  93  -6.188   9.679  -6.255
  704   HD13  LEU  93          HD13      LEU  93  -6.355   7.923  -6.248
  705   HD21  LEU  93          HD21      LEU  93  -3.451   7.224  -5.408
  706   HD22  LEU  93          HD22      LEU  93  -4.975   6.539  -4.849
  707   HD23  LEU  93          HD23      LEU  93  -3.846   7.236  -3.690
  708    H    ALA  94           HN       ALA  94  -3.646  12.364  -3.086
  709    HA   ALA  94           HA       ALA  94  -1.244  13.491  -4.075
  710    HB1  ALA  94           HB1      ALA  94  -3.376  14.693  -4.060
  711    HB2  ALA  94           HB2      ALA  94  -2.111  15.604  -3.234
  712    HB3  ALA  94           HB3      ALA  94  -3.335  14.743  -2.299
  713    H    ALA  95           HN       ALA  95  -2.014  12.076  -1.058
  714    HA   ALA  95           HA       ALA  95   0.130  13.545   0.306
  715    HB1  ALA  95           HB1      ALA  95  -0.813  12.697   2.381
  716    HB2  ALA  95           HB2      ALA  95  -1.994  11.754   1.470
  717    HB3  ALA  95           HB3      ALA  95  -2.047  13.515   1.423
  718    H    LEU  96           HN       LEU  96  -0.247  10.767  -1.414
  719    HA   LEU  96           HA       LEU  96   0.917   8.745   0.038
  720    HB2  LEU  96           HB2      LEU  96   1.114   9.375  -2.891
  721    HB3  LEU  96           HB1      LEU  96   1.849   7.944  -2.199
  722    HG   LEU  96           HG       LEU  96  -1.091   8.575  -2.000
  723   HD11  LEU  96          HD11      LEU  96   0.341   6.726  -3.903
  724   HD12  LEU  96          HD12      LEU  96  -0.422   8.258  -4.332
  725   HD13  LEU  96          HD13      LEU  96  -1.406   6.914  -3.751
  726   HD21  LEU  96          HD21      LEU  96  -1.255   6.178  -1.426
  727   HD22  LEU  96          HD22      LEU  96  -0.327   7.099  -0.246
  728   HD23  LEU  96          HD23      LEU  96   0.506   6.082  -1.422
  729    HA   PRO  97           HA       PRO  97   5.392  10.303  -1.387
  730    HB2  PRO  97           HB2      PRO  97   5.380  13.105  -1.345
  731    HB3  PRO  97           HB1      PRO  97   5.503  12.090  -2.783
  732    HG2  PRO  97           HG2      PRO  97   3.113  13.437  -1.610
  733    HG3  PRO  97           HG1      PRO  97   3.535  13.180  -3.313
  734    HD2  PRO  97           HD2      PRO  97   1.666  11.698  -2.115
  735    HD3  PRO  97           HD1      PRO  97   2.792  10.974  -3.286
  736    H    ARG  98           HN       ARG  98   3.233  12.243   0.612
  737    HA   ARG  98           HA       ARG  98   5.216  12.934   2.541
  738    HB2  ARG  98           HB2      ARG  98   3.197  14.295   2.145
  739    HB3  ARG  98           HB1      ARG  98   2.204  12.996   2.788
  740    HG2  ARG  98           HG2      ARG  98   3.198  13.257   4.967
  741    HG3  ARG  98           HG1      ARG  98   4.322  14.466   4.342
  742    HD2  ARG  98           HD2      ARG  98   1.318  14.716   4.422
  743    HD3  ARG  98           HD1      ARG  98   2.450  15.514   5.513
  744    HE   ARG  98           HE       ARG  98   3.342  16.450   3.230
  745   HH11  ARG  98          HH11      ARG  98   0.009  16.037   4.249
  746   HH12  ARG  98          HH12      ARG  98  -0.580  17.336   3.263
  747   HH21  ARG  98          HH21      ARG  98   2.545  18.160   1.931
  748   HH22  ARG  98          HH22      ARG  98   0.852  18.533   1.947
  749    H    LYS  99           HN       LYS  99   2.725  10.435   2.362
  750    HA   LYS  99           HA       LYS  99   3.146   9.557   5.061
  751    HB2  LYS  99           HB2      LYS  99   1.651   8.318   2.754
  752    HB3  LYS  99           HB1      LYS  99   1.708   7.615   4.360
  753    HG2  LYS  99           HG2      LYS  99   0.532  10.279   3.593
  754    HG3  LYS  99           HG1      LYS  99  -0.345   8.833   4.097
  755    HD2  LYS  99           HD2      LYS  99   0.734   8.962   6.301
  756    HD3  LYS  99           HD1      LYS  99   1.580  10.422   5.796
  757    HE2  LYS  99           HE2      LYS  99  -0.294  11.103   7.084
  758    HE3  LYS  99           HE1      LYS  99  -0.656  11.473   5.400
  759    HZ1  LYS  99           HZ1      LYS  99  -1.671   9.159   6.960
  760    HZ2  LYS  99           HZ2      LYS  99  -1.953   9.398   5.312
  761    HZ3  LYS  99           HZ3      LYS  99  -2.568  10.499   6.438
  762    H    LEU 100           HN       LEU 100   4.131   8.412   1.867
  763    HA   LEU 100           HA       LEU 100   5.463   6.093   2.676
  764    HB2  LEU 100           HB2      LEU 100   5.630   7.886   0.311
  765    HB3  LEU 100           HB1      LEU 100   6.945   6.759   0.562
  766    HG   LEU 100           HG       LEU 100   5.208   5.946  -1.016
  767   HD11  LEU 100          HD11      LEU 100   5.500   4.313   1.495
  768   HD12  LEU 100          HD12      LEU 100   6.633   4.365   0.147
  769   HD13  LEU 100          HD13      LEU 100   5.016   3.705  -0.086
  770   HD21  LEU 100          HD21      LEU 100   3.454   5.897   1.433
  771   HD22  LEU 100          HD22      LEU 100   3.065   5.154  -0.118
  772   HD23  LEU 100          HD23      LEU 100   3.232   6.906   0.003
  773    H    ALA 101           HN       ALA 101   6.641   9.420   2.350
  774    HA   ALA 101           HA       ALA 101   9.320   8.878   3.050
  775    HB1  ALA 101           HB1      ALA 101   8.634  10.939   1.930
  776    HB2  ALA 101           HB2      ALA 101   9.513  11.284   3.419
  777    HB3  ALA 101           HB3      ALA 101   7.757  11.436   3.377
  778    H    ALA 102           HN       ALA 102   6.445   9.444   4.901
  779    HA   ALA 102           HA       ALA 102   7.678  10.035   7.389
  780    HB1  ALA 102           HB1      ALA 102   5.363  10.652   6.915
  781    HB2  ALA 102           HB2      ALA 102   5.469   9.649   8.361
  782    HB3  ALA 102           HB3      ALA 102   4.919   8.948   6.839
  783    H    TRP 103           HN       TRP 103   6.444   7.060   5.924
  784    HA   TRP 103           HA       TRP 103   6.957   5.433   8.197
  785    HB2  TRP 103           HB2      TRP 103   6.523   4.709   5.289
  786    HB3  TRP 103           HB1      TRP 103   6.652   3.523   6.587
  787    HD1  TRP 103           HD1      TRP 103   4.809   4.926   8.763
  788    HE1  TRP 103           HE1      TRP 103   2.265   5.058   8.384
  789    HE3  TRP 103           HE3      TRP 103   4.712   4.318   3.692
  790    HZ2  TRP 103           HZ2      TRP 103   0.465   4.931   6.219
  791    HZ3  TRP 103           HZ3      TRP 103   2.538   4.331   2.544
  792    HH2  TRP 103           HH2      TRP 103   0.459   4.630   3.784
  793    H    GLU 104           HN       GLU 104   8.844   6.313   5.353
  794    HA   GLU 104           HA       GLU 104  10.921   4.466   5.585
  795    HB2  GLU 104           HB2      GLU 104  11.066   7.351   4.696
  796    HB3  GLU 104           HB1      GLU 104  12.350   6.179   4.477
  797    HG2  GLU 104           HG2      GLU 104  10.835   4.831   3.065
  798    HG3  GLU 104           HG1      GLU 104   9.612   6.097   3.232
  799    H    ASN 105           HN       ASN 105  10.635   7.698   6.989
  800    HA   ASN 105           HA       ASN 105  13.114   7.658   8.333
  801    HB2  ASN 105           HB2      ASN 105  11.879   9.722   7.749
  802    HB3  ASN 105           HB1      ASN 105  10.654   9.312   8.945
  803   HD21  ASN 105          HD21      ASN 105  13.954  10.341   8.463
  804   HD22  ASN 105          HD22      ASN 105  14.221  10.898  10.080
  805    H    ALA 106           HN       ALA 106   9.961   6.479   9.243
  806    HA   ALA 106           HA       ALA 106  10.639   6.434  12.061
  807    HB1  ALA 106           HB1      ALA 106   8.157   5.408  10.700
  808    HB2  ALA 106           HB2      ALA 106   8.371   7.049  11.307
  809    HB3  ALA 106           HB3      ALA 106   8.375   5.685  12.426
  810    H    ARG 107           HN       ARG 107   9.912   4.025   9.534
  811    HA   ARG 107           HA       ARG 107  10.400   1.908  11.474
  812    HB2  ARG 107           HB2      ARG 107   9.528   1.669   8.596
  813    HB3  ARG 107           HB1      ARG 107   9.505   0.389   9.798
  814    HG2  ARG 107           HG2      ARG 107   7.854   2.912   9.862
  815    HG3  ARG 107           HG1      ARG 107   7.280   1.300   9.434
  816    HD2  ARG 107           HD2      ARG 107   8.381   2.120  12.130
  817    HD3  ARG 107           HD1      ARG 107   6.681   1.902  11.738
  818    HE   ARG 107           HE       ARG 107   8.548  -0.348  11.448
  819   HH11  ARG 107          HH11      ARG 107   5.792   1.116  13.043
  820   HH12  ARG 107          HH12      ARG 107   5.289  -0.362  13.797
  821   HH21  ARG 107          HH21      ARG 107   7.868  -2.301  12.425
  822   HH22  ARG 107          HH22      ARG 107   6.457  -2.303  13.435
  823    H    GLY 108           HN       GLY 108  12.365   3.578   9.384
  824    HA2  GLY 108           HA2      GLY 108  14.631   3.164   8.994
  825    HA3  GLY 108           HA1      GLY 108  14.418   1.553   9.672
  826    H    VAL 109           HN       VAL 109  12.926   3.266   6.986
  827    HA   VAL 109           HA       VAL 109  13.660   1.033   5.209
  828    HB   VAL 109           HB       VAL 109  11.073   2.605   5.267
  829   HG11  VAL 109          HG11      VAL 109  11.938   0.522   3.272
  830   HG12  VAL 109          HG12      VAL 109  11.775   2.249   2.954
  831   HG13  VAL 109          HG13      VAL 109  10.353   1.288   3.354
  832   HG21  VAL 109          HG21      VAL 109  10.018   0.446   5.649
  833   HG22  VAL 109          HG22      VAL 109  11.202   0.799   6.909
  834   HG23  VAL 109          HG23      VAL 109  11.596  -0.339   5.621
  835    H    ASP 110           HN       ASP 110  14.473   1.633   3.189
  836    HA   ASP 110           HA       ASP 110  14.497   4.492   2.559
  837    HB2  ASP 110           HB2      ASP 110  16.588   3.802   3.879
  838    HB3  ASP 110           HB1      ASP 110  17.049   2.884   2.442
  839    H    PHE 111           HN       PHE 111  13.273   4.250   0.753
  840    HA   PHE 111           HA       PHE 111  13.602   2.104  -1.081
  841    HB2  PHE 111           HB2      PHE 111  12.139   4.729  -1.304
  842    HB3  PHE 111           HB1      PHE 111  12.106   3.499  -2.560
  843    HD1  PHE 111           HD1      PHE 111  11.126   1.258  -2.052
  844    HD2  PHE 111           HD2      PHE 111  10.781   4.552   0.622
  845    HE1  PHE 111           HE1      PHE 111   9.273   0.127  -0.902
  846    HE2  PHE 111           HE2      PHE 111   8.930   3.424   1.779
  847    HZ   PHE 111           HZ       PHE 111   8.170   1.207   1.019
  848    H    GLY 112           HN       GLY 112  15.303   5.048  -0.668
  849    HA2  GLY 112           HA2      GLY 112  16.218   5.280  -3.381
  850    HA3  GLY 112           HA1      GLY 112  16.907   6.086  -1.977
  851    H    SER 113           HN       SER 113  17.320   3.670  -0.477
  852    HA   SER 113           HA       SER 113  19.766   2.760  -1.736
  853    HB2  SER 113           HB2      SER 113  18.590   1.965   0.938
  854    HB3  SER 113           HB1      SER 113  20.254   1.730   0.404
  855    HG   SER 113           HG       SER 113  18.951   4.231   0.818
  856    H    ARG 114           HN       ARG 114  16.547   1.827  -1.569
  857    HA   ARG 114           HA       ARG 114  15.366   0.043  -2.309
  858    HB2  ARG 114           HB2      ARG 114  17.991  -0.793  -3.562
  859    HB3  ARG 114           HB1      ARG 114  16.405  -1.452  -3.962
  860    HG2  ARG 114           HG2      ARG 114  15.684   0.657  -4.843
  861    HG3  ARG 114           HG1      ARG 114  17.157   1.446  -4.284
  862    HD2  ARG 114           HD2      ARG 114  17.390   1.060  -6.621
  863    HD3  ARG 114           HD1      ARG 114  18.444  -0.080  -5.788
  864    HE   ARG 114           HE       ARG 114  16.260  -1.568  -6.132
  865   HH11  ARG 114          HH11      ARG 114  17.968   0.538  -8.359
  866   HH12  ARG 114          HH12      ARG 114  17.505  -0.380  -9.765
  867   HH21  ARG 114          HH21      ARG 114  15.682  -2.788  -7.973
  868   HH22  ARG 114          HH22      ARG 114  16.204  -2.267  -9.549
  869    H    THR 115           HN       THR 115  16.713   0.011   0.239
  870    HA   THR 115           HA       THR 115  16.469  -2.823   0.846
  871    HB   THR 115           HB       THR 115  18.554  -2.543   2.367
  872    HG1  THR 115           HG1      THR 115  19.370  -0.739   0.347
  873   HG21  THR 115          HG21      THR 115  20.061  -3.308   0.582
  874   HG22  THR 115          HG22      THR 115  18.883  -2.788  -0.623
  875   HG23  THR 115          HG23      THR 115  18.486  -4.098   0.488
  876    H    GLN 116           HN       GLN 116  16.735  -3.003   3.411
  877    HA   GLN 116           HA       GLN 116  15.816  -0.592   4.749
  878    HB2  GLN 116           HB2      GLN 116  13.823  -1.589   5.665
  879    HB3  GLN 116           HB1      GLN 116  13.761  -1.756   3.918
  880    HG2  GLN 116           HG2      GLN 116  14.502  -4.081   4.119
  881    HG3  GLN 116           HG1      GLN 116  14.531  -3.908   5.874
  882   HE21  GLN 116          HE21      GLN 116  12.982  -5.461   6.247
  883   HE22  GLN 116          HE22      GLN 116  11.320  -5.246   5.826
  884    H    ALA 117           HN       ALA 117  15.979  -0.719   7.055
  885    HA   ALA 117           HA       ALA 117  18.134  -2.499   7.857
  886    HB1  ALA 117           HB1      ALA 117  18.309  -1.099   9.828
  887    HB2  ALA 117           HB2      ALA 117  16.819  -0.265   9.396
  888    HB3  ALA 117           HB3      ALA 117  18.249  -0.095   8.379
  889    H    ASP 118           HN       ASP 118  14.812  -2.550   7.921
  890    HA   ASP 118           HA       ASP 118  14.604  -3.965  10.467
  891    HB2  ASP 118           HB2      ASP 118  12.922  -2.173   9.574
  892    HB3  ASP 118           HB1      ASP 118  12.311  -3.495   8.580
  893    H    ALA 119           HN       ALA 119  13.551  -6.036  10.573
  894    HA   ALA 119           HA       ALA 119  14.381  -7.851   8.523
  895    HB1  ALA 119           HB1      ALA 119  12.616  -8.328  10.926
  896    HB2  ALA 119           HB2      ALA 119  14.371  -8.491  10.893
  897    HB3  ALA 119           HB3      ALA 119  13.366  -9.572   9.927
  898    H    LEU 120           HN       LEU 120  11.365  -6.334   9.510
  899    HA   LEU 120           HA       LEU 120  10.139  -6.774   6.997
  900    HB2  LEU 120           HB2      LEU 120   9.900  -9.053   7.907
  901    HB3  LEU 120           HB1      LEU 120   9.089  -8.403   9.312
  902    HG   LEU 120           HG       LEU 120   7.251  -7.611   7.860
  903   HD11  LEU 120          HD11      LEU 120   8.787  -9.053   5.714
  904   HD12  LEU 120          HD12      LEU 120   8.412  -7.332   5.781
  905   HD13  LEU 120          HD13      LEU 120   7.117  -8.507   5.567
  906   HD21  LEU 120          HD21      LEU 120   7.886 -10.546   7.653
  907   HD22  LEU 120          HD22      LEU 120   6.299  -9.816   7.419
  908   HD23  LEU 120          HD23      LEU 120   7.077  -9.744   8.998
  909    H    VAL 121           HN       VAL 121   8.816  -5.055   6.737
  910    HA   VAL 121           HA       VAL 121   7.814  -3.805   9.193
  911    HB   VAL 121           HB       VAL 121   9.245  -2.275   8.081
  912   HG11  VAL 121          HG11      VAL 121   9.307  -3.257   5.876
  913   HG12  VAL 121          HG12      VAL 121   8.922  -1.539   5.771
  914   HG13  VAL 121          HG13      VAL 121   7.647  -2.742   5.576
  915   HG21  VAL 121          HG21      VAL 121   7.742  -0.406   7.577
  916   HG22  VAL 121          HG22      VAL 121   7.243  -1.284   9.022
  917   HG23  VAL 121          HG23      VAL 121   6.382  -1.528   7.503
  918    H    LEU 122           HN       LEU 122   5.939  -4.718   9.545
  919    HA   LEU 122           HA       LEU 122   3.900  -4.734   7.447
  920    HB2  LEU 122           HB2      LEU 122   3.769  -5.848  10.253
  921    HB3  LEU 122           HB1      LEU 122   2.591  -6.101   8.982
  922    HG   LEU 122           HG       LEU 122   5.429  -7.147   8.999
  923   HD11  LEU 122          HD11      LEU 122   4.367  -9.342   9.200
  924   HD12  LEU 122          HD12      LEU 122   2.788  -8.566   9.322
  925   HD13  LEU 122          HD13      LEU 122   3.997  -8.311  10.581
  926   HD21  LEU 122          HD21      LEU 122   4.754  -8.391   6.996
  927   HD22  LEU 122          HD22      LEU 122   4.720  -6.648   6.738
  928   HD23  LEU 122          HD23      LEU 122   3.213  -7.531   6.990
  929    H    LEU 123           HN       LEU 123   2.130  -3.417   7.538
  930    HA   LEU 123           HA       LEU 123   1.995  -1.549   9.798
  931    HB2  LEU 123           HB2      LEU 123   1.683  -0.819   6.885
  932    HB3  LEU 123           HB1      LEU 123   1.452   0.270   8.239
  933    HG   LEU 123           HG       LEU 123   4.053  -0.986   7.374
  934   HD11  LEU 123          HD11      LEU 123   4.712   1.302   6.873
  935   HD12  LEU 123          HD12      LEU 123   3.119   1.879   7.365
  936   HD13  LEU 123          HD13      LEU 123   3.282   0.843   5.947
  937   HD21  LEU 123          HD21      LEU 123   5.083   0.417   9.110
  938   HD22  LEU 123          HD22      LEU 123   4.015  -0.807   9.791
  939   HD23  LEU 123          HD23      LEU 123   3.476   0.869   9.682
  940    H    GLY 124           HN       GLY 124   0.211  -2.234  10.766
  941    HA2  GLY 124           HA2      GLY 124  -2.169  -2.783   9.127
  942    HA3  GLY 124           HA1      GLY 124  -1.907  -3.366  10.762
  943    H    GLY 125           HN       GLY 125  -4.251  -2.052   9.862
  944    HA2  GLY 125           HA2      GLY 125  -5.735  -0.574  10.810
  945    HA3  GLY 125           HA1      GLY 125  -4.511  -0.217  12.017
  946    H    LEU 126           HN       LEU 126  -4.051   0.235   8.556
  947    HA   LEU 126           HA       LEU 126  -3.419   2.998   9.030
  948    HB2  LEU 126           HB2      LEU 126  -3.266   1.166   6.694
  949    HB3  LEU 126           HB1      LEU 126  -3.348   2.891   6.375
  950    HG   LEU 126           HG       LEU 126  -1.328   3.249   7.714
  951   HD11  LEU 126          HD11      LEU 126  -1.673   1.331   9.256
  952   HD12  LEU 126          HD12      LEU 126  -0.042   1.443   8.601
  953   HD13  LEU 126          HD13      LEU 126  -1.171   0.252   7.953
  954   HD21  LEU 126          HD21      LEU 126  -1.027   1.108   5.613
  955   HD22  LEU 126          HD22      LEU 126   0.253   2.173   6.195
  956   HD23  LEU 126          HD23      LEU 126  -1.124   2.846   5.323
  957    H    ASP 127           HN       ASP 127  -4.422   4.777   8.203
  958    HA   ASP 127           HA       ASP 127  -7.254   4.427   7.453
  959    HB2  ASP 127           HB2      ASP 127  -5.891   6.737   8.886
  960    HB3  ASP 127           HB1      ASP 127  -7.571   6.747   8.357
  961    H    PHE 128           HN       PHE 128  -8.003   6.527   6.214
  962    HA   PHE 128           HA       PHE 128  -5.969   7.084   4.163
  963    HB2  PHE 128           HB2      PHE 128  -8.988   7.074   3.981
  964    HB3  PHE 128           HB1      PHE 128  -7.944   7.705   2.711
  965    HD1  PHE 128           HD1      PHE 128  -6.522   6.202   1.414
  966    HD2  PHE 128           HD2      PHE 128  -9.209   4.712   4.358
  967    HE1  PHE 128           HE1      PHE 128  -6.314   3.952   0.454
  968    HE2  PHE 128           HE2      PHE 128  -9.000   2.452   3.407
  969    HZ   PHE 128           HZ       PHE 128  -7.511   2.051   1.498
  970    H    GLU 129           HN       GLU 129  -6.095   8.378   6.657
  971    HA   GLU 129           HA       GLU 129  -7.441  10.869   6.500
  972    HB2  GLU 129           HB2      GLU 129  -6.854   9.869   8.646
  973    HB3  GLU 129           HB1      GLU 129  -5.144   9.971   8.249
  974    HG2  GLU 129           HG2      GLU 129  -5.233  12.374   8.292
  975    HG3  GLU 129           HG1      GLU 129  -6.977  12.335   8.548
  976    H    ALA 130           HN       ALA 130  -6.967  12.265   4.981
  977    HA   ALA 130           HA       ALA 130  -4.296  13.334   4.776
  978    HB1  ALA 130           HB1      ALA 130  -4.211  11.496   3.176
  979    HB2  ALA 130           HB2      ALA 130  -4.156  13.053   2.350
  980    HB3  ALA 130           HB3      ALA 130  -5.652  12.120   2.372
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -15.874 -15.594  10.201
    2    H2   GLY   1           HT2      GLY   1 -16.566 -14.902  11.577
    3    H3   GLY   1           HT3      GLY   1 -14.899 -14.790  11.322
    4    HA2  GLY   1           HA1      GLY   1 -15.936 -12.694  10.807
    5    HA3  GLY   1           HA2      GLY   1 -15.256 -13.429   9.363
    6    H    ALA   2           HN       ALA   2 -18.252 -12.934  11.166
    7    HA   ALA   2           HA       ALA   2 -19.961 -13.975   9.135
    8    HB1  ALA   2           HB1      ALA   2 -20.631 -13.892  11.488
    9    HB2  ALA   2           HB2      ALA   2 -21.778 -13.026  10.464
   10    HB3  ALA   2           HB3      ALA   2 -20.608 -12.130  11.434
   11    H    MET   3           HN       MET   3 -18.498 -10.898   9.738
   12    HA   MET   3           HA       MET   3 -20.266  -9.347   8.102
   13    HB2  MET   3           HB2      MET   3 -18.860  -8.392   9.941
   14    HB3  MET   3           HB1      MET   3 -17.427  -8.741   8.985
   15    HG2  MET   3           HG2      MET   3 -18.261  -7.220   7.230
   16    HG3  MET   3           HG1      MET   3 -19.636  -6.830   8.260
   17    HE1  MET   3           HE1      MET   3 -19.441  -5.529  10.567
   18    HE2  MET   3           HE2      MET   3 -17.905  -5.040  11.285
   19    HE3  MET   3           HE3      MET   3 -18.309  -6.751  11.149
   20    H    GLY   4           HN       GLY   4 -18.004 -11.674   7.389
   21    HA2  GLY   4           HA2      GLY   4 -16.908 -10.443   5.007
   22    HA3  GLY   4           HA1      GLY   4 -16.581 -12.066   5.590
   23    H    MET   5           HN       MET   5 -19.856 -11.770   5.646
   24    HA   MET   5           HA       MET   5 -20.126 -13.452   3.352
   25    HB2  MET   5           HB2      MET   5 -22.532 -13.478   3.863
   26    HB3  MET   5           HB1      MET   5 -21.549 -13.853   5.265
   27    HG2  MET   5           HG2      MET   5 -23.259 -12.472   6.054
   28    HG3  MET   5           HG1      MET   5 -21.841 -11.435   5.951
   29    HE1  MET   5           HE1      MET   5 -24.072 -12.630   2.902
   30    HE2  MET   5           HE2      MET   5 -25.283 -11.349   2.863
   31    HE3  MET   5           HE3      MET   5 -25.225 -12.465   4.227
   32    H    SER   6           HN       SER   6 -20.110 -10.105   3.770
   33    HA   SER   6           HA       SER   6 -21.461  -9.664   1.202
   34    HB2  SER   6           HB2      SER   6 -20.510  -7.602   3.202
   35    HB3  SER   6           HB1      SER   6 -21.569  -7.330   1.821
   36    HG   SER   6           HG       SER   6 -22.661  -9.248   3.280
   37    HA   PRO   7           HA       PRO   7 -17.050  -9.409   0.093
   38    HB2  PRO   7           HB2      PRO   7 -17.118 -10.834  -2.154
   39    HB3  PRO   7           HB1      PRO   7 -17.260 -11.614  -0.577
   40    HG2  PRO   7           HG2      PRO   7 -19.364 -11.031  -2.599
   41    HG3  PRO   7           HG1      PRO   7 -19.221 -12.404  -1.489
   42    HD2  PRO   7           HD2      PRO   7 -20.814 -10.098  -1.129
   43    HD3  PRO   7           HD1      PRO   7 -20.457 -11.335   0.090
   44    H    ASP   8           HN       ASP   8 -19.618  -7.772  -1.056
   45    HA   ASP   8           HA       ASP   8 -18.776  -7.041  -3.679
   46    HB2  ASP   8           HB2      ASP   8 -20.706  -5.698  -1.780
   47    HB3  ASP   8           HB1      ASP   8 -20.421  -5.158  -3.429
   48    H    THR   9           HN       THR   9 -18.438  -5.514  -0.506
   49    HA   THR   9           HA       THR   9 -17.170  -3.161  -1.333
   50    HB   THR   9           HB       THR   9 -16.762  -4.663   1.259
   51    HG1  THR   9           HG1      THR   9 -18.444  -2.845   1.780
   52   HG21  THR   9          HG21      THR   9 -15.130  -2.886   0.926
   53   HG22  THR   9          HG22      THR   9 -16.281  -2.434   2.185
   54   HG23  THR   9          HG23      THR   9 -16.424  -1.744   0.568
   55    H    ALA  10           HN       ALA  10 -15.813  -6.250  -0.244
   56    HA   ALA  10           HA       ALA  10 -13.106  -5.512  -0.472
   57    HB1  ALA  10           HB1      ALA  10 -14.333  -8.260  -0.582
   58    HB2  ALA  10           HB2      ALA  10 -13.828  -7.405   0.875
   59    HB3  ALA  10           HB3      ALA  10 -12.627  -7.901  -0.317
   60    H    ARG  11           HN       ARG  11 -15.375  -6.961  -2.730
   61    HA   ARG  11           HA       ARG  11 -13.534  -7.691  -4.730
   62    HB2  ARG  11           HB2      ARG  11 -15.831  -8.531  -4.684
   63    HB3  ARG  11           HB1      ARG  11 -16.444  -6.911  -4.986
   64    HG2  ARG  11           HG2      ARG  11 -15.193  -6.950  -7.163
   65    HG3  ARG  11           HG1      ARG  11 -14.868  -8.658  -6.859
   66    HD2  ARG  11           HD2      ARG  11 -16.818  -8.408  -8.291
   67    HD3  ARG  11           HD1      ARG  11 -17.282  -9.081  -6.728
   68    HE   ARG  11           HE       ARG  11 -17.607  -6.222  -7.380
   69   HH11  ARG  11          HH11      ARG  11 -18.917  -9.245  -6.170
   70   HH12  ARG  11          HH12      ARG  11 -20.375  -8.507  -5.581
   71   HH21  ARG  11          HH21      ARG  11 -19.533  -5.276  -6.594
   72   HH22  ARG  11          HH22      ARG  11 -20.721  -6.279  -5.808
   73    H    ARG  12           HN       ARG  12 -15.385  -4.720  -4.182
   74    HA   ARG  12           HA       ARG  12 -14.570  -3.439  -6.561
   75    HB2  ARG  12           HB2      ARG  12 -16.543  -2.712  -5.297
   76    HB3  ARG  12           HB1      ARG  12 -15.510  -2.208  -3.966
   77    HG2  ARG  12           HG2      ARG  12 -14.438  -0.558  -5.425
   78    HG3  ARG  12           HG1      ARG  12 -15.500  -1.047  -6.746
   79    HD2  ARG  12           HD2      ARG  12 -17.433  -0.277  -5.551
   80    HD3  ARG  12           HD1      ARG  12 -16.472   0.035  -4.107
   81    HE   ARG  12           HE       ARG  12 -15.297   1.573  -6.032
   82   HH11  ARG  12          HH11      ARG  12 -18.586   1.288  -4.850
   83   HH12  ARG  12          HH12      ARG  12 -18.957   2.961  -5.129
   84   HH21  ARG  12          HH21      ARG  12 -15.778   3.738  -6.403
   85   HH22  ARG  12          HH22      ARG  12 -17.355   4.362  -6.013
   86    H    PHE  13           HN       PHE  13 -13.220  -3.493  -3.290
   87    HA   PHE  13           HA       PHE  13 -11.264  -1.503  -3.753
   88    HB2  PHE  13           HB2      PHE  13 -11.946  -2.406  -1.484
   89    HB3  PHE  13           HB1      PHE  13 -10.998  -3.838  -1.847
   90    HD1  PHE  13           HD1      PHE  13 -10.824  -0.216  -1.202
   91    HD2  PHE  13           HD2      PHE  13  -8.626  -3.826  -1.689
   92    HE1  PHE  13           HE1      PHE  13  -8.809   0.901  -0.348
   93    HE2  PHE  13           HE2      PHE  13  -6.605  -2.717  -0.833
   94    HZ   PHE  13           HZ       PHE  13  -6.693  -0.349  -0.162
   95    H    ASP  14           HN       ASP  14 -11.222  -5.010  -4.032
   96    HA   ASP  14           HA       ASP  14  -8.590  -5.428  -4.785
   97    HB2  ASP  14           HB2      ASP  14  -9.911  -7.309  -4.240
   98    HB3  ASP  14           HB1      ASP  14 -11.150  -6.884  -5.412
   99    H    THR  15           HN       THR  15 -11.336  -4.444  -6.783
  100    HA   THR  15           HA       THR  15  -9.697  -4.749  -9.179
  101    HB   THR  15           HB       THR  15 -11.950  -4.212 -10.315
  102    HG1  THR  15           HG1      THR  15 -12.951  -5.091  -7.796
  103   HG21  THR  15          HG21      THR  15 -10.915  -6.426 -10.310
  104   HG22  THR  15          HG22      THR  15 -12.662  -6.550 -10.101
  105   HG23  THR  15          HG23      THR  15 -11.592  -6.747  -8.714
  106    H    GLU  16           HN       GLU  16 -11.470  -2.230  -7.421
  107    HA   GLU  16           HA       GLU  16 -10.888  -0.345  -9.570
  108    HB2  GLU  16           HB2      GLU  16 -13.174  -0.450  -8.686
  109    HB3  GLU  16           HB1      GLU  16 -12.579  -0.020  -7.088
  110    HG2  GLU  16           HG2      GLU  16 -11.858   2.144  -7.916
  111    HG3  GLU  16           HG1      GLU  16 -12.398   1.718  -9.541
  112    H    PHE  17           HN       PHE  17 -10.186  -0.742  -6.099
  113    HA   PHE  17           HA       PHE  17  -8.854   1.858  -6.136
  114    HB2  PHE  17           HB2      PHE  17  -9.681   0.058  -3.863
  115    HB3  PHE  17           HB1      PHE  17  -8.707   1.503  -3.629
  116    HD1  PHE  17           HD1      PHE  17  -9.681   3.738  -4.099
  117    HD2  PHE  17           HD2      PHE  17 -12.021   0.183  -4.272
  118    HE1  PHE  17           HE1      PHE  17 -11.729   5.088  -4.002
  119    HE2  PHE  17           HE2      PHE  17 -14.075   1.533  -4.171
  120    HZ   PHE  17           HZ       PHE  17 -13.918   4.004  -4.009
  121    H    ALA  18           HN       ALA  18  -8.088  -1.505  -5.226
  122    HA   ALA  18           HA       ALA  18  -5.525  -1.018  -4.282
  123    HB1  ALA  18           HB1      ALA  18  -6.762  -3.121  -3.954
  124    HB2  ALA  18           HB2      ALA  18  -5.102  -3.369  -4.493
  125    HB3  ALA  18           HB3      ALA  18  -6.434  -3.548  -5.632
  126    HA   PRO  19           HA       PRO  19  -3.753  -1.944  -8.748
  127    HB2  PRO  19           HB2      PRO  19  -6.038  -0.969 -10.388
  128    HB3  PRO  19           HB1      PRO  19  -4.936  -2.324 -10.683
  129    HG2  PRO  19           HG2      PRO  19  -7.416  -2.789  -9.897
  130    HG3  PRO  19           HG1      PRO  19  -6.073  -3.730  -9.213
  131    HD2  PRO  19           HD2      PRO  19  -7.555  -1.406  -8.019
  132    HD3  PRO  19           HD1      PRO  19  -7.077  -2.939  -7.264
  133    H    ARG  20           HN       ARG  20  -5.897   0.701  -7.931
  134    HA   ARG  20           HA       ARG  20  -4.532   2.689  -9.478
  135    HB2  ARG  20           HB2      ARG  20  -6.451   2.887  -7.156
  136    HB3  ARG  20           HB1      ARG  20  -5.741   4.299  -7.922
  137    HG2  ARG  20           HG2      ARG  20  -7.398   2.255  -9.380
  138    HG3  ARG  20           HG1      ARG  20  -8.044   3.738  -8.678
  139    HD2  ARG  20           HD2      ARG  20  -7.686   4.252 -10.934
  140    HD3  ARG  20           HD1      ARG  20  -6.316   4.964 -10.089
  141    HE   ARG  20           HE       ARG  20  -5.898   2.301 -11.164
  142   HH11  ARG  20          HH11      ARG  20  -5.550   5.751 -11.639
  143   HH12  ARG  20          HH12      ARG  20  -4.336   5.589 -12.866
  144   HH21  ARG  20          HH21      ARG  20  -4.304   2.072 -12.778
  145   HH22  ARG  20          HH22      ARG  20  -3.634   3.489 -13.528
  146    H    ILE  21           HN       ILE  21  -4.392   1.522  -6.166
  147    HA   ILE  21           HA       ILE  21  -2.559   3.439  -5.186
  148    HB   ILE  21           HB       ILE  21  -2.947   0.602  -4.208
  149   HG12  ILE  21          HG12      ILE  21  -4.333   3.132  -3.286
  150   HG13  ILE  21          HG11      ILE  21  -5.070   1.918  -4.327
  151   HG21  ILE  21          HG21      ILE  21  -1.918   3.054  -2.777
  152   HG22  ILE  21          HG22      ILE  21  -0.929   1.710  -3.351
  153   HG23  ILE  21          HG23      ILE  21  -2.117   1.449  -2.076
  154   HD11  ILE  21          HD11      ILE  21  -4.800   0.261  -2.512
  155   HD12  ILE  21          HD12      ILE  21  -5.832   1.618  -2.068
  156   HD13  ILE  21          HD13      ILE  21  -4.173   1.542  -1.475
  157    H    ALA  22           HN       ALA  22  -2.168   0.196  -6.545
  158    HA   ALA  22           HA       ALA  22   0.618   0.005  -6.256
  159    HB1  ALA  22           HB1      ALA  22  -1.101  -1.264  -8.384
  160    HB2  ALA  22           HB2      ALA  22  -0.862  -1.906  -6.758
  161    HB3  ALA  22           HB3      ALA  22   0.501  -1.794  -7.873
  162    H    ARG  23           HN       ARG  23  -1.389   1.400  -8.774
  163    HA   ARG  23           HA       ARG  23   0.649   1.902 -10.658
  164    HB2  ARG  23           HB2      ARG  23  -1.692   1.982 -11.289
  165    HB3  ARG  23           HB1      ARG  23  -1.990   3.294 -10.162
  166    HG2  ARG  23           HG2      ARG  23  -1.901   4.151 -12.405
  167    HG3  ARG  23           HG1      ARG  23  -0.511   4.742 -11.493
  168    HD2  ARG  23           HD2      ARG  23   0.175   4.074 -13.717
  169    HD3  ARG  23           HD1      ARG  23   0.881   2.994 -12.517
  170    HE   ARG  23           HE       ARG  23  -1.475   1.804 -13.350
  171   HH11  ARG  23          HH11      ARG  23   1.561   2.791 -14.780
  172   HH12  ARG  23          HH12      ARG  23   1.526   1.570 -16.011
  173   HH21  ARG  23          HH21      ARG  23  -1.530   0.193 -14.981
  174   HH22  ARG  23          HH22      ARG  23  -0.228   0.094 -16.124
  175    H    ALA  24           HN       ALA  24  -0.778   3.929  -8.121
  176    HA   ALA  24           HA       ALA  24   0.664   6.264  -8.699
  177    HB1  ALA  24           HB1      ALA  24  -0.043   7.036  -6.508
  178    HB2  ALA  24           HB2      ALA  24  -0.493   5.391  -6.058
  179    HB3  ALA  24           HB3      ALA  24  -1.372   6.226  -7.339
  180    H    ILE  25           HN       ILE  25   1.304   3.630  -6.432
  181    HA   ILE  25           HA       ILE  25   3.619   4.754  -5.280
  182    HB   ILE  25           HB       ILE  25   2.809   1.848  -5.494
  183   HG12  ILE  25          HG12      ILE  25   2.467   3.850  -3.242
  184   HG13  ILE  25          HG11      ILE  25   1.183   3.280  -4.302
  185   HG21  ILE  25          HG21      ILE  25   4.886   3.176  -3.754
  186   HG22  ILE  25          HG22      ILE  25   5.181   2.019  -5.052
  187   HG23  ILE  25          HG23      ILE  25   4.342   1.507  -3.586
  188   HD11  ILE  25          HD11      ILE  25   1.157   2.177  -2.120
  189   HD12  ILE  25          HD12      ILE  25   2.777   1.553  -2.425
  190   HD13  ILE  25          HD13      ILE  25   1.429   1.035  -3.435
  191    H    ALA  26           HN       ALA  26   3.213   2.374  -7.894
  192    HA   ALA  26           HA       ALA  26   5.931   1.889  -8.369
  193    HB1  ALA  26           HB1      ALA  26   5.222   1.047 -10.561
  194    HB2  ALA  26           HB2      ALA  26   3.631   1.770 -10.318
  195    HB3  ALA  26           HB3      ALA  26   4.175   0.462  -9.267
  196    H    ASP  27           HN       ASP  27   3.768   4.360  -9.555
  197    HA   ASP  27           HA       ASP  27   5.546   5.515 -11.448
  198    HB2  ASP  27           HB2      ASP  27   3.175   5.902 -11.646
  199    HB3  ASP  27           HB1      ASP  27   3.098   6.583 -10.028
  200    H    LEU  28           HN       LEU  28   4.839   6.099  -8.055
  201    HA   LEU  28           HA       LEU  28   6.299   8.518  -7.818
  202    HB2  LEU  28           HB2      LEU  28   4.519   7.916  -6.257
  203    HB3  LEU  28           HB1      LEU  28   5.426   6.511  -5.737
  204    HG   LEU  28           HG       LEU  28   7.173   8.022  -4.816
  205   HD11  LEU  28          HD11      LEU  28   6.836   9.970  -6.187
  206   HD12  LEU  28          HD12      LEU  28   6.580  10.400  -4.498
  207   HD13  LEU  28          HD13      LEU  28   5.198  10.168  -5.567
  208   HD21  LEU  28          HD21      LEU  28   4.379   8.491  -3.773
  209   HD22  LEU  28          HD22      LEU  28   5.874   8.716  -2.868
  210   HD23  LEU  28          HD23      LEU  28   5.398   7.102  -3.397
  211    H    LEU  29           HN       LEU  29   7.100   5.125  -7.426
  212    HA   LEU  29           HA       LEU  29   9.774   5.780  -6.461
  213    HB2  LEU  29           HB2      LEU  29   8.537   3.082  -7.028
  214    HB3  LEU  29           HB1      LEU  29  10.047   3.373  -6.184
  215    HG   LEU  29           HG       LEU  29   7.303   4.158  -5.207
  216   HD11  LEU  29          HD11      LEU  29   9.188   2.003  -4.267
  217   HD12  LEU  29          HD12      LEU  29   7.685   1.749  -5.154
  218   HD13  LEU  29          HD13      LEU  29   7.644   2.427  -3.526
  219   HD21  LEU  29          HD21      LEU  29  10.023   4.446  -3.941
  220   HD22  LEU  29          HD22      LEU  29   8.497   4.651  -3.084
  221   HD23  LEU  29          HD23      LEU  29   8.920   5.743  -4.402
  222    H    ASN  30           HN       ASN  30   8.347   5.793  -9.341
  223    HA   ASN  30           HA       ASN  30   8.961   5.618 -11.508
  224    HB2  ASN  30           HB2      ASN  30  11.695   6.050 -10.287
  225    HB3  ASN  30           HB1      ASN  30  11.356   6.147 -12.010
  226   HD21  ASN  30          HD21      ASN  30  10.237   7.910 -12.815
  227   HD22  ASN  30          HD22      ASN  30   9.945   9.330 -11.873
  228    H    HIS  31           HN       HIS  31   8.651   3.183 -10.117
  229    HA   HIS  31           HA       HIS  31   8.879   0.955 -10.415
  230    HB2  HIS  31           HB2      HIS  31  10.036   1.854 -13.050
  231    HB3  HIS  31           HB1      HIS  31   9.717   0.168 -12.655
  232    HD1  HIS  31           HD1      HIS  31   7.213  -0.542 -12.440
  233    HD2  HIS  31           HD2      HIS  31   7.810   3.365 -13.725
  234    HE1  HIS  31           HE1      HIS  31   4.994   0.222 -13.348
  235    HE2  HIS  31           HE2      HIS  31   5.435   2.522 -14.274
  236    H    ARG  32           HN       ARG  32  11.131   2.438  -9.129
  237    HA   ARG  32           HA       ARG  32  13.424   0.785  -9.707
  238    HB2  ARG  32           HB2      ARG  32  12.837   2.676  -7.418
  239    HB3  ARG  32           HB1      ARG  32  14.370   1.845  -7.637
  240    HG2  ARG  32           HG2      ARG  32  14.765   3.011  -9.702
  241    HG3  ARG  32           HG1      ARG  32  13.167   3.755  -9.629
  242    HD2  ARG  32           HD2      ARG  32  13.810   4.894  -7.556
  243    HD3  ARG  32           HD1      ARG  32  15.411   4.171  -7.662
  244    HE   ARG  32           HE       ARG  32  15.720   5.449  -9.735
  245   HH11  ARG  32          HH11      ARG  32  13.203   6.473  -7.519
  246   HH12  ARG  32          HH12      ARG  32  13.204   8.115  -8.075
  247   HH21  ARG  32          HH21      ARG  32  15.736   7.618 -10.457
  248   HH22  ARG  32          HH22      ARG  32  14.638   8.765  -9.756
  249    H    ALA  33           HN       ALA  33  10.716   0.787  -7.561
  250    HA   ALA  33           HA       ALA  33  11.564  -1.820  -6.493
  251    HB1  ALA  33           HB1      ALA  33   9.662   0.174  -5.257
  252    HB2  ALA  33           HB2      ALA  33  11.327  -0.107  -4.747
  253    HB3  ALA  33           HB3      ALA  33  10.124  -1.384  -4.571
  254    H    HIS  34           HN       HIS  34   9.726  -3.335  -6.133
  255    HA   HIS  34           HA       HIS  34   7.873  -3.096  -8.405
  256    HB2  HIS  34           HB2      HIS  34   9.451  -5.013  -8.481
  257    HB3  HIS  34           HB1      HIS  34   8.822  -5.579  -6.936
  258    HD1  HIS  34           HD1      HIS  34   7.798  -5.160 -10.541
  259    HD2  HIS  34           HD2      HIS  34   6.522  -7.097  -7.090
  260    HE1  HIS  34           HE1      HIS  34   5.928  -6.676 -11.268
  261    HE2  HIS  34           HE2      HIS  34   5.283  -7.951  -9.193
  262    H    THR  35           HN       THR  35   5.714  -3.169  -8.081
  263    HA   THR  35           HA       THR  35   4.814  -3.533  -5.305
  264    HB   THR  35           HB       THR  35   2.815  -2.188  -5.980
  265    HG1  THR  35           HG1      THR  35   3.286  -0.839  -7.940
  266   HG21  THR  35          HG21      THR  35   3.958  -0.042  -5.857
  267   HG22  THR  35          HG22      THR  35   5.475  -0.804  -6.335
  268   HG23  THR  35          HG23      THR  35   4.738  -1.207  -4.786
  269    H    ASP  36           HN       ASP  36   2.931  -4.757  -4.920
  270    HA   ASP  36           HA       ASP  36   1.855  -6.294  -7.147
  271    HB2  ASP  36           HB2      ASP  36   3.855  -7.552  -6.381
  272    HB3  ASP  36           HB1      ASP  36   3.169  -7.622  -4.763
  273    H    VAL  37           HN       VAL  37  -0.264  -6.305  -6.924
  274    HA   VAL  37           HA       VAL  37  -1.453  -5.685  -4.359
  275    HB   VAL  37           HB       VAL  37  -2.696  -6.092  -7.083
  276   HG11  VAL  37          HG11      VAL  37  -4.761  -5.204  -6.095
  277   HG12  VAL  37          HG12      VAL  37  -3.996  -5.212  -4.505
  278   HG13  VAL  37          HG13      VAL  37  -4.284  -6.731  -5.353
  279   HG21  VAL  37          HG21      VAL  37  -2.240  -3.597  -5.447
  280   HG22  VAL  37          HG22      VAL  37  -3.063  -3.673  -7.004
  281   HG23  VAL  37          HG23      VAL  37  -1.348  -4.068  -6.895
  282    H    VAL  38           HN       VAL  38  -1.558  -7.331  -2.990
  283    HA   VAL  38           HA       VAL  38  -2.310  -9.994  -3.702
  284    HB   VAL  38           HB       VAL  38  -2.466  -8.625  -1.006
  285   HG11  VAL  38          HG11      VAL  38  -2.490 -11.550  -1.726
  286   HG12  VAL  38          HG12      VAL  38  -3.839 -10.616  -1.077
  287   HG13  VAL  38          HG13      VAL  38  -2.406 -10.901  -0.089
  288   HG21  VAL  38          HG21      VAL  38  -0.201  -8.575  -1.871
  289   HG22  VAL  38          HG22      VAL  38  -0.271 -10.306  -2.206
  290   HG23  VAL  38          HG23      VAL  38  -0.322  -9.726  -0.541
  291    H    GLY  39           HN       GLY  39  -4.239 -10.300  -4.628
  292    HA2  GLY  39           HA2      GLY  39  -6.392  -8.442  -4.204
  293    HA3  GLY  39           HA1      GLY  39  -6.395  -9.816  -5.298
  294    H    TYR  40           HN       TYR  40  -8.664  -9.445  -4.124
  295    HA   TYR  40           HA       TYR  40  -8.832 -10.865  -1.595
  296    HB2  TYR  40           HB2      TYR  40 -10.270  -8.886  -2.042
  297    HB3  TYR  40           HB1      TYR  40 -11.029  -9.761  -3.369
  298    HD1  TYR  40           HD1      TYR  40 -10.420 -10.054   0.319
  299    HD2  TYR  40           HD2      TYR  40 -12.990 -10.933  -2.961
  300    HE1  TYR  40           HE1      TYR  40 -12.083 -10.986   1.873
  301    HE2  TYR  40           HE2      TYR  40 -14.657 -11.862  -1.411
  302    HH   TYR  40           HH       TYR  40 -14.780 -12.811   0.795
  303    H    GLY  41           HN       GLY  41  -8.754 -13.007  -1.613
  304    HA2  GLY  41           HA2      GLY  41 -10.300 -14.432  -3.682
  305    HA3  GLY  41           HA1      GLY  41  -8.670 -14.950  -3.250
  306    H    GLY  42           HN       GLY  42 -12.001 -14.831  -2.282
  307    HA2  GLY  42           HA2      GLY  42 -13.069 -16.355  -0.860
  308    HA3  GLY  42           HA1      GLY  42 -11.492 -16.897  -0.293
  309    H    HIS  43           HN       HIS  43 -13.795 -16.209   1.317
  310    HA   HIS  43           HA       HIS  43 -13.524 -13.605   2.399
  311    HB2  HIS  43           HB2      HIS  43 -14.688 -16.066   3.729
  312    HB3  HIS  43           HB1      HIS  43 -14.945 -14.396   4.224
  313    HD1  HIS  43           HD1      HIS  43 -15.532 -13.210   1.384
  314    HD2  HIS  43           HD2      HIS  43 -17.248 -16.672   2.939
  315    HE1  HIS  43           HE1      HIS  43 -17.681 -13.535   0.117
  316    HE2  HIS  43           HE2      HIS  43 -18.601 -15.726   0.945
  317    H    GLY  44           HN       GLY  44 -12.574 -12.921   4.336
  318    HA2  GLY  44           HA2      GLY  44 -11.144 -13.026   6.165
  319    HA3  GLY  44           HA1      GLY  44 -10.931 -14.742   5.865
  320    H    HIS  45           HN       HIS  45 -10.481 -12.598   3.214
  321    HA   HIS  45           HA       HIS  45  -7.559 -12.797   3.527
  322    HB2  HIS  45           HB2      HIS  45  -9.193 -13.242   1.020
  323    HB3  HIS  45           HB1      HIS  45  -7.450 -13.013   1.014
  324    HD1  HIS  45           HD1      HIS  45 -10.083 -15.455   2.182
  325    HD2  HIS  45           HD2      HIS  45  -5.969 -15.249   1.622
  326    HE1  HIS  45           HE1      HIS  45  -9.243 -17.804   2.475
  327    HE2  HIS  45           HE2      HIS  45  -6.758 -17.666   2.091
  328    HA   PRO  46           HA       PRO  46  -8.723  -8.373   3.167
  329    HB2  PRO  46           HB2      PRO  46  -6.465  -7.462   4.422
  330    HB3  PRO  46           HB1      PRO  46  -7.935  -7.963   5.275
  331    HG2  PRO  46           HG2      PRO  46  -5.401  -9.490   4.796
  332    HG3  PRO  46           HG1      PRO  46  -6.393  -9.398   6.264
  333    HD2  PRO  46           HD2      PRO  46  -6.504 -11.504   4.589
  334    HD3  PRO  46           HD1      PRO  46  -7.931 -10.928   5.473
  335    H    THR  47           HN       THR  47  -8.304  -7.200   1.422
  336    HA   THR  47           HA       THR  47  -6.187  -7.861  -0.374
  337    HB   THR  47           HB       THR  47  -7.971  -5.417  -0.436
  338    HG1  THR  47           HG1      THR  47  -8.460  -8.118  -1.009
  339   HG21  THR  47          HG21      THR  47  -7.631  -5.564  -2.877
  340   HG22  THR  47          HG22      THR  47  -6.550  -6.934  -2.638
  341   HG23  THR  47          HG23      THR  47  -6.101  -5.343  -2.025
  342    H    GLN  48           HN       GLN  48  -4.294  -6.736  -0.786
  343    HA   GLN  48           HA       GLN  48  -3.633  -4.375   0.741
  344    HB2  GLN  48           HB2      GLN  48  -1.732  -5.456   1.927
  345    HB3  GLN  48           HB1      GLN  48  -3.300  -6.045   2.458
  346    HG2  GLN  48           HG2      GLN  48  -2.968  -7.991   0.891
  347    HG3  GLN  48           HG1      GLN  48  -1.308  -7.435   0.689
  348   HE21  GLN  48          HE21      GLN  48  -3.604  -8.903   2.840
  349   HE22  GLN  48          HE22      GLN  48  -2.462  -9.402   4.043
  350    H    VAL  49           HN       VAL  49  -1.688  -3.392   0.044
  351    HA   VAL  49           HA       VAL  49  -0.580  -4.614  -2.390
  352    HB   VAL  49           HB       VAL  49  -1.738  -2.515  -2.879
  353   HG11  VAL  49          HG11      VAL  49   0.239  -1.244  -0.994
  354   HG12  VAL  49          HG12      VAL  49  -1.501  -1.390  -0.743
  355   HG13  VAL  49          HG13      VAL  49  -0.878  -0.376  -2.046
  356   HG21  VAL  49          HG21      VAL  49   0.082  -1.377  -4.060
  357   HG22  VAL  49          HG22      VAL  49   0.186  -3.130  -4.234
  358   HG23  VAL  49          HG23      VAL  49   1.260  -2.289  -3.116
  359    H    ARG  50           HN       ARG  50   1.362  -5.364  -2.193
  360    HA   ARG  50           HA       ARG  50   3.073  -4.378  -0.033
  361    HB2  ARG  50           HB2      ARG  50   4.372  -6.476  -0.432
  362    HB3  ARG  50           HB1      ARG  50   2.707  -6.745   0.062
  363    HG2  ARG  50           HG2      ARG  50   2.097  -7.147  -2.284
  364    HG3  ARG  50           HG1      ARG  50   3.788  -6.935  -2.736
  365    HD2  ARG  50           HD2      ARG  50   4.436  -8.848  -1.450
  366    HD3  ARG  50           HD1      ARG  50   2.813  -9.003  -0.777
  367    HE   ARG  50           HE       ARG  50   2.481  -9.176  -3.501
  368   HH11  ARG  50          HH11      ARG  50   4.345 -10.926  -1.107
  369   HH12  ARG  50          HH12      ARG  50   4.259 -12.431  -1.961
  370   HH21  ARG  50          HH21      ARG  50   2.360 -11.125  -4.617
  371   HH22  ARG  50          HH22      ARG  50   3.112 -12.551  -3.966
  372    H    ILE  51           HN       ILE  51   5.052  -3.560  -0.350
  373    HA   ILE  51           HA       ILE  51   5.939  -3.175  -3.128
  374    HB   ILE  51           HB       ILE  51   6.878  -1.615  -0.711
  375   HG12  ILE  51          HG12      ILE  51   4.780  -0.788  -2.732
  376   HG13  ILE  51          HG11      ILE  51   4.428  -1.305  -1.086
  377   HG21  ILE  51          HG21      ILE  51   8.369  -1.638  -2.663
  378   HG22  ILE  51          HG22      ILE  51   7.698  -0.034  -2.375
  379   HG23  ILE  51          HG23      ILE  51   7.050  -1.039  -3.670
  380   HD11  ILE  51          HD11      ILE  51   5.988   1.131  -1.916
  381   HD12  ILE  51          HD12      ILE  51   5.767   0.595  -0.252
  382   HD13  ILE  51          HD13      ILE  51   4.373   1.090  -1.210
  383    H    VAL  52           HN       VAL  52   7.457  -4.592  -3.660
  384    HA   VAL  52           HA       VAL  52   9.360  -5.474  -1.596
  385    HB   VAL  52           HB       VAL  52   8.538  -6.983  -4.091
  386   HG11  VAL  52          HG11      VAL  52  10.804  -7.503  -3.328
  387   HG12  VAL  52          HG12      VAL  52   9.716  -8.872  -3.108
  388   HG13  VAL  52          HG13      VAL  52  10.178  -7.883  -1.723
  389   HG21  VAL  52          HG21      VAL  52   7.707  -7.439  -1.228
  390   HG22  VAL  52          HG22      VAL  52   7.324  -8.490  -2.589
  391   HG23  VAL  52          HG23      VAL  52   6.676  -6.851  -2.533
  392    H    ALA  53           HN       ALA  53  11.509  -5.348  -2.030
  393    HA   ALA  53           HA       ALA  53  12.248  -3.960  -4.514
  394    HB1  ALA  53           HB1      ALA  53  12.826  -2.788  -2.446
  395    HB2  ALA  53           HB2      ALA  53  14.275  -3.265  -3.331
  396    HB3  ALA  53           HB3      ALA  53  13.767  -4.181  -1.913
  397    HA   PRO  54           HA       PRO  54  14.027  -8.049  -5.376
  398    HB2  PRO  54           HB2      PRO  54  13.896  -7.892  -8.059
  399    HB3  PRO  54           HB1      PRO  54  12.455  -8.212  -7.076
  400    HG2  PRO  54           HG2      PRO  54  13.351  -5.665  -8.356
  401    HG3  PRO  54           HG1      PRO  54  11.718  -6.337  -8.220
  402    HD2  PRO  54           HD2      PRO  54  12.747  -4.366  -6.579
  403    HD3  PRO  54           HD1      PRO  54  11.399  -5.435  -6.145
  404    H    HIS  55           HN       HIS  55  15.705  -6.003  -4.561
  405    HA   HIS  55           HA       HIS  55  17.970  -6.469  -6.324
  406    HB2  HIS  55           HB2      HIS  55  16.895  -4.244  -6.952
  407    HB3  HIS  55           HB1      HIS  55  17.369  -3.669  -5.359
  408    HD1  HIS  55           HD1      HIS  55  18.767  -4.598  -8.704
  409    HD2  HIS  55           HD2      HIS  55  20.097  -3.128  -5.051
  410    HE1  HIS  55           HE1      HIS  55  21.120  -3.806  -9.106
  411    HE2  HIS  55           HE2      HIS  55  21.931  -2.977  -6.871
  412    H    ALA  56           HN       ALA  56  18.356  -7.896  -4.491
  413    HA   ALA  56           HA       ALA  56  18.834  -6.759  -1.894
  414    HB1  ALA  56           HB1      ALA  56  17.971  -9.039  -2.162
  415    HB2  ALA  56           HB2      ALA  56  19.468  -9.000  -1.231
  416    HB3  ALA  56           HB3      ALA  56  19.491  -9.514  -2.917
  417    H    GLU  57           HN       GLU  57  20.593  -6.750  -4.697
  418    HA   GLU  57           HA       GLU  57  23.215  -6.982  -3.496
  419    HB2  GLU  57           HB2      GLU  57  22.679  -7.577  -5.904
  420    HB3  GLU  57           HB1      GLU  57  22.513  -5.855  -6.214
  421    HG2  GLU  57           HG2      GLU  57  24.694  -6.652  -6.896
  422    HG3  GLU  57           HG1      GLU  57  24.837  -5.507  -5.562
  423    H    HIS  58           HN       HIS  58  22.222  -5.328  -1.883
  424    HA   HIS  58           HA       HIS  58  23.421  -2.750  -2.492
  425    HB2  HIS  58           HB2      HIS  58  20.964  -2.685  -3.209
  426    HB3  HIS  58           HB1      HIS  58  20.559  -2.858  -1.508
  427    HD1  HIS  58           HD1      HIS  58  21.771  -0.400  -4.022
  428    HD2  HIS  58           HD2      HIS  58  21.062  -0.554   0.071
  429    HE1  HIS  58           HE1      HIS  58  21.775   1.989  -3.245
  430    HE2  HIS  58           HE2      HIS  58  21.133   1.874  -0.811
  431    H    VAL  59           HN       VAL  59  24.504  -4.515  -0.883
  432    HA   VAL  59           HA       VAL  59  23.606  -3.889   1.847
  433    HB   VAL  59           HB       VAL  59  25.333  -6.212   0.986
  434   HG11  VAL  59          HG11      VAL  59  25.709  -5.516   3.292
  435   HG12  VAL  59          HG12      VAL  59  24.872  -7.068   3.241
  436   HG13  VAL  59          HG13      VAL  59  23.976  -5.596   3.611
  437   HG21  VAL  59          HG21      VAL  59  23.349  -7.605   1.391
  438   HG22  VAL  59          HG22      VAL  59  23.092  -6.459   0.074
  439   HG23  VAL  59          HG23      VAL  59  22.394  -6.147   1.664
  440    H    ARG  60           HN       ARG  60  24.731  -1.904   1.865
  441    HA   ARG  60           HA       ARG  60  27.608  -2.277   2.391
  442    HB2  ARG  60           HB2      ARG  60  27.225  -0.749   0.500
  443    HB3  ARG  60           HB1      ARG  60  26.156   0.228   1.489
  444    HG2  ARG  60           HG2      ARG  60  28.435   1.168   1.143
  445    HG3  ARG  60           HG1      ARG  60  27.941   0.997   2.825
  446    HD2  ARG  60           HD2      ARG  60  30.253   0.302   2.537
  447    HD3  ARG  60           HD1      ARG  60  29.245  -1.066   2.999
  448    HE   ARG  60           HE       ARG  60  29.576  -0.831   0.161
  449   HH11  ARG  60          HH11      ARG  60  31.039  -2.028   3.109
  450   HH12  ARG  60          HH12      ARG  60  31.983  -3.236   2.297
  451   HH21  ARG  60          HH21      ARG  60  30.825  -2.421  -0.904
  452   HH22  ARG  60          HH22      ARG  60  31.864  -3.459   0.022
  453    H    GLY  61           HN       GLY  61  24.629  -1.880   3.718
  454    HA2  GLY  61           HA2      GLY  61  25.817  -1.158   6.287
  455    HA3  GLY  61           HA1      GLY  61  24.481  -0.166   5.713
  456    H    TYR  62           HN       TYR  62  22.599  -1.668   4.835
  457    HA   TYR  62           HA       TYR  62  22.018  -3.516   7.050
  458    HB2  TYR  62           HB2      TYR  62  20.005  -2.280   5.156
  459    HB3  TYR  62           HB1      TYR  62  19.681  -3.096   6.685
  460    HD1  TYR  62           HD2      TYR  62  20.978  -1.958   8.752
  461    HD2  TYR  62           HD1      TYR  62  19.855   0.036   5.161
  462    HE1  TYR  62           HE2      TYR  62  21.055   0.197   9.931
  463    HE2  TYR  62           HE1      TYR  62  19.930   2.198   6.335
  464    HH   TYR  62           HH       TYR  62  21.351   2.562   9.408
  465    H    ALA  63           HN       ALA  63  21.304  -5.592   6.637
  466    HA   ALA  63           HA       ALA  63  21.524  -6.476   3.840
  467    HB1  ALA  63           HB1      ALA  63  23.207  -7.439   5.332
  468    HB2  ALA  63           HB2      ALA  63  22.110  -8.675   4.712
  469    HB3  ALA  63           HB3      ALA  63  21.925  -8.079   6.361
  470    H    HIS  64           HN       HIS  64  19.153  -5.341   4.648
  471    HA   HIS  64           HA       HIS  64  17.357  -7.673   4.749
  472    HB2  HIS  64           HB2      HIS  64  16.962  -4.982   6.087
  473    HB3  HIS  64           HB1      HIS  64  15.699  -6.198   5.922
  474    HD1  HIS  64           HD1      HIS  64  15.787  -8.218   7.494
  475    HD2  HIS  64           HD2      HIS  64  18.929  -5.550   8.021
  476    HE1  HIS  64           HE1      HIS  64  16.863  -8.862   9.673
  477    HE2  HIS  64           HE2      HIS  64  18.853  -7.339   9.887
  478    HA   PRO  65           HA       PRO  65  16.023  -5.771   0.870
  479    HB2  PRO  65           HB2      PRO  65  14.102  -8.004   0.916
  480    HB3  PRO  65           HB1      PRO  65  15.303  -7.588  -0.309
  481    HG2  PRO  65           HG2      PRO  65  15.593  -9.731   1.285
  482    HG3  PRO  65           HG1      PRO  65  16.981  -8.770   0.741
  483    HD2  PRO  65           HD2      PRO  65  15.585  -8.752   3.389
  484    HD3  PRO  65           HD1      PRO  65  17.322  -8.649   3.027
  485    H    LEU  66           HN       LEU  66  14.347  -4.390   0.487
  486    HA   LEU  66           HA       LEU  66  12.621  -3.746   2.658
  487    HB2  LEU  66           HB2      LEU  66  13.610  -2.152   0.956
  488    HB3  LEU  66           HB1      LEU  66  12.426  -2.755  -0.184
  489    HG   LEU  66           HG       LEU  66  11.569  -1.545   2.433
  490   HD11  LEU  66          HD11      LEU  66  12.145  -0.101  -0.149
  491   HD12  LEU  66          HD12      LEU  66  13.009   0.094   1.376
  492   HD13  LEU  66          HD13      LEU  66  11.322   0.592   1.248
  493   HD21  LEU  66          HD21      LEU  66  10.234  -1.765  -0.263
  494   HD22  LEU  66          HD22      LEU  66   9.529  -1.056   1.190
  495   HD23  LEU  66          HD23      LEU  66   9.895  -2.780   1.138
  496    H    ASN  67           HN       ASN  67  10.778  -4.691   3.153
  497    HA   ASN  67           HA       ASN  67   9.011  -5.643   1.024
  498    HB2  ASN  67           HB2      ASN  67  10.333  -7.612   1.840
  499    HB3  ASN  67           HB1      ASN  67   9.683  -7.329   3.455
  500   HD21  ASN  67          HD21      ASN  67   7.473  -7.713   3.832
  501   HD22  ASN  67          HD22      ASN  67   6.535  -8.712   2.776
  502    H    LEU  68           HN       LEU  68   7.475  -4.162   1.362
  503    HA   LEU  68           HA       LEU  68   6.455  -3.792   4.099
  504    HB2  LEU  68           HB2      LEU  68   7.306  -1.734   3.218
  505    HB3  LEU  68           HB1      LEU  68   6.472  -1.972   1.694
  506    HG   LEU  68           HG       LEU  68   4.301  -1.737   2.950
  507   HD11  LEU  68          HD11      LEU  68   5.093  -2.231   5.184
  508   HD12  LEU  68          HD12      LEU  68   4.394  -0.614   5.126
  509   HD13  LEU  68          HD13      LEU  68   6.145  -0.816   5.145
  510   HD21  LEU  68          HD21      LEU  68   5.226   0.078   1.624
  511   HD22  LEU  68          HD22      LEU  68   6.199   0.602   2.997
  512   HD23  LEU  68          HD23      LEU  68   4.442   0.700   3.074
  513    H    ALA  69           HN       ALA  69   4.447  -4.416   4.538
  514    HA   ALA  69           HA       ALA  69   2.596  -4.853   2.282
  515    HB1  ALA  69           HB1      ALA  69   3.137  -6.879   3.588
  516    HB2  ALA  69           HB2      ALA  69   1.423  -6.462   3.652
  517    HB3  ALA  69           HB3      ALA  69   2.470  -6.100   5.024
  518    H    LEU  70           HN       LEU  70   1.199  -3.252   2.059
  519    HA   LEU  70           HA       LEU  70   0.421  -1.650   4.371
  520    HB2  LEU  70           HB2      LEU  70  -0.061  -1.306   1.409
  521    HB3  LEU  70           HB1      LEU  70  -0.695  -0.217   2.628
  522    HG   LEU  70           HG       LEU  70   2.253  -0.718   2.161
  523   HD11  LEU  70          HD11      LEU  70   1.223   0.356   0.229
  524   HD12  LEU  70          HD12      LEU  70   2.275   1.469   1.102
  525   HD13  LEU  70          HD13      LEU  70   0.524   1.587   1.281
  526   HD21  LEU  70          HD21      LEU  70   1.762   0.004   4.424
  527   HD22  LEU  70          HD22      LEU  70   0.777   1.332   3.807
  528   HD23  LEU  70          HD23      LEU  70   2.515   1.318   3.518
  529    H    THR  71           HN       THR  71  -1.344  -2.177   5.472
  530    HA   THR  71           HA       THR  71  -3.601  -3.368   3.997
  531    HB   THR  71           HB       THR  71  -4.215  -4.533   6.137
  532    HG1  THR  71           HG1      THR  71  -1.847  -3.260   6.950
  533   HG21  THR  71          HG21      THR  71  -2.483  -6.287   5.982
  534   HG22  THR  71          HG22      THR  71  -1.508  -5.212   4.979
  535   HG23  THR  71          HG23      THR  71  -3.072  -5.784   4.399
  536    H    TRP  72           HN       TRP  72  -5.721  -2.741   4.738
  537    HA   TRP  72           HA       TRP  72  -5.683  -0.220   6.260
  538    HB2  TRP  72           HB2      TRP  72  -7.042  -0.824   3.642
  539    HB3  TRP  72           HB1      TRP  72  -7.607   0.478   4.691
  540    HD1  TRP  72           HD1      TRP  72  -6.011   2.615   4.958
  541    HE1  TRP  72           HE1      TRP  72  -4.100   3.522   3.498
  542    HE3  TRP  72           HE3      TRP  72  -5.120  -1.539   2.111
  543    HZ2  TRP  72           HZ2      TRP  72  -2.442   2.609   1.410
  544    HZ3  TRP  72           HZ3      TRP  72  -3.354  -1.433   0.401
  545    HH2  TRP  72           HH2      TRP  72  -2.045   0.602   0.064
  546    H    ASN  73           HN       ASN  73  -7.686   0.404   7.216
  547    HA   ASN  73           HA       ASN  73  -9.059  -1.741   8.496
  548    HB2  ASN  73           HB2      ASN  73  -9.536   1.244   8.434
  549    HB3  ASN  73           HB1      ASN  73 -10.466   0.135   9.434
  550   HD21  ASN  73          HD21      ASN  73  -8.623   2.380  10.087
  551   HD22  ASN  73          HD22      ASN  73  -7.464   1.700  11.180
  552    H    THR  74           HN       THR  74 -10.865  -2.759   7.882
  553    HA   THR  74           HA       THR  74 -11.843  -2.479   5.275
  554    HB   THR  74           HB       THR  74 -11.936  -4.603   6.529
  555    HG1  THR  74           HG1      THR  74 -14.239  -3.508   5.314
  556   HG21  THR  74          HG21      THR  74 -12.642  -3.796   8.705
  557   HG22  THR  74          HG22      THR  74 -13.792  -4.990   8.105
  558   HG23  THR  74          HG23      THR  74 -14.187  -3.273   8.036
  559    H    ASP  75           HN       ASP  75 -12.911  -0.987   8.242
  560    HA   ASP  75           HA       ASP  75 -15.466  -0.134   7.373
  561    HB2  ASP  75           HB2      ASP  75 -13.533   0.958   9.410
  562    HB3  ASP  75           HB1      ASP  75 -15.050   1.773   9.059
  563    H    GLU  76           HN       GLU  76 -12.299   1.433   7.298
  564    HA   GLU  76           HA       GLU  76 -12.999   3.736   5.902
  565    HB2  GLU  76           HB2      GLU  76 -10.470   2.166   6.185
  566    HB3  GLU  76           HB1      GLU  76 -10.531   3.495   5.038
  567    HG2  GLU  76           HG2      GLU  76  -9.623   4.026   7.324
  568    HG3  GLU  76           HG1      GLU  76 -10.903   5.080   6.732
  569    H    ILE  77           HN       ILE  77 -12.042   0.550   4.668
  570    HA   ILE  77           HA       ILE  77 -12.109   1.110   1.939
  571    HB   ILE  77           HB       ILE  77 -12.970  -1.461   3.281
  572   HG12  ILE  77          HG12      ILE  77 -10.229  -0.579   2.324
  573   HG13  ILE  77          HG11      ILE  77 -10.723  -0.796   4.002
  574   HG21  ILE  77          HG21      ILE  77 -11.965  -0.965   0.479
  575   HG22  ILE  77          HG22      ILE  77 -13.629  -1.334   0.928
  576   HG23  ILE  77          HG23      ILE  77 -12.363  -2.536   1.174
  577   HD11  ILE  77          HD11      ILE  77 -11.051  -3.190   3.581
  578   HD12  ILE  77          HD12      ILE  77  -9.398  -2.676   3.247
  579   HD13  ILE  77          HD13      ILE  77 -10.518  -2.960   1.916
  580    H    GLU  78           HN       GLU  78 -14.732   0.145   4.109
  581    HA   GLU  78           HA       GLU  78 -16.796  -0.041   2.216
  582    HB2  GLU  78           HB2      GLU  78 -16.849  -0.808   4.623
  583    HB3  GLU  78           HB1      GLU  78 -17.052   0.873   5.089
  584    HG2  GLU  78           HG2      GLU  78 -19.187  -0.152   5.115
  585    HG3  GLU  78           HG1      GLU  78 -19.131   0.929   3.722
  586    H    ARG  79           HN       ARG  79 -15.520   2.671   4.054
  587    HA   ARG  79           HA       ARG  79 -17.473   4.567   3.321
  588    HB2  ARG  79           HB2      ARG  79 -15.856   4.776   5.226
  589    HB3  ARG  79           HB1      ARG  79 -14.595   5.112   4.052
  590    HG2  ARG  79           HG2      ARG  79 -15.350   7.183   4.959
  591    HG3  ARG  79           HG1      ARG  79 -15.910   7.079   3.289
  592    HD2  ARG  79           HD2      ARG  79 -17.660   7.946   4.763
  593    HD3  ARG  79           HD1      ARG  79 -18.122   6.396   4.062
  594    HE   ARG  79           HE       ARG  79 -16.978   5.749   6.458
  595   HH11  ARG  79          HH11      ARG  79 -19.612   7.853   5.496
  596   HH12  ARG  79          HH12      ARG  79 -20.509   7.604   6.959
  597   HH21  ARG  79          HH21      ARG  79 -18.131   5.442   8.386
  598   HH22  ARG  79          HH22      ARG  79 -19.663   6.225   8.610
  599    H    LEU  80           HN       LEU  80 -14.650   3.350   1.687
  600    HA   LEU  80           HA       LEU  80 -14.220   5.496  -0.100
  601    HB2  LEU  80           HB2      LEU  80 -13.656   2.556  -0.490
  602    HB3  LEU  80           HB1      LEU  80 -13.033   3.845  -1.500
  603    HG   LEU  80           HG       LEU  80 -12.363   3.325   1.397
  604   HD11  LEU  80          HD11      LEU  80 -10.114   2.947   0.533
  605   HD12  LEU  80          HD12      LEU  80 -10.689   3.230  -1.108
  606   HD13  LEU  80          HD13      LEU  80 -11.273   1.837  -0.198
  607   HD21  LEU  80          HD21      LEU  80 -12.441   5.717   1.093
  608   HD22  LEU  80          HD22      LEU  80 -11.517   5.597  -0.402
  609   HD23  LEU  80          HD23      LEU  80 -10.755   5.206   1.137
  610    H    MET  81           HN       MET  81 -16.702   3.172   0.073
  611    HA   MET  81           HA       MET  81 -17.396   3.307  -2.743
  612    HB2  MET  81           HB2      MET  81 -18.955   2.101  -0.445
  613    HB3  MET  81           HB1      MET  81 -19.237   1.826  -2.159
  614    HG2  MET  81           HG2      MET  81 -17.044   0.749  -2.339
  615    HG3  MET  81           HG1      MET  81 -16.784   1.013  -0.613
  616    HE1  MET  81           HE1      MET  81 -18.835  -0.892  -3.340
  617    HE2  MET  81           HE2      MET  81 -20.115  -0.041  -2.475
  618    HE3  MET  81           HE3      MET  81 -19.997  -1.797  -2.370
  619    H    GLU  82           HN       GLU  82 -17.523   5.504  -0.486
  620    HA   GLU  82           HA       GLU  82 -20.190   6.518  -1.205
  621    HB2  GLU  82           HB2      GLU  82 -19.692   6.029   1.248
  622    HB3  GLU  82           HB1      GLU  82 -18.533   7.345   1.183
  623    HG2  GLU  82           HG2      GLU  82 -20.649   8.052   2.139
  624    HG3  GLU  82           HG1      GLU  82 -20.303   8.905   0.639
  625    H    ALA  83           HN       ALA  83 -20.311   8.893  -1.521
  626    HA   ALA  83           HA       ALA  83 -18.363   9.919  -3.225
  627    HB1  ALA  83           HB1      ALA  83 -19.445  12.092  -2.929
  628    HB2  ALA  83           HB2      ALA  83 -20.302  11.478  -1.515
  629    HB3  ALA  83           HB3      ALA  83 -20.637  10.807  -3.111
  630    H    ASP  84           HN       ASP  84 -18.836  10.534   0.232
  631    HA   ASP  84           HA       ASP  84 -16.737  12.343   0.621
  632    HB2  ASP  84           HB2      ASP  84 -17.745  10.322   2.641
  633    HB3  ASP  84           HB1      ASP  84 -16.956  11.859   2.983
  634    H    GLY  85           HN       GLY  85 -16.789   8.877   0.359
  635    HA2  GLY  85           HA2      GLY  85 -14.270   8.457   1.676
  636    HA3  GLY  85           HA1      GLY  85 -15.210   7.259   0.790
  637    H    ALA  86           HN       ALA  86 -15.371   8.203  -1.719
  638    HA   ALA  86           HA       ALA  86 -12.940   7.810  -2.919
  639    HB1  ALA  86           HB1      ALA  86 -13.922   8.747  -4.936
  640    HB2  ALA  86           HB2      ALA  86 -15.208   9.488  -3.982
  641    HB3  ALA  86           HB3      ALA  86 -15.092   7.732  -4.091
  642    H    ALA  87           HN       ALA  87 -14.378  10.860  -1.852
  643    HA   ALA  87           HA       ALA  87 -12.449  12.600  -2.865
  644    HB1  ALA  87           HB1      ALA  87 -14.579  13.335  -1.900
  645    HB2  ALA  87           HB2      ALA  87 -13.208  14.181  -1.184
  646    HB3  ALA  87           HB3      ALA  87 -14.003  12.881  -0.297
  647    H    ARG  88           HN       ARG  88 -12.450  10.625   0.055
  648    HA   ARG  88           HA       ARG  88 -10.087  11.819   1.147
  649    HB2  ARG  88           HB2      ARG  88 -11.345   9.136   1.741
  650    HB3  ARG  88           HB1      ARG  88 -10.060   9.885   2.677
  651    HG2  ARG  88           HG2      ARG  88 -11.681  11.830   3.013
  652    HG3  ARG  88           HG1      ARG  88 -12.927  10.725   2.425
  653    HD2  ARG  88           HD2      ARG  88 -11.159  10.394   4.835
  654    HD3  ARG  88           HD1      ARG  88 -12.906  10.619   4.812
  655    HE   ARG  88           HE       ARG  88 -12.037   8.275   3.405
  656   HH11  ARG  88          HH11      ARG  88 -12.901   9.588   6.528
  657   HH12  ARG  88          HH12      ARG  88 -13.295   8.044   7.212
  658   HH21  ARG  88          HH21      ARG  88 -12.531   6.226   4.317
  659   HH22  ARG  88          HH22      ARG  88 -13.077   6.134   5.958
  660    H    PHE  89           HN       PHE  89 -10.785   9.158  -1.015
  661    HA   PHE  89           HA       PHE  89  -8.250   7.934  -0.978
  662    HB2  PHE  89           HB2      PHE  89 -10.227   6.843  -1.957
  663    HB3  PHE  89           HB1      PHE  89 -10.270   8.056  -3.235
  664    HD1  PHE  89           HD2      PHE  89  -8.040   5.450  -1.771
  665    HD2  PHE  89           HD1      PHE  89  -9.190   7.634  -5.245
  666    HE1  PHE  89           HE2      PHE  89  -6.561   4.051  -3.141
  667    HE2  PHE  89           HE1      PHE  89  -7.714   6.230  -6.616
  668    HZ   PHE  89           HZ       PHE  89  -6.396   4.436  -5.565
  669    H    GLU  90           HN       GLU  90  -9.598  10.518  -3.003
  670    HA   GLU  90           HA       GLU  90  -7.319  10.855  -4.632
  671    HB2  GLU  90           HB2      GLU  90  -9.477  12.830  -3.855
  672    HB3  GLU  90           HB1      GLU  90  -8.274  13.121  -5.101
  673    HG2  GLU  90           HG2      GLU  90  -9.146  11.172  -6.347
  674    HG3  GLU  90           HG1      GLU  90 -10.400  10.986  -5.121
  675    H    ARG  91           HN       ARG  91  -8.288  12.218  -1.547
  676    HA   ARG  91           HA       ARG  91  -6.171  14.110  -1.382
  677    HB2  ARG  91           HB2      ARG  91  -8.350  14.190  -0.103
  678    HB3  ARG  91           HB1      ARG  91  -7.723  12.895   0.907
  679    HG2  ARG  91           HG2      ARG  91  -7.413  14.983   2.031
  680    HG3  ARG  91           HG1      ARG  91  -5.836  14.361   1.544
  681    HD2  ARG  91           HD2      ARG  91  -5.905  15.837  -0.434
  682    HD3  ARG  91           HD1      ARG  91  -7.436  16.495   0.138
  683    HE   ARG  91           HE       ARG  91  -5.486  16.740   2.158
  684   HH11  ARG  91          HH11      ARG  91  -6.369  18.075  -0.949
  685   HH12  ARG  91          HH12      ARG  91  -5.627  19.614  -0.644
  686   HH21  ARG  91          HH21      ARG  91  -4.509  18.768   2.568
  687   HH22  ARG  91          HH22      ARG  91  -4.579  20.011   1.360
  688    H    TYR  92           HN       TYR  92  -6.518  10.741  -0.596
  689    HA   TYR  92           HA       TYR  92  -4.243  10.569   1.127
  690    HB2  TYR  92           HB2      TYR  92  -6.074   8.942   1.275
  691    HB3  TYR  92           HB1      TYR  92  -5.755   8.415  -0.373
  692    HD1  TYR  92           HD1      TYR  92  -4.162   8.642   2.988
  693    HD2  TYR  92           HD2      TYR  92  -4.296   6.631  -0.762
  694    HE1  TYR  92           HE1      TYR  92  -2.599   6.948   3.846
  695    HE2  TYR  92           HE2      TYR  92  -2.732   4.931   0.089
  696    HH   TYR  92           HH       TYR  92  -1.952   4.641   3.391
  697    H    LEU  93           HN       LEU  93  -4.853  10.131  -2.305
  698    HA   LEU  93           HA       LEU  93  -2.355   9.031  -3.004
  699    HB2  LEU  93           HB2      LEU  93  -4.155  10.794  -4.672
  700    HB3  LEU  93           HB1      LEU  93  -2.849   9.801  -5.288
  701    HG   LEU  93           HG       LEU  93  -5.378   8.777  -3.988
  702   HD11  LEU  93          HD11      LEU  93  -5.909   7.950  -6.225
  703   HD12  LEU  93          HD12      LEU  93  -4.462   8.735  -6.855
  704   HD13  LEU  93          HD13      LEU  93  -5.774   9.708  -6.193
  705   HD21  LEU  93          HD21      LEU  93  -3.553   7.271  -3.519
  706   HD22  LEU  93          HD22      LEU  93  -3.044   7.307  -5.207
  707   HD23  LEU  93          HD23      LEU  93  -4.582   6.567  -4.765
  708    H    ALA  94           HN       ALA  94  -3.486  12.344  -2.652
  709    HA   ALA  94           HA       ALA  94  -1.085  13.579  -3.526
  710    HB1  ALA  94           HB1      ALA  94  -3.241  14.740  -3.504
  711    HB2  ALA  94           HB2      ALA  94  -2.020  15.621  -2.585
  712    HB3  ALA  94           HB3      ALA  94  -3.253  14.681  -1.741
  713    H    ALA  95           HN       ALA  95  -1.904  11.960  -0.641
  714    HA   ALA  95           HA       ALA  95   0.167  13.375   0.883
  715    HB1  ALA  95           HB1      ALA  95  -2.053  13.232   1.917
  716    HB2  ALA  95           HB2      ALA  95  -0.827  12.392   2.868
  717    HB3  ALA  95           HB3      ALA  95  -1.952  11.473   1.869
  718    H    LEU  96           HN       LEU  96  -0.075  10.729  -1.045
  719    HA   LEU  96           HA       LEU  96   1.037   8.615   0.326
  720    HB2  LEU  96           HB2      LEU  96   1.306   9.441  -2.545
  721    HB3  LEU  96           HB1      LEU  96   2.089   8.000  -1.936
  722    HG   LEU  96           HG       LEU  96  -0.879   8.483  -1.765
  723   HD11  LEU  96          HD11      LEU  96  -1.061   6.922  -3.644
  724   HD12  LEU  96          HD12      LEU  96   0.697   6.891  -3.783
  725   HD13  LEU  96          HD13      LEU  96  -0.185   8.385  -4.094
  726   HD21  LEU  96          HD21      LEU  96  -0.944   6.044  -1.379
  727   HD22  LEU  96          HD22      LEU  96  -0.074   6.909  -0.114
  728   HD23  LEU  96          HD23      LEU  96   0.819   6.025  -1.350
  729    HA   PRO  97           HA       PRO  97   5.547  10.156  -0.770
  730    HB2  PRO  97           HB2      PRO  97   5.741  12.904  -0.954
  731    HB3  PRO  97           HB1      PRO  97   5.692  11.809  -2.338
  732    HG2  PRO  97           HG2      PRO  97   3.478  13.396  -1.102
  733    HG3  PRO  97           HG1      PRO  97   3.835  13.120  -2.818
  734    HD2  PRO  97           HD2      PRO  97   1.889  11.770  -1.576
  735    HD3  PRO  97           HD1      PRO  97   2.921  10.983  -2.787
  736    H    ARG  98           HN       ARG  98   3.237  12.018   1.092
  737    HA   ARG  98           HA       ARG  98   5.132  13.016   2.992
  738    HB2  ARG  98           HB2      ARG  98   2.929  14.101   2.460
  739    HB3  ARG  98           HB1      ARG  98   2.132  12.779   3.295
  740    HG2  ARG  98           HG2      ARG  98   3.400  13.403   5.346
  741    HG3  ARG  98           HG1      ARG  98   3.995  14.820   4.480
  742    HD2  ARG  98           HD2      ARG  98   2.143  15.581   5.704
  743    HD3  ARG  98           HD1      ARG  98   1.561  15.389   4.052
  744    HE   ARG  98           HE       ARG  98   1.098  13.031   5.558
  745   HH11  ARG  98          HH11      ARG  98  -0.108  16.275   5.059
  746   HH12  ARG  98          HH12      ARG  98  -1.696  15.917   5.656
  747   HH21  ARG  98          HH21      ARG  98  -1.004  12.551   6.339
  748   HH22  ARG  98          HH22      ARG  98  -2.211  13.808   6.385
  749    H    LYS  99           HN       LYS  99   2.795  10.368   2.925
  750    HA   LYS  99           HA       LYS  99   3.287   9.627   5.656
  751    HB2  LYS  99           HB2      LYS  99   1.812   8.227   3.427
  752    HB3  LYS  99           HB1      LYS  99   1.901   7.625   5.073
  753    HG2  LYS  99           HG2      LYS  99   0.876   9.804   5.805
  754    HG3  LYS  99           HG1      LYS  99   0.590  10.146   4.099
  755    HD2  LYS  99           HD2      LYS  99  -1.410   9.207   5.023
  756    HD3  LYS  99           HD1      LYS  99  -0.681   8.010   3.951
  757    HE2  LYS  99           HE2      LYS  99  -1.456   6.952   5.994
  758    HE3  LYS  99           HE1      LYS  99   0.300   6.880   5.900
  759    HZ1  LYS  99           HZ1      LYS  99  -1.248   8.856   7.485
  760    HZ2  LYS  99           HZ2      LYS  99   0.437   8.735   7.428
  761    HZ3  LYS  99           HZ3      LYS  99  -0.477   7.493   8.115
  762    H    LEU 100           HN       LEU 100   4.368   8.641   2.498
  763    HA   LEU 100           HA       LEU 100   5.680   6.267   3.131
  764    HB2  LEU 100           HB2      LEU 100   5.223   7.332   0.842
  765    HB3  LEU 100           HB1      LEU 100   6.669   8.281   1.123
  766    HG   LEU 100           HG       LEU 100   7.885   6.049   1.407
  767   HD11  LEU 100          HD11      LEU 100   5.349   5.077   0.102
  768   HD12  LEU 100          HD12      LEU 100   5.976   4.602   1.681
  769   HD13  LEU 100          HD13      LEU 100   6.848   4.158   0.216
  770   HD21  LEU 100          HD21      LEU 100   8.171   5.796  -1.005
  771   HD22  LEU 100          HD22      LEU 100   8.160   7.496  -0.536
  772   HD23  LEU 100          HD23      LEU 100   6.733   6.777  -1.282
  773    H    ALA 101           HN       ALA 101   6.914   9.598   3.007
  774    HA   ALA 101           HA       ALA 101   9.539   8.986   3.841
  775    HB1  ALA 101           HB1      ALA 101   9.800  11.370   4.174
  776    HB2  ALA 101           HB2      ALA 101   8.051  11.592   4.122
  777    HB3  ALA 101           HB3      ALA 101   8.916  11.061   2.679
  778    H    ALA 102           HN       ALA 102   6.591   9.640   5.583
  779    HA   ALA 102           HA       ALA 102   7.730  10.141   8.120
  780    HB1  ALA 102           HB1      ALA 102   5.420  10.730   7.563
  781    HB2  ALA 102           HB2      ALA 102   5.503   9.718   9.005
  782    HB3  ALA 102           HB3      ALA 102   5.011   9.017   7.462
  783    H    TRP 103           HN       TRP 103   6.599   7.184   6.534
  784    HA   TRP 103           HA       TRP 103   7.049   5.499   8.779
  785    HB2  TRP 103           HB2      TRP 103   6.767   4.865   5.834
  786    HB3  TRP 103           HB1      TRP 103   6.897   3.633   7.088
  787    HD1  TRP 103           HD1      TRP 103   4.918   4.903   9.241
  788    HE1  TRP 103           HE1      TRP 103   2.389   4.939   8.767
  789    HE3  TRP 103           HE3      TRP 103   5.046   4.422   4.158
  790    HZ2  TRP 103           HZ2      TRP 103   0.680   4.781   6.531
  791    HZ3  TRP 103           HZ3      TRP 103   2.918   4.370   2.924
  792    HH2  TRP 103           HH2      TRP 103   0.781   4.546   4.090
  793    H    GLU 104           HN       GLU 104   9.038   6.598   6.122
  794    HA   GLU 104           HA       GLU 104  11.157   4.799   6.328
  795    HB2  GLU 104           HB2      GLU 104  11.279   7.747   5.673
  796    HB3  GLU 104           HB1      GLU 104  12.570   6.594   5.383
  797    HG2  GLU 104           HG2      GLU 104  10.992   5.345   3.889
  798    HG3  GLU 104           HG1      GLU 104   9.875   6.703   4.061
  799    H    ASN 105           HN       ASN 105  10.711   7.918   7.927
  800    HA   ASN 105           HA       ASN 105  13.066   7.772   9.474
  801    HB2  ASN 105           HB2      ASN 105  10.543   9.380   9.931
  802    HB3  ASN 105           HB1      ASN 105  12.060   9.630  10.787
  803   HD21  ASN 105          HD21      ASN 105  13.639   9.058   8.345
  804   HD22  ASN 105          HD22      ASN 105  13.499  10.479   7.369
  805    H    ALA 106           HN       ALA 106   9.828   6.572  10.009
  806    HA   ALA 106           HA       ALA 106  10.213   6.206  12.833
  807    HB1  ALA 106           HB1      ALA 106   7.995   5.241  12.826
  808    HB2  ALA 106           HB2      ALA 106   8.013   5.160  11.065
  809    HB3  ALA 106           HB3      ALA 106   8.010   6.726  11.875
  810    H    ARG 107           HN       ARG 107  10.145   4.068   9.996
  811    HA   ARG 107           HA       ARG 107  10.600   1.794  11.789
  812    HB2  ARG 107           HB2      ARG 107   9.746   1.885   8.901
  813    HB3  ARG 107           HB1      ARG 107  10.044   0.399   9.789
  814    HG2  ARG 107           HG2      ARG 107   7.972   2.468  10.511
  815    HG3  ARG 107           HG1      ARG 107   7.657   0.968   9.638
  816    HD2  ARG 107           HD2      ARG 107   8.720   1.201  12.459
  817    HD3  ARG 107           HD1      ARG 107   7.088   0.727  11.998
  818    HE   ARG 107           HE       ARG 107   9.481  -0.863  11.287
  819   HH11  ARG 107          HH11      ARG 107   6.208  -0.638  12.530
  820   HH12  ARG 107          HH12      ARG 107   5.999  -2.354  12.625
  821   HH21  ARG 107          HH21      ARG 107   9.218  -3.104  11.431
  822   HH22  ARG 107          HH22      ARG 107   7.711  -3.762  12.008
  823    H    GLY 108           HN       GLY 108  12.538   3.851  10.159
  824    HA2  GLY 108           HA2      GLY 108  14.800   3.702   9.685
  825    HA3  GLY 108           HA1      GLY 108  14.761   2.048  10.288
  826    H    VAL 109           HN       VAL 109  13.198   3.742   7.615
  827    HA   VAL 109           HA       VAL 109  14.114   1.602   5.806
  828    HB   VAL 109           HB       VAL 109  11.403   2.958   5.778
  829   HG11  VAL 109          HG11      VAL 109  10.832   1.422   3.970
  830   HG12  VAL 109          HG12      VAL 109  12.480   0.799   3.976
  831   HG13  VAL 109          HG13      VAL 109  12.174   2.475   3.521
  832   HG21  VAL 109          HG21      VAL 109  10.485   0.768   6.309
  833   HG22  VAL 109          HG22      VAL 109  11.598   1.308   7.567
  834   HG23  VAL 109          HG23      VAL 109  12.112   0.097   6.395
  835    H    ASP 110           HN       ASP 110  14.700   2.282   3.710
  836    HA   ASP 110           HA       ASP 110  14.326   5.127   3.096
  837    HB2  ASP 110           HB2      ASP 110  16.677   4.692   3.973
  838    HB3  ASP 110           HB1      ASP 110  16.939   3.707   2.531
  839    H    PHE 111           HN       PHE 111  12.963   4.980   1.431
  840    HA   PHE 111           HA       PHE 111  12.864   2.730  -0.298
  841    HB2  PHE 111           HB2      PHE 111  11.500   5.410  -0.341
  842    HB3  PHE 111           HB1      PHE 111  11.256   4.223  -1.618
  843    HD1  PHE 111           HD2      PHE 111  10.778   4.928   1.957
  844    HD2  PHE 111           HD1      PHE 111   9.932   2.273  -1.256
  845    HE1  PHE 111           HE2      PHE 111   9.051   3.834   3.320
  846    HE2  PHE 111           HE1      PHE 111   8.200   1.176   0.099
  847    HZ   PHE 111           HZ       PHE 111   7.817   1.891   2.414
  848    H    GLY 112           HN       GLY 112  14.626   5.703  -0.413
  849    HA2  GLY 112           HA2      GLY 112  15.205   5.560  -3.227
  850    HA3  GLY 112           HA1      GLY 112  16.029   6.567  -2.043
  851    H    SER 113           HN       SER 113  16.362   4.033  -0.401
  852    HA   SER 113           HA       SER 113  18.834   3.163  -1.694
  853    HB2  SER 113           HB2      SER 113  18.802   3.991   0.688
  854    HB3  SER 113           HB1      SER 113  17.844   2.574   1.106
  855    HG   SER 113           HG       SER 113  19.891   1.973   1.503
  856    H    ARG 114           HN       ARG 114  15.651   2.138  -1.071
  857    HA   ARG 114           HA       ARG 114  14.464   0.263  -1.465
  858    HB2  ARG 114           HB2      ARG 114  16.849  -0.346  -3.201
  859    HB3  ARG 114           HB1      ARG 114  15.440  -1.402  -3.110
  860    HG2  ARG 114           HG2      ARG 114  14.031   0.526  -3.801
  861    HG3  ARG 114           HG1      ARG 114  15.509   1.460  -4.042
  862    HD2  ARG 114           HD2      ARG 114  14.863  -1.139  -5.424
  863    HD3  ARG 114           HD1      ARG 114  14.610   0.456  -6.124
  864    HE   ARG 114           HE       ARG 114  17.282   0.281  -5.332
  865   HH11  ARG 114          HH11      ARG 114  15.102  -1.160  -7.666
  866   HH12  ARG 114          HH12      ARG 114  16.355  -1.501  -8.819
  867   HH21  ARG 114          HH21      ARG 114  18.936  -0.166  -6.846
  868   HH22  ARG 114          HH22      ARG 114  18.537  -0.907  -8.363
  869    H    THR 115           HN       THR 115  16.384   0.400   0.766
  870    HA   THR 115           HA       THR 115  16.285  -2.442   1.459
  871    HB   THR 115           HB       THR 115  18.459  -2.048   2.763
  872    HG1  THR 115           HG1      THR 115  18.906  -0.036   0.817
  873   HG21  THR 115          HG21      THR 115  18.373  -3.486   0.794
  874   HG22  THR 115          HG22      THR 115  19.874  -2.561   0.818
  875   HG23  THR 115          HG23      THR 115  18.559  -2.080  -0.255
  876    H    GLN 116           HN       GLN 116  16.643  -2.633   3.955
  877    HA   GLN 116           HA       GLN 116  15.620  -0.316   5.379
  878    HB2  GLN 116           HB2      GLN 116  13.676  -1.457   6.254
  879    HB3  GLN 116           HB1      GLN 116  13.620  -1.519   4.501
  880    HG2  GLN 116           HG2      GLN 116  14.527  -3.822   4.597
  881    HG3  GLN 116           HG1      GLN 116  14.425  -3.746   6.356
  882   HE21  GLN 116          HE21      GLN 116  12.944  -5.387   6.544
  883   HE22  GLN 116          HE22      GLN 116  11.310  -5.248   6.006
  884    H    ALA 117           HN       ALA 117  15.873  -0.446   7.642
  885    HA   ALA 117           HA       ALA 117  17.871  -2.368   8.524
  886    HB1  ALA 117           HB1      ALA 117  18.079   0.007   9.140
  887    HB2  ALA 117           HB2      ALA 117  17.964  -1.036  10.558
  888    HB3  ALA 117           HB3      ALA 117  16.563  -0.105  10.032
  889    H    ASP 118           HN       ASP 118  14.562  -2.161   8.373
  890    HA   ASP 118           HA       ASP 118  13.918  -3.507  10.841
  891    HB2  ASP 118           HB2      ASP 118  12.450  -1.836   9.460
  892    HB3  ASP 118           HB1      ASP 118  12.058  -3.257   8.491
  893    H    ALA 119           HN       ALA 119  13.006  -5.605  10.963
  894    HA   ALA 119           HA       ALA 119  14.264  -7.516   9.223
  895    HB1  ALA 119           HB1      ALA 119  14.065  -7.912  11.640
  896    HB2  ALA 119           HB2      ALA 119  13.293  -9.191  10.704
  897    HB3  ALA 119           HB3      ALA 119  12.309  -7.952  11.482
  898    H    LEU 120           HN       LEU 120  11.027  -6.268   9.764
  899    HA   LEU 120           HA       LEU 120  10.121  -6.972   7.184
  900    HB2  LEU 120           HB2      LEU 120  10.011  -9.218   8.250
  901    HB3  LEU 120           HB1      LEU 120   8.951  -8.563   9.474
  902    HG   LEU 120           HG       LEU 120   7.296  -8.041   7.674
  903   HD11  LEU 120          HD11      LEU 120   9.220  -9.625   5.990
  904   HD12  LEU 120          HD12      LEU 120   8.757  -7.937   5.771
  905   HD13  LEU 120          HD13      LEU 120   7.570  -9.215   5.527
  906   HD21  LEU 120          HD21      LEU 120   7.073 -10.022   9.059
  907   HD22  LEU 120          HD22      LEU 120   8.126 -10.921   7.965
  908   HD23  LEU 120          HD23      LEU 120   6.552 -10.353   7.407
  909    H    VAL 121           HN       VAL 121   8.551  -5.461   6.697
  910    HA   VAL 121           HA       VAL 121   7.386  -4.115   9.036
  911    HB   VAL 121           HB       VAL 121   9.000  -2.632   8.087
  912   HG11  VAL 121          HG11      VAL 121   7.614  -2.949   5.435
  913   HG12  VAL 121          HG12      VAL 121   9.192  -3.607   5.865
  914   HG13  VAL 121          HG13      VAL 121   8.956  -1.861   5.783
  915   HG21  VAL 121          HG21      VAL 121   7.601  -0.707   7.476
  916   HG22  VAL 121          HG22      VAL 121   6.970  -1.580   8.871
  917   HG23  VAL 121          HG23      VAL 121   6.220  -1.788   7.289
  918    H    LEU 122           HN       LEU 122   5.490  -5.150   9.101
  919    HA   LEU 122           HA       LEU 122   3.711  -4.886   6.770
  920    HB2  LEU 122           HB2      LEU 122   3.242  -6.581   9.224
  921    HB3  LEU 122           HB1      LEU 122   2.402  -6.670   7.689
  922    HG   LEU 122           HG       LEU 122   5.264  -7.496   8.205
  923   HD11  LEU 122          HD11      LEU 122   4.437  -9.747   7.711
  924   HD12  LEU 122          HD12      LEU 122   2.797  -9.112   7.588
  925   HD13  LEU 122          HD13      LEU 122   3.654  -9.052   9.129
  926   HD21  LEU 122          HD21      LEU 122   3.654  -7.630   5.661
  927   HD22  LEU 122          HD22      LEU 122   5.251  -8.333   5.911
  928   HD23  LEU 122          HD23      LEU 122   5.042  -6.584   5.964
  929    H    LEU 123           HN       LEU 123   2.608  -3.014   6.925
  930    HA   LEU 123           HA       LEU 123   2.036  -1.944   9.587
  931    HB2  LEU 123           HB2      LEU 123   1.722  -0.620   6.892
  932    HB3  LEU 123           HB1      LEU 123   1.564   0.163   8.453
  933    HG   LEU 123           HG       LEU 123   4.105  -0.995   7.309
  934   HD11  LEU 123          HD11      LEU 123   3.367   1.052   6.190
  935   HD12  LEU 123          HD12      LEU 123   4.830   1.314   7.139
  936   HD13  LEU 123          HD13      LEU 123   3.271   1.866   7.752
  937   HD21  LEU 123          HD21      LEU 123   4.065  -1.179   9.740
  938   HD22  LEU 123          HD22      LEU 123   3.631   0.527   9.869
  939   HD23  LEU 123          HD23      LEU 123   5.205   0.062   9.222
  940    H    GLY 124           HN       GLY 124   0.170  -2.442  10.449
  941    HA2  GLY 124           HA2      GLY 124  -2.180  -2.768   8.710
  942    HA3  GLY 124           HA1      GLY 124  -2.014  -3.436  10.325
  943    H    GLY 125           HN       GLY 125  -4.281  -2.093   9.680
  944    HA2  GLY 125           HA2      GLY 125  -5.676  -0.590  10.698
  945    HA3  GLY 125           HA1      GLY 125  -4.360  -0.217  11.800
  946    H    LEU 126           HN       LEU 126  -3.974   0.190   8.348
  947    HA   LEU 126           HA       LEU 126  -3.475   2.977   8.692
  948    HB2  LEU 126           HB2      LEU 126  -3.508   1.136   6.352
  949    HB3  LEU 126           HB1      LEU 126  -3.612   2.862   6.056
  950    HG   LEU 126           HG       LEU 126  -1.482   3.125   7.374
  951   HD11  LEU 126          HD11      LEU 126  -0.083   1.163   7.679
  952   HD12  LEU 126          HD12      LEU 126  -1.384   0.128   7.094
  953   HD13  LEU 126          HD13      LEU 126  -1.577   1.019   8.604
  954   HD21  LEU 126          HD21      LEU 126  -1.532   3.171   4.940
  955   HD22  LEU 126          HD22      LEU 126  -1.385   1.414   4.893
  956   HD23  LEU 126          HD23      LEU 126  -0.063   2.395   5.529
  957    H    ASP 127           HN       ASP 127  -4.590   4.714   7.971
  958    HA   ASP 127           HA       ASP 127  -7.416   4.299   7.238
  959    HB2  ASP 127           HB2      ASP 127  -6.206   6.482   8.971
  960    HB3  ASP 127           HB1      ASP 127  -7.858   6.515   8.361
  961    H    PHE 128           HN       PHE 128  -8.257   6.437   6.180
  962    HA   PHE 128           HA       PHE 128  -6.231   7.299   4.234
  963    HB2  PHE 128           HB2      PHE 128  -9.254   7.282   4.061
  964    HB3  PHE 128           HB1      PHE 128  -8.203   7.995   2.841
  965    HD1  PHE 128           HD2      PHE 128  -9.191   4.825   4.463
  966    HD2  PHE 128           HD1      PHE 128  -7.083   6.654   1.247
  967    HE1  PHE 128           HE2      PHE 128  -8.999   2.638   3.347
  968    HE2  PHE 128           HE1      PHE 128  -6.890   4.476   0.127
  969    HZ   PHE 128           HZ       PHE 128  -7.791   2.432   1.240
  970    H    GLU 129           HN       GLU 129  -6.109   8.357   6.716
  971    HA   GLU 129           HA       GLU 129  -7.522  10.899   6.747
  972    HB2  GLU 129           HB2      GLU 129  -7.202   9.374   8.782
  973    HB3  GLU 129           HB1      GLU 129  -5.517   9.873   8.759
  974    HG2  GLU 129           HG2      GLU 129  -6.744  11.166  10.371
  975    HG3  GLU 129           HG1      GLU 129  -6.219  12.203   9.045
  976    H    ALA 130           HN       ALA 130  -6.618  12.346   5.406
  977    HA   ALA 130           HA       ALA 130  -3.698  12.495   5.243
  978    HB1  ALA 130           HB1      ALA 130  -5.790  13.769   3.486
  979    HB2  ALA 130           HB2      ALA 130  -4.903  12.287   3.125
  980    HB3  ALA 130           HB3      ALA 130  -4.046  13.827   3.232
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -22.914 -11.901  -4.509
    2    H2   GLY   1           HT2      GLY   1 -22.515 -13.535  -4.365
    3    H3   GLY   1           HT3      GLY   1 -21.290 -12.372  -4.484
    4    HA2  GLY   1           HA1      GLY   1 -21.508 -13.132  -2.211
    5    HA3  GLY   1           HA2      GLY   1 -21.922 -11.431  -2.369
    6    H    ALA   2           HN       ALA   2 -22.809 -12.768  -0.179
    7    HA   ALA   2           HA       ALA   2 -25.645 -12.525  -0.407
    8    HB1  ALA   2           HB1      ALA   2 -25.399 -14.786  -1.319
    9    HB2  ALA   2           HB2      ALA   2 -26.228 -14.816   0.238
   10    HB3  ALA   2           HB3      ALA   2 -24.530 -15.279   0.134
   11    H    MET   3           HN       MET   3 -26.712 -13.064   1.712
   12    HA   MET   3           HA       MET   3 -26.944 -12.761   3.946
   13    HB2  MET   3           HB2      MET   3 -24.066 -13.708   4.096
   14    HB3  MET   3           HB1      MET   3 -25.197 -13.636   5.441
   15    HG2  MET   3           HG2      MET   3 -25.417 -15.398   3.007
   16    HG3  MET   3           HG1      MET   3 -24.968 -15.907   4.632
   17    HE1  MET   3           HE1      MET   3 -27.281 -17.207   2.799
   18    HE2  MET   3           HE2      MET   3 -28.537 -17.477   4.006
   19    HE3  MET   3           HE3      MET   3 -26.855 -17.828   4.395
   20    H    GLY   4           HN       GLY   4 -26.130 -10.561   2.314
   21    HA2  GLY   4           HA2      GLY   4 -25.922  -8.312   3.179
   22    HA3  GLY   4           HA1      GLY   4 -24.765  -8.925   4.355
   23    H    MET   5           HN       MET   5 -24.178  -6.727   2.724
   24    HA   MET   5           HA       MET   5 -22.478  -7.850   0.626
   25    HB2  MET   5           HB2      MET   5 -22.290  -5.583  -0.259
   26    HB3  MET   5           HB1      MET   5 -23.969  -6.065  -0.098
   27    HG2  MET   5           HG2      MET   5 -24.182  -4.725   1.915
   28    HG3  MET   5           HG1      MET   5 -22.479  -4.278   1.812
   29    HE1  MET   5           HE1      MET   5 -22.863  -1.690   1.811
   30    HE2  MET   5           HE2      MET   5 -24.558  -2.041   2.137
   31    HE3  MET   5           HE3      MET   5 -24.122  -0.895   0.870
   32    H    SER   6           HN       SER   6 -20.498  -8.302   1.138
   33    HA   SER   6           HA       SER   6 -18.866  -6.386   2.540
   34    HB2  SER   6           HB2      SER   6 -19.238  -9.162   3.691
   35    HB3  SER   6           HB1      SER   6 -18.065  -7.975   4.255
   36    HG   SER   6           HG       SER   6 -20.329  -6.708   4.266
   37    HA   PRO   7           HA       PRO   7 -16.006  -9.817   0.605
   38    HB2  PRO   7           HB2      PRO   7 -17.270 -11.676  -0.961
   39    HB3  PRO   7           HB1      PRO   7 -16.824 -11.956   0.724
   40    HG2  PRO   7           HG2      PRO   7 -19.463 -11.143  -0.429
   41    HG3  PRO   7           HG1      PRO   7 -19.116 -12.340   0.833
   42    HD2  PRO   7           HD2      PRO   7 -20.012  -9.886   1.448
   43    HD3  PRO   7           HD1      PRO   7 -18.810 -10.707   2.465
   44    H    ASP   8           HN       ASP   8 -18.847  -8.526  -0.809
   45    HA   ASP   8           HA       ASP   8 -17.744  -8.395  -3.497
   46    HB2  ASP   8           HB2      ASP   8 -19.869  -7.224  -4.062
   47    HB3  ASP   8           HB1      ASP   8 -20.123  -8.808  -3.341
   48    H    THR   9           HN       THR   9 -18.388  -6.285  -0.762
   49    HA   THR   9           HA       THR   9 -17.593  -3.853  -1.956
   50    HB   THR   9           HB       THR   9 -17.357  -4.640   0.956
   51    HG1  THR   9           HG1      THR   9 -19.568  -3.871  -0.633
   52   HG21  THR   9          HG21      THR   9 -17.649  -2.246   1.372
   53   HG22  THR   9          HG22      THR   9 -17.714  -1.948  -0.365
   54   HG23  THR   9          HG23      THR   9 -16.227  -2.548   0.373
   55    H    ALA  10           HN       ALA  10 -15.880  -6.359  -0.171
   56    HA   ALA  10           HA       ALA  10 -13.349  -5.148  -0.090
   57    HB1  ALA  10           HB1      ALA  10 -13.951  -7.091   1.279
   58    HB2  ALA  10           HB2      ALA  10 -12.477  -7.380   0.353
   59    HB3  ALA  10           HB3      ALA  10 -14.003  -8.092  -0.172
   60    H    ARG  11           HN       ARG  11 -14.906  -7.217  -2.488
   61    HA   ARG  11           HA       ARG  11 -12.622  -7.459  -4.150
   62    HB2  ARG  11           HB2      ARG  11 -14.592  -9.018  -4.188
   63    HB3  ARG  11           HB1      ARG  11 -15.502  -7.755  -5.009
   64    HG2  ARG  11           HG2      ARG  11 -13.968  -7.803  -6.871
   65    HG3  ARG  11           HG1      ARG  11 -12.949  -8.975  -6.039
   66    HD2  ARG  11           HD2      ARG  11 -14.830 -10.575  -6.062
   67    HD3  ARG  11           HD1      ARG  11 -15.782  -9.406  -6.979
   68    HE   ARG  11           HE       ARG  11 -13.552  -9.673  -8.477
   69   HH11  ARG  11          HH11      ARG  11 -15.770 -12.005  -7.105
   70   HH12  ARG  11          HH12      ARG  11 -15.537 -13.163  -8.375
   71   HH21  ARG  11          HH21      ARG  11 -13.260 -11.189 -10.162
   72   HH22  ARG  11          HH22      ARG  11 -14.116 -12.698 -10.117
   73    H    ARG  12           HN       ARG  12 -15.223  -5.123  -3.914
   74    HA   ARG  12           HA       ARG  12 -14.908  -3.782  -6.338
   75    HB2  ARG  12           HB2      ARG  12 -15.730  -2.798  -3.613
   76    HB3  ARG  12           HB1      ARG  12 -15.720  -1.750  -5.021
   77    HG2  ARG  12           HG2      ARG  12 -17.295  -4.308  -4.849
   78    HG3  ARG  12           HG1      ARG  12 -17.941  -2.721  -4.431
   79    HD2  ARG  12           HD2      ARG  12 -18.620  -3.135  -6.650
   80    HD3  ARG  12           HD1      ARG  12 -17.290  -1.987  -6.760
   81    HE   ARG  12           HE       ARG  12 -16.757  -4.849  -7.124
   82   HH11  ARG  12          HH11      ARG  12 -16.914  -1.602  -8.451
   83   HH12  ARG  12          HH12      ARG  12 -16.086  -2.027  -9.913
   84   HH21  ARG  12          HH21      ARG  12 -15.660  -5.401  -9.058
   85   HH22  ARG  12          HH22      ARG  12 -15.384  -4.184 -10.264
   86    H    PHE  13           HN       PHE  13 -13.311  -3.152  -3.212
   87    HA   PHE  13           HA       PHE  13 -11.632  -1.091  -4.180
   88    HB2  PHE  13           HB2      PHE  13 -12.060  -1.437  -1.783
   89    HB3  PHE  13           HB1      PHE  13 -11.210  -2.972  -1.843
   90    HD1  PHE  13           HD1      PHE  13 -10.854   0.667  -1.868
   91    HD2  PHE  13           HD2      PHE  13  -8.789  -3.051  -1.926
   92    HE1  PHE  13           HE1      PHE  13  -8.752   1.831  -1.339
   93    HE2  PHE  13           HE2      PHE  13  -6.687  -1.897  -1.390
   94    HZ   PHE  13           HZ       PHE  13  -6.656   0.527  -1.088
   95    H    ASP  14           HN       ASP  14 -11.259  -4.552  -3.869
   96    HA   ASP  14           HA       ASP  14  -8.622  -4.960  -4.558
   97    HB2  ASP  14           HB2      ASP  14  -9.811  -6.845  -3.853
   98    HB3  ASP  14           HB1      ASP  14 -11.142  -6.533  -4.956
   99    H    THR  15           HN       THR  15 -11.348  -4.276  -6.649
  100    HA   THR  15           HA       THR  15  -9.694  -4.800  -9.009
  101    HB   THR  15           HB       THR  15 -12.665  -4.289  -8.916
  102    HG1  THR  15           HG1      THR  15 -11.393  -6.351  -7.941
  103   HG21  THR  15          HG21      THR  15 -10.875  -5.492 -11.028
  104   HG22  THR  15          HG22      THR  15 -11.673  -3.922 -11.108
  105   HG23  THR  15          HG23      THR  15 -12.632  -5.402 -11.115
  106    H    GLU  16           HN       GLU  16 -11.608  -2.225  -7.499
  107    HA   GLU  16           HA       GLU  16 -11.246  -0.530  -9.830
  108    HB2  GLU  16           HB2      GLU  16 -13.420  -0.683  -8.621
  109    HB3  GLU  16           HB1      GLU  16 -12.658   0.079  -7.231
  110    HG2  GLU  16           HG2      GLU  16 -13.843   1.768  -8.381
  111    HG3  GLU  16           HG1      GLU  16 -12.129   2.030  -8.711
  112    H    PHE  17           HN       PHE  17 -10.176  -0.555  -6.427
  113    HA   PHE  17           HA       PHE  17  -8.918   2.052  -6.942
  114    HB2  PHE  17           HB2      PHE  17  -9.844   0.826  -4.346
  115    HB3  PHE  17           HB1      PHE  17  -8.955   2.340  -4.459
  116    HD1  PHE  17           HD1      PHE  17  -9.993   4.270  -5.694
  117    HD2  PHE  17           HD2      PHE  17 -12.174   0.748  -4.706
  118    HE1  PHE  17           HE1      PHE  17 -12.107   5.488  -6.015
  119    HE2  PHE  17           HE2      PHE  17 -14.287   1.961  -5.026
  120    HZ   PHE  17           HZ       PHE  17 -14.256   4.333  -5.680
  121    H    ALA  18           HN       ALA  18  -8.249  -1.161  -5.631
  122    HA   ALA  18           HA       ALA  18  -5.811  -0.604  -4.416
  123    HB1  ALA  18           HB1      ALA  18  -7.087  -2.697  -4.136
  124    HB2  ALA  18           HB2      ALA  18  -5.371  -2.955  -4.445
  125    HB3  ALA  18           HB3      ALA  18  -6.546  -3.205  -5.733
  126    HA   PRO  19           HA       PRO  19  -3.594  -1.855  -8.616
  127    HB2  PRO  19           HB2      PRO  19  -5.648  -0.830 -10.513
  128    HB3  PRO  19           HB1      PRO  19  -4.585  -2.239 -10.656
  129    HG2  PRO  19           HG2      PRO  19  -7.156  -2.565 -10.117
  130    HG3  PRO  19           HG1      PRO  19  -5.936  -3.554  -9.291
  131    HD2  PRO  19           HD2      PRO  19  -7.434  -1.161  -8.282
  132    HD3  PRO  19           HD1      PRO  19  -7.055  -2.683  -7.452
  133    H    ARG  20           HN       ARG  20  -5.675   0.916  -8.131
  134    HA   ARG  20           HA       ARG  20  -4.190   2.747  -9.730
  135    HB2  ARG  20           HB2      ARG  20  -6.046   3.317  -7.410
  136    HB3  ARG  20           HB1      ARG  20  -5.465   4.500  -8.570
  137    HG2  ARG  20           HG2      ARG  20  -6.624   3.266 -10.364
  138    HG3  ARG  20           HG1      ARG  20  -7.265   2.158  -9.148
  139    HD2  ARG  20           HD2      ARG  20  -8.284   4.136  -8.006
  140    HD3  ARG  20           HD1      ARG  20  -7.787   5.115  -9.385
  141    HE   ARG  20           HE       ARG  20  -9.385   2.773 -10.002
  142   HH11  ARG  20          HH11      ARG  20  -9.349   6.222  -9.384
  143   HH12  ARG  20          HH12      ARG  20 -10.895   6.494 -10.119
  144   HH21  ARG  20          HH21      ARG  20 -11.420   3.127 -10.965
  145   HH22  ARG  20          HH22      ARG  20 -12.075   4.737 -11.023
  146    H    ILE  21           HN       ILE  21  -4.185   1.850  -6.329
  147    HA   ILE  21           HA       ILE  21  -2.267   3.783  -5.510
  148    HB   ILE  21           HB       ILE  21  -2.939   1.135  -4.207
  149   HG12  ILE  21          HG12      ILE  21  -4.059   3.894  -3.645
  150   HG13  ILE  21          HG11      ILE  21  -4.910   2.630  -4.527
  151   HG21  ILE  21          HG21      ILE  21  -1.672   3.612  -3.031
  152   HG22  ILE  21          HG22      ILE  21  -0.821   2.125  -3.442
  153   HG23  ILE  21          HG23      ILE  21  -2.040   2.118  -2.169
  154   HD11  ILE  21          HD11      ILE  21  -4.837   1.217  -2.508
  155   HD12  ILE  21          HD12      ILE  21  -5.704   2.731  -2.258
  156   HD13  ILE  21          HD13      ILE  21  -4.065   2.543  -1.637
  157    H    ALA  22           HN       ALA  22  -2.087   0.363  -6.396
  158    HA   ALA  22           HA       ALA  22   0.605  -0.054  -5.794
  159    HB1  ALA  22           HB1      ALA  22   0.436  -2.050  -7.144
  160    HB2  ALA  22           HB2      ALA  22  -1.020  -1.433  -7.920
  161    HB3  ALA  22           HB3      ALA  22  -1.042  -1.840  -6.203
  162    H    ARG  23           HN       ARG  23  -0.899   0.926  -8.859
  163    HA   ARG  23           HA       ARG  23   1.540   0.907 -10.313
  164    HB2  ARG  23           HB2      ARG  23   0.304   1.973 -12.095
  165    HB3  ARG  23           HB1      ARG  23  -0.704   0.729 -11.372
  166    HG2  ARG  23           HG2      ARG  23  -1.818   2.519 -10.040
  167    HG3  ARG  23           HG1      ARG  23  -0.908   3.703 -10.979
  168    HD2  ARG  23           HD2      ARG  23  -1.915   2.752 -13.042
  169    HD3  ARG  23           HD1      ARG  23  -2.905   1.702 -12.027
  170    HE   ARG  23           HE       ARG  23  -3.063   4.571 -11.539
  171   HH11  ARG  23          HH11      ARG  23  -4.551   1.711 -12.935
  172   HH12  ARG  23          HH12      ARG  23  -6.110   2.459 -13.086
  173   HH21  ARG  23          HH21      ARG  23  -5.102   5.534 -11.735
  174   HH22  ARG  23          HH22      ARG  23  -6.422   4.630 -12.414
  175    H    ALA  24           HN       ALA  24  -0.187   3.357  -8.481
  176    HA   ALA  24           HA       ALA  24   1.321   5.582  -9.363
  177    HB1  ALA  24           HB1      ALA  24  -0.192   5.224  -6.779
  178    HB2  ALA  24           HB2      ALA  24  -0.870   5.811  -8.298
  179    HB3  ALA  24           HB3      ALA  24   0.359   6.756  -7.458
  180    H    ILE  25           HN       ILE  25   1.654   3.357  -6.644
  181    HA   ILE  25           HA       ILE  25   3.767   4.725  -5.354
  182    HB   ILE  25           HB       ILE  25   2.980   1.805  -5.259
  183   HG12  ILE  25          HG12      ILE  25   1.255   3.343  -4.416
  184   HG13  ILE  25          HG11      ILE  25   1.948   2.390  -3.108
  185   HG21  ILE  25          HG21      ILE  25   4.332   1.639  -3.238
  186   HG22  ILE  25          HG22      ILE  25   4.848   3.314  -3.434
  187   HG23  ILE  25          HG23      ILE  25   5.324   2.099  -4.622
  188   HD11  ILE  25          HD11      ILE  25   1.653   4.641  -2.365
  189   HD12  ILE  25          HD12      ILE  25   2.532   5.268  -3.759
  190   HD13  ILE  25          HD13      ILE  25   3.382   4.328  -2.532
  191    H    ALA  26           HN       ALA  26   3.710   1.998  -7.614
  192    HA   ALA  26           HA       ALA  26   6.459   1.502  -7.684
  193    HB1  ALA  26           HB1      ALA  26   4.411   1.064  -9.852
  194    HB2  ALA  26           HB2      ALA  26   4.810  -0.062  -8.555
  195    HB3  ALA  26           HB3      ALA  26   6.013   0.329  -9.784
  196    H    ASP  27           HN       ASP  27   4.453   3.660  -9.635
  197    HA   ASP  27           HA       ASP  27   6.566   4.476 -11.359
  198    HB2  ASP  27           HB2      ASP  27   4.188   4.629 -12.004
  199    HB3  ASP  27           HB1      ASP  27   3.940   5.855 -10.767
  200    H    LEU  28           HN       LEU  28   5.357   5.559  -8.291
  201    HA   LEU  28           HA       LEU  28   6.605   8.122  -8.280
  202    HB2  LEU  28           HB2      LEU  28   4.681   7.567  -6.848
  203    HB3  LEU  28           HB1      LEU  28   5.641   6.367  -6.013
  204    HG   LEU  28           HG       LEU  28   7.133   8.221  -5.215
  205   HD11  LEU  28          HD11      LEU  28   6.203  10.504  -5.285
  206   HD12  LEU  28          HD12      LEU  28   4.952   9.936  -6.391
  207   HD13  LEU  28          HD13      LEU  28   6.646   9.895  -6.879
  208   HD21  LEU  28          HD21      LEU  28   5.402   7.253  -3.790
  209   HD22  LEU  28          HD22      LEU  28   4.217   8.377  -4.454
  210   HD23  LEU  28          HD23      LEU  28   5.566   8.984  -3.494
  211    H    LEU  29           HN       LEU  29   7.489   4.890  -7.332
  212    HA   LEU  29           HA       LEU  29  10.008   5.700  -6.164
  213    HB2  LEU  29           HB2      LEU  29   8.923   2.949  -6.784
  214    HB3  LEU  29           HB1      LEU  29  10.352   3.292  -5.825
  215    HG   LEU  29           HG       LEU  29   7.543   4.113  -5.094
  216   HD11  LEU  29          HD11      LEU  29   7.773   1.716  -4.975
  217   HD12  LEU  29          HD12      LEU  29   7.744   2.391  -3.347
  218   HD13  LEU  29          HD13      LEU  29   9.272   1.875  -4.062
  219   HD21  LEU  29          HD21      LEU  29  10.159   4.328  -3.618
  220   HD22  LEU  29          HD22      LEU  29   8.578   4.571  -2.878
  221   HD23  LEU  29          HD23      LEU  29   9.126   5.651  -4.159
  222    H    ASN  30           HN       ASN  30   9.218   6.011  -9.120
  223    HA   ASN  30           HA       ASN  30  10.300   6.093 -11.109
  224    HB2  ASN  30           HB2      ASN  30  12.691   5.595  -9.333
  225    HB3  ASN  30           HB1      ASN  30  12.821   5.944 -11.053
  226   HD21  ASN  30          HD21      ASN  30  13.805   7.470  -8.762
  227   HD22  ASN  30          HD22      ASN  30  13.088   9.037  -8.890
  228    H    HIS  31           HN       HIS  31   9.234   3.558 -10.087
  229    HA   HIS  31           HA       HIS  31   9.031   1.401 -10.735
  230    HB2  HIS  31           HB2      HIS  31  10.617   2.363 -13.131
  231    HB3  HIS  31           HB1      HIS  31   9.808   0.803 -13.031
  232    HD1  HIS  31           HD1      HIS  31   7.257   0.768 -13.316
  233    HD2  HIS  31           HD2      HIS  31   8.900   4.581 -13.458
  234    HE1  HIS  31           HE1      HIS  31   5.419   2.266 -14.155
  235    HE2  HIS  31           HE2      HIS  31   6.368   4.600 -13.985
  236    H    ARG  32           HN       ARG  32  11.292   2.185  -9.056
  237    HA   ARG  32           HA       ARG  32  13.291   0.173  -9.768
  238    HB2  ARG  32           HB2      ARG  32  13.222   2.248  -7.573
  239    HB3  ARG  32           HB1      ARG  32  14.520   1.079  -7.774
  240    HG2  ARG  32           HG2      ARG  32  13.714   3.147  -9.809
  241    HG3  ARG  32           HG1      ARG  32  15.087   3.274  -8.704
  242    HD2  ARG  32           HD2      ARG  32  16.067   1.267  -9.704
  243    HD3  ARG  32           HD1      ARG  32  14.695   1.144 -10.802
  244    HE   ARG  32           HE       ARG  32  15.677   3.645 -11.241
  245   HH11  ARG  32          HH11      ARG  32  17.031   0.421 -11.323
  246   HH12  ARG  32          HH12      ARG  32  18.201   0.806 -12.543
  247   HH21  ARG  32          HH21      ARG  32  17.196   4.152 -12.860
  248   HH22  ARG  32          HH22      ARG  32  18.296   2.931 -13.415
  249    H    ALA  33           HN       ALA  33  10.447   0.355  -8.138
  250    HA   ALA  33           HA       ALA  33  11.098  -2.040  -6.572
  251    HB1  ALA  33           HB1      ALA  33   9.525  -1.319  -4.845
  252    HB2  ALA  33           HB2      ALA  33   9.230   0.176  -5.730
  253    HB3  ALA  33           HB3      ALA  33  10.823  -0.143  -5.046
  254    H    HIS  34           HN       HIS  34   9.386  -3.555  -6.392
  255    HA   HIS  34           HA       HIS  34   7.401  -3.298  -8.558
  256    HB2  HIS  34           HB2      HIS  34   9.080  -5.140  -8.807
  257    HB3  HIS  34           HB1      HIS  34   8.518  -5.820  -7.286
  258    HD1  HIS  34           HD1      HIS  34   7.690  -5.599 -10.899
  259    HD2  HIS  34           HD2      HIS  34   5.953  -7.044  -7.405
  260    HE1  HIS  34           HE1      HIS  34   5.820  -7.106 -11.643
  261    HE2  HIS  34           HE2      HIS  34   4.887  -8.086  -9.514
  262    H    THR  35           HN       THR  35   5.289  -3.351  -8.025
  263    HA   THR  35           HA       THR  35   4.659  -3.891  -5.203
  264    HB   THR  35           HB       THR  35   2.639  -2.468  -5.598
  265    HG1  THR  35           HG1      THR  35   3.027  -1.008  -7.543
  266   HG21  THR  35          HG21      THR  35   3.840  -0.354  -5.474
  267   HG22  THR  35          HG22      THR  35   5.282  -1.113  -6.150
  268   HG23  THR  35          HG23      THR  35   4.701  -1.591  -4.555
  269    H    ASP  36           HN       ASP  36   3.007  -5.270  -4.689
  270    HA   ASP  36           HA       ASP  36   1.710  -6.650  -6.942
  271    HB2  ASP  36           HB2      ASP  36   3.518  -8.056  -5.978
  272    HB3  ASP  36           HB1      ASP  36   2.730  -7.960  -4.407
  273    H    VAL  37           HN       VAL  37  -0.412  -6.809  -6.816
  274    HA   VAL  37           HA       VAL  37  -1.743  -5.682  -4.482
  275    HB   VAL  37           HB       VAL  37  -2.921  -6.500  -7.145
  276   HG11  VAL  37          HG11      VAL  37  -4.559  -6.487  -5.328
  277   HG12  VAL  37          HG12      VAL  37  -4.859  -5.180  -6.472
  278   HG13  VAL  37          HG13      VAL  37  -4.096  -4.835  -4.921
  279   HG21  VAL  37          HG21      VAL  37  -2.956  -4.113  -7.668
  280   HG22  VAL  37          HG22      VAL  37  -1.309  -4.681  -7.396
  281   HG23  VAL  37          HG23      VAL  37  -2.143  -3.761  -6.143
  282    H    VAL  38           HN       VAL  38  -1.949  -7.156  -2.912
  283    HA   VAL  38           HA       VAL  38  -2.893  -9.844  -3.559
  284    HB   VAL  38           HB       VAL  38  -2.268  -8.735  -0.823
  285   HG11  VAL  38          HG11      VAL  38  -2.369 -11.558  -1.859
  286   HG12  VAL  38          HG12      VAL  38  -3.590 -10.778  -0.853
  287   HG13  VAL  38          HG13      VAL  38  -1.973 -11.070  -0.211
  288   HG21  VAL  38          HG21      VAL  38  -0.298  -8.486  -2.239
  289   HG22  VAL  38          HG22      VAL  38  -0.404 -10.188  -2.690
  290   HG23  VAL  38          HG23      VAL  38  -0.055  -9.738  -1.021
  291    H    GLY  39           HN       GLY  39  -4.994  -9.400  -4.205
  292    HA2  GLY  39           HA2      GLY  39  -6.679  -7.846  -2.387
  293    HA3  GLY  39           HA1      GLY  39  -7.057  -8.244  -4.058
  294    H    TYR  40           HN       TYR  40  -9.067  -9.059  -3.607
  295    HA   TYR  40           HA       TYR  40  -9.358 -11.083  -1.547
  296    HB2  TYR  40           HB2      TYR  40 -11.053  -9.253  -1.895
  297    HB3  TYR  40           HB1      TYR  40 -11.463 -10.006  -3.439
  298    HD1  TYR  40           HD1      TYR  40 -11.489 -10.485   0.226
  299    HD2  TYR  40           HD2      TYR  40 -12.892 -11.922  -3.528
  300    HE1  TYR  40           HE1      TYR  40 -13.072 -11.959   1.389
  301    HE2  TYR  40           HE2      TYR  40 -14.482 -13.399  -2.367
  302    HH   TYR  40           HH       TYR  40 -14.697 -14.481  -0.148
  303    H    GLY  41           HN       GLY  41  -8.810 -13.092  -2.034
  304    HA2  GLY  41           HA2      GLY  41  -9.973 -14.282  -4.456
  305    HA3  GLY  41           HA1      GLY  41  -8.245 -14.477  -4.164
  306    H    GLY  42           HN       GLY  42  -9.885 -14.338  -1.262
  307    HA2  GLY  42           HA2      GLY  42 -11.108 -16.240  -0.250
  308    HA3  GLY  42           HA1      GLY  42  -9.981 -17.287  -1.106
  309    H    HIS  43           HN       HIS  43  -7.577 -16.145  -0.646
  310    HA   HIS  43           HA       HIS  43  -7.146 -16.800   2.143
  311    HB2  HIS  43           HB2      HIS  43  -5.181 -15.906   0.005
  312    HB3  HIS  43           HB1      HIS  43  -4.743 -16.464   1.615
  313    HD1  HIS  43           HD1      HIS  43  -4.005 -18.806   1.648
  314    HD2  HIS  43           HD2      HIS  43  -6.753 -18.113  -1.394
  315    HE1  HIS  43           HE1      HIS  43  -4.218 -20.988   0.418
  316    HE2  HIS  43           HE2      HIS  43  -5.784 -20.505  -1.497
  317    H    GLY  44           HN       GLY  44  -6.757 -14.012   0.023
  318    HA2  GLY  44           HA2      GLY  44  -6.305 -12.279   2.328
  319    HA3  GLY  44           HA1      GLY  44  -6.149 -11.824   0.638
  320    H    HIS  45           HN       HIS  45  -8.079 -11.619   3.357
  321    HA   HIS  45           HA       HIS  45 -10.531 -11.214   1.854
  322    HB2  HIS  45           HB2      HIS  45 -10.547 -12.330   4.113
  323    HB3  HIS  45           HB1      HIS  45 -10.123 -10.778   4.819
  324    HD1  HIS  45           HD1      HIS  45 -12.952 -12.624   3.238
  325    HD2  HIS  45           HD2      HIS  45 -12.201  -8.898   4.926
  326    HE1  HIS  45           HE1      HIS  45 -15.207 -11.552   3.541
  327    HE2  HIS  45           HE2      HIS  45 -14.720  -9.250   4.447
  328    HA   PRO  46           HA       PRO  46  -9.516  -6.713   2.797
  329    HB2  PRO  46           HB2      PRO  46  -7.269  -6.210   4.402
  330    HB3  PRO  46           HB1      PRO  46  -8.954  -6.187   4.940
  331    HG2  PRO  46           HG2      PRO  46  -6.949  -8.012   5.735
  332    HG3  PRO  46           HG1      PRO  46  -8.684  -8.139   6.064
  333    HD2  PRO  46           HD2      PRO  46  -7.052  -9.459   3.949
  334    HD3  PRO  46           HD1      PRO  46  -8.480 -10.057   4.814
  335    H    THR  47           HN       THR  47  -8.647  -5.737   1.059
  336    HA   THR  47           HA       THR  47  -6.522  -6.876  -0.399
  337    HB   THR  47           HB       THR  47  -7.581  -4.059  -0.675
  338    HG1  THR  47           HG1      THR  47  -8.711  -6.544  -1.293
  339   HG21  THR  47          HG21      THR  47  -6.978  -4.345  -3.042
  340   HG22  THR  47          HG22      THR  47  -6.365  -5.958  -2.695
  341   HG23  THR  47          HG23      THR  47  -5.569  -4.547  -2.001
  342    H    GLN  48           HN       GLN  48  -4.394  -6.340  -0.579
  343    HA   GLN  48           HA       GLN  48  -3.357  -4.089   0.968
  344    HB2  GLN  48           HB2      GLN  48  -1.617  -5.451   2.011
  345    HB3  GLN  48           HB1      GLN  48  -3.207  -6.044   2.469
  346    HG2  GLN  48           HG2      GLN  48  -3.017  -7.845   0.844
  347    HG3  GLN  48           HG1      GLN  48  -1.441  -7.238   0.346
  348   HE21  GLN  48          HE21      GLN  48  -3.220  -8.898   2.829
  349   HE22  GLN  48          HE22      GLN  48  -1.846  -9.458   3.718
  350    H    VAL  49           HN       VAL  49  -1.428  -3.257   0.143
  351    HA   VAL  49           HA       VAL  49  -0.474  -4.572  -2.307
  352    HB   VAL  49           HB       VAL  49  -1.547  -2.473  -2.895
  353   HG11  VAL  49          HG11      VAL  49  -1.333  -1.275  -0.791
  354   HG12  VAL  49          HG12      VAL  49  -0.667  -0.317  -2.113
  355   HG13  VAL  49          HG13      VAL  49   0.413  -1.167  -1.009
  356   HG21  VAL  49          HG21      VAL  49   1.458  -2.289  -3.077
  357   HG22  VAL  49          HG22      VAL  49   0.307  -1.410  -4.082
  358   HG23  VAL  49          HG23      VAL  49   0.401  -3.169  -4.182
  359    H    ARG  50           HN       ARG  50   1.470  -5.363  -2.143
  360    HA   ARG  50           HA       ARG  50   3.219  -4.320  -0.040
  361    HB2  ARG  50           HB2      ARG  50   4.459  -6.473  -0.298
  362    HB3  ARG  50           HB1      ARG  50   2.800  -6.647   0.252
  363    HG2  ARG  50           HG2      ARG  50   2.162  -7.179  -2.103
  364    HG3  ARG  50           HG1      ARG  50   3.884  -7.195  -2.496
  365    HD2  ARG  50           HD2      ARG  50   2.991  -9.452  -2.044
  366    HD3  ARG  50           HD1      ARG  50   4.272  -8.986  -0.926
  367    HE   ARG  50           HE       ARG  50   1.912  -8.279   0.310
  368   HH11  ARG  50          HH11      ARG  50   3.337 -11.229  -0.901
  369   HH12  ARG  50          HH12      ARG  50   2.540 -12.241   0.259
  370   HH21  ARG  50          HH21      ARG  50   0.850  -9.598   1.844
  371   HH22  ARG  50          HH22      ARG  50   1.117 -11.315   1.819
  372    H    ILE  51           HN       ILE  51   5.237  -3.652  -0.399
  373    HA   ILE  51           HA       ILE  51   5.984  -3.190  -3.205
  374    HB   ILE  51           HB       ILE  51   7.002  -1.681  -0.789
  375   HG12  ILE  51          HG12      ILE  51   4.795  -0.817  -2.670
  376   HG13  ILE  51          HG11      ILE  51   4.509  -1.475  -1.062
  377   HG21  ILE  51          HG21      ILE  51   7.665  -0.013  -2.451
  378   HG22  ILE  51          HG22      ILE  51   7.001  -1.021  -3.737
  379   HG23  ILE  51          HG23      ILE  51   8.390  -1.581  -2.804
  380   HD11  ILE  51          HD11      ILE  51   4.372   0.935  -1.033
  381   HD12  ILE  51          HD12      ILE  51   5.995   1.059  -1.712
  382   HD13  ILE  51          HD13      ILE  51   5.763   0.394  -0.096
  383    H    VAL  52           HN       VAL  52   7.533  -4.500  -3.868
  384    HA   VAL  52           HA       VAL  52   9.541  -5.443  -1.934
  385    HB   VAL  52           HB       VAL  52   8.640  -6.822  -4.476
  386   HG11  VAL  52          HG11      VAL  52   9.912  -8.735  -3.656
  387   HG12  VAL  52          HG12      VAL  52  10.426  -7.805  -2.251
  388   HG13  VAL  52          HG13      VAL  52  10.953  -7.327  -3.864
  389   HG21  VAL  52          HG21      VAL  52   7.973  -7.483  -1.608
  390   HG22  VAL  52          HG22      VAL  52   7.526  -8.437  -3.021
  391   HG23  VAL  52          HG23      VAL  52   6.862  -6.818  -2.805
  392    H    ALA  53           HN       ALA  53  11.647  -5.124  -2.397
  393    HA   ALA  53           HA       ALA  53  12.254  -3.674  -4.878
  394    HB1  ALA  53           HB1      ALA  53  14.253  -2.861  -3.697
  395    HB2  ALA  53           HB2      ALA  53  13.758  -3.767  -2.267
  396    HB3  ALA  53           HB3      ALA  53  12.761  -2.439  -2.858
  397    HA   PRO  54           HA       PRO  54  14.410  -7.556  -5.838
  398    HB2  PRO  54           HB2      PRO  54  14.455  -7.172  -8.523
  399    HB3  PRO  54           HB1      PRO  54  13.035  -7.800  -7.674
  400    HG2  PRO  54           HG2      PRO  54  13.573  -5.049  -8.697
  401    HG3  PRO  54           HG1      PRO  54  12.057  -5.966  -8.683
  402    HD2  PRO  54           HD2      PRO  54  12.702  -3.992  -6.877
  403    HD3  PRO  54           HD1      PRO  54  11.540  -5.294  -6.560
  404    H    HIS  55           HN       HIS  55  16.545  -7.925  -6.263
  405    HA   HIS  55           HA       HIS  55  18.763  -7.473  -6.308
  406    HB2  HIS  55           HB2      HIS  55  17.764  -5.497  -8.338
  407    HB3  HIS  55           HB1      HIS  55  19.468  -5.568  -7.906
  408    HD1  HIS  55           HD1      HIS  55  20.744  -7.796  -8.515
  409    HD2  HIS  55           HD2      HIS  55  16.897  -7.456 -10.062
  410    HE1  HIS  55           HE1      HIS  55  20.591  -9.510 -10.349
  411    HE2  HIS  55           HE2      HIS  55  18.331  -9.142 -11.396
  412    H    ALA  56           HN       ALA  56  17.712  -6.585  -4.055
  413    HA   ALA  56           HA       ALA  56  18.294  -3.800  -3.593
  414    HB1  ALA  56           HB1      ALA  56  17.777  -4.286  -1.259
  415    HB2  ALA  56           HB2      ALA  56  17.736  -6.012  -1.619
  416    HB3  ALA  56           HB3      ALA  56  16.533  -4.934  -2.328
  417    H    GLU  57           HN       GLU  57  20.467  -4.540  -4.693
  418    HA   GLU  57           HA       GLU  57  22.404  -5.327  -2.625
  419    HB2  GLU  57           HB2      GLU  57  23.846  -5.981  -4.575
  420    HB3  GLU  57           HB1      GLU  57  22.376  -6.928  -4.405
  421    HG2  GLU  57           HG2      GLU  57  21.327  -5.455  -6.131
  422    HG3  GLU  57           HG1      GLU  57  22.914  -4.727  -6.383
  423    H    HIS  58           HN       HIS  58  24.716  -4.497  -3.446
  424    HA   HIS  58           HA       HIS  58  26.107  -2.716  -3.342
  425    HB2  HIS  58           HB2      HIS  58  25.296  -2.334  -5.676
  426    HB3  HIS  58           HB1      HIS  58  24.038  -1.283  -5.038
  427    HD1  HIS  58           HD1      HIS  58  27.779  -1.458  -5.483
  428    HD2  HIS  58           HD2      HIS  58  24.848   1.312  -4.479
  429    HE1  HIS  58           HE1      HIS  58  28.941   0.767  -5.415
  430    HE2  HIS  58           HE2      HIS  58  27.181   2.405  -4.683
  431    H    VAL  59           HN       VAL  59  24.933  -3.037  -1.114
  432    HA   VAL  59           HA       VAL  59  24.416  -0.350  -0.153
  433    HB   VAL  59           HB       VAL  59  22.168  -1.163  -0.639
  434   HG11  VAL  59          HG11      VAL  59  21.229  -3.100   0.544
  435   HG12  VAL  59          HG12      VAL  59  22.825  -3.459   1.202
  436   HG13  VAL  59          HG13      VAL  59  22.546  -3.554  -0.537
  437   HG21  VAL  59          HG21      VAL  59  21.162  -0.802   1.528
  438   HG22  VAL  59          HG22      VAL  59  22.549   0.268   1.327
  439   HG23  VAL  59          HG23      VAL  59  22.686  -1.176   2.329
  440    H    ARG  60           HN       ARG  60  25.275  -0.029   1.829
  441    HA   ARG  60           HA       ARG  60  26.239  -2.406   3.270
  442    HB2  ARG  60           HB2      ARG  60  28.261  -1.065   3.896
  443    HB3  ARG  60           HB1      ARG  60  28.153  -1.439   2.180
  444    HG2  ARG  60           HG2      ARG  60  27.223   0.846   1.817
  445    HG3  ARG  60           HG1      ARG  60  27.550   1.190   3.517
  446    HD2  ARG  60           HD2      ARG  60  29.349   2.021   2.083
  447    HD3  ARG  60           HD1      ARG  60  29.926   0.745   3.155
  448    HE   ARG  60           HE       ARG  60  29.103  -0.082   0.492
  449   HH11  ARG  60          HH11      ARG  60  31.739   0.808   2.613
  450   HH12  ARG  60          HH12      ARG  60  32.951   0.036   1.642
  451   HH21  ARG  60          HH21      ARG  60  30.696  -1.086  -0.797
  452   HH22  ARG  60          HH22      ARG  60  32.357  -1.045  -0.299
  453    H    GLY  61           HN       GLY  61  23.833  -0.844   3.631
  454    HA2  GLY  61           HA2      GLY  61  24.350   0.393   6.254
  455    HA3  GLY  61           HA1      GLY  61  22.922   0.681   5.266
  456    H    TYR  62           HN       TYR  62  21.340  -1.011   5.088
  457    HA   TYR  62           HA       TYR  62  21.385  -2.855   7.380
  458    HB2  TYR  62           HB2      TYR  62  18.977  -2.219   5.660
  459    HB3  TYR  62           HB1      TYR  62  18.997  -2.937   7.267
  460    HD1  TYR  62           HD2      TYR  62  20.251  -1.331   9.063
  461    HD2  TYR  62           HD1      TYR  62  18.238  -0.024   5.545
  462    HE1  TYR  62           HE2      TYR  62  19.918   0.883  10.081
  463    HE2  TYR  62           HE1      TYR  62  17.905   2.193   6.558
  464    HH   TYR  62           HH       TYR  62  19.527   3.205   9.346
  465    H    ALA  63           HN       ALA  63  21.128  -5.065   7.046
  466    HA   ALA  63           HA       ALA  63  21.578  -5.947   4.290
  467    HB1  ALA  63           HB1      ALA  63  21.875  -7.469   6.876
  468    HB2  ALA  63           HB2      ALA  63  23.180  -6.703   5.971
  469    HB3  ALA  63           HB3      ALA  63  22.300  -8.061   5.269
  470    H    HIS  64           HN       HIS  64  19.046  -5.139   4.573
  471    HA   HIS  64           HA       HIS  64  17.543  -7.639   4.464
  472    HB2  HIS  64           HB2      HIS  64  16.679  -5.235   6.095
  473    HB3  HIS  64           HB1      HIS  64  15.661  -6.628   5.738
  474    HD1  HIS  64           HD1      HIS  64  16.275  -8.872   6.938
  475    HD2  HIS  64           HD2      HIS  64  18.490  -5.576   8.162
  476    HE1  HIS  64           HE1      HIS  64  17.381  -9.561   9.089
  477    HE2  HIS  64           HE2      HIS  64  18.833  -7.607   9.729
  478    HA   PRO  65           HA       PRO  65  16.223  -5.470   0.757
  479    HB2  PRO  65           HB2      PRO  65  14.499  -7.431  -0.065
  480    HB3  PRO  65           HB1      PRO  65  16.239  -7.474  -0.356
  481    HG2  PRO  65           HG2      PRO  65  14.635  -8.852   1.754
  482    HG3  PRO  65           HG1      PRO  65  15.997  -9.467   0.801
  483    HD2  PRO  65           HD2      PRO  65  16.282  -8.635   3.351
  484    HD3  PRO  65           HD1      PRO  65  17.566  -8.436   2.143
  485    H    LEU  66           HN       LEU  66  14.382  -4.329   0.165
  486    HA   LEU  66           HA       LEU  66  12.585  -3.771   2.306
  487    HB2  LEU  66           HB2      LEU  66  13.530  -2.217   0.431
  488    HB3  LEU  66           HB1      LEU  66  12.167  -2.805  -0.498
  489    HG   LEU  66           HG       LEU  66  11.871  -1.460   2.187
  490   HD11  LEU  66          HD11      LEU  66  11.676  -0.257  -0.568
  491   HD12  LEU  66          HD12      LEU  66  12.925   0.080   0.633
  492   HD13  LEU  66          HD13      LEU  66  11.253   0.549   0.943
  493   HD21  LEU  66          HD21      LEU  66   9.906  -2.018  -0.032
  494   HD22  LEU  66          HD22      LEU  66   9.559  -1.118   1.445
  495   HD23  LEU  66          HD23      LEU  66   9.972  -2.830   1.532
  496    H    ASN  67           HN       ASN  67  10.777  -4.742   2.764
  497    HA   ASN  67           HA       ASN  67   9.008  -5.719   0.667
  498    HB2  ASN  67           HB2      ASN  67  10.387  -7.706   1.363
  499    HB3  ASN  67           HB1      ASN  67   9.782  -7.494   3.006
  500   HD21  ASN  67          HD21      ASN  67   7.501  -7.745   3.362
  501   HD22  ASN  67          HD22      ASN  67   6.565  -8.766   2.324
  502    H    LEU  68           HN       LEU  68   7.504  -4.225   1.166
  503    HA   LEU  68           HA       LEU  68   6.633  -4.015   3.977
  504    HB2  LEU  68           HB2      LEU  68   7.665  -1.956   3.253
  505    HB3  LEU  68           HB1      LEU  68   6.719  -1.944   1.776
  506    HG   LEU  68           HG       LEU  68   4.664  -1.677   3.216
  507   HD11  LEU  68          HD11      LEU  68   5.522  -2.459   5.320
  508   HD12  LEU  68          HD12      LEU  68   5.044  -0.770   5.478
  509   HD13  LEU  68          HD13      LEU  68   6.749  -1.192   5.334
  510   HD21  LEU  68          HD21      LEU  68   5.022   0.714   3.560
  511   HD22  LEU  68          HD22      LEU  68   5.660   0.183   2.004
  512   HD23  LEU  68          HD23      LEU  68   6.758   0.485   3.350
  513    H    ALA  69           HN       ALA  69   4.538  -4.439   4.399
  514    HA   ALA  69           HA       ALA  69   2.708  -4.623   2.096
  515    HB1  ALA  69           HB1      ALA  69   2.476  -6.053   4.737
  516    HB2  ALA  69           HB2      ALA  69   3.104  -6.764   3.251
  517    HB3  ALA  69           HB3      ALA  69   1.419  -6.247   3.340
  518    H    LEU  70           HN       LEU  70   1.349  -3.006   1.967
  519    HA   LEU  70           HA       LEU  70   0.653  -1.471   4.354
  520    HB2  LEU  70           HB2      LEU  70   0.149  -0.979   1.411
  521    HB3  LEU  70           HB1      LEU  70  -0.363   0.103   2.692
  522    HG   LEU  70           HG       LEU  70   2.530  -0.603   2.166
  523   HD11  LEU  70          HD11      LEU  70   1.607   0.507   0.219
  524   HD12  LEU  70          HD12      LEU  70   2.695   1.583   1.095
  525   HD13  LEU  70          HD13      LEU  70   0.948   1.786   1.239
  526   HD21  LEU  70          HD21      LEU  70   1.216   1.578   3.785
  527   HD22  LEU  70          HD22      LEU  70   2.948   1.421   3.499
  528   HD23  LEU  70          HD23      LEU  70   2.093   0.186   4.423
  529    H    THR  71           HN       THR  71  -1.123  -2.073   5.440
  530    HA   THR  71           HA       THR  71  -3.397  -3.090   3.864
  531    HB   THR  71           HB       THR  71  -4.126  -4.333   5.869
  532    HG1  THR  71           HG1      THR  71  -1.775  -3.176   6.972
  533   HG21  THR  71          HG21      THR  71  -2.748  -5.541   4.281
  534   HG22  THR  71          HG22      THR  71  -2.330  -6.038   5.919
  535   HG23  THR  71          HG23      THR  71  -1.280  -4.926   5.040
  536    H    TRP  72           HN       TRP  72  -5.481  -2.358   4.492
  537    HA   TRP  72           HA       TRP  72  -5.472  -0.029   6.285
  538    HB2  TRP  72           HB2      TRP  72  -6.791  -0.256   3.570
  539    HB3  TRP  72           HB1      TRP  72  -7.169   1.016   4.733
  540    HD1  TRP  72           HD1      TRP  72  -5.195   2.816   5.242
  541    HE1  TRP  72           HE1      TRP  72  -3.227   3.608   3.787
  542    HE3  TRP  72           HE3      TRP  72  -5.133  -0.985   1.818
  543    HZ2  TRP  72           HZ2      TRP  72  -1.842   2.747   1.491
  544    HZ3  TRP  72           HZ3      TRP  72  -3.452  -0.918   0.021
  545    HH2  TRP  72           HH2      TRP  72  -1.842   0.912  -0.133
  546    H    ASN  73           HN       ASN  73  -7.332   0.354   7.433
  547    HA   ASN  73           HA       ASN  73  -8.765  -1.863   8.340
  548    HB2  ASN  73           HB2      ASN  73  -9.366   1.094   8.541
  549    HB3  ASN  73           HB1      ASN  73 -10.256  -0.145   9.422
  550   HD21  ASN  73          HD21      ASN  73  -8.562   2.090  10.362
  551   HD22  ASN  73          HD22      ASN  73  -7.369   1.357  11.377
  552    H    THR  74           HN       THR  74 -10.582  -2.827   7.720
  553    HA   THR  74           HA       THR  74 -11.596  -2.526   5.142
  554    HB   THR  74           HB       THR  74 -13.034  -3.813   7.471
  555    HG1  THR  74           HG1      THR  74 -11.881  -5.720   6.316
  556   HG21  THR  74          HG21      THR  74 -14.374  -3.538   5.412
  557   HG22  THR  74          HG22      THR  74 -14.049  -5.231   5.776
  558   HG23  THR  74          HG23      THR  74 -13.136  -4.413   4.510
  559    H    ASP  75           HN       ASP  75 -12.564  -1.031   8.137
  560    HA   ASP  75           HA       ASP  75 -15.090  -0.063   7.376
  561    HB2  ASP  75           HB2      ASP  75 -13.046   1.086   9.292
  562    HB3  ASP  75           HB1      ASP  75 -14.703   1.664   9.146
  563    H    GLU  76           HN       GLU  76 -11.880   1.426   7.199
  564    HA   GLU  76           HA       GLU  76 -12.550   3.756   5.833
  565    HB2  GLU  76           HB2      GLU  76 -10.044   2.084   5.603
  566    HB3  GLU  76           HB1      GLU  76 -10.215   3.721   4.988
  567    HG2  GLU  76           HG2      GLU  76 -10.495   2.927   7.870
  568    HG3  GLU  76           HG1      GLU  76  -9.045   3.608   7.142
  569    H    ILE  77           HN       ILE  77 -11.643   0.580   4.549
  570    HA   ILE  77           HA       ILE  77 -11.800   1.158   1.828
  571    HB   ILE  77           HB       ILE  77 -12.469  -1.444   3.218
  572   HG12  ILE  77          HG12      ILE  77  -9.853  -0.444   2.053
  573   HG13  ILE  77          HG11      ILE  77 -10.216  -0.629   3.767
  574   HG21  ILE  77          HG21      ILE  77 -11.911  -2.506   1.073
  575   HG22  ILE  77          HG22      ILE  77 -11.722  -0.912   0.345
  576   HG23  ILE  77          HG23      ILE  77 -13.301  -1.429   0.935
  577   HD11  ILE  77          HD11      ILE  77 -10.098  -2.869   1.755
  578   HD12  ILE  77          HD12      ILE  77 -10.397  -3.036   3.484
  579   HD13  ILE  77          HD13      ILE  77  -8.833  -2.454   2.913
  580    H    GLU  78           HN       GLU  78 -14.313   0.100   4.070
  581    HA   GLU  78           HA       GLU  78 -16.438  -0.141   2.256
  582    HB2  GLU  78           HB2      GLU  78 -16.536  -0.995   4.548
  583    HB3  GLU  78           HB1      GLU  78 -16.430   0.639   5.183
  584    HG2  GLU  78           HG2      GLU  78 -18.601   1.154   4.130
  585    HG3  GLU  78           HG1      GLU  78 -18.709  -0.526   3.602
  586    H    ARG  79           HN       ARG  79 -15.190   2.590   4.081
  587    HA   ARG  79           HA       ARG  79 -17.213   4.435   3.445
  588    HB2  ARG  79           HB2      ARG  79 -15.537   4.662   5.289
  589    HB3  ARG  79           HB1      ARG  79 -14.316   5.018   4.079
  590    HG2  ARG  79           HG2      ARG  79 -15.141   7.051   5.124
  591    HG3  ARG  79           HG1      ARG  79 -15.548   7.012   3.406
  592    HD2  ARG  79           HD2      ARG  79 -17.808   6.328   3.920
  593    HD3  ARG  79           HD1      ARG  79 -17.418   6.221   5.635
  594    HE   ARG  79           HE       ARG  79 -16.836   8.801   4.968
  595   HH11  ARG  79          HH11      ARG  79 -19.666   6.763   4.696
  596   HH12  ARG  79          HH12      ARG  79 -20.787   8.075   4.872
  597   HH21  ARG  79          HH21      ARG  79 -18.312  10.535   5.232
  598   HH22  ARG  79          HH22      ARG  79 -20.018  10.215   5.174
  599    H    LEU  80           HN       LEU  80 -14.411   3.334   1.692
  600    HA   LEU  80           HA       LEU  80 -14.090   5.595   0.011
  601    HB2  LEU  80           HB2      LEU  80 -13.278   2.732  -0.483
  602    HB3  LEU  80           HB1      LEU  80 -12.710   4.123  -1.385
  603    HG   LEU  80           HG       LEU  80 -12.147   3.483   1.510
  604   HD11  LEU  80          HD11      LEU  80 -10.851   2.185  -0.075
  605   HD12  LEU  80          HD12      LEU  80  -9.831   3.366   0.746
  606   HD13  LEU  80          HD13      LEU  80 -10.363   3.660  -0.908
  607   HD21  LEU  80          HD21      LEU  80 -12.403   5.870   1.353
  608   HD22  LEU  80          HD22      LEU  80 -11.414   5.925  -0.103
  609   HD23  LEU  80          HD23      LEU  80 -10.683   5.497   1.441
  610    H    MET  81           HN       MET  81 -16.433   3.165   0.065
  611    HA   MET  81           HA       MET  81 -16.982   3.264  -2.790
  612    HB2  MET  81           HB2      MET  81 -18.394   1.848  -0.522
  613    HB3  MET  81           HB1      MET  81 -18.918   1.771  -2.197
  614    HG2  MET  81           HG2      MET  81 -16.288   0.794  -1.097
  615    HG3  MET  81           HG1      MET  81 -17.651  -0.200  -1.621
  616    HE1  MET  81           HE1      MET  81 -18.462  -0.357  -4.175
  617    HE2  MET  81           HE2      MET  81 -17.692   0.525  -5.494
  618    HE3  MET  81           HE3      MET  81 -18.584   1.401  -4.251
  619    H    GLU  82           HN       GLU  82 -17.673   5.125  -0.125
  620    HA   GLU  82           HA       GLU  82 -20.264   6.039  -1.123
  621    HB2  GLU  82           HB2      GLU  82 -18.740   6.685   1.415
  622    HB3  GLU  82           HB1      GLU  82 -20.296   7.384   0.997
  623    HG2  GLU  82           HG2      GLU  82 -19.751   4.458   1.422
  624    HG3  GLU  82           HG1      GLU  82 -20.494   5.545   2.590
  625    H    ALA  83           HN       ALA  83 -20.579   8.502  -1.075
  626    HA   ALA  83           HA       ALA  83 -18.883   9.711  -2.928
  627    HB1  ALA  83           HB1      ALA  83 -21.191  10.422  -2.549
  628    HB2  ALA  83           HB2      ALA  83 -20.073  11.782  -2.449
  629    HB3  ALA  83           HB3      ALA  83 -20.734  11.074  -0.976
  630    H    ASP  84           HN       ASP  84 -19.025  10.184   0.593
  631    HA   ASP  84           HA       ASP  84 -16.875  12.041   0.690
  632    HB2  ASP  84           HB2      ASP  84 -18.129  10.298   2.822
  633    HB3  ASP  84           HB1      ASP  84 -16.834  11.442   3.158
  634    H    GLY  85           HN       GLY  85 -16.987   8.717   0.195
  635    HA2  GLY  85           HA2      GLY  85 -14.491   8.019   1.422
  636    HA3  GLY  85           HA1      GLY  85 -15.417   7.039   0.285
  637    H    ALA  86           HN       ALA  86 -15.542   8.509  -1.959
  638    HA   ALA  86           HA       ALA  86 -13.080   8.378  -3.175
  639    HB1  ALA  86           HB1      ALA  86 -15.208   8.563  -4.377
  640    HB2  ALA  86           HB2      ALA  86 -14.023   9.734  -4.954
  641    HB3  ALA  86           HB3      ALA  86 -15.330  10.253  -3.889
  642    H    ALA  87           HN       ALA  87 -14.542  11.085  -1.446
  643    HA   ALA  87           HA       ALA  87 -12.636  13.047  -2.054
  644    HB1  ALA  87           HB1      ALA  87 -14.788  13.534  -0.985
  645    HB2  ALA  87           HB2      ALA  87 -13.437  14.215  -0.077
  646    HB3  ALA  87           HB3      ALA  87 -14.228  12.744   0.489
  647    H    ARG  88           HN       ARG  88 -12.640  10.495   0.377
  648    HA   ARG  88           HA       ARG  88 -10.276  11.390   1.715
  649    HB2  ARG  88           HB2      ARG  88 -11.700   8.730   1.668
  650    HB3  ARG  88           HB1      ARG  88 -10.232   9.004   2.594
  651    HG2  ARG  88           HG2      ARG  88 -11.414  10.829   3.807
  652    HG3  ARG  88           HG1      ARG  88 -12.893  10.358   2.964
  653    HD2  ARG  88           HD2      ARG  88 -12.773   8.137   3.928
  654    HD3  ARG  88           HD1      ARG  88 -11.240   8.529   4.702
  655    HE   ARG  88           HE       ARG  88 -13.309  10.330   5.476
  656   HH11  ARG  88          HH11      ARG  88 -11.989   7.137   6.088
  657   HH12  ARG  88          HH12      ARG  88 -12.612   7.049   7.703
  658   HH21  ARG  88          HH21      ARG  88 -14.118  10.217   7.607
  659   HH22  ARG  88          HH22      ARG  88 -13.821   8.800   8.566
  660    H    PHE  89           HN       PHE  89 -10.962   9.133  -0.905
  661    HA   PHE  89           HA       PHE  89  -8.413   7.950  -1.048
  662    HB2  PHE  89           HB2      PHE  89 -10.495   7.055  -2.124
  663    HB3  PHE  89           HB1      PHE  89 -10.367   8.334  -3.329
  664    HD1  PHE  89           HD2      PHE  89  -8.587   5.378  -1.948
  665    HD2  PHE  89           HD1      PHE  89  -9.035   8.055  -5.227
  666    HE1  PHE  89           HE2      PHE  89  -7.117   3.955  -3.307
  667    HE2  PHE  89           HE1      PHE  89  -7.562   6.638  -6.587
  668    HZ   PHE  89           HZ       PHE  89  -6.651   4.541  -5.635
  669    H    GLU  90           HN       GLU  90  -9.807  10.720  -2.792
  670    HA   GLU  90           HA       GLU  90  -7.550  11.239  -4.396
  671    HB2  GLU  90           HB2      GLU  90  -9.760  13.058  -3.433
  672    HB3  GLU  90           HB1      GLU  90  -8.526  13.563  -4.577
  673    HG2  GLU  90           HG2      GLU  90 -10.580  11.397  -4.969
  674    HG3  GLU  90           HG1      GLU  90 -10.529  12.972  -5.758
  675    H    ARG  91           HN       ARG  91  -8.508  12.360  -1.201
  676    HA   ARG  91           HA       ARG  91  -6.436  14.264  -0.884
  677    HB2  ARG  91           HB2      ARG  91  -8.525  14.246   0.446
  678    HB3  ARG  91           HB1      ARG  91  -8.002  12.764   1.226
  679    HG2  ARG  91           HG2      ARG  91  -7.639  14.685   2.660
  680    HG3  ARG  91           HG1      ARG  91  -6.105  13.942   2.206
  681    HD2  ARG  91           HD2      ARG  91  -5.992  16.386   2.104
  682    HD3  ARG  91           HD1      ARG  91  -5.751  15.655   0.519
  683    HE   ARG  91           HE       ARG  91  -8.480  16.334   0.930
  684   HH11  ARG  91          HH11      ARG  91  -5.356  17.713   0.168
  685   HH12  ARG  91          HH12      ARG  91  -6.017  19.063  -0.695
  686   HH21  ARG  91          HH21      ARG  91  -9.362  18.115  -0.206
  687   HH22  ARG  91          HH22      ARG  91  -8.300  19.298  -0.905
  688    H    TYR  92           HN       TYR  92  -6.651  10.822  -0.385
  689    HA   TYR  92           HA       TYR  92  -4.294  10.642   1.245
  690    HB2  TYR  92           HB2      TYR  92  -6.175   8.995   1.357
  691    HB3  TYR  92           HB1      TYR  92  -5.742   8.447  -0.258
  692    HD1  TYR  92           HD1      TYR  92  -4.233   8.899   3.131
  693    HD2  TYR  92           HD2      TYR  92  -4.301   6.644  -0.478
  694    HE1  TYR  92           HE1      TYR  92  -2.637   7.302   4.105
  695    HE2  TYR  92           HE2      TYR  92  -2.707   5.040   0.489
  696    HH   TYR  92           HH       TYR  92  -1.947   4.955   3.785
  697    H    LEU  93           HN       LEU  93  -5.061  10.385  -2.168
  698    HA   LEU  93           HA       LEU  93  -2.635   9.259  -3.049
  699    HB2  LEU  93           HB2      LEU  93  -4.448  11.189  -4.508
  700    HB3  LEU  93           HB1      LEU  93  -3.187  10.226  -5.252
  701    HG   LEU  93           HG       LEU  93  -5.682   9.148  -3.934
  702   HD11  LEU  93          HD11      LEU  93  -4.878   9.327  -6.832
  703   HD12  LEU  93          HD12      LEU  93  -6.154  10.250  -6.039
  704   HD13  LEU  93          HD13      LEU  93  -6.307   8.501  -6.212
  705   HD21  LEU  93          HD21      LEU  93  -3.859   7.586  -3.655
  706   HD22  LEU  93          HD22      LEU  93  -3.429   7.733  -5.359
  707   HD23  LEU  93          HD23      LEU  93  -4.958   6.987  -4.896
  708    H    ALA  94           HN       ALA  94  -3.649  12.623  -2.632
  709    HA   ALA  94           HA       ALA  94  -1.213  13.773  -3.501
  710    HB1  ALA  94           HB1      ALA  94  -3.319  15.023  -3.405
  711    HB2  ALA  94           HB2      ALA  94  -2.043  15.830  -2.491
  712    HB3  ALA  94           HB3      ALA  94  -3.295  14.922  -1.644
  713    H    ALA  95           HN       ALA  95  -2.127  12.206  -0.598
  714    HA   ALA  95           HA       ALA  95  -0.061  13.524   0.986
  715    HB1  ALA  95           HB1      ALA  95  -1.057  12.360   2.883
  716    HB2  ALA  95           HB2      ALA  95  -2.160  11.522   1.793
  717    HB3  ALA  95           HB3      ALA  95  -2.268  13.272   1.982
  718    H    LEU  96           HN       LEU  96  -0.241  10.917  -1.050
  719    HA   LEU  96           HA       LEU  96   0.963   8.808   0.239
  720    HB2  LEU  96           HB2      LEU  96   1.326   9.735  -2.603
  721    HB3  LEU  96           HB1      LEU  96   1.974   8.226  -1.998
  722    HG   LEU  96           HG       LEU  96  -0.956   8.932  -2.022
  723   HD11  LEU  96          HD11      LEU  96  -0.066   8.713  -4.285
  724   HD12  LEU  96          HD12      LEU  96  -1.127   7.364  -3.882
  725   HD13  LEU  96          HD13      LEU  96   0.623   7.145  -3.867
  726   HD21  LEU  96          HD21      LEU  96   0.505   6.366  -1.407
  727   HD22  LEU  96          HD22      LEU  96  -1.240   6.508  -1.610
  728   HD23  LEU  96          HD23      LEU  96  -0.440   7.343  -0.281
  729    HA   PRO  97           HA       PRO  97   5.397  10.584  -0.781
  730    HB2  PRO  97           HB2      PRO  97   5.509  13.328  -0.879
  731    HB3  PRO  97           HB1      PRO  97   5.446  12.283  -2.301
  732    HG2  PRO  97           HG2      PRO  97   3.225  13.755  -0.931
  733    HG3  PRO  97           HG1      PRO  97   3.551  13.586  -2.668
  734    HD2  PRO  97           HD2      PRO  97   1.675  12.110  -1.471
  735    HD3  PRO  97           HD1      PRO  97   2.710  11.419  -2.740
  736    H    ARG  98           HN       ARG  98   3.040  12.271   1.193
  737    HA   ARG  98           HA       ARG  98   4.990  13.189   3.111
  738    HB2  ARG  98           HB2      ARG  98   1.972  13.102   3.290
  739    HB3  ARG  98           HB1      ARG  98   3.031  13.896   4.444
  740    HG2  ARG  98           HG2      ARG  98   2.662  14.631   1.550
  741    HG3  ARG  98           HG1      ARG  98   2.058  15.517   2.950
  742    HD2  ARG  98           HD2      ARG  98   4.949  15.068   2.220
  743    HD3  ARG  98           HD1      ARG  98   4.054  16.576   2.066
  744    HE   ARG  98           HE       ARG  98   3.840  15.949   4.707
  745   HH11  ARG  98          HH11      ARG  98   6.518  16.318   2.496
  746   HH12  ARG  98          HH12      ARG  98   7.617  16.891   3.710
  747   HH21  ARG  98          HH21      ARG  98   5.281  16.711   6.322
  748   HH22  ARG  98          HH22      ARG  98   6.911  17.118   5.890
  749    H    LYS  99           HN       LYS  99   2.633  10.587   2.887
  750    HA   LYS  99           HA       LYS  99   3.135   9.638   5.548
  751    HB2  LYS  99           HB2      LYS  99   1.613   8.524   3.201
  752    HB3  LYS  99           HB1      LYS  99   1.820   7.616   4.689
  753    HG2  LYS  99           HG2      LYS  99   0.600  10.364   4.565
  754    HG3  LYS  99           HG1      LYS  99  -0.335   8.868   4.519
  755    HD2  LYS  99           HD2      LYS  99   0.207   8.314   6.714
  756    HD3  LYS  99           HD1      LYS  99   1.623   9.363   6.734
  757    HE2  LYS  99           HE2      LYS  99  -0.233  10.240   8.095
  758    HE3  LYS  99           HE1      LYS  99   0.223  11.324   6.787
  759    HZ1  LYS  99           HZ1      LYS  99  -2.121   9.505   6.835
  760    HZ2  LYS  99           HZ2      LYS  99  -1.655  10.435   5.506
  761    HZ3  LYS  99           HZ3      LYS  99  -2.149  11.196   6.932
  762    H    LEU 100           HN       LEU 100   4.266   8.942   2.326
  763    HA   LEU 100           HA       LEU 100   5.716   6.611   2.808
  764    HB2  LEU 100           HB2      LEU 100   5.246   7.751   0.584
  765    HB3  LEU 100           HB1      LEU 100   6.560   8.844   0.968
  766    HG   LEU 100           HG       LEU 100   8.058   6.806   1.120
  767   HD11  LEU 100          HD11      LEU 100   6.393   5.086   1.376
  768   HD12  LEU 100          HD12      LEU 100   7.280   4.822  -0.124
  769   HD13  LEU 100          HD13      LEU 100   5.661   5.517  -0.168
  770   HD21  LEU 100          HD21      LEU 100   8.107   8.311  -0.784
  771   HD22  LEU 100          HD22      LEU 100   6.754   7.452  -1.519
  772   HD23  LEU 100          HD23      LEU 100   8.307   6.641  -1.313
  773    H    ALA 101           HN       ALA 101   6.707  10.014   2.996
  774    HA   ALA 101           HA       ALA 101   9.337   9.564   3.881
  775    HB1  ALA 101           HB1      ALA 101   9.326  11.908   4.542
  776    HB2  ALA 101           HB2      ALA 101   7.570  11.956   4.380
  777    HB3  ALA 101           HB3      ALA 101   8.580  11.699   2.958
  778    H    ALA 102           HN       ALA 102   6.278   9.813   5.596
  779    HA   ALA 102           HA       ALA 102   7.308  10.047   8.200
  780    HB1  ALA 102           HB1      ALA 102   4.969  10.504   7.634
  781    HB2  ALA 102           HB2      ALA 102   5.102   9.334   8.947
  782    HB3  ALA 102           HB3      ALA 102   4.714   8.789   7.314
  783    H    TRP 103           HN       TRP 103   6.368   7.202   6.288
  784    HA   TRP 103           HA       TRP 103   6.928   5.322   8.325
  785    HB2  TRP 103           HB2      TRP 103   6.790   4.980   5.317
  786    HB3  TRP 103           HB1      TRP 103   6.930   3.642   6.457
  787    HD1  TRP 103           HD1      TRP 103   4.803   4.549   8.623
  788    HE1  TRP 103           HE1      TRP 103   2.295   4.545   8.044
  789    HE3  TRP 103           HE3      TRP 103   5.150   4.701   3.528
  790    HZ2  TRP 103           HZ2      TRP 103   0.683   4.600   5.730
  791    HZ3  TRP 103           HZ3      TRP 103   3.079   4.722   2.204
  792    HH2  TRP 103           HH2      TRP 103   0.891   4.673   3.286
  793    H    GLU 104           HN       GLU 104   8.923   6.796   5.829
  794    HA   GLU 104           HA       GLU 104  11.165   5.120   6.104
  795    HB2  GLU 104           HB2      GLU 104  11.126   8.074   5.457
  796    HB3  GLU 104           HB1      GLU 104  12.485   6.994   5.205
  797    HG2  GLU 104           HG2      GLU 104  10.999   5.676   3.655
  798    HG3  GLU 104           HG1      GLU 104   9.846   7.010   3.771
  799    H    ASN 105           HN       ASN 105  10.360   8.172   7.685
  800    HA   ASN 105           HA       ASN 105  12.723   8.296   9.234
  801    HB2  ASN 105           HB2      ASN 105  11.251  10.239   8.594
  802    HB3  ASN 105           HB1      ASN 105  10.100   9.685   9.802
  803   HD21  ASN 105          HD21      ASN 105  13.238  11.098   9.269
  804   HD22  ASN 105          HD22      ASN 105  13.489  11.636  10.895
  805    H    ALA 106           HN       ALA 106   9.498   7.033   9.885
  806    HA   ALA 106           HA       ALA 106  10.122   6.696  12.704
  807    HB1  ALA 106           HB1      ALA 106   7.920   7.546  12.023
  808    HB2  ALA 106           HB2      ALA 106   7.800   6.059  12.964
  809    HB3  ALA 106           HB3      ALA 106   7.595   6.015  11.213
  810    H    ARG 107           HN       ARG 107   9.505   4.621   9.877
  811    HA   ARG 107           HA       ARG 107   9.570   2.283  11.622
  812    HB2  ARG 107           HB2      ARG 107   8.824   2.564   8.717
  813    HB3  ARG 107           HB1      ARG 107   8.861   1.030   9.570
  814    HG2  ARG 107           HG2      ARG 107   7.096   3.383  10.239
  815    HG3  ARG 107           HG1      ARG 107   6.598   1.912   9.404
  816    HD2  ARG 107           HD2      ARG 107   7.566   2.143  12.256
  817    HD3  ARG 107           HD1      ARG 107   5.935   1.762  11.717
  818    HE   ARG 107           HE       ARG 107   8.080  -0.055  10.920
  819   HH11  ARG 107          HH11      ARG 107   5.302   0.576  12.959
  820   HH12  ARG 107          HH12      ARG 107   5.161  -1.073  13.483
  821   HH21  ARG 107          HH21      ARG 107   7.883  -2.222  11.595
  822   HH22  ARG 107          HH22      ARG 107   6.621  -2.663  12.702
  823    H    GLY 108           HN       GLY 108  11.851   3.995   9.978
  824    HA2  GLY 108           HA2      GLY 108  14.065   3.489   9.547
  825    HA3  GLY 108           HA1      GLY 108  13.781   1.917  10.283
  826    H    VAL 109           HN       VAL 109  12.330   3.464   7.473
  827    HA   VAL 109           HA       VAL 109  13.248   1.206   5.815
  828    HB   VAL 109           HB       VAL 109  10.611   2.689   5.611
  829   HG11  VAL 109          HG11      VAL 109  10.048   1.116   3.829
  830   HG12  VAL 109          HG12      VAL 109  11.667   0.427   3.923
  831   HG13  VAL 109          HG13      VAL 109  11.448   2.098   3.404
  832   HG21  VAL 109          HG21      VAL 109  10.648   1.090   7.457
  833   HG22  VAL 109          HG22      VAL 109  11.172  -0.180   6.351
  834   HG23  VAL 109          HG23      VAL 109   9.577   0.547   6.165
  835    H    ASP 110           HN       ASP 110  14.182   1.776   3.849
  836    HA   ASP 110           HA       ASP 110  14.145   4.656   3.222
  837    HB2  ASP 110           HB2      ASP 110  16.329   3.986   4.223
  838    HB3  ASP 110           HB1      ASP 110  16.553   2.851   2.887
  839    H    PHE 111           HN       PHE 111  13.109   4.933   1.385
  840    HA   PHE 111           HA       PHE 111  12.866   2.749  -0.494
  841    HB2  PHE 111           HB2      PHE 111  11.645   5.501  -0.385
  842    HB3  PHE 111           HB1      PHE 111  11.351   4.374  -1.703
  843    HD1  PHE 111           HD2      PHE 111  10.782   5.066   1.845
  844    HD2  PHE 111           HD1      PHE 111   9.973   2.428  -1.388
  845    HE1  PHE 111           HE2      PHE 111   8.970   4.037   3.144
  846    HE2  PHE 111           HE1      PHE 111   8.158   1.390  -0.097
  847    HZ   PHE 111           HZ       PHE 111   7.689   2.154   2.194
  848    H    GLY 112           HN       GLY 112  15.160   5.070  -0.063
  849    HA2  GLY 112           HA2      GLY 112  15.637   5.685  -2.848
  850    HA3  GLY 112           HA1      GLY 112  16.684   6.089  -1.494
  851    H    SER 113           HN       SER 113  17.505   3.928  -0.379
  852    HA   SER 113           HA       SER 113  18.986   2.530  -2.442
  853    HB2  SER 113           HB2      SER 113  20.043   3.349  -0.304
  854    HB3  SER 113           HB1      SER 113  19.114   2.121   0.555
  855    HG   SER 113           HG       SER 113  20.174   0.538  -0.711
  856    H    ARG 114           HN       ARG 114  16.087   2.156  -0.866
  857    HA   ARG 114           HA       ARG 114  14.459   0.600  -0.993
  858    HB2  ARG 114           HB2      ARG 114  16.348  -0.771  -2.907
  859    HB3  ARG 114           HB1      ARG 114  14.660  -1.211  -2.655
  860    HG2  ARG 114           HG2      ARG 114  13.924   0.909  -3.518
  861    HG3  ARG 114           HG1      ARG 114  15.590   1.483  -3.632
  862    HD2  ARG 114           HD2      ARG 114  14.353  -0.790  -5.178
  863    HD3  ARG 114           HD1      ARG 114  14.804   0.791  -5.812
  864    HE   ARG 114           HE       ARG 114  17.149   0.013  -4.942
  865   HH11  ARG 114          HH11      ARG 114  14.743  -1.839  -6.678
  866   HH12  ARG 114          HH12      ARG 114  15.895  -2.970  -7.321
  867   HH21  ARG 114          HH21      ARG 114  18.670  -1.454  -5.797
  868   HH22  ARG 114          HH22      ARG 114  18.133  -2.750  -6.818
  869    H    THR 115           HN       THR 115  15.987   0.475   1.201
  870    HA   THR 115           HA       THR 115  16.073  -2.405   1.757
  871    HB   THR 115           HB       THR 115  18.014  -1.900   3.325
  872    HG1  THR 115           HG1      THR 115  17.561   0.531   2.773
  873   HG21  THR 115          HG21      THR 115  18.287  -3.109   1.196
  874   HG22  THR 115          HG22      THR 115  19.687  -2.108   1.570
  875   HG23  THR 115          HG23      THR 115  18.518  -1.569   0.366
  876    H    GLN 116           HN       GLN 116  16.033  -2.821   4.178
  877    HA   GLN 116           HA       GLN 116  14.698  -0.719   5.690
  878    HB2  GLN 116           HB2      GLN 116  12.786  -2.111   6.254
  879    HB3  GLN 116           HB1      GLN 116  12.891  -1.931   4.509
  880    HG2  GLN 116           HG2      GLN 116  13.991  -4.159   4.408
  881    HG3  GLN 116           HG1      GLN 116  13.687  -4.332   6.136
  882   HE21  GLN 116          HE21      GLN 116  12.337  -6.089   5.912
  883   HE22  GLN 116          HE22      GLN 116  10.760  -5.976   5.209
  884    H    ALA 117           HN       ALA 117  14.538  -1.205   7.980
  885    HA   ALA 117           HA       ALA 117  16.821  -2.793   8.847
  886    HB1  ALA 117           HB1      ALA 117  15.050  -0.920  10.407
  887    HB2  ALA 117           HB2      ALA 117  16.589  -0.499   9.658
  888    HB3  ALA 117           HB3      ALA 117  16.542  -1.661  10.983
  889    H    ASP 118           HN       ASP 118  14.050  -3.851   8.041
  890    HA   ASP 118           HA       ASP 118  13.721  -5.588  10.395
  891    HB2  ASP 118           HB2      ASP 118  11.576  -4.230   8.773
  892    HB3  ASP 118           HB1      ASP 118  11.243  -5.721   9.654
  893    H    ALA 119           HN       ALA 119  12.978  -7.740   9.920
  894    HA   ALA 119           HA       ALA 119  13.805  -8.772   7.392
  895    HB1  ALA 119           HB1      ALA 119  12.181 -10.091   9.573
  896    HB2  ALA 119           HB2      ALA 119  13.937 -10.127   9.431
  897    HB3  ALA 119           HB3      ALA 119  12.940 -10.915   8.210
  898    H    LEU 120           HN       LEU 120  10.622  -8.768   8.978
  899    HA   LEU 120           HA       LEU 120   9.400  -8.182   6.365
  900    HB2  LEU 120           HB2      LEU 120   8.980 -10.505   7.191
  901    HB3  LEU 120           HB1      LEU 120   8.229  -9.827   8.617
  902    HG   LEU 120           HG       LEU 120   6.533  -8.749   7.110
  903   HD11  LEU 120          HD11      LEU 120   7.852 -10.513   5.064
  904   HD12  LEU 120          HD12      LEU 120   7.755  -8.752   5.044
  905   HD13  LEU 120          HD13      LEU 120   6.292  -9.717   4.862
  906   HD21  LEU 120          HD21      LEU 120   6.740 -11.752   7.074
  907   HD22  LEU 120          HD22      LEU 120   5.280 -10.824   6.742
  908   HD23  LEU 120          HD23      LEU 120   6.016 -10.765   8.343
  909    H    VAL 121           HN       VAL 121   8.218  -6.318   6.336
  910    HA   VAL 121           HA       VAL 121   7.279  -5.315   8.937
  911    HB   VAL 121           HB       VAL 121   9.053  -3.865   8.214
  912   HG11  VAL 121          HG11      VAL 121   9.023  -4.387   5.824
  913   HG12  VAL 121          HG12      VAL 121   9.034  -2.649   6.118
  914   HG13  VAL 121          HG13      VAL 121   7.538  -3.454   5.645
  915   HG21  VAL 121          HG21      VAL 121   7.187  -2.783   9.309
  916   HG22  VAL 121          HG22      VAL 121   6.362  -2.582   7.764
  917   HG23  VAL 121          HG23      VAL 121   7.865  -1.715   8.080
  918    H    LEU 122           HN       LEU 122   5.219  -5.795   9.009
  919    HA   LEU 122           HA       LEU 122   3.532  -5.189   6.676
  920    HB2  LEU 122           HB2      LEU 122   2.778  -6.852   9.079
  921    HB3  LEU 122           HB1      LEU 122   1.926  -6.739   7.554
  922    HG   LEU 122           HG       LEU 122   4.610  -8.061   7.989
  923   HD11  LEU 122          HD11      LEU 122   2.789  -9.351   8.926
  924   HD12  LEU 122          HD12      LEU 122   3.390 -10.125   7.460
  925   HD13  LEU 122          HD13      LEU 122   1.884  -9.212   7.419
  926   HD21  LEU 122          HD21      LEU 122   4.463  -7.052   5.773
  927   HD22  LEU 122          HD22      LEU 122   2.930  -7.880   5.494
  928   HD23  LEU 122          HD23      LEU 122   4.415  -8.811   5.683
  929    H    LEU 123           HN       LEU 123   2.592  -3.247   6.847
  930    HA   LEU 123           HA       LEU 123   2.193  -2.094   9.498
  931    HB2  LEU 123           HB2      LEU 123   1.815  -0.860   6.766
  932    HB3  LEU 123           HB1      LEU 123   1.682  -0.011   8.294
  933    HG   LEU 123           HG       LEU 123   4.191  -1.229   7.148
  934   HD11  LEU 123          HD11      LEU 123   3.362   1.641   7.558
  935   HD12  LEU 123          HD12      LEU 123   3.485   0.807   6.009
  936   HD13  LEU 123          HD13      LEU 123   4.934   1.095   6.974
  937   HD21  LEU 123          HD21      LEU 123   4.218  -1.405   9.565
  938   HD22  LEU 123          HD22      LEU 123   3.757   0.291   9.717
  939   HD23  LEU 123          HD23      LEU 123   5.327  -0.142   9.037
  940    H    GLY 124           HN       GLY 124   0.348  -2.456  10.486
  941    HA2  GLY 124           HA2      GLY 124  -2.098  -2.712   8.855
  942    HA3  GLY 124           HA1      GLY 124  -1.838  -3.561  10.372
  943    H    GLY 125           HN       GLY 125  -4.118  -2.071   9.966
  944    HA2  GLY 125           HA2      GLY 125  -5.386  -0.653  11.262
  945    HA3  GLY 125           HA1      GLY 125  -3.948  -0.293  12.206
  946    H    LEU 126           HN       LEU 126  -3.715   0.144   8.802
  947    HA   LEU 126           HA       LEU 126  -3.341   2.960   9.142
  948    HB2  LEU 126           HB2      LEU 126  -3.194   1.093   6.818
  949    HB3  LEU 126           HB1      LEU 126  -3.324   2.816   6.515
  950    HG   LEU 126           HG       LEU 126  -1.261   3.163   7.872
  951   HD11  LEU 126          HD11      LEU 126  -1.414   1.115   9.222
  952   HD12  LEU 126          HD12      LEU 126   0.144   1.283   8.420
  953   HD13  LEU 126          HD13      LEU 126  -1.055   0.159   7.783
  954   HD21  LEU 126          HD21      LEU 126   0.269   2.332   6.160
  955   HD22  LEU 126          HD22      LEU 126  -1.178   3.040   5.440
  956   HD23  LEU 126          HD23      LEU 126  -1.002   1.287   5.526
  957    H    ASP 127           HN       ASP 127  -4.510   4.624   8.241
  958    HA   ASP 127           HA       ASP 127  -7.279   4.000   7.478
  959    HB2  ASP 127           HB2      ASP 127  -6.364   6.216   9.345
  960    HB3  ASP 127           HB1      ASP 127  -7.997   6.070   8.698
  961    H    PHE 128           HN       PHE 128  -8.302   6.011   6.417
  962    HA   PHE 128           HA       PHE 128  -6.316   7.042   4.530
  963    HB2  PHE 128           HB2      PHE 128  -9.285   6.650   4.388
  964    HB3  PHE 128           HB1      PHE 128  -8.497   7.800   3.309
  965    HD1  PHE 128           HD2      PHE 128  -8.418   4.244   4.393
  966    HD2  PHE 128           HD1      PHE 128  -7.452   7.066   1.355
  967    HE1  PHE 128           HE2      PHE 128  -7.779   2.404   2.893
  968    HE2  PHE 128           HE1      PHE 128  -6.804   5.230  -0.148
  969    HZ   PHE 128           HZ       PHE 128  -6.967   2.895   0.618
  970    H    GLU 129           HN       GLU 129  -6.340   8.085   7.091
  971    HA   GLU 129           HA       GLU 129  -7.475  10.757   6.843
  972    HB2  GLU 129           HB2      GLU 129  -7.659   9.667   9.026
  973    HB3  GLU 129           HB1      GLU 129  -5.918   9.435   9.076
  974    HG2  GLU 129           HG2      GLU 129  -5.627  11.886   9.077
  975    HG3  GLU 129           HG1      GLU 129  -7.380  12.061   9.147
  976    H    ALA 130           HN       ALA 130  -6.332  12.104   5.617
  977    HA   ALA 130           HA       ALA 130  -3.560  11.735   5.075
  978    HB1  ALA 130           HB1      ALA 130  -5.035  12.714   3.418
  979    HB2  ALA 130           HB2      ALA 130  -3.737  13.836   3.826
  980    HB3  ALA 130           HB3      ALA 130  -5.354  14.083   4.485