*HEADER    SUGAR BINDING PROTEIN                   23-JUL-17   5Y22              
*TITLE     NMR-BASED MODEL OF THE 22 AMINO ACID PEPTIDE IN POLYSIALYLTRANSFERASE 
*TITLE    2 DOMAIN (PSTD) OF THE POLYSIALYLTRANSFERASE ST8SIA IV                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 22AA-PSTD PEPTIDE;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 258-279;                                      
*COMPND   5 EC: 2.4.99.-;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    POLYSIALYLTRANSFERASE DOMAIN (PSTD) POLYSIALYLTRANSFERASE ST8SIA IV   
*KEYWDS   2 POLYSIALIC ACID (POLYSIA), SUGAR BINDING PROTEIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.LU,S.M.LIAO,J.M.HUANG,Z.L.LU,D.CHEN,X.H.LIU,G.P.ZHOU,R.B.HUANG      
*REVDAT   1   29-NOV-17 5Y22    0                                                
# Restraints file 1: 22pep_free_unambig.tbl
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HZ2) 2.485 0.772 0.772 weight 1.000 ! spec=NOE300, no=1, id=0, vol=6.072033e+06
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HD1) 2.139 0.572 0.572 weight 1.000 ! spec=NOE300, no=2, id=1, vol=1.446103e+07
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG22) 2.774 0.962 0.962 weight 1.000 ! spec=NOE300, no=3, id=2, vol=3.235680e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.548 0.811 0.811 weight 1.000 ! spec=NOE300, no=5, id=4, vol=6.133849e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=NOE300, no=6, id=5, vol=3.107683e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.503 0.783 3.497 weight 1.000 ! spec=NOE300, no=7, id=6, vol=7.408073e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.447 0.749 0.749 weight 1.000 ! spec=NOE300, no=8, id=7, vol=8.092952e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.708 0.917 0.917 weight 1.000 ! spec=NOE300, no=9, id=8, vol=4.593908e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.429 0.737 0.737 weight 1.000 ! spec=NOE300, no=10, id=9, vol=8.166777e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HG) 2.556 0.817 0.817 weight 1.000 ! spec=NOE300, no=11, id=10, vol=5.936116e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.639 0.870 0.870 weight 1.000 ! spec=NOE300, no=12, id=11, vol=5.010956e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD11) 2.655 0.881 0.881 weight 1.000 ! spec=NOE300, no=13, id=12, vol=4.762541e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.439 0.743 0.743 weight 1.000 ! spec=NOE300, no=14, id=13, vol=7.862396e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.157 0.582 3.843 weight 1.000 ! spec=NOE300, no=16, id=15, vol=1.483733e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.664 0.887 0.887 weight 1.000 ! spec=NOE300, no=17, id=16, vol=4.641725e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG2) 2.704 0.914 0.914 weight 1.000 ! spec=NOE300, no=18, id=17, vol=4.333425e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG1) 2.929 1.073 1.073 weight 1.000 ! spec=NOE300, no=19, id=18, vol=2.649130e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.442 0.745 0.745 weight 1.000 ! spec=NOE300, no=21, id=20, vol=7.418564e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.494 0.777 3.506 weight 1.000 ! spec=NOE300, no=22, id=21, vol=6.627066e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HB) 2.512 0.789 3.488 weight 1.000 ! spec=NOE300, no=23, id=22, vol=6.465445e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.270 0.644 0.644 weight 1.000 ! spec=NOE300, no=25, id=24, vol=1.213730e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.587 0.837 0.837 weight 1.000 ! spec=NOE300, no=26, id=25, vol=5.851675e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG11) 2.789 0.972 0.972 weight 1.000 ! spec=NOE300, no=27, id=26, vol=3.388964e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG22) 2.721 0.925 0.925 weight 1.000 ! spec=NOE300, no=28, id=27, vol=3.976929e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=NOE300, no=29, id=28, vol=4.953239e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=NOE300, no=31, id=30, vol=1.064813e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HB) 2.283 0.651 0.651 weight 1.000 ! spec=NOE300, no=33, id=32, vol=1.155754e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB3) 2.379 0.707 0.707 weight 1.000 ! spec=NOE300, no=34, id=33, vol=8.955233e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG11) 2.186 0.597 0.597 weight 1.000 ! spec=NOE300, no=35, id=34, vol=1.418935e+07
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG22) 2.472 0.764 3.528 weight 1.000 ! spec=NOE300, no=36, id=35, vol=7.270385e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.354 0.693 0.693 weight 1.000 ! spec=NOE300, no=37, id=36, vol=1.037698e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD1) 2.834 1.004 3.166 weight 1.000 ! spec=NOE300, no=38, id=37, vol=3.045595e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HN) 2.650 0.878 0.878 weight 1.000 ! spec=NOE300, no=39, id=38, vol=4.817321e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=NOE300, no=40, id=39, vol=3.926375e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.562 0.821 0.821 weight 1.000 ! spec=NOE300, no=41, id=40, vol=5.729586e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.496 0.779 0.779 weight 1.000 ! spec=NOE300, no=42, id=41, vol=6.721458e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HG2) 2.642 0.872 0.872 weight 1.000 ! spec=NOE300, no=43, id=42, vol=4.960083e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.694 0.907 0.907 weight 1.000 ! spec=NOE300, no=44, id=43, vol=4.715257e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.535 0.804 0.804 weight 1.000 ! spec=NOE300, no=45, id=44, vol=6.505971e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.250 0.633 3.750 weight 1.000 ! spec=NOE300, no=46, id=45, vol=1.187856e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.651 0.879 0.879 weight 1.000 ! spec=NOE300, no=47, id=46, vol=4.484707e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=NOE300, no=48, id=47, vol=4.811749e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.734 0.934 0.934 weight 1.000 ! spec=NOE300, no=49, id=48, vol=3.944882e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 2.091 0.547 0.547 weight 1.000 ! spec=NOE300, no=50, id=49, vol=1.769967e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.498 0.780 0.780 weight 1.000 ! spec=NOE300, no=51, id=50, vol=6.873064e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.595 0.842 3.405 weight 1.000 ! spec=NOE300, no=52, id=51, vol=5.670251e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG23) 2.797 0.978 0.978 weight 1.000 ! spec=NOE300, no=53, id=52, vol=3.472171e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG22)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=NOE300, no=54, id=53, vol=3.157894e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB3) 2.117 0.560 0.560 weight 1.000 ! spec=NOE300, no=55, id=54, vol=1.617595e+07
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.541 0.807 0.807 weight 1.000 ! spec=NOE300, no=56, id=55, vol=5.797269e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.865 1.026 1.026 weight 1.000 ! spec=NOE300, no=58, id=57, vol=2.854853e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=NOE300, no=59, id=58, vol=6.277253e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HN) 2.603 0.847 0.847 weight 1.000 ! spec=NOE300, no=60, id=59, vol=5.555426e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.645 0.875 0.875 weight 1.000 ! spec=NOE300, no=61, id=60, vol=4.666766e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=NOE300, no=62, id=61, vol=3.477609e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.675 0.895 0.895 weight 1.000 ! spec=NOE300, no=63, id=62, vol=4.630686e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21) 2.495 0.778 0.778 weight 1.000 ! spec=NOE300, no=64, id=63, vol=6.616919e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.813 0.989 0.989 weight 1.000 ! spec=NOE300, no=65, id=64, vol=3.351057e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.878 1.036 1.036 weight 1.000 ! spec=NOE300, no=66, id=65, vol=2.885285e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.533 0.802 0.802 weight 1.000 ! spec=NOE300, no=67, id=66, vol=6.024758e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=NOE300, no=68, id=67, vol=6.254043e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.792 0.975 0.975 weight 1.000 ! spec=NOE300, no=69, id=68, vol=3.639220e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 2.319 0.672 0.672 weight 1.000 ! spec=NOE300, no=70, id=69, vol=1.014422e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=NOE300, no=71, id=70, vol=5.000276e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.356 0.694 3.644 weight 1.000 ! spec=NOE300, no=72, id=71, vol=9.046655e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=NOE300, no=73, id=72, vol=4.724065e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HB) 2.403 0.722 0.722 weight 1.000 ! spec=NOE300, no=75, id=74, vol=8.411062e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG23) 2.265 0.641 0.641 weight 1.000 ! spec=NOE300, no=76, id=75, vol=1.141074e+07
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG11) 2.823 0.997 3.177 weight 1.000 ! spec=NOE300, no=77, id=76, vol=3.325913e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG23) 2.592 0.840 3.408 weight 1.000 ! spec=NOE300, no=78, id=77, vol=5.686952e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG22)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG11) 2.785 0.969 0.969 weight 1.000 ! spec=NOE300, no=79, id=78, vol=3.623202e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG12) 2.850 1.015 1.015 weight 1.000 ! spec=NOE300, no=80, id=79, vol=3.156213e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HB) 2.464 0.759 0.759 weight 1.000 ! spec=NOE300, no=81, id=80, vol=7.631828e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.801 0.981 0.981 weight 1.000 ! spec=NOE300, no=82, id=81, vol=3.460839e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.438 0.743 0.743 weight 1.000 ! spec=NOE300, no=83, id=82, vol=7.835804e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.274 0.647 0.647 weight 1.000 ! spec=NOE300, no=84, id=83, vol=1.157938e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG23) 2.778 0.965 0.965 weight 1.000 ! spec=NOE300, no=85, id=84, vol=3.295116e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HB) 2.799 0.979 0.979 weight 1.000 ! spec=NOE300, no=86, id=85, vol=3.436827e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.386 0.712 0.712 weight 1.000 ! spec=NOE300, no=87, id=86, vol=8.608369e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=NOE300, no=88, id=87, vol=2.958720e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.734 0.935 0.935 weight 1.000 ! spec=NOE300, no=89, id=88, vol=3.845582e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=NOE300, no=90, id=89, vol=3.834539e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HN) 2.914 1.061 1.061 weight 1.000 ! spec=NOE300, no=92, id=91, vol=2.563255e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.610 0.852 0.852 weight 1.000 ! spec=NOE300, no=93, id=92, vol=5.007561e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.417 0.731 0.731 weight 1.000 ! spec=NOE300, no=94, id=93, vol=7.847210e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HB) 2.253 0.635 0.635 weight 1.000 ! spec=NOE300, no=95, id=94, vol=1.210590e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.462 0.757 3.538 weight 1.000 ! spec=NOE300, no=96, id=95, vol=7.179072e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG12) 2.748 0.944 0.944 weight 1.000 ! spec=NOE300, no=97, id=96, vol=3.716423e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG11) 2.752 0.947 0.947 weight 1.000 ! spec=NOE300, no=98, id=97, vol=3.728801e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG23) 2.489 0.774 3.511 weight 1.000 ! spec=NOE300, no=99, id=98, vol=6.395969e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name  HB2) 2.877 1.034 1.034 weight 1.000 ! spec=NOE300, no=100, id=99, vol=2.692992e+06
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name  HB1) 2.718 0.924 0.924 weight 1.000 ! spec=NOE300, no=101, id=100, vol=3.889179e+06
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   14 and name  HB2) 3.125 1.220 1.220 weight 1.000 ! spec=NOE300, no=102, id=101, vol=1.741773e+06
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   14 and name  HB1) 2.918 1.064 1.064 weight 1.000 ! spec=NOE300, no=103, id=102, vol=2.617271e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1) 2.241 0.628 0.628 weight 1.000 ! spec=NOE300, no=104, id=103, vol=1.437435e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB2) 2.224 0.618 0.618 weight 1.000 ! spec=NOE300, no=105, id=104, vol=1.408348e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name   HA) 2.414 0.728 0.728 weight 1.000 ! spec=NOE300, no=106, id=105, vol=8.271866e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HD1) 1.811 0.410 0.410 weight 1.000 ! spec=NOE300, no=107, id=106, vol=4.262334e+07
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HD2)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HD1)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HB2) 2.409 0.726 0.726 weight 1.000 ! spec=NOE300, no=108, id=107, vol=6.890206e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB2) 2.782 0.968 0.968 weight 1.000 ! spec=NOE300, no=112, id=109, vol=3.841838e+06
assign (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB2) 2.473 0.764 0.764 weight 1.000 ! spec=NOE300, no=113, id=110, vol=7.463197e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB1) 2.502 0.782 0.782 weight 1.000 ! spec=NOE300, no=117, id=112, vol=6.879629e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2) 2.529 0.799 0.799 weight 1.000 ! spec=NOE300, no=118, id=113, vol=6.286239e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HG1) 2.773 0.961 0.961 weight 1.000 ! spec=NOE300, no=119, id=114, vol=3.809654e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HG2) 2.670 0.891 0.891 weight 1.000 ! spec=NOE300, no=120, id=115, vol=4.754488e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.970 1.102 1.102 weight 1.000 ! spec=NOE300, no=121, id=116, vol=2.516374e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB3) 3.338 1.393 1.393 weight 1.000 ! spec=NOE300, no=122, id=117, vol=1.200408e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.138 1.231 1.231 weight 1.000 ! spec=NOE300, no=123, id=118, vol=1.685552e+06
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name   HA) 2.548 0.811 3.452 weight 1.000 ! spec=NOE300, no=125, id=119, vol=5.987774e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HA) 2.566 0.823 3.434 weight 1.000 ! spec=NOE300, no=126, id=120, vol=4.666894e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=NOE300, no=127, id=121, vol=2.504233e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HB) 2.958 1.094 3.042 weight 1.000 ! spec=NOE300, no=128, id=122, vol=2.539476e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name   HA) 2.874 1.033 1.033 weight 1.000 ! spec=NOE300, no=129, id=123, vol=2.396662e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name   HA) 3.211 1.289 1.289 weight 1.000 ! spec=NOE300, no=131, id=125, vol=1.227078e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name   HA) 2.856 1.019 1.019 weight 1.000 ! spec=NOE300, no=132, id=126, vol=3.043969e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name  HB1) 2.626 0.862 0.862 weight 1.000 ! spec=NOE300, no=133, id=127, vol=5.443874e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB1) 2.589 0.838 3.411 weight 1.000 ! spec=NOE300, no=134, id=128, vol=4.848373e+06
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name  HB2) 2.690 0.905 3.310 weight 1.000 ! spec=NOE300, no=135, id=129, vol=4.660885e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB2) 2.521 0.795 0.795 weight 1.000 ! spec=NOE300, no=136, id=130, vol=5.452608e+06
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HB1) 3.089 1.193 2.911 weight 1.000 ! spec=NOE300, no=137, id=131, vol=2.011416e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HN) 2.750 0.946 0.946 weight 1.000 ! spec=NOE300, no=139, id=132, vol=3.154444e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=NOE300, no=140, id=133, vol=2.439148e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name   HN)
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name   HN) 2.989 1.117 1.117 weight 1.000 ! spec=NOE300, no=142, id=134, vol=2.390849e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 2.965 1.099 1.099 weight 1.000 ! spec=NOE300, no=150, id=136, vol=2.425307e+06
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   11 and name  HE3) 2.084 0.543 0.543 weight 1.000 ! spec=NOE300, no=167, id=141, vol=1.783505e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name   HN) 3.025 1.144 1.144 weight 1.000 ! spec=NOE300, no=175, id=146, vol=2.093818e+06
assign (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   11 and name  HE3) 3.026 1.145 2.974 weight 1.000 ! spec=NOE300, no=184, id=149, vol=2.100314e+06
assign (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   11 and name  HZ2) 2.009 0.504 0.504 weight 1.000 ! spec=NOE300, no=185, id=150, vol=2.162353e+07
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   11 and name  HZ2) 2.935 1.077 3.065 weight 1.000 ! spec=NOE300, no=191, id=153, vol=2.498898e+06
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   11 and name  HH2) 2.082 0.542 0.542 weight 1.000 ! spec=NOE300, no=192, id=154, vol=2.080197e+07
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name  HD1) 2.945 1.084 1.084 weight 1.000 ! spec=NOE300, no=205, id=157, vol=2.096535e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   14 and name HD22) 1.791 0.401 0.401 weight 1.000 ! spec=NOE300, no=215, id=159, vol=4.257686e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.168 1.255 1.255 weight 1.000 ! spec=NOE300, no=217, id=160, vol=1.683048e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB2) 3.206 1.285 1.285 weight 1.000 ! spec=NOE300, no=218, id=161, vol=1.500383e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.204 1.283 1.283 weight 1.000 ! spec=NOE300, no=219, id=162, vol=1.363820e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.023 1.143 1.143 weight 1.000 ! spec=NOE300, no=220, id=163, vol=2.237515e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.963 1.097 1.097 weight 1.000 ! spec=NOE300, no=221, id=164, vol=2.526048e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.976 1.107 1.107 weight 1.000 ! spec=NOE300, no=222, id=165, vol=2.420206e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG2) 3.038 1.154 1.154 weight 1.000 ! spec=NOE300, no=223, id=166, vol=2.160105e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HG2) 3.214 1.291 1.291 weight 1.000 ! spec=NOE300, no=224, id=167, vol=1.518936e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG21) 3.029 1.147 1.147 weight 1.000 ! spec=NOE300, no=225, id=168, vol=2.132098e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG11) 3.224 1.300 1.300 weight 1.000 ! spec=NOE300, no=226, id=169, vol=1.365615e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD21) 3.046 1.160 1.160 weight 1.000 ! spec=NOE300, no=227, id=170, vol=2.237414e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG22) 2.324 0.675 0.675 weight 1.000 ! spec=NOE300, no=229, id=172, vol=8.481454e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG22) 2.990 1.117 1.117 weight 1.000 ! spec=NOE300, no=230, id=173, vol=2.335767e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD11) 2.897 1.049 3.103 weight 1.000 ! spec=NOE300, no=232, id=174, vol=2.734543e+06
    or (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD13) 3.047 1.161 1.161 weight 1.000 ! spec=NOE300, no=233, id=175, vol=2.128194e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD11) 3.014 1.136 1.136 weight 1.000 ! spec=NOE300, no=234, id=176, vol=1.759617e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG23) 2.953 1.090 1.090 weight 1.000 ! spec=NOE300, no=235, id=177, vol=1.941533e+06
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    5 and name   HA) 3.216 1.293 1.293 weight 1.000 ! spec=NOE300, no=237, id=178, vol=1.533410e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name   HA) 3.243 1.314 1.314 weight 1.000 ! spec=NOE300, no=250, id=179, vol=1.278929e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name   HA) 3.177 1.262 2.823 weight 1.000 ! spec=NOE300, no=253, id=180, vol=1.350375e+06
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name   HA) 3.311 1.371 2.689 weight 1.000 ! spec=NOE300, no=254, id=181, vol=1.217097e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   10 and name   HA) 3.416 1.459 1.459 weight 1.000 ! spec=NOE300, no=255, id=182, vol=1.016351e+06
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name   HA) 3.239 1.311 1.311 weight 1.000 ! spec=NOE300, no=257, id=183, vol=1.317827e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name   HA) 3.142 1.234 1.234 weight 1.000 ! spec=NOE300, no=264, id=184, vol=1.578444e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid    9 and name  HA2) 2.946 1.085 1.085 weight 1.000 ! spec=NOE300, no=267, id=186, vol=2.707203e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name  HA2) 3.473 1.508 1.508 weight 1.000 ! spec=NOE300, no=269, id=187, vol=1.018852e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD1) 3.432 1.472 2.568 weight 1.000 ! spec=NOE300, no=270, id=188, vol=9.946484e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name  HD1) 3.251 1.321 1.321 weight 1.000 ! spec=NOE300, no=273, id=189, vol=1.366543e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name  HD2) 3.333 1.389 2.667 weight 1.000 ! spec=NOE300, no=276, id=190, vol=1.196553e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HD1) 3.006 1.130 1.130 weight 1.000 ! spec=NOE300, no=283, id=191, vol=2.262088e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HB1) 3.346 1.400 1.400 weight 1.000 ! spec=NOE300, no=286, id=192, vol=1.026336e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.358 1.410 1.410 weight 1.000 ! spec=NOE300, no=287, id=193, vol=1.158470e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.324 1.381 1.381 weight 1.000 ! spec=NOE300, no=290, id=194, vol=1.248064e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.418 1.460 1.460 weight 1.000 ! spec=NOE300, no=294, id=195, vol=1.047714e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name   HB) 3.241 1.313 1.313 weight 1.000 ! spec=NOE300, no=314, id=196, vol=1.189367e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HG) 3.241 1.313 1.313 weight 1.000 ! spec=NOE300, no=316, id=197, vol=1.384063e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   12 and name   HG) 3.278 1.343 1.343 weight 1.000 ! spec=NOE300, no=318, id=198, vol=1.132911e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HG2) 3.292 1.355 1.355 weight 1.000 ! spec=NOE300, no=321, id=199, vol=1.137640e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.342 1.396 1.396 weight 1.000 ! spec=NOE300, no=326, id=200, vol=1.183071e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB3) 3.363 1.414 1.414 weight 1.000 ! spec=NOE300, no=331, id=202, vol=1.133170e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG12) 3.455 1.492 1.492 weight 1.000 ! spec=NOE300, no=336, id=203, vol=1.029017e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG2) 3.380 1.428 1.428 weight 1.000 ! spec=NOE300, no=339, id=204, vol=1.148229e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG11) 3.404 1.448 1.448 weight 1.000 ! spec=NOE300, no=350, id=205, vol=1.006262e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG22) 3.284 1.348 1.348 weight 1.000 ! spec=NOE300, no=353, id=206, vol=1.325452e+06
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD21) 3.403 1.447 1.447 weight 1.000 ! spec=NOE300, no=355, id=207, vol=1.073663e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD11) 3.391 1.437 1.437 weight 1.000 ! spec=NOE300, no=359, id=208, vol=1.166024e+06
    or (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 3.284 1.348 1.348 weight 1.000 ! spec=NOE300, no=389, id=210, vol=1.311435e+06
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name  HZ2) 3.284 1.348 2.716 weight 1.000 ! spec=NOE300, no=413, id=211, vol=1.413692e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD22) 3.386 1.433 1.433 weight 1.000 ! spec=NOE300, no=420, id=212, vol=1.113655e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name HD22) 3.305 1.365 1.365 weight 1.000 ! spec=NOE300, no=428, id=214, vol=1.233495e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name HD22)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name HD21) 3.383 1.431 1.431 weight 1.000 ! spec=NOE300, no=442, id=215, vol=1.113810e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name HD21)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name HD21) 3.331 1.387 1.387 weight 1.000 ! spec=NOE300, no=443, id=216, vol=1.236047e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name HD21)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   10 and name   HA) 3.205 1.284 2.795 weight 1.000 ! spec=NOE300, no=532, id=217, vol=1.618096e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HA) 3.423 1.465 1.465 weight 1.000 ! spec=NOE300, no=542, id=218, vol=1.039399e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   12 and name   HA) 3.007 1.130 2.993 weight 1.000 ! spec=NOE300, no=543, id=219, vol=2.310187e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.535 0.804 0.804 weight 1.000 ! spec=NOE300, no=587, id=220, vol=5.819910e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HD1) 3.184 1.267 1.267 weight 1.000 ! spec=NOE300, no=606, id=221, vol=1.605682e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HD1) 2.146 0.576 0.576 weight 1.000 ! spec=NOE300, no=607, id=222, vol=1.720770e+07
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HD2) 1.986 0.493 0.493 weight 1.000 ! spec=NOE300, no=635, id=223, vol=2.984342e+07
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HD2) 1.937 0.469 0.469 weight 1.000 ! spec=NOE300, no=642, id=224, vol=3.454316e+07
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HD2) 3.358 1.410 1.410 weight 1.000 ! spec=NOE300, no=643, id=225, vol=1.124105e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HD2) 2.170 0.589 0.589 weight 1.000 ! spec=NOE300, no=644, id=226, vol=1.518426e+07
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.420 0.732 0.732 weight 1.000 ! spec=NOE300, no=662, id=227, vol=9.283728e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.685 0.901 3.315 weight 1.000 ! spec=NOE300, no=663, id=228, vol=4.827476e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.375 0.705 0.705 weight 1.000 ! spec=NOE300, no=671, id=230, vol=9.728812e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.720 0.925 3.280 weight 1.000 ! spec=NOE300, no=672, id=231, vol=4.345753e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HB2) 1.984 0.492 0.492 weight 1.000 ! spec=NOE300, no=673, id=232, vol=2.847090e+07
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD2) 2.923 1.068 1.068 weight 1.000 ! spec=NOE300, no=680, id=233, vol=2.856137e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 2.134 0.569 3.866 weight 1.000 ! spec=NOE300, no=683, id=234, vol=1.776191e+07
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    5 and name  HB2) 2.913 1.060 3.087 weight 1.000 ! spec=NOE300, no=684, id=235, vol=2.894060e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HD1) 2.793 0.975 0.975 weight 1.000 ! spec=NOE300, no=685, id=236, vol=3.601935e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.388 0.713 0.713 weight 1.000 ! spec=NOE300, no=696, id=237, vol=9.790680e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HB1) 3.443 1.482 1.482 weight 1.000 ! spec=NOE300, no=698, id=238, vol=1.127945e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.547 0.811 0.811 weight 1.000 ! spec=NOE300, no=701, id=239, vol=6.697797e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.301 0.662 0.662 weight 1.000 ! spec=NOE300, no=703, id=240, vol=1.225862e+07
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB2) 3.447 1.485 1.485 weight 1.000 ! spec=NOE300, no=727, id=241, vol=9.981246e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB1) 3.225 1.300 1.300 weight 1.000 ! spec=NOE300, no=732, id=242, vol=1.498587e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 1.993 0.497 0.497 weight 1.000 ! spec=NOE300, no=735, id=244, vol=2.572394e+07
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.387 0.712 0.712 weight 1.000 ! spec=NOE300, no=743, id=245, vol=8.337986e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HB1) 3.251 1.321 1.321 weight 1.000 ! spec=NOE300, no=745, id=246, vol=1.493869e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.311 0.668 0.668 weight 1.000 ! spec=NOE300, no=758, id=247, vol=1.085449e+07
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HB2) 3.034 1.150 1.150 weight 1.000 ! spec=NOE300, no=759, id=248, vol=2.177446e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name   HB) 3.394 1.440 2.606 weight 1.000 ! spec=NOE300, no=766, id=249, vol=1.118676e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name   HB) 2.414 0.728 3.586 weight 1.000 ! spec=NOE300, no=767, id=250, vol=8.242468e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name   HB) 2.397 0.718 0.718 weight 1.000 ! spec=NOE300, no=768, id=251, vol=9.174821e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HB) 2.505 0.784 0.784 weight 1.000 ! spec=NOE300, no=779, id=252, vol=6.672181e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HG2) 2.617 0.856 0.856 weight 1.000 ! spec=NOE300, no=780, id=253, vol=5.618577e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HG2) 2.631 0.866 0.866 weight 1.000 ! spec=NOE300, no=781, id=254, vol=5.134248e+06
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   16 and name   HB) 2.749 0.945 3.251 weight 1.000 ! spec=NOE300, no=782, id=255, vol=4.027904e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HG2) 2.897 1.049 1.049 weight 1.000 ! spec=NOE300, no=783, id=256, vol=2.832616e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HG2) 3.294 1.357 1.357 weight 1.000 ! spec=NOE300, no=789, id=257, vol=1.225259e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.701 0.912 0.912 weight 1.000 ! spec=NOE300, no=798, id=258, vol=4.825755e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=NOE300, no=800, id=259, vol=5.495732e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.142 0.574 0.574 weight 1.000 ! spec=NOE300, no=801, id=260, vol=1.785549e+07
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name  HB2) 2.011 0.506 0.506 weight 1.000 ! spec=NOE300, no=802, id=261, vol=2.800817e+07
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1) 2.259 0.638 0.638 weight 1.000 ! spec=NOE300, no=803, id=262, vol=1.234138e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HG2) 2.704 0.914 3.296 weight 1.000 ! spec=NOE300, no=804, id=263, vol=4.280855e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   17 and name  HB1) 3.255 1.325 1.325 weight 1.000 ! spec=NOE300, no=806, id=264, vol=1.405213e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HB1) 2.132 0.568 3.868 weight 1.000 ! spec=NOE300, no=808, id=265, vol=1.830074e+07
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HB1) 2.171 0.589 3.829 weight 1.000 ! spec=NOE300, no=809, id=266, vol=1.579467e+07
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.839 0.423 0.423 weight 1.000 ! spec=NOE300, no=810, id=267, vol=4.479192e+07
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid    8 and name  HB2) 2.870 1.030 3.130 weight 1.000 ! spec=NOE300, no=827, id=268, vol=3.012353e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.639 0.871 0.871 weight 1.000 ! spec=NOE300, no=833, id=269, vol=5.220354e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.218 0.615 3.782 weight 1.000 ! spec=NOE300, no=834, id=270, vol=1.465443e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    2 and name  HB1) 3.246 1.317 2.754 weight 1.000 ! spec=NOE300, no=835, id=271, vol=1.159318e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB2) 2.418 0.731 0.731 weight 1.000 ! spec=NOE300, no=836, id=272, vol=9.149128e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   20 and name  HB1) 2.943 1.083 1.083 weight 1.000 ! spec=NOE300, no=843, id=273, vol=2.681202e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HB2) 3.375 1.424 1.424 weight 1.000 ! spec=NOE300, no=848, id=274, vol=1.166403e+06
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   12 and name  HB2) 2.607 0.850 0.850 weight 1.000 ! spec=NOE300, no=849, id=275, vol=5.360525e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name   HB) 2.267 0.642 3.733 weight 1.000 ! spec=NOE300, no=859, id=278, vol=1.195013e+07
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG2) 2.409 0.725 0.725 weight 1.000 ! spec=NOE300, no=860, id=279, vol=9.288851e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.496 0.779 0.779 weight 1.000 ! spec=NOE300, no=869, id=280, vol=6.783369e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB1) 2.387 0.712 0.712 weight 1.000 ! spec=NOE300, no=876, id=281, vol=9.565833e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 2.026 0.513 0.513 weight 1.000 ! spec=NOE300, no=883, id=282, vol=2.662916e+07
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   12 and name   HG) 3.116 1.214 1.214 weight 1.000 ! spec=NOE300, no=886, id=283, vol=1.802382e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   20 and name  HB2) 3.157 1.245 1.245 weight 1.000 ! spec=NOE300, no=888, id=284, vol=1.729611e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 2.700 0.911 0.911 weight 1.000 ! spec=NOE300, no=898, id=285, vol=4.782303e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB2) 2.498 0.780 0.780 weight 1.000 ! spec=NOE300, no=899, id=286, vol=7.107672e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   20 and name  HG2) 3.289 1.352 1.352 weight 1.000 ! spec=NOE300, no=904, id=288, vol=1.351021e+06
assign (segid "   A" and resid   19 and name  HE1) (segid "   A" and resid   19 and name  HD2) 2.638 0.870 0.870 weight 1.000 ! spec=NOE300, no=905, id=289, vol=4.654746e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HG2) 2.234 0.624 0.624 weight 1.000 ! spec=NOE300, no=909, id=290, vol=1.517039e+07
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HG1) 2.527 0.798 0.798 weight 1.000 ! spec=NOE300, no=915, id=291, vol=6.497464e+06
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.607 0.849 0.849 weight 1.000 ! spec=NOE300, no=918, id=292, vol=4.811944e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG1) 2.460 0.756 0.756 weight 1.000 ! spec=NOE300, no=919, id=293, vol=8.259272e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name  HB2) 3.142 1.234 2.858 weight 1.000 ! spec=NOE300, no=925, id=294, vol=1.764965e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 2.076 0.539 0.539 weight 1.000 ! spec=NOE300, no=926, id=295, vol=2.062481e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name  HB2) 2.962 1.097 1.097 weight 1.000 ! spec=NOE300, no=927, id=296, vol=2.407960e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.365 0.699 0.699 weight 1.000 ! spec=NOE300, no=935, id=297, vol=1.004231e+07
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HB1) 2.005 0.503 0.503 weight 1.000 ! spec=NOE300, no=936, id=298, vol=2.729461e+07
assign (segid "   A" and resid   12 and name   HG) (segid "   A" and resid   12 and name  HB1) 2.447 0.748 0.748 weight 1.000 ! spec=NOE300, no=937, id=299, vol=8.420701e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HB1) 3.248 1.318 1.318 weight 1.000 ! spec=NOE300, no=941, id=300, vol=1.562650e+06
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   12 and name  HB1) 2.853 1.017 1.017 weight 1.000 ! spec=NOE300, no=942, id=301, vol=3.131876e+06
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1) 2.913 1.061 1.061 weight 1.000 ! spec=NOE300, no=948, id=304, vol=2.865004e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HD2) 2.797 0.978 0.978 weight 1.000 ! spec=NOE300, no=950, id=306, vol=4.034582e+06
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name  HB1) 1.989 0.494 0.494 weight 1.000 ! spec=NOE300, no=951, id=307, vol=2.818914e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB3) 2.937 1.079 1.079 weight 1.000 ! spec=NOE300, no=961, id=308, vol=2.580680e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name  HB3) 3.134 1.228 1.228 weight 1.000 ! spec=NOE300, no=962, id=309, vol=1.798729e+06
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    6 and name  HB3) 2.543 0.808 3.457 weight 1.000 ! spec=NOE300, no=964, id=310, vol=6.393769e+06
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB3) 3.433 1.473 1.473 weight 1.000 ! spec=NOE300, no=967, id=312, vol=1.042600e+06
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG12) 2.946 1.085 1.085 weight 1.000 ! spec=NOE300, no=973, id=313, vol=2.555187e+06
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG12) 2.614 0.854 0.854 weight 1.000 ! spec=NOE300, no=974, id=314, vol=5.566383e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG12) 2.722 0.926 0.926 weight 1.000 ! spec=NOE300, no=986, id=315, vol=4.034402e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG12) 2.497 0.779 0.779 weight 1.000 ! spec=NOE300, no=987, id=316, vol=7.508998e+06
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HG2) 2.649 0.877 0.877 weight 1.000 ! spec=NOE300, no=988, id=317, vol=5.421942e+06
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HG2) 2.487 0.773 0.773 weight 1.000 ! spec=NOE300, no=989, id=318, vol=7.617425e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HG2) 2.846 1.013 1.013 weight 1.000 ! spec=NOE300, no=994, id=319, vol=3.331601e+06
assign (segid "   A" and resid   19 and name  HE1) (segid "   A" and resid   19 and name  HG2) 3.043 1.158 1.158 weight 1.000 ! spec=NOE300, no=996, id=320, vol=2.128448e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   15 and name  HG2) 3.306 1.367 1.367 weight 1.000 ! spec=NOE300, no=1016, id=321, vol=1.300975e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HG2) 2.438 0.743 0.743 weight 1.000 ! spec=NOE300, no=1017, id=322, vol=8.320141e+06
assign (segid "   A" and resid   15 and name  HE2) (segid "   A" and resid   15 and name  HG2) 2.998 1.124 1.124 weight 1.000 ! spec=NOE300, no=1019, id=323, vol=2.419497e+06
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   15 and name  HG2) 3.020 1.140 1.140 weight 1.000 ! spec=NOE300, no=1020, id=324, vol=2.331576e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HG2) 2.382 0.710 0.710 weight 1.000 ! spec=NOE300, no=1024, id=325, vol=9.846293e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HG2) 2.399 0.719 0.719 weight 1.000 ! spec=NOE300, no=1025, id=326, vol=9.515667e+06
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HG2) 2.585 0.836 0.836 weight 1.000 ! spec=NOE300, no=1026, id=327, vol=6.284039e+06
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG21) 2.044 0.522 0.522 weight 1.000 ! spec=NOE300, no=1033, id=328, vol=2.179866e+07
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG21) 2.033 0.517 0.517 weight 1.000 ! spec=NOE300, no=1034, id=329, vol=2.085761e+07
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   13 and name HG21) 3.223 1.298 1.298 weight 1.000 ! spec=NOE300, no=1035, id=330, vol=1.497691e+06
    or (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   13 and name HG21) 3.267 1.334 1.334 weight 1.000 ! spec=NOE300, no=1036, id=331, vol=1.575873e+06
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG11) 2.663 0.886 0.886 weight 1.000 ! spec=NOE300, no=1046, id=333, vol=4.579372e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG11) 2.685 0.901 0.901 weight 1.000 ! spec=NOE300, no=1047, id=334, vol=4.911853e+06
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG11) 2.176 0.592 0.592 weight 1.000 ! spec=NOE300, no=1048, id=335, vol=1.718065e+07
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG11) 2.860 1.022 1.022 weight 1.000 ! spec=NOE300, no=1055, id=336, vol=3.104891e+06
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG11) 2.870 1.029 1.029 weight 1.000 ! spec=NOE300, no=1057, id=337, vol=3.165880e+06
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG11) 2.036 0.518 0.518 weight 1.000 ! spec=NOE300, no=1058, id=338, vol=2.460246e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG11) 2.498 0.780 0.780 weight 1.000 ! spec=NOE300, no=1078, id=339, vol=6.586792e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG11) 2.159 0.583 3.841 weight 1.000 ! spec=NOE300, no=1079, id=340, vol=1.649046e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG11) 3.433 1.473 1.473 weight 1.000 ! spec=NOE300, no=1080, id=341, vol=1.090460e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG11) 2.245 0.630 0.630 weight 1.000 ! spec=NOE300, no=1082, id=342, vol=1.372080e+07
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG11) 3.400 1.445 1.445 weight 1.000 ! spec=NOE300, no=1083, id=343, vol=1.179076e+06
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name HG11) 2.484 0.771 3.516 weight 1.000 ! spec=NOE300, no=1084, id=344, vol=6.953142e+06
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG11) 2.745 0.942 0.942 weight 1.000 ! spec=NOE300, no=1085, id=345, vol=3.794238e+06
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG11) 3.082 1.188 1.188 weight 1.000 ! spec=NOE300, no=1090, id=346, vol=1.971700e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD11) 2.801 0.981 0.981 weight 1.000 ! spec=NOE300, no=1092, id=347, vol=3.399660e+06
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD13)
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD12)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG11) 3.362 1.413 1.413 weight 1.000 ! spec=NOE300, no=1094, id=348, vol=1.131999e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG11) 2.104 0.553 0.553 weight 1.000 ! spec=NOE300, no=1095, id=349, vol=1.861378e+07
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   16 and name HG11) 2.475 0.765 0.765 weight 1.000 ! spec=NOE300, no=1096, id=350, vol=6.986751e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG23) 3.111 1.210 2.889 weight 1.000 ! spec=NOE300, no=1102, id=352, vol=2.011151e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD21) 2.372 0.704 3.628 weight 1.000 ! spec=NOE300, no=1103, id=353, vol=9.175569e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD21) 2.770 0.959 0.959 weight 1.000 ! spec=NOE300, no=1104, id=354, vol=3.602079e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG23) 3.409 1.453 2.591 weight 1.000 ! spec=NOE300, no=1106, id=355, vol=1.030665e+06
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG23) 3.390 1.437 1.437 weight 1.000 ! spec=NOE300, no=1107, id=356, vol=1.145586e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG22) 2.115 0.559 0.559 weight 1.000 ! spec=NOE300, no=1113, id=357, vol=1.934773e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG22) 3.167 1.254 2.833 weight 1.000 ! spec=NOE300, no=1114, id=358, vol=1.757258e+06
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    7 and name HG22) (segid "   A" and resid   11 and name  HB2) 3.146 1.238 1.238 weight 1.000 ! spec=NOE300, no=1115, id=359, vol=1.857729e+06
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG22) 3.302 1.363 2.698 weight 1.000 ! spec=NOE300, no=1116, id=360, vol=1.364542e+06
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG22) 2.170 0.589 0.589 weight 1.000 ! spec=NOE300, no=1117, id=361, vol=1.675003e+07
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD21) 2.027 0.513 0.513 weight 1.000 ! spec=NOE300, no=1118, id=362, vol=2.579157e+07
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    7 and name HG22) 1.828 0.418 0.418 weight 1.000 ! spec=NOE300, no=1122, id=364, vol=4.404456e+07
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD22) 2.807 0.985 0.985 weight 1.000 ! spec=NOE300, no=1124, id=365, vol=3.325443e+06
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD21)
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD23)
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name HG22) 2.855 1.019 1.019 weight 1.000 ! spec=NOE300, no=1125, id=366, vol=3.387194e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name HD11) 2.902 1.052 1.052 weight 1.000 ! spec=NOE300, no=1126, id=367, vol=3.106509e+06
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name HD11) 2.234 0.624 0.624 weight 1.000 ! spec=NOE300, no=1127, id=368, vol=1.441899e+07
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name HD22) 2.457 0.754 0.754 weight 1.000 ! spec=NOE300, no=1129, id=370, vol=8.289291e+06
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name HD21)
    or (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name HD23)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG23) 1.973 0.487 0.487 weight 1.000 ! spec=NOE300, no=1131, id=372, vol=2.820140e+07
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG22)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG23) 2.227 0.620 0.620 weight 1.000 ! spec=NOE300, no=1133, id=373, vol=1.514320e+07
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG22)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD13) 1.967 0.483 0.483 weight 1.000 ! spec=NOE300, no=1134, id=374, vol=2.988974e+07
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD11) 2.457 0.754 0.754 weight 1.000 ! spec=NOE300, no=1136, id=375, vol=8.495122e+06
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD12)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD13)
assign (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD11) 2.464 0.759 0.759 weight 1.000 ! spec=NOE300, no=1137, id=376, vol=8.411006e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD12)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD13)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD11) 2.539 0.806 0.806 weight 1.000 ! spec=NOE300, no=1138, id=377, vol=5.858128e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD11) 2.457 0.755 0.755 weight 1.000 ! spec=NOE300, no=1144, id=378, vol=7.942816e+06
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD11) 2.448 0.749 0.749 weight 1.000 ! spec=NOE300, no=1145, id=379, vol=8.062383e+06
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HD11) 2.579 0.831 0.831 weight 1.000 ! spec=NOE300, no=1150, id=380, vol=5.464677e+06
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG23) 2.220 0.616 0.616 weight 1.000 ! spec=NOE300, no=1159, id=381, vol=1.402024e+07
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG23) 3.406 1.450 1.450 weight 1.000 ! spec=NOE300, no=1160, id=382, vol=1.012315e+06
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG23) 2.687 0.902 0.902 weight 1.000 ! spec=NOE300, no=1162, id=383, vol=4.534300e+06
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG23) 2.603 0.847 0.847 weight 1.000 ! spec=NOE300, no=1163, id=384, vol=5.492935e+06
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HG23) 3.114 1.212 1.212 weight 1.000 ! spec=NOE300, no=1164, id=385, vol=1.670178e+06
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG23) 3.116 1.213 1.213 weight 1.000 ! spec=NOE300, no=1165, id=386, vol=1.781987e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG23) 2.342 0.686 0.686 weight 1.000 ! spec=NOE300, no=1166, id=387, vol=9.602811e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG23) 2.872 1.031 1.031 weight 1.000 ! spec=NOE300, no=1168, id=388, vol=3.024832e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    4 and name HG23) 3.111 1.210 1.210 weight 1.000 ! spec=NOE300, no=1169, id=389, vol=1.925425e+06
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG23) 2.176 0.592 0.592 weight 1.000 ! spec=NOE300, no=1170, id=390, vol=1.525653e+07
    or (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG11) 3.583 1.605 2.417 weight 1.000 ! spec=NOE300, no=1366, id=391, vol=8.149056e+05
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG11) 3.468 1.503 1.503 weight 1.000 ! spec=NOE300, no=1369, id=392, vol=9.474996e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG11) 3.361 1.412 1.412 weight 1.000 ! spec=NOE300, no=1370, id=393, vol=9.335444e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD11) 3.095 1.197 2.905 weight 1.000 ! spec=NOE300, no=1371, id=394, vol=1.927788e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HA) 3.455 1.492 1.492 weight 1.000 ! spec=NOE300, no=1372, id=395, vol=8.787178e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HA) 3.470 1.505 2.530 weight 1.000 ! spec=NOE300, no=1373, id=396, vol=8.780433e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD2) 3.469 1.504 2.531 weight 1.000 ! spec=NOE300, no=1374, id=397, vol=9.459301e+05
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=NOE300, no=1375, id=398, vol=2.865686e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    2 and name   HA) 3.025 1.144 2.975 weight 1.000 ! spec=NOE300, no=1376, id=399, vol=1.698389e+06
assign (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    5 and name  HD2) 3.643 1.659 1.659 weight 1.000 ! spec=NOE300, no=1377, id=400, vol=6.001859e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.454 1.491 1.491 weight 1.000 ! spec=NOE300, no=1378, id=401, vol=9.439249e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HE1) 3.593 1.614 1.614 weight 1.000 ! spec=NOE300, no=1380, id=402, vol=6.644723e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HE2)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HE1) 3.573 1.596 1.596 weight 1.000 ! spec=NOE300, no=1381, id=403, vol=7.711395e+05
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HE2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name  HB1) 3.643 1.659 1.659 weight 1.000 ! spec=NOE300, no=1388, id=404, vol=7.124715e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name  HB1) 3.636 1.653 1.653 weight 1.000 ! spec=NOE300, no=1389, id=405, vol=7.189460e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name  HB2) 3.549 1.574 1.574 weight 1.000 ! spec=NOE300, no=1390, id=406, vol=8.664678e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.459 1.495 1.495 weight 1.000 ! spec=NOE300, no=1391, id=407, vol=9.515122e+05
assign (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    5 and name  HB2) 3.540 1.566 1.566 weight 1.000 ! spec=NOE300, no=1392, id=408, vol=7.879963e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG23) 3.476 1.510 1.510 weight 1.000 ! spec=NOE300, no=1396, id=409, vol=8.914296e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG23) 3.543 1.569 1.569 weight 1.000 ! spec=NOE300, no=1397, id=410, vol=8.015456e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG23) 3.540 1.567 1.567 weight 1.000 ! spec=NOE300, no=1398, id=411, vol=7.928530e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG22)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG11) 3.619 1.638 1.638 weight 1.000 ! spec=NOE300, no=1400, id=412, vol=7.387275e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG21) 3.543 1.569 1.569 weight 1.000 ! spec=NOE300, no=1401, id=413, vol=8.609343e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HB1) 3.466 1.501 1.501 weight 1.000 ! spec=NOE300, no=1403, id=414, vol=1.013114e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HG2) 3.282 1.346 1.346 weight 1.000 ! spec=NOE300, no=1404, id=415, vol=1.155120e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HB2) 3.270 1.337 2.730 weight 1.000 ! spec=NOE300, no=1405, id=416, vol=1.468629e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HB) 3.492 1.524 1.524 weight 1.000 ! spec=NOE300, no=1406, id=417, vol=8.706822e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    6 and name  HB3) 3.544 1.570 1.570 weight 1.000 ! spec=NOE300, no=1409, id=418, vol=7.853425e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name   HG) 3.580 1.602 1.602 weight 1.000 ! spec=NOE300, no=1412, id=419, vol=8.276263e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name   HG) 3.657 1.672 1.672 weight 1.000 ! spec=NOE300, no=1413, id=420, vol=7.420596e+05
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HB1) 3.562 1.586 1.586 weight 1.000 ! spec=NOE300, no=1414, id=421, vol=8.467818e+05
assign (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HD11) 2.566 0.823 0.823 weight 1.000 ! spec=NOE300, no=1415, id=422, vol=5.587843e+06
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG11) (segid "   A" and resid    4 and name HD12)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HD11)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG12) (segid "   A" and resid    4 and name HD12)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HD11)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG13) (segid "   A" and resid    4 and name HD12)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name  HG2) 3.777 1.784 1.784 weight 1.000 ! spec=NOE300, no=1421, id=424, vol=6.216195e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name  HG2) 3.789 1.795 1.795 weight 1.000 ! spec=NOE300, no=1422, id=425, vol=5.577239e+05
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name  HB2) 3.752 1.760 1.760 weight 1.000 ! spec=NOE300, no=1425, id=426, vol=5.892799e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name  HB2) 3.846 1.849 1.849 weight 1.000 ! spec=NOE300, no=1426, id=427, vol=5.052277e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.963 1.963 1.963 weight 1.000 ! spec=NOE300, no=1427, id=428, vol=4.306472e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.734 1.743 1.743 weight 1.000 ! spec=NOE300, no=1430, id=429, vol=6.224846e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.929 1.929 1.929 weight 1.000 ! spec=NOE300, no=1435, id=430, vol=4.691012e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   11 and name   HA) 3.489 1.522 1.522 weight 1.000 ! spec=NOE300, no=1439, id=431, vol=9.086385e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD21) 3.544 1.570 1.570 weight 1.000 ! spec=NOE300, no=1440, id=432, vol=8.452161e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HN) 3.672 1.685 1.685 weight 1.000 ! spec=NOE300, no=1441, id=433, vol=6.877423e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HN) 3.592 1.613 1.613 weight 1.000 ! spec=NOE300, no=1442, id=434, vol=7.475384e+05
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG21) 3.685 1.697 1.697 weight 1.000 ! spec=NOE300, no=1448, id=435, vol=6.352383e+05
    or (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG21) 3.763 1.770 1.770 weight 1.000 ! spec=NOE300, no=1449, id=436, vol=5.319929e+05
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name  HD2) 3.423 1.465 1.465 weight 1.000 ! spec=NOE300, no=1451, id=437, vol=9.580648e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name  HD1) 3.413 1.456 1.456 weight 1.000 ! spec=NOE300, no=1452, id=438, vol=9.815487e+05
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   10 and name  HD1) 3.681 1.693 2.319 weight 1.000 ! spec=NOE300, no=1455, id=439, vol=6.062273e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HB1) 3.983 1.983 1.983 weight 1.000 ! spec=NOE300, no=1459, id=440, vol=3.992430e+05
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HB2) 3.894 1.896 1.896 weight 1.000 ! spec=NOE300, no=1460, id=441, vol=4.469145e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA) 3.799 1.804 1.804 weight 1.000 ! spec=NOE300, no=1461, id=442, vol=5.707752e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    2 and name   HA) 3.427 1.468 1.468 weight 1.000 ! spec=NOE300, no=1464, id=443, vol=8.254220e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name   HA) 3.777 1.783 1.783 weight 1.000 ! spec=NOE300, no=1465, id=444, vol=6.090222e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name   HB) 3.702 1.713 2.298 weight 1.000 ! spec=NOE300, no=1467, id=445, vol=7.000006e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   17 and name  HD1) 3.955 1.955 1.955 weight 1.000 ! spec=NOE300, no=1470, id=446, vol=4.781766e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name  HG2) 3.313 1.372 1.372 weight 1.000 ! spec=NOE300, no=1472, id=447, vol=1.326312e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name HG21) 3.474 1.508 1.508 weight 1.000 ! spec=NOE300, no=1473, id=448, vol=9.876245e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   15 and name  HG2) 3.665 1.679 1.679 weight 1.000 ! spec=NOE300, no=1474, id=449, vol=6.813845e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name   HN) 3.585 1.606 1.606 weight 1.000 ! spec=NOE300, no=1476, id=450, vol=7.651801e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   15 and name   HN) 3.967 1.967 1.967 weight 1.000 ! spec=NOE300, no=1477, id=451, vol=4.393074e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HA) 3.697 1.708 1.708 weight 1.000 ! spec=NOE300, no=1478, id=452, vol=6.739090e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   13 and name   HN) 3.534 1.561 1.561 weight 1.000 ! spec=NOE300, no=1480, id=453, vol=8.594165e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HA) 3.640 1.656 1.656 weight 1.000 ! spec=NOE300, no=1481, id=454, vol=7.909343e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   15 and name   HN) 3.557 1.582 1.582 weight 1.000 ! spec=NOE300, no=1482, id=455, vol=8.716149e+05
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name   HA) 3.627 1.644 1.644 weight 1.000 ! spec=NOE300, no=1483, id=456, vol=7.178805e+05
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    3 and name HD21) 3.229 1.303 1.303 weight 1.000 ! spec=NOE300, no=1489, id=458, vol=1.612946e+06
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG23) 3.166 1.253 1.253 weight 1.000 ! spec=NOE300, no=1490, id=459, vol=1.891603e+06
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   15 and name  HB2) 3.566 1.590 2.434 weight 1.000 ! spec=NOE300, no=1493, id=460, vol=8.666121e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG23) 2.961 1.096 1.096 weight 1.000 ! spec=NOE300, no=1503, id=461, vol=2.732085e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   16 and name HG11) 2.969 1.102 3.031 weight 1.000 ! spec=NOE300, no=1504, id=462, vol=2.594888e+06
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG23) 3.803 1.808 1.808 weight 1.000 ! spec=NOE300, no=1505, id=463, vol=5.865128e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG22)
# Restraints file 2: 22pep_free_ambig.tbl
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HN) 2.237 0.625 0.625 weight 1.000 ! spec=NOE300, no=20, id=19, vol=1.322841e+07
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.665 0.887 0.887 weight 1.000 ! spec=NOE300, no=24, id=23, vol=4.569081e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 1.964 0.482 0.482 weight 1.000 ! spec=NOE300, no=30, id=29, vol=2.901921e+07
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.323 0.674 0.674 weight 1.000 ! spec=NOE300, no=57, id=56, vol=9.407110e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB1) 2.585 0.835 0.835 weight 1.000 ! spec=NOE300, no=111, id=108, vol=5.888634e+06
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HG2) 2.254 0.635 0.635 weight 1.000 ! spec=NOE300, no=114, id=111, vol=1.304309e+07
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HG2)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.061 1.171 1.171 weight 1.000 ! spec=NOE300, no=130, id=124, vol=1.995185e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    7 and name   HA) 2.955 1.091 1.091 weight 1.000 ! spec=NOE300, no=266, id=185, vol=2.616432e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name  HA2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD1) 3.306 1.367 1.367 weight 1.000 ! spec=NOE300, no=329, id=201, vol=1.287942e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HB2) 1.926 0.464 0.464 weight 1.000 ! spec=NOE300, no=853, id=276, vol=3.634255e+07
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.201 0.605 0.605 weight 1.000 ! spec=NOE300, no=858, id=277, vol=1.589837e+07
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HB2) 1.793 0.402 0.402 weight 1.000 ! spec=NOE300, no=900, id=287, vol=5.705147e+07
    or (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   15 and name  HD1) 2.918 1.064 1.064 weight 1.000 ! spec=NOE300, no=945, id=302, vol=2.807611e+06
    or (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HD2) 2.706 0.916 0.916 weight 1.000 ! spec=NOE300, no=947, id=303, vol=4.695837e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HD1)
assign (segid "   A" and resid   15 and name  HE2) (segid "   A" and resid   15 and name  HD1) 2.955 1.091 1.091 weight 1.000 ! spec=NOE300, no=949, id=305, vol=2.841644e+06
    or (segid "   A" and resid   15 and name  HE2) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB3) 1.936 0.468 0.468 weight 1.000 ! spec=NOE300, no=965, id=311, vol=3.207230e+07
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    6 and name  HB3)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG11) 2.029 0.514 0.514 weight 1.000 ! spec=NOE300, no=1097, id=351, vol=2.399691e+07
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD21) 2.581 0.833 3.419 weight 1.000 ! spec=NOE300, no=1119, id=363, vol=5.763186e+06
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD22)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD22)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD22)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG23)
assign (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD13) 2.109 0.556 0.556 weight 1.000 ! spec=NOE300, no=1128, id=369, vol=1.994424e+07
    or (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG23) 2.822 0.995 0.995 weight 1.000 ! spec=NOE300, no=1130, id=371, vol=3.540524e+06
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   12 and name HD13)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   12 and name HD13)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   12 and name HD12)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD1) 3.792 1.798 1.798 weight 1.000 ! spec=NOE300, no=1485, id=457, vol=6.041162e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD2)
# Restraints file 3: 22pep_free_dihedral.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -60.95 29.05 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -41.31 28.69 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -65.04 24.96 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -43.23 26.77 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -64.41 25.59 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -44.83 25.17 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -64.77 25.23 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -41.75 28.25 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -63.43 26.57 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -43.65 26.35 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -60.74 19.26 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -39.77 30.23 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -60.77 29.23 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -36.18 33.82 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -57.44 32.56 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -43.05 26.95 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -58.28 21.72 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -44.45 25.55 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -58.12 31.88 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -35.61 24.39 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -74.79 15.21 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -34.93 25.07 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -63.95 36.05 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -32.59 37.41 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -75.11 34.89 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -14.93 25.07 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -74.81 25.19 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 154.63 44.63 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -57.63 32.37 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 141.45 21.45 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -71.82 28.18 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -32.15 37.85 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -73.99 26.01 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 153.73 43.73 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1 -10.990   6.794  -0.301
    2    H2   LEU   1           HT2      LEU   1 -10.285   6.850   1.232
    3    H3   LEU   1           HT3      LEU   1 -10.440   8.264   0.327
    4    HA   LEU   1           HA       LEU   1 -12.083   8.212   2.053
    5    HB2  LEU   1           HB2      LEU   1 -12.645   9.263  -0.091
    6    HB3  LEU   1           HB1      LEU   1 -13.257   7.730  -0.684
    7    HG   LEU   1           HG       LEU   1 -15.008   7.775   1.064
    8   HD11  LEU   1          HD11      LEU   1 -13.912  10.523   1.642
    9   HD12  LEU   1          HD12      LEU   1 -13.878   9.133   2.726
   10   HD13  LEU   1          HD13      LEU   1 -15.418   9.866   2.280
   11   HD21  LEU   1          HD21      LEU   1 -15.510   8.589  -1.153
   12   HD22  LEU   1          HD22      LEU   1 -14.881  10.183  -0.738
   13   HD23  LEU   1          HD23      LEU   1 -16.337   9.578   0.051
   14    H    ARG   2           HN       ARG   2 -12.951   5.664  -0.307
   15    HA   ARG   2           HA       ARG   2 -14.450   4.277   1.747
   16    HB2  ARG   2           HB2      ARG   2 -15.167   4.463  -0.683
   17    HB3  ARG   2           HB1      ARG   2 -13.870   3.326  -1.038
   18    HG2  ARG   2           HG2      ARG   2 -14.911   1.576   0.049
   19    HG3  ARG   2           HG1      ARG   2 -15.938   2.647   1.002
   20    HD2  ARG   2           HD2      ARG   2 -17.174   1.456  -0.777
   21    HD3  ARG   2           HD1      ARG   2 -17.246   3.208  -0.931
   22    HE   ARG   2           HE       ARG   2 -15.283   1.704  -2.509
   23   HH11  ARG   2          HH11      ARG   2 -18.182   3.657  -2.358
   24   HH12  ARG   2          HH12      ARG   2 -18.190   4.002  -4.057
   25   HH21  ARG   2          HH21      ARG   2 -15.297   2.154  -4.757
   26   HH22  ARG   2          HH22      ARG   2 -16.554   3.152  -5.418
   27    H    LEU   3           HN       LEU   3 -14.082   2.154   2.377
   28    HA   LEU   3           HA       LEU   3 -11.536   1.800   3.316
   29    HB2  LEU   3           HB2      LEU   3 -12.351  -0.608   3.787
   30    HB3  LEU   3           HB1      LEU   3 -13.070   0.752   4.630
   31    HG   LEU   3           HG       LEU   3 -14.910   0.664   2.846
   32   HD11  LEU   3          HD11      LEU   3 -15.263  -1.469   1.761
   33   HD12  LEU   3          HD12      LEU   3 -13.757  -2.086   2.437
   34   HD13  LEU   3          HD13      LEU   3 -13.721  -0.776   1.260
   35   HD21  LEU   3          HD21      LEU   3 -14.568  -1.615   4.774
   36   HD22  LEU   3          HD22      LEU   3 -16.089  -1.098   4.045
   37   HD23  LEU   3          HD23      LEU   3 -15.228  -0.023   5.145
   38    H    ILE   4           HN       ILE   4 -12.877   0.527   0.385
   39    HA   ILE   4           HA       ILE   4 -10.995  -1.477  -0.078
   40    HB   ILE   4           HB       ILE   4 -12.481   0.248  -2.064
   41   HG12  ILE   4          HG12      ILE   4 -13.927  -1.147  -0.683
   42   HG13  ILE   4          HG11      ILE   4 -13.894  -1.758  -2.330
   43   HG21  ILE   4          HG21      ILE   4 -10.914  -2.273  -2.584
   44   HG22  ILE   4          HG22      ILE   4 -10.467  -0.650  -3.104
   45   HG23  ILE   4          HG23      ILE   4 -11.914  -1.416  -3.757
   46   HD11  ILE   4          HD11      ILE   4 -13.816  -3.591  -0.786
   47   HD12  ILE   4          HD12      ILE   4 -12.421  -2.893   0.032
   48   HD13  ILE   4          HD13      ILE   4 -12.271  -3.474  -1.627
   49    H    HIS   5           HN       HIS   5 -10.898   1.989  -0.778
   50    HA   HIS   5           HA       HIS   5  -8.323   1.828  -2.059
   51    HB2  HIS   5           HB2      HIS   5 -10.028   4.143  -1.155
   52    HB3  HIS   5           HB1      HIS   5  -8.420   4.367  -1.826
   53    HD1  HIS   5           HD1      HIS   5  -8.569   5.045  -4.183
   54    HD2  HIS   5           HD2      HIS   5 -11.573   2.359  -3.162
   55    HE1  HIS   5           HE1      HIS   5  -9.918   4.706  -6.275
   56    HE2  HIS   5           HE2      HIS   5 -11.829   3.228  -5.582
   57    H    ALA   6           HN       ALA   6  -9.531   2.209   1.146
   58    HA   ALA   6           HA       ALA   6  -7.180   3.332   2.296
   59    HB1  ALA   6           HB1      ALA   6  -9.398   3.477   3.362
   60    HB2  ALA   6           HB2      ALA   6  -8.183   2.776   4.431
   61    HB3  ALA   6           HB3      ALA   6  -9.362   1.735   3.635
   62    H    VAL   7           HN       VAL   7  -8.491   0.027   2.094
   63    HA   VAL   7           HA       VAL   7  -6.227  -1.112   3.399
   64    HB   VAL   7           HB       VAL   7  -8.381  -2.230   3.530
   65   HG11  VAL   7          HG11      VAL   7  -9.311  -1.680   1.378
   66   HG12  VAL   7          HG12      VAL   7  -9.301  -3.433   1.590
   67   HG13  VAL   7          HG13      VAL   7  -8.090  -2.663   0.565
   68   HG21  VAL   7          HG21      VAL   7  -7.655  -4.514   3.017
   69   HG22  VAL   7          HG22      VAL   7  -6.380  -3.578   3.798
   70   HG23  VAL   7          HG23      VAL   7  -6.323  -3.868   2.059
   71    H    ARG   8           HN       ARG   8  -7.183  -0.743  -0.012
   72    HA   ARG   8           HA       ARG   8  -5.061  -2.173  -1.140
   73    HB2  ARG   8           HB2      ARG   8  -6.942  -0.105  -2.062
   74    HB3  ARG   8           HB1      ARG   8  -5.417  -0.150  -2.933
   75    HG2  ARG   8           HG2      ARG   8  -7.043  -1.504  -4.072
   76    HG3  ARG   8           HG1      ARG   8  -5.779  -2.531  -3.401
   77    HD2  ARG   8           HD2      ARG   8  -7.192  -3.209  -1.596
   78    HD3  ARG   8           HD1      ARG   8  -8.424  -2.037  -2.058
   79    HE   ARG   8           HE       ARG   8  -7.974  -3.734  -4.234
   80   HH11  ARG   8          HH11      ARG   8  -9.231  -3.930  -0.976
   81   HH12  ARG   8          HH12      ARG   8 -10.379  -5.172  -1.353
   82   HH21  ARG   8          HH21      ARG   8  -9.509  -5.351  -4.744
   83   HH22  ARG   8          HH22      ARG   8 -10.534  -5.978  -3.494
   84    H    GLY   9           HN       GLY   9  -5.311   1.327  -0.580
   85    HA2  GLY   9           HA2      GLY   9  -2.715   2.025  -1.264
   86    HA3  GLY   9           HA1      GLY   9  -3.714   2.905  -0.116
   87    H    TYR  10           HN       TYR  10  -3.960   0.698   1.730
   88    HA   TYR  10           HA       TYR  10  -1.795   1.107   3.407
   89    HB2  TYR  10           HB2      TYR  10  -3.689   0.258   4.459
   90    HB3  TYR  10           HB1      TYR  10  -3.920  -0.997   3.248
   91    HD1  TYR  10           HD1      TYR  10  -3.533  -3.148   3.936
   92    HD2  TYR  10           HD2      TYR  10  -1.310  -0.011   5.754
   93    HE1  TYR  10           HE1      TYR  10  -2.420  -4.788   5.389
   94    HE2  TYR  10           HE2      TYR  10  -0.194  -1.644   7.214
   95    HH   TYR  10           HH       TYR  10  -0.624  -3.911   8.111
   96    H    TRP  11           HN       TRP  11  -2.408  -1.884   1.488
   97    HA   TRP  11           HA       TRP  11   0.210  -2.808   2.201
   98    HB2  TRP  11           HB2      TRP  11  -0.275  -4.799   0.899
   99    HB3  TRP  11           HB1      TRP  11  -1.612  -4.402   1.956
  100    HD1  TRP  11           HD1      TRP  11  -3.901  -3.616   0.814
  101    HE1  TRP  11           HE1      TRP  11  -4.836  -4.040  -1.545
  102    HE3  TRP  11           HE3      TRP  11   0.418  -4.996  -1.525
  103    HZ2  TRP  11           HZ2      TRP  11  -3.862  -4.858  -4.072
  104    HZ3  TRP  11           HZ3      TRP  11   0.336  -5.596  -3.911
  105    HH2  TRP  11           HH2      TRP  11  -1.762  -5.525  -5.156
  106    H    LEU  12           HN       LEU  12  -1.196  -1.268  -0.596
  107    HA   LEU  12           HA       LEU  12   0.848  -1.720  -2.442
  108    HB2  LEU  12           HB2      LEU  12  -1.038   0.603  -2.114
  109    HB3  LEU  12           HB1      LEU  12   0.037   0.421  -3.485
  110    HG   LEU  12           HG       LEU  12  -2.064  -1.606  -2.720
  111   HD11  LEU  12          HD11      LEU  12  -3.120   0.503  -3.349
  112   HD12  LEU  12          HD12      LEU  12  -3.349  -0.706  -4.614
  113   HD13  LEU  12          HD13      LEU  12  -2.147   0.570  -4.819
  114   HD21  LEU  12          HD21      LEU  12  -0.376  -1.253  -5.200
  115   HD22  LEU  12          HD22      LEU  12  -1.671  -2.434  -5.005
  116   HD23  LEU  12          HD23      LEU  12  -0.224  -2.535  -4.001
  117    H    THR  13           HN       THR  13   0.668   0.561   0.218
  118    HA   THR  13           HA       THR  13   3.098   1.909  -0.659
  119    HB   THR  13           HB       THR  13   2.804   3.244   1.458
  120    HG1  THR  13           HG1      THR  13   0.219   2.061   1.558
  121   HG21  THR  13          HG21      THR  13   0.875   4.515   0.614
  122   HG22  THR  13          HG22      THR  13   0.487   3.181  -0.474
  123   HG23  THR  13          HG23      THR  13   1.991   4.078  -0.680
  124    H    ASN  14           HN       ASN  14   2.354  -0.851   1.032
  125    HA   ASN  14           HA       ASN  14   4.600  -0.599   2.899
  126    HB2  ASN  14           HB2      ASN  14   2.195  -2.358   2.770
  127    HB3  ASN  14           HB1      ASN  14   3.587  -2.864   3.718
  128   HD21  ASN  14          HD21      ASN  14   2.635   0.477   3.328
  129   HD22  ASN  14          HD22      ASN  14   2.117   0.722   4.959
  130    H    LYS  15           HN       LYS  15   3.498  -2.500   0.149
  131    HA   LYS  15           HA       LYS  15   5.506  -4.507   0.256
  132    HB2  LYS  15           HB2      LYS  15   4.150  -3.405  -2.212
  133    HB3  LYS  15           HB1      LYS  15   4.938  -4.967  -2.057
  134    HG2  LYS  15           HG2      LYS  15   2.481  -4.093  -0.572
  135    HG3  LYS  15           HG1      LYS  15   2.502  -5.136  -1.998
  136    HD2  LYS  15           HD2      LYS  15   3.877  -6.765  -0.751
  137    HD3  LYS  15           HD1      LYS  15   3.769  -5.733   0.676
  138    HE2  LYS  15           HE2      LYS  15   1.346  -5.997   0.690
  139    HE3  LYS  15           HE1      LYS  15   1.439  -7.009  -0.751
  140    HZ1  LYS  15           HZ1      LYS  15   1.253  -8.371   1.205
  141    HZ2  LYS  15           HZ2      LYS  15   2.598  -7.627   1.911
  142    HZ3  LYS  15           HZ3      LYS  15   2.789  -8.583   0.532
  143    H    VAL  16           HN       VAL  16   5.438  -1.262  -0.733
  144    HA   VAL  16           HA       VAL  16   7.956  -1.391  -2.178
  145    HB   VAL  16           HB       VAL  16   6.412  -0.014  -3.282
  146   HG11  VAL  16          HG11      VAL  16   5.040   1.680  -2.188
  147   HG12  VAL  16          HG12      VAL  16   5.769   1.276  -0.633
  148   HG13  VAL  16          HG13      VAL  16   4.765   0.087  -1.470
  149   HG21  VAL  16          HG21      VAL  16   8.023   1.889  -1.581
  150   HG22  VAL  16          HG22      VAL  16   7.297   2.248  -3.148
  151   HG23  VAL  16          HG23      VAL  16   8.606   1.073  -3.030
  152    HA   PRO  17           HA       PRO  17  10.163  -0.237   1.561
  153    HB2  PRO  17           HB2      PRO  17  12.332   0.429  -0.274
  154    HB3  PRO  17           HB1      PRO  17  12.306  -0.753   1.032
  155    HG2  PRO  17           HG2      PRO  17  12.326  -1.480  -1.573
  156    HG3  PRO  17           HG1      PRO  17  11.518  -2.435  -0.318
  157    HD2  PRO  17           HD2      PRO  17  10.346  -0.601  -2.358
  158    HD3  PRO  17           HD1      PRO  17   9.707  -2.121  -1.699
  159    H    ILE  18           HN       ILE  18   9.845   1.665   2.448
  160    HA   ILE  18           HA       ILE  18   9.613   4.035   0.794
  161    HB   ILE  18           HB       ILE  18   9.102   3.765   3.764
  162   HG12  ILE  18          HG12      ILE  18   7.126   3.651   1.471
  163   HG13  ILE  18          HG11      ILE  18   7.657   2.264   2.413
  164   HG21  ILE  18          HG21      ILE  18   7.808   5.826   3.485
  165   HG22  ILE  18          HG22      ILE  18   8.245   5.871   1.777
  166   HG23  ILE  18          HG23      ILE  18   9.492   6.058   3.010
  167   HD11  ILE  18          HD11      ILE  18   5.477   3.036   3.138
  168   HD12  ILE  18          HD12      ILE  18   6.139   4.637   3.467
  169   HD13  ILE  18          HD13      ILE  18   6.672   3.250   4.417
  170    H    LYS  19           HN       LYS  19  11.823   4.204   0.294
  171    HA   LYS  19           HA       LYS  19  13.774   4.578   2.371
  172    HB2  LYS  19           HB2      LYS  19  13.960   5.047  -0.610
  173    HB3  LYS  19           HB1      LYS  19  15.317   5.094   0.508
  174    HG2  LYS  19           HG2      LYS  19  14.885   2.731   1.077
  175    HG3  LYS  19           HG1      LYS  19  13.600   2.704  -0.132
  176    HD2  LYS  19           HD2      LYS  19  15.238   3.265  -1.871
  177    HD3  LYS  19           HD1      LYS  19  16.519   3.269  -0.657
  178    HE2  LYS  19           HE2      LYS  19  14.801   0.914  -1.434
  179    HE3  LYS  19           HE1      LYS  19  16.489   1.161  -1.878
  180    HZ1  LYS  19           HZ1      LYS  19  17.089   1.041   0.459
  181    HZ2  LYS  19           HZ2      LYS  19  16.264  -0.359  -0.009
  182    HZ3  LYS  19           HZ3      LYS  19  15.468   0.826   0.893
  183    H    ARG  20           HN       ARG  20  11.542   6.570   0.727
  184    HA   ARG  20           HA       ARG  20  12.976   9.026   1.120
  185    HB2  ARG  20           HB2      ARG  20  10.941  10.133   0.371
  186    HB3  ARG  20           HB1      ARG  20  11.346   8.805  -0.705
  187    HG2  ARG  20           HG2      ARG  20   9.648   7.418   0.300
  188    HG3  ARG  20           HG1      ARG  20   9.297   8.677   1.488
  189    HD2  ARG  20           HD2      ARG  20   9.024   9.081  -1.482
  190    HD3  ARG  20           HD1      ARG  20   7.701   8.524  -0.460
  191    HE   ARG  20           HE       ARG  20   8.809  10.902   0.602
  192   HH11  ARG  20          HH11      ARG  20   6.825   9.787  -2.066
  193   HH12  ARG  20          HH12      ARG  20   5.950  11.279  -2.197
  194   HH21  ARG  20          HH21      ARG  20   7.657  12.836   0.451
  195   HH22  ARG  20          HH22      ARG  20   6.420  13.020  -0.764
  196    HA   PRO  21           HA       PRO  21  11.599   9.552   5.374
  197    HB2  PRO  21           HB2      PRO  21  12.574  12.273   5.244
  198    HB3  PRO  21           HB1      PRO  21  13.241  10.908   6.138
  199    HG2  PRO  21           HG2      PRO  21  14.464  12.070   3.981
  200    HG3  PRO  21           HG1      PRO  21  14.727  10.394   4.488
  201    HD2  PRO  21           HD2      PRO  21  13.041  11.460   2.264
  202    HD3  PRO  21           HD1      PRO  21  14.023   9.984   2.346
  203    H    SER  22           HN       SER  22   9.475   9.580   3.981
  204    HA   SER  22           HA       SER  22   7.503  10.484   3.348
  205    HB2  SER  22           HB2      SER  22   6.452  11.993   5.060
  206    HB3  SER  22           HB1      SER  22   7.103  10.494   5.714
  207    HG   SER  22           HG       SER  22   8.981  12.440   5.732
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1  -9.968   8.928   0.576
    2    H2   LEU   1           HT2      LEU   1 -11.326   8.530  -0.341
    3    H3   LEU   1           HT3      LEU   1 -10.320   7.310   0.248
    4    HA   LEU   1           HA       LEU   1 -10.888   7.943   2.521
    5    HB2  LEU   1           HB2      LEU   1 -12.715   9.826   1.041
    6    HB3  LEU   1           HB1      LEU   1 -13.063   9.302   2.673
    7    HG   LEU   1           HG       LEU   1 -12.068  11.433   2.852
    8   HD11  LEU   1          HD11      LEU   1 -11.269   9.796   4.481
    9   HD12  LEU   1          HD12      LEU   1 -10.056  11.026   4.133
   10   HD13  LEU   1          HD13      LEU   1  -9.905   9.419   3.428
   11   HD21  LEU   1          HD21      LEU   1  -9.797  10.470   1.123
   12   HD22  LEU   1          HD22      LEU   1  -9.955  12.064   1.855
   13   HD23  LEU   1          HD23      LEU   1 -11.090  11.551   0.607
   14    H    ARG   2           HN       ARG   2 -11.137   5.712   1.164
   15    HA   ARG   2           HA       ARG   2 -13.849   4.848   1.797
   16    HB2  ARG   2           HB2      ARG   2 -13.593   5.440  -0.722
   17    HB3  ARG   2           HB1      ARG   2 -12.630   3.972  -0.795
   18    HG2  ARG   2           HG2      ARG   2 -14.855   3.446  -1.467
   19    HG3  ARG   2           HG1      ARG   2 -14.566   2.716   0.112
   20    HD2  ARG   2           HD2      ARG   2 -15.744   4.567   1.185
   21    HD3  ARG   2           HD1      ARG   2 -16.014   5.315  -0.387
   22    HE   ARG   2           HE       ARG   2 -17.132   2.885  -0.698
   23   HH11  ARG   2          HH11      ARG   2 -17.469   5.339   1.776
   24   HH12  ARG   2          HH12      ARG   2 -19.112   4.919   2.145
   25   HH21  ARG   2          HH21      ARG   2 -19.288   2.328  -0.209
   26   HH22  ARG   2          HH22      ARG   2 -20.141   3.185   1.035
   27    H    LEU   3           HN       LEU   3 -13.949   2.638   2.341
   28    HA   LEU   3           HA       LEU   3 -11.772   1.633   3.657
   29    HB2  LEU   3           HB2      LEU   3 -14.374   0.912   3.386
   30    HB3  LEU   3           HB1      LEU   3 -13.521  -0.389   2.593
   31    HG   LEU   3           HG       LEU   3 -13.084   0.470   5.445
   32   HD11  LEU   3          HD11      LEU   3 -15.241  -0.581   5.168
   33   HD12  LEU   3          HD12      LEU   3 -14.139  -1.690   5.986
   34   HD13  LEU   3          HD13      LEU   3 -14.507  -1.912   4.275
   35   HD21  LEU   3          HD21      LEU   3 -11.731  -1.557   5.621
   36   HD22  LEU   3          HD22      LEU   3 -11.062  -0.445   4.427
   37   HD23  LEU   3          HD23      LEU   3 -11.963  -1.865   3.900
   38    H    ILE   4           HN       ILE   4 -13.004   0.478   0.568
   39    HA   ILE   4           HA       ILE   4 -11.098  -1.487   0.122
   40    HB   ILE   4           HB       ILE   4 -12.577   0.134  -1.942
   41   HG12  ILE   4          HG12      ILE   4 -14.109  -0.930  -0.400
   42   HG13  ILE   4          HG11      ILE   4 -14.128  -1.803  -1.924
   43   HG21  ILE   4          HG21      ILE   4 -11.236  -2.556  -2.182
   44   HG22  ILE   4          HG22      ILE   4 -10.687  -1.052  -2.920
   45   HG23  ILE   4          HG23      ILE   4 -12.214  -1.777  -3.427
   46   HD11  ILE   4          HD11      ILE   4 -12.710  -2.643   0.587
   47   HD12  ILE   4          HD12      ILE   4 -12.648  -3.502  -0.952
   48   HD13  ILE   4          HD13      ILE   4 -14.177  -3.351  -0.088
   49    H    HIS   5           HN       HIS   5 -10.976   1.959  -0.638
   50    HA   HIS   5           HA       HIS   5  -8.470   1.681  -2.047
   51    HB2  HIS   5           HB2      HIS   5 -10.107   4.070  -1.229
   52    HB3  HIS   5           HB1      HIS   5  -8.511   4.234  -1.947
   53    HD1  HIS   5           HD1      HIS   5  -8.532   4.490  -4.394
   54    HD2  HIS   5           HD2      HIS   5 -11.878   2.446  -3.025
   55    HE1  HIS   5           HE1      HIS   5  -9.958   4.092  -6.418
   56    HE2  HIS   5           HE2      HIS   5 -11.877   2.687  -5.597
   57    H    ALA   6           HN       ALA   6  -9.503   2.100   1.196
   58    HA   ALA   6           HA       ALA   6  -7.080   3.317   2.150
   59    HB1  ALA   6           HB1      ALA   6  -7.955   2.870   4.371
   60    HB2  ALA   6           HB2      ALA   6  -9.209   1.835   3.691
   61    HB3  ALA   6           HB3      ALA   6  -9.212   3.565   3.347
   62    H    VAL   7           HN       VAL   7  -8.418   0.038   2.044
   63    HA   VAL   7           HA       VAL   7  -6.136  -1.129   3.295
   64    HB   VAL   7           HB       VAL   7  -8.217  -2.295   3.499
   65   HG11  VAL   7          HG11      VAL   7  -8.224  -2.497   0.495
   66   HG12  VAL   7          HG12      VAL   7  -9.337  -1.561   1.495
   67   HG13  VAL   7          HG13      VAL   7  -9.349  -3.323   1.572
   68   HG21  VAL   7          HG21      VAL   7  -6.214  -3.686   3.446
   69   HG22  VAL   7          HG22      VAL   7  -6.364  -3.849   1.696
   70   HG23  VAL   7          HG23      VAL   7  -7.594  -4.539   2.754
   71    H    ARG   8           HN       ARG   8  -7.145  -0.679  -0.084
   72    HA   ARG   8           HA       ARG   8  -5.058  -2.080  -1.295
   73    HB2  ARG   8           HB2      ARG   8  -6.970  -0.032  -2.121
   74    HB3  ARG   8           HB1      ARG   8  -5.433   0.082  -2.966
   75    HG2  ARG   8           HG2      ARG   8  -6.822  -1.293  -4.282
   76    HG3  ARG   8           HG1      ARG   8  -5.662  -2.357  -3.491
   77    HD2  ARG   8           HD2      ARG   8  -7.378  -2.838  -1.758
   78    HD3  ARG   8           HD1      ARG   8  -8.531  -1.901  -2.708
   79    HE   ARG   8           HE       ARG   8  -7.446  -4.528  -3.350
   80   HH11  ARG   8          HH11      ARG   8  -9.329  -1.770  -4.403
   81   HH12  ARG   8          HH12      ARG   8 -10.178  -2.661  -5.625
   82   HH21  ARG   8          HH21      ARG   8  -8.557  -5.691  -4.973
   83   HH22  ARG   8          HH22      ARG   8  -9.742  -4.883  -5.948
   84    H    GLY   9           HN       GLY   9  -5.231   1.420  -0.679
   85    HA2  GLY   9           HA2      GLY   9  -2.609   2.049  -1.338
   86    HA3  GLY   9           HA1      GLY   9  -3.589   2.947  -0.189
   87    H    TYR  10           HN       TYR  10  -3.903   0.688   1.603
   88    HA   TYR  10           HA       TYR  10  -1.699   0.992   3.279
   89    HB2  TYR  10           HB2      TYR  10  -3.683   0.263   4.297
   90    HB3  TYR  10           HB1      TYR  10  -3.917  -1.030   3.129
   91    HD1  TYR  10           HD1      TYR  10  -1.348  -0.006   5.669
   92    HD2  TYR  10           HD2      TYR  10  -3.589  -3.157   3.889
   93    HE1  TYR  10           HE1      TYR  10  -0.324  -1.610   7.228
   94    HE2  TYR  10           HE2      TYR  10  -2.570  -4.767   5.439
   95    HH   TYR  10           HH       TYR  10  -0.768  -3.801   8.182
   96    H    TRP  11           HN       TRP  11  -2.533  -1.989   1.414
   97    HA   TRP  11           HA       TRP  11  -0.014  -3.111   2.113
   98    HB2  TRP  11           HB2      TRP  11  -0.607  -5.015   0.750
   99    HB3  TRP  11           HB1      TRP  11  -1.973  -4.523   1.727
  100    HD1  TRP  11           HD1      TRP  11  -4.164  -3.778   0.496
  101    HE1  TRP  11           HE1      TRP  11  -4.952  -3.979  -1.941
  102    HE3  TRP  11           HE3      TRP  11   0.314  -4.859  -1.709
  103    HZ2  TRP  11           HZ2      TRP  11  -3.821  -4.515  -4.472
  104    HZ3  TRP  11           HZ3      TRP  11   0.376  -5.209  -4.144
  105    HH2  TRP  11           HH2      TRP  11  -1.651  -5.038  -5.495
  106    H    LEU  12           HN       LEU  12  -1.071  -1.141  -0.482
  107    HA   LEU  12           HA       LEU  12   1.002  -1.732  -2.313
  108    HB2  LEU  12           HB2      LEU  12  -0.748   0.687  -1.939
  109    HB3  LEU  12           HB1      LEU  12   0.404   0.532  -3.251
  110    HG   LEU  12           HG       LEU  12  -1.831  -1.443  -2.776
  111   HD11  LEU  12          HD11      LEU  12  -3.001  -0.306  -4.615
  112   HD12  LEU  12          HD12      LEU  12  -1.749   0.935  -4.648
  113   HD13  LEU  12          HD13      LEU  12  -2.784   0.762  -3.230
  114   HD21  LEU  12          HD21      LEU  12  -0.046  -0.895  -5.154
  115   HD22  LEU  12          HD22      LEU  12  -1.362  -2.068  -5.102
  116   HD23  LEU  12          HD23      LEU  12   0.054  -2.285  -4.075
  117    H    THR  13           HN       THR  13   0.627   0.916   0.056
  118    HA   THR  13           HA       THR  13   3.149   2.082  -0.530
  119    HB   THR  13           HB       THR  13   2.790   3.353   1.606
  120    HG1  THR  13           HG1      THR  13   0.218   2.155   1.677
  121   HG21  THR  13          HG21      THR  13   0.477   3.277  -0.328
  122   HG22  THR  13          HG22      THR  13   1.959   4.218  -0.513
  123   HG23  THR  13          HG23      THR  13   0.833   4.590   0.794
  124    H    ASN  14           HN       ASN  14   2.360  -0.696   1.126
  125    HA   ASN  14           HA       ASN  14   4.593  -0.541   2.999
  126    HB2  ASN  14           HB2      ASN  14   2.149  -2.177   2.720
  127    HB3  ASN  14           HB1      ASN  14   3.514  -2.905   3.563
  128   HD21  ASN  14          HD21      ASN  14   1.160  -0.335   3.592
  129   HD22  ASN  14          HD22      ASN  14   1.381   0.123   5.245
  130    H    LYS  15           HN       LYS  15   3.968  -1.632  -0.103
  131    HA   LYS  15           HA       LYS  15   5.987  -3.736  -0.073
  132    HB2  LYS  15           HB2      LYS  15   4.499  -2.439  -2.369
  133    HB3  LYS  15           HB1      LYS  15   5.557  -3.831  -2.498
  134    HG2  LYS  15           HG2      LYS  15   3.007  -3.730  -0.914
  135    HG3  LYS  15           HG1      LYS  15   3.182  -4.435  -2.521
  136    HD2  LYS  15           HD2      LYS  15   4.771  -6.065  -1.650
  137    HD3  LYS  15           HD1      LYS  15   4.654  -5.339  -0.046
  138    HE2  LYS  15           HE2      LYS  15   2.352  -6.575  -1.550
  139    HE3  LYS  15           HE1      LYS  15   3.288  -7.389  -0.297
  140    HZ1  LYS  15           HZ1      LYS  15   1.203  -6.427   0.524
  141    HZ2  LYS  15           HZ2      LYS  15   1.753  -4.882   0.109
  142    HZ3  LYS  15           HZ3      LYS  15   2.560  -5.777   1.298
  143    H    VAL  16           HN       VAL  16   5.901  -0.513   0.004
  144    HA   VAL  16           HA       VAL  16   8.058   0.038  -1.870
  145    HB   VAL  16           HB       VAL  16   6.714   2.124  -0.201
  146   HG11  VAL  16          HG11      VAL  16   7.075   3.499  -2.193
  147   HG12  VAL  16          HG12      VAL  16   7.762   2.105  -3.025
  148   HG13  VAL  16          HG13      VAL  16   8.576   2.778  -1.613
  149   HG21  VAL  16          HG21      VAL  16   4.871   0.758  -1.014
  150   HG22  VAL  16          HG22      VAL  16   5.502   0.872  -2.663
  151   HG23  VAL  16          HG23      VAL  16   4.907   2.318  -1.847
  152    HA   PRO  17           HA       PRO  17  10.837   0.063   1.659
  153    HB2  PRO  17           HB2      PRO  17  13.052   0.825   0.265
  154    HB3  PRO  17           HB1      PRO  17  12.456  -0.836   0.297
  155    HG2  PRO  17           HG2      PRO  17  12.125   1.258  -1.802
  156    HG3  PRO  17           HG1      PRO  17  12.410  -0.481  -1.988
  157    HD2  PRO  17           HD2      PRO  17   9.962   0.679  -2.289
  158    HD3  PRO  17           HD1      PRO  17  10.182  -0.995  -1.744
  159    H    ILE  18           HN       ILE  18  10.661   1.704   3.025
  160    HA   ILE  18           HA       ILE  18  11.321   4.411   2.093
  161    HB   ILE  18           HB       ILE  18   9.096   3.749   4.034
  162   HG12  ILE  18          HG12      ILE  18   8.973   4.691   1.162
  163   HG13  ILE  18          HG11      ILE  18   8.482   3.111   1.755
  164   HG21  ILE  18          HG21      ILE  18   8.557   6.144   3.858
  165   HG22  ILE  18          HG22      ILE  18   9.984   6.378   2.850
  166   HG23  ILE  18          HG23      ILE  18  10.165   5.869   4.528
  167   HD11  ILE  18          HD11      ILE  18   6.557   4.512   1.343
  168   HD12  ILE  18          HD12      ILE  18   7.191   5.742   2.436
  169   HD13  ILE  18          HD13      ILE  18   6.707   4.167   3.066
  170    H    LYS  19           HN       LYS  19  13.340   4.425   2.989
  171    HA   LYS  19           HA       LYS  19  13.697   3.560   5.743
  172    HB2  LYS  19           HB2      LYS  19  15.680   4.591   3.711
  173    HB3  LYS  19           HB1      LYS  19  16.103   4.045   5.327
  174    HG2  LYS  19           HG2      LYS  19  14.892   2.375   3.133
  175    HG3  LYS  19           HG1      LYS  19  16.556   2.305   3.718
  176    HD2  LYS  19           HD2      LYS  19  15.674   1.665   5.957
  177    HD3  LYS  19           HD1      LYS  19  14.058   1.604   5.257
  178    HE2  LYS  19           HE2      LYS  19  16.412  -0.066   4.388
  179    HE3  LYS  19           HE1      LYS  19  15.088  -0.620   5.408
  180    HZ1  LYS  19           HZ1      LYS  19  13.563  -0.183   3.570
  181    HZ2  LYS  19           HZ2      LYS  19  14.751  -1.301   3.136
  182    HZ3  LYS  19           HZ3      LYS  19  14.859   0.297   2.594
  183    H    ARG  20           HN       ARG  20  12.685   6.303   4.291
  184    HA   ARG  20           HA       ARG  20  14.041   8.186   6.038
  185    HB2  ARG  20           HB2      ARG  20  11.840   8.617   4.005
  186    HB3  ARG  20           HB1      ARG  20  12.728   9.888   4.836
  187    HG2  ARG  20           HG2      ARG  20  14.779   9.208   3.751
  188    HG3  ARG  20           HG1      ARG  20  13.947   7.861   2.971
  189    HD2  ARG  20           HD2      ARG  20  12.481   9.486   1.822
  190    HD3  ARG  20           HD1      ARG  20  13.410  10.798   2.547
  191    HE   ARG  20           HE       ARG  20  15.135   9.035   1.169
  192   HH11  ARG  20          HH11      ARG  20  12.749  11.534   0.598
  193   HH12  ARG  20          HH12      ARG  20  13.414  11.990  -0.939
  194   HH21  ARG  20          HH21      ARG  20  16.023   9.643  -0.839
  195   HH22  ARG  20          HH22      ARG  20  15.276  10.911  -1.760
  196    HA   PRO  21           HA       PRO  21  10.840   8.103   9.099
  197    HB2  PRO  21           HB2      PRO  21  11.271  10.841   9.881
  198    HB3  PRO  21           HB1      PRO  21  11.854   9.374  10.668
  199    HG2  PRO  21           HG2      PRO  21  13.472  11.202   9.407
  200    HG3  PRO  21           HG1      PRO  21  13.892   9.499   9.657
  201    HD2  PRO  21           HD2      PRO  21  12.845  10.857   7.206
  202    HD3  PRO  21           HD1      PRO  21  14.071   9.582   7.356
  203    H    SER  22           HN       SER  22  10.104   9.089   6.366
  204    HA   SER  22           HA       SER  22   7.504  10.034   6.946
  205    HB2  SER  22           HB2      SER  22   8.746  12.162   7.253
  206    HB3  SER  22           HB1      SER  22   9.387  12.008   5.619
  207    HG   SER  22           HG       SER  22   6.718  12.459   6.437
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1 -11.343   9.209   0.909
    2    H2   LEU   1           HT2      LEU   1 -12.012   8.308  -0.354
    3    H3   LEU   1           HT3      LEU   1 -11.073   7.543   0.823
    4    HA   LEU   1           HA       LEU   1 -12.687   7.987   2.504
    5    HB2  LEU   1           HB2      LEU   1 -14.197   9.334   0.269
    6    HB3  LEU   1           HB1      LEU   1 -14.878   8.965   1.840
    7    HG   LEU   1           HG       LEU   1 -12.577  10.852   1.325
    8   HD11  LEU   1          HD11      LEU   1 -14.162  12.586   1.989
    9   HD12  LEU   1          HD12      LEU   1 -15.435  11.372   2.112
   10   HD13  LEU   1          HD13      LEU   1 -14.707  11.728   0.546
   11   HD21  LEU   1          HD21      LEU   1 -14.033  10.164   3.876
   12   HD22  LEU   1          HD22      LEU   1 -12.830  11.441   3.694
   13   HD23  LEU   1          HD23      LEU   1 -12.363   9.752   3.487
   14    H    ARG   2           HN       ARG   2 -11.963   5.742   1.372
   15    HA   ARG   2           HA       ARG   2 -14.394   4.241   1.322
   16    HB2  ARG   2           HB2      ARG   2 -14.019   5.069  -1.098
   17    HB3  ARG   2           HB1      ARG   2 -12.668   3.942  -1.116
   18    HG2  ARG   2           HG2      ARG   2 -14.430   2.751  -2.069
   19    HG3  ARG   2           HG1      ARG   2 -14.351   2.169  -0.404
   20    HD2  ARG   2           HD2      ARG   2 -16.271   4.235  -1.481
   21    HD3  ARG   2           HD1      ARG   2 -16.662   2.564  -1.103
   22    HE   ARG   2           HE       ARG   2 -16.015   4.665   0.856
   23   HH11  ARG   2          HH11      ARG   2 -17.316   1.501   0.102
   24   HH12  ARG   2          HH12      ARG   2 -18.082   1.309   1.649
   25   HH21  ARG   2          HH21      ARG   2 -17.019   4.396   2.905
   26   HH22  ARG   2          HH22      ARG   2 -17.904   2.943   3.237
   27    H    LEU   3           HN       LEU   3 -14.026   2.295   2.135
   28    HA   LEU   3           HA       LEU   3 -11.578   1.726   3.306
   29    HB2  LEU   3           HB2      LEU   3 -12.685  -0.676   3.421
   30    HB3  LEU   3           HB1      LEU   3 -13.159   0.641   4.475
   31    HG   LEU   3           HG       LEU   3 -15.038   1.129   2.860
   32   HD11  LEU   3          HD11      LEU   3 -14.234   0.034   0.880
   33   HD12  LEU   3          HD12      LEU   3 -15.732  -0.740   1.397
   34   HD13  LEU   3          HD13      LEU   3 -14.180  -1.518   1.711
   35   HD21  LEU   3          HD21      LEU   3 -15.401  -0.039   4.949
   36   HD22  LEU   3          HD22      LEU   3 -14.983  -1.570   4.182
   37   HD23  LEU   3          HD23      LEU   3 -16.431  -0.699   3.678
   38    H    ILE   4           HN       ILE   4 -12.843   0.702   0.226
   39    HA   ILE   4           HA       ILE   4 -11.002  -1.328  -0.306
   40    HB   ILE   4           HB       ILE   4 -12.237   0.609  -2.270
   41   HG12  ILE   4          HG12      ILE   4 -13.927  -0.634  -1.047
   42   HG13  ILE   4          HG11      ILE   4 -13.830  -1.238  -2.693
   43   HG21  ILE   4          HG21      ILE   4 -11.756  -1.106  -3.968
   44   HG22  ILE   4          HG22      ILE   4 -10.887  -2.045  -2.754
   45   HG23  ILE   4          HG23      ILE   4 -10.287  -0.459  -3.237
   46   HD11  ILE   4          HD11      ILE   4 -12.480  -3.128  -1.896
   47   HD12  ILE   4          HD12      ILE   4 -14.079  -3.067  -1.155
   48   HD13  ILE   4          HD13      ILE   4 -12.667  -2.535  -0.246
   49    H    HIS   5           HN       HIS   5 -10.814   2.160  -0.851
   50    HA   HIS   5           HA       HIS   5  -8.189   2.109  -1.951
   51    HB2  HIS   5           HB2      HIS   5  -9.853   4.323  -0.757
   52    HB3  HIS   5           HB1      HIS   5  -8.225   4.591  -1.358
   53    HD1  HIS   5           HD1      HIS   5  -8.093   5.291  -3.711
   54    HD2  HIS   5           HD2      HIS   5 -11.604   3.221  -2.911
   55    HE1  HIS   5           HE1      HIS   5  -9.453   5.429  -5.812
   56    HE2  HIS   5           HE2      HIS   5 -11.637   4.302  -5.261
   57    H    ALA   6           HN       ALA   6  -9.511   2.231   1.270
   58    HA   ALA   6           HA       ALA   6  -7.178   3.198   2.577
   59    HB1  ALA   6           HB1      ALA   6  -8.293   2.549   4.637
   60    HB2  ALA   6           HB2      ALA   6  -9.481   1.624   3.718
   61    HB3  ALA   6           HB3      ALA   6  -9.416   3.379   3.559
   62    H    VAL   7           HN       VAL   7  -8.490  -0.057   2.010
   63    HA   VAL   7           HA       VAL   7  -6.308  -1.276   3.436
   64    HB   VAL   7           HB       VAL   7  -8.488  -2.349   3.504
   65   HG11  VAL   7          HG11      VAL   7  -8.145  -2.726   0.540
   66   HG12  VAL   7          HG12      VAL   7  -9.361  -1.733   1.347
   67   HG13  VAL   7          HG13      VAL   7  -9.395  -3.490   1.520
   68   HG21  VAL   7          HG21      VAL   7  -7.806  -4.642   2.925
   69   HG22  VAL   7          HG22      VAL   7  -6.549  -3.761   3.792
   70   HG23  VAL   7          HG23      VAL   7  -6.420  -3.990   2.048
   71    H    ARG   8           HN       ARG   8  -7.184  -0.796   0.024
   72    HA   ARG   8           HA       ARG   8  -5.070  -2.320  -1.049
   73    HB2  ARG   8           HB2      ARG   8  -6.940  -0.277  -2.080
   74    HB3  ARG   8           HB1      ARG   8  -5.427  -0.440  -2.959
   75    HG2  ARG   8           HG2      ARG   8  -7.098  -1.821  -3.985
   76    HG3  ARG   8           HG1      ARG   8  -5.874  -2.842  -3.233
   77    HD2  ARG   8           HD2      ARG   8  -7.348  -3.181  -1.307
   78    HD3  ARG   8           HD1      ARG   8  -8.576  -2.176  -2.076
   79    HE   ARG   8           HE       ARG   8  -7.847  -4.260  -3.823
   80   HH11  ARG   8          HH11      ARG   8  -9.565  -3.756  -0.818
   81   HH12  ARG   8          HH12      ARG   8 -10.610  -5.121  -1.034
   82   HH21  ARG   8          HH21      ARG   8  -9.219  -6.061  -4.115
   83   HH22  ARG   8          HH22      ARG   8 -10.411  -6.437  -2.910
   84    H    GLY   9           HN       GLY   9  -5.348   1.205  -0.644
   85    HA2  GLY   9           HA2      GLY   9  -2.741   1.859  -1.362
   86    HA3  GLY   9           HA1      GLY   9  -3.755   2.815  -0.290
   87    H    TYR  10           HN       TYR  10  -3.993   0.604   1.630
   88    HA   TYR  10           HA       TYR  10  -1.856   1.125   3.330
   89    HB2  TYR  10           HB2      TYR  10  -3.749   0.269   4.381
   90    HB3  TYR  10           HB1      TYR  10  -3.939  -1.027   3.209
   91    HD1  TYR  10           HD1      TYR  10  -1.355   0.088   5.695
   92    HD2  TYR  10           HD2      TYR  10  -3.552  -3.135   3.988
   93    HE1  TYR  10           HE1      TYR  10  -0.235  -1.478   7.226
   94    HE2  TYR  10           HE2      TYR  10  -2.435  -4.706   5.512
   95    HH   TYR  10           HH       TYR  10  -0.312  -4.823   6.794
   96    H    TRP  11           HN       TRP  11  -2.403  -1.955   1.531
   97    HA   TRP  11           HA       TRP  11   0.223  -2.804   2.291
   98    HB2  TRP  11           HB2      TRP  11  -0.224  -4.851   1.064
   99    HB3  TRP  11           HB1      TRP  11  -1.584  -4.428   2.087
  100    HD1  TRP  11           HD1      TRP  11  -3.877  -3.790   0.893
  101    HE1  TRP  11           HE1      TRP  11  -4.754  -4.259  -1.479
  102    HE3  TRP  11           HE3      TRP  11   0.538  -4.994  -1.367
  103    HZ2  TRP  11           HZ2      TRP  11  -3.703  -5.046  -3.983
  104    HZ3  TRP  11           HZ3      TRP  11   0.519  -5.607  -3.752
  105    HH2  TRP  11           HH2      TRP  11  -1.559  -5.629  -5.033
  106    H    LEU  12           HN       LEU  12  -1.142  -1.277  -0.503
  107    HA   LEU  12           HA       LEU  12   0.911  -1.845  -2.340
  108    HB2  LEU  12           HB2      LEU  12  -1.017   0.457  -2.140
  109    HB3  LEU  12           HB1      LEU  12   0.072   0.230  -3.491
  110    HG   LEU  12           HG       LEU  12  -1.980  -1.816  -2.668
  111   HD11  LEU  12          HD11      LEU  12  -3.354  -0.952  -4.482
  112   HD12  LEU  12          HD12      LEU  12  -2.158   0.300  -4.817
  113   HD13  LEU  12          HD13      LEU  12  -3.045   0.317  -3.294
  114   HD21  LEU  12          HD21      LEU  12  -0.128  -2.691  -3.977
  115   HD22  LEU  12          HD22      LEU  12  -0.348  -1.418  -5.177
  116   HD23  LEU  12          HD23      LEU  12  -1.596  -2.643  -4.953
  117    H    THR  13           HN       THR  13   0.667   0.548   0.199
  118    HA   THR  13           HA       THR  13   3.018   1.916  -0.818
  119    HB   THR  13           HB       THR  13   2.678   3.437   1.144
  120    HG1  THR  13           HG1      THR  13   0.146   2.239   1.501
  121   HG21  THR  13          HG21      THR  13   0.339   2.963  -0.709
  122   HG22  THR  13          HG22      THR  13   1.725   4.019  -0.999
  123   HG23  THR  13          HG23      THR  13   0.565   4.414   0.269
  124    H    ASN  14           HN       ASN  14   2.374  -0.712   1.044
  125    HA   ASN  14           HA       ASN  14   4.689  -0.370   2.806
  126    HB2  ASN  14           HB2      ASN  14   2.209  -2.001   2.875
  127    HB3  ASN  14           HB1      ASN  14   3.635  -2.630   3.700
  128   HD21  ASN  14          HD21      ASN  14   1.310  -0.025   3.604
  129   HD22  ASN  14          HD22      ASN  14   1.664   0.607   5.175
  130    H    LYS  15           HN       LYS  15   3.217  -2.953   0.836
  131    HA   LYS  15           HA       LYS  15   5.543  -4.592   0.920
  132    HB2  LYS  15           HB2      LYS  15   3.280  -4.730  -1.076
  133    HB3  LYS  15           HB1      LYS  15   4.380  -6.027  -0.632
  134    HG2  LYS  15           HG2      LYS  15   2.341  -4.751   1.172
  135    HG3  LYS  15           HG1      LYS  15   2.187  -6.322   0.383
  136    HD2  LYS  15           HD2      LYS  15   4.121  -7.151   1.621
  137    HD3  LYS  15           HD1      LYS  15   4.322  -5.573   2.383
  138    HE2  LYS  15           HE2      LYS  15   2.139  -5.795   3.438
  139    HE3  LYS  15           HE1      LYS  15   1.910  -7.359   2.657
  140    HZ1  LYS  15           HZ1      LYS  15   3.798  -8.217   3.881
  141    HZ2  LYS  15           HZ2      LYS  15   2.646  -7.593   4.946
  142    HZ3  LYS  15           HZ3      LYS  15   4.048  -6.713   4.613
  143    H    VAL  16           HN       VAL  16   4.385  -2.101  -1.118
  144    HA   VAL  16           HA       VAL  16   6.380  -2.658  -3.184
  145    HB   VAL  16           HB       VAL  16   4.371  -0.472  -3.391
  146   HG11  VAL  16          HG11      VAL  16   5.456  -2.452  -5.387
  147   HG12  VAL  16          HG12      VAL  16   5.989  -0.783  -5.179
  148   HG13  VAL  16          HG13      VAL  16   4.355  -1.123  -5.748
  149   HG21  VAL  16          HG21      VAL  16   3.686  -3.393  -3.687
  150   HG22  VAL  16          HG22      VAL  16   2.659  -2.052  -4.197
  151   HG23  VAL  16          HG23      VAL  16   3.044  -2.266  -2.481
  152    HA   PRO  17           HA       PRO  17   8.759   0.667  -1.328
  153    HB2  PRO  17           HB2      PRO  17  10.420   0.626  -3.707
  154    HB3  PRO  17           HB1      PRO  17  10.841   0.178  -2.055
  155    HG2  PRO  17           HG2      PRO  17  10.614  -1.630  -4.085
  156    HG3  PRO  17           HG1      PRO  17  10.334  -2.028  -2.382
  157    HD2  PRO  17           HD2      PRO  17   8.360  -1.534  -4.566
  158    HD3  PRO  17           HD1      PRO  17   8.284  -2.670  -3.203
  159    H    ILE  18           HN       ILE  18   8.037   2.668  -1.401
  160    HA   ILE  18           HA       ILE  18   7.709   3.996  -4.000
  161    HB   ILE  18           HB       ILE  18   5.830   4.337  -1.654
  162   HG12  ILE  18          HG12      ILE  18   5.441   2.897  -4.288
  163   HG13  ILE  18          HG11      ILE  18   5.484   2.160  -2.692
  164   HG21  ILE  18          HG21      ILE  18   5.724   5.453  -4.454
  165   HG22  ILE  18          HG22      ILE  18   6.113   6.359  -2.993
  166   HG23  ILE  18          HG23      ILE  18   4.499   5.680  -3.206
  167   HD11  ILE  18          HD11      ILE  18   3.386   4.033  -3.752
  168   HD12  ILE  18          HD12      ILE  18   3.445   3.413  -2.104
  169   HD13  ILE  18          HD13      ILE  18   3.216   2.303  -3.454
  170    H    LYS  19           HN       LYS  19   9.500   5.223  -3.894
  171    HA   LYS  19           HA       LYS  19  10.252   6.578  -1.452
  172    HB2  LYS  19           HB2      LYS  19  11.474   6.645  -4.217
  173    HB3  LYS  19           HB1      LYS  19  12.144   7.457  -2.811
  174    HG2  LYS  19           HG2      LYS  19  13.384   5.514  -2.913
  175    HG3  LYS  19           HG1      LYS  19  12.136   5.120  -1.737
  176    HD2  LYS  19           HD2      LYS  19  12.382   3.254  -3.210
  177    HD3  LYS  19           HD1      LYS  19  10.844   4.035  -3.568
  178    HE2  LYS  19           HE2      LYS  19  12.006   3.420  -5.619
  179    HE3  LYS  19           HE1      LYS  19  11.862   5.169  -5.480
  180    HZ1  LYS  19           HZ1      LYS  19  14.290   3.611  -4.782
  181    HZ2  LYS  19           HZ2      LYS  19  14.142   5.293  -4.760
  182    HZ3  LYS  19           HZ3      LYS  19  14.068   4.458  -6.226
  183    H    ARG  20           HN       ARG  20   8.750   7.317  -4.498
  184    HA   ARG  20           HA       ARG  20   8.904  10.137  -4.294
  185    HB2  ARG  20           HB2      ARG  20   7.224  10.194  -6.056
  186    HB3  ARG  20           HB1      ARG  20   8.464   9.007  -6.426
  187    HG2  ARG  20           HG2      ARG  20   6.988   7.207  -5.764
  188    HG3  ARG  20           HG1      ARG  20   5.757   8.372  -5.270
  189    HD2  ARG  20           HD2      ARG  20   6.818   7.986  -8.068
  190    HD3  ARG  20           HD1      ARG  20   5.252   7.441  -7.469
  191    HE   ARG  20           HE       ARG  20   5.351  10.160  -6.997
  192   HH11  ARG  20          HH11      ARG  20   5.492   8.060  -9.787
  193   HH12  ARG  20          HH12      ARG  20   4.801   9.235 -10.861
  194   HH21  ARG  20          HH21      ARG  20   4.433  11.698  -8.397
  195   HH22  ARG  20          HH22      ARG  20   4.182  11.299 -10.069
  196    HA   PRO  21           HA       PRO  21   5.966  10.863  -1.021
  197    HB2  PRO  21           HB2      PRO  21   5.622  13.471  -2.388
  198    HB3  PRO  21           HB1      PRO  21   6.067  13.130  -0.714
  199    HG2  PRO  21           HG2      PRO  21   7.875  14.014  -2.470
  200    HG3  PRO  21           HG1      PRO  21   8.300  12.823  -1.226
  201    HD2  PRO  21           HD2      PRO  21   7.796  12.420  -4.143
  202    HD3  PRO  21           HD1      PRO  21   8.975  11.631  -3.074
  203    H    SER  22           HN       SER  22   4.044   9.875  -1.199
  204    HA   SER  22           HA       SER  22   2.298  10.635  -3.441
  205    HB2  SER  22           HB2      SER  22   2.276   8.038  -1.889
  206    HB3  SER  22           HB1      SER  22   1.354   8.409  -3.348
  207    HG   SER  22           HG       SER  22   4.196   8.390  -3.198
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1 -13.225   7.226   3.450
    2    H2   LEU   1           HT2      LEU   1 -12.567   8.692   2.930
    3    H3   LEU   1           HT3      LEU   1 -11.944   7.235   2.349
    4    HA   LEU   1           HA       LEU   1 -14.644   8.315   1.833
    5    HB2  LEU   1           HB2      LEU   1 -12.293   7.890  -0.009
    6    HB3  LEU   1           HB1      LEU   1 -13.881   8.432  -0.504
    7    HG   LEU   1           HG       LEU   1 -11.964   9.938   1.271
    8   HD11  LEU   1          HD11      LEU   1 -11.294   9.915  -1.061
    9   HD12  LEU   1          HD12      LEU   1 -11.883  11.513  -0.604
   10   HD13  LEU   1          HD13      LEU   1 -12.909  10.432  -1.546
   11   HD21  LEU   1          HD21      LEU   1 -14.712  10.678   0.280
   12   HD22  LEU   1          HD22      LEU   1 -13.600  11.767   1.107
   13   HD23  LEU   1          HD23      LEU   1 -14.249  10.363   1.951
   14    H    ARG   2           HN       ARG   2 -12.409   5.612   1.604
   15    HA   ARG   2           HA       ARG   2 -14.571   3.753   1.277
   16    HB2  ARG   2           HB2      ARG   2 -14.135   4.631  -1.069
   17    HB3  ARG   2           HB1      ARG   2 -12.541   3.898  -0.949
   18    HG2  ARG   2           HG2      ARG   2 -13.541   2.150  -1.921
   19    HG3  ARG   2           HG1      ARG   2 -14.091   1.797  -0.283
   20    HD2  ARG   2           HD2      ARG   2 -15.614   3.314  -2.398
   21    HD3  ARG   2           HD1      ARG   2 -15.936   1.669  -1.863
   22    HE   ARG   2           HE       ARG   2 -16.095   3.280   0.388
   23   HH11  ARG   2          HH11      ARG   2 -17.724   2.968  -2.687
   24   HH12  ARG   2          HH12      ARG   2 -19.252   3.529  -2.087
   25   HH21  ARG   2          HH21      ARG   2 -18.094   4.035   1.196
   26   HH22  ARG   2          HH22      ARG   2 -19.460   4.142   0.133
   27    H    LEU   3           HN       LEU   3 -13.969   2.024   2.451
   28    HA   LEU   3           HA       LEU   3 -11.375   1.773   3.477
   29    HB2  LEU   3           HB2      LEU   3 -12.122  -0.584   4.084
   30    HB3  LEU   3           HB1      LEU   3 -12.956   0.768   4.830
   31    HG   LEU   3           HG       LEU   3 -14.694   0.405   2.919
   32   HD11  LEU   3          HD11      LEU   3 -14.876  -1.886   2.155
   33   HD12  LEU   3          HD12      LEU   3 -13.399  -2.314   3.015
   34   HD13  LEU   3          HD13      LEU   3 -13.332  -1.201   1.650
   35   HD21  LEU   3          HD21      LEU   3 -14.347  -1.482   5.232
   36   HD22  LEU   3          HD22      LEU   3 -15.838  -1.278   4.315
   37   HD23  LEU   3          HD23      LEU   3 -15.184   0.069   5.245
   38    H    ILE   4           HN       ILE   4 -12.835   0.476   0.619
   39    HA   ILE   4           HA       ILE   4 -10.970  -1.518   0.085
   40    HB   ILE   4           HB       ILE   4 -12.506   0.217  -1.855
   41   HG12  ILE   4          HG12      ILE   4 -13.904  -1.174  -0.408
   42   HG13  ILE   4          HG11      ILE   4 -13.951  -1.757  -2.067
   43   HG21  ILE   4          HG21      ILE   4 -10.969  -2.317  -2.413
   44   HG22  ILE   4          HG22      ILE   4 -10.529  -0.698  -2.952
   45   HG23  ILE   4          HG23      ILE   4 -11.999  -1.459  -3.559
   46   HD11  ILE   4          HD11      ILE   4 -12.340  -3.512  -1.478
   47   HD12  ILE   4          HD12      ILE   4 -13.825  -3.608  -0.534
   48   HD13  ILE   4          HD13      ILE   4 -12.362  -2.948   0.192
   49    H    HIS   5           HN       HIS   5 -10.972   1.905  -0.940
   50    HA   HIS   5           HA       HIS   5  -8.388   1.805  -2.095
   51    HB2  HIS   5           HB2      HIS   5 -10.215   4.003  -1.246
   52    HB3  HIS   5           HB1      HIS   5  -8.529   4.393  -1.544
   53    HD1  HIS   5           HD1      HIS   5  -8.039   5.055  -3.863
   54    HD2  HIS   5           HD2      HIS   5 -11.388   2.602  -3.625
   55    HE1  HIS   5           HE1      HIS   5  -8.953   4.928  -6.192
   56    HE2  HIS   5           HE2      HIS   5 -11.038   3.530  -6.017
   57    H    ALA   6           HN       ALA   6  -9.547   2.259   1.157
   58    HA   ALA   6           HA       ALA   6  -7.185   3.319   2.281
   59    HB1  ALA   6           HB1      ALA   6  -9.286   1.639   3.638
   60    HB2  ALA   6           HB2      ALA   6  -9.384   3.383   3.392
   61    HB3  ALA   6           HB3      ALA   6  -8.122   2.706   4.423
   62    H    VAL   7           HN       VAL   7  -8.420  -0.032   2.166
   63    HA   VAL   7           HA       VAL   7  -6.056  -1.100   3.331
   64    HB   VAL   7           HB       VAL   7  -8.117  -2.330   3.570
   65   HG11  VAL   7          HG11      VAL   7  -8.059  -2.676   0.580
   66   HG12  VAL   7          HG12      VAL   7  -9.220  -1.718   1.502
   67   HG13  VAL   7          HG13      VAL   7  -9.180  -3.473   1.684
   68   HG21  VAL   7          HG21      VAL   7  -6.167  -3.851   1.845
   69   HG22  VAL   7          HG22      VAL   7  -7.365  -4.560   2.930
   70   HG23  VAL   7          HG23      VAL   7  -6.036  -3.604   3.587
   71    H    ARG   8           HN       ARG   8  -7.150  -0.696  -0.021
   72    HA   ARG   8           HA       ARG   8  -5.085  -2.129  -1.260
   73    HB2  ARG   8           HB2      ARG   8  -6.972  -0.014  -2.097
   74    HB3  ARG   8           HB1      ARG   8  -5.520  -0.174  -3.073
   75    HG2  ARG   8           HG2      ARG   8  -7.335  -1.464  -4.018
   76    HG3  ARG   8           HG1      ARG   8  -6.049  -2.531  -3.458
   77    HD2  ARG   8           HD2      ARG   8  -7.286  -3.136  -1.520
   78    HD3  ARG   8           HD1      ARG   8  -8.493  -1.890  -1.830
   79    HE   ARG   8           HE       ARG   8  -8.557  -3.483  -4.050
   80   HH11  ARG   8          HH11      ARG   8  -8.955  -4.038  -0.616
   81   HH12  ARG   8          HH12      ARG   8 -10.088  -5.333  -0.827
   82   HH21  ARG   8          HH21      ARG   8 -10.040  -5.196  -4.328
   83   HH22  ARG   8          HH22      ARG   8 -10.710  -5.985  -2.935
   84    H    GLY   9           HN       GLY   9  -5.301   1.378  -0.699
   85    HA2  GLY   9           HA2      GLY   9  -2.688   2.000  -1.472
   86    HA3  GLY   9           HA1      GLY   9  -3.672   2.958  -0.378
   87    H    TYR  10           HN       TYR  10  -3.936   0.704   1.492
   88    HA   TYR  10           HA       TYR  10  -1.776   1.200   3.191
   89    HB2  TYR  10           HB2      TYR  10  -3.742   0.439   4.219
   90    HB3  TYR  10           HB1      TYR  10  -3.908  -0.915   3.110
   91    HD1  TYR  10           HD1      TYR  10  -1.670   0.369   5.809
   92    HD2  TYR  10           HD2      TYR  10  -3.252  -3.022   3.781
   93    HE1  TYR  10           HE1      TYR  10  -0.586  -1.109   7.448
   94    HE2  TYR  10           HE2      TYR  10  -2.168  -4.508   5.414
   95    HH   TYR  10           HH       TYR  10  -0.280  -4.461   6.976
   96    H    TRP  11           HN       TRP  11  -2.446  -1.749   1.239
   97    HA   TRP  11           HA       TRP  11   0.135  -2.767   2.000
   98    HB2  TRP  11           HB2      TRP  11  -0.396  -4.741   0.721
   99    HB3  TRP  11           HB1      TRP  11  -1.749  -4.299   1.740
  100    HD1  TRP  11           HD1      TRP  11  -4.014  -3.628   0.555
  101    HE1  TRP  11           HE1      TRP  11  -4.877  -3.981  -1.841
  102    HE3  TRP  11           HE3      TRP  11   0.406  -4.748  -1.742
  103    HZ2  TRP  11           HZ2      TRP  11  -3.828  -4.647  -4.365
  104    HZ3  TRP  11           HZ3      TRP  11   0.389  -5.243  -4.151
  105    HH2  TRP  11           HH2      TRP  11  -1.687  -5.193  -5.435
  106    H    LEU  12           HN       LEU  12  -1.188  -1.074  -0.722
  107    HA   LEU  12           HA       LEU  12   0.869  -1.606  -2.571
  108    HB2  LEU  12           HB2      LEU  12  -1.008   0.729  -2.277
  109    HB3  LEU  12           HB1      LEU  12   0.097   0.548  -3.623
  110    HG   LEU  12           HG       LEU  12  -2.005  -1.496  -2.928
  111   HD11  LEU  12          HD11      LEU  12  -3.069   0.642  -3.483
  112   HD12  LEU  12          HD12      LEU  12  -3.315  -0.544  -4.764
  113   HD13  LEU  12          HD13      LEU  12  -2.118   0.735  -4.965
  114   HD21  LEU  12          HD21      LEU  12  -0.337  -1.023  -5.402
  115   HD22  LEU  12          HD22      LEU  12  -1.600  -2.241  -5.234
  116   HD23  LEU  12          HD23      LEU  12  -0.143  -2.342  -4.247
  117    H    THR  13           HN       THR  13   0.725   0.481   0.185
  118    HA   THR  13           HA       THR  13   3.235   1.751  -0.572
  119    HB   THR  13           HB       THR  13   2.971   2.909   1.681
  120    HG1  THR  13           HG1      THR  13   0.256   2.119   1.492
  121   HG21  THR  13          HG21      THR  13   2.435   3.967  -0.468
  122   HG22  THR  13          HG22      THR  13   1.329   4.487   0.803
  123   HG23  THR  13          HG23      THR  13   0.806   3.295  -0.388
  124    H    ASN  14           HN       ASN  14   2.017  -0.686   1.631
  125    HA   ASN  14           HA       ASN  14   4.390  -0.606   3.286
  126    HB2  ASN  14           HB2      ASN  14   1.740  -1.929   3.426
  127    HB3  ASN  14           HB1      ASN  14   3.056  -2.589   4.394
  128   HD21  ASN  14          HD21      ASN  14   1.032   0.208   3.836
  129   HD22  ASN  14          HD22      ASN  14   1.349   0.975   5.355
  130    H    LYS  15           HN       LYS  15   2.950  -2.913   0.976
  131    HA   LYS  15           HA       LYS  15   4.762  -5.035   1.565
  132    HB2  LYS  15           HB2      LYS  15   3.175  -4.494  -0.931
  133    HB3  LYS  15           HB1      LYS  15   4.057  -5.974  -0.599
  134    HG2  LYS  15           HG2      LYS  15   2.627  -6.111   1.521
  135    HG3  LYS  15           HG1      LYS  15   1.621  -4.901   0.717
  136    HD2  LYS  15           HD2      LYS  15   1.378  -6.396  -1.210
  137    HD3  LYS  15           HD1      LYS  15   2.388  -7.590  -0.404
  138    HE2  LYS  15           HE2      LYS  15  -0.266  -6.596   0.624
  139    HE3  LYS  15           HE1      LYS  15  -0.026  -8.097  -0.262
  140    HZ1  LYS  15           HZ1      LYS  15   1.227  -7.435   2.346
  141    HZ2  LYS  15           HZ2      LYS  15   1.390  -8.891   1.504
  142    HZ3  LYS  15           HZ3      LYS  15  -0.113  -8.445   2.134
  143    H    VAL  16           HN       VAL  16   5.261  -2.118   0.278
  144    HA   VAL  16           HA       VAL  16   7.208  -2.878  -1.745
  145    HB   VAL  16           HB       VAL  16   6.511  -0.078  -0.936
  146   HG11  VAL  16          HG11      VAL  16   7.286  -1.311  -3.572
  147   HG12  VAL  16          HG12      VAL  16   8.343  -0.378  -2.513
  148   HG13  VAL  16          HG13      VAL  16   6.962   0.398  -3.290
  149   HG21  VAL  16          HG21      VAL  16   4.401  -1.309  -1.183
  150   HG22  VAL  16          HG22      VAL  16   4.910  -1.827  -2.796
  151   HG23  VAL  16          HG23      VAL  16   4.626  -0.117  -2.471
  152    HA   PRO  17           HA       PRO  17  10.271  -2.444   1.550
  153    HB2  PRO  17           HB2      PRO  17  12.387  -3.214   0.005
  154    HB3  PRO  17           HB1      PRO  17  11.308  -4.351   0.821
  155    HG2  PRO  17           HG2      PRO  17  11.330  -3.470  -2.033
  156    HG3  PRO  17           HG1      PRO  17  11.026  -5.082  -1.358
  157    HD2  PRO  17           HD2      PRO  17   9.041  -3.450  -2.217
  158    HD3  PRO  17           HD1      PRO  17   8.824  -4.604  -0.886
  159    H    ILE  18           HN       ILE  18  11.143  -0.540   2.059
  160    HA   ILE  18           HA       ILE  18  11.743   1.372  -0.033
  161    HB   ILE  18           HB       ILE  18  12.081   1.719   2.954
  162   HG12  ILE  18          HG12      ILE  18   9.738   2.484   1.195
  163   HG13  ILE  18          HG11      ILE  18   9.745   1.159   2.352
  164   HG21  ILE  18          HG21      ILE  18  11.969   4.121   2.419
  165   HG22  ILE  18          HG22      ILE  18  11.899   3.720   0.702
  166   HG23  ILE  18          HG23      ILE  18  13.339   3.328   1.641
  167   HD11  ILE  18          HD11      ILE  18  10.051   2.755   4.173
  168   HD12  ILE  18          HD12      ILE  18   8.596   3.104   3.238
  169   HD13  ILE  18          HD13      ILE  18  10.047   4.080   3.009
  170    H    LYS  19           HN       LYS  19  13.406  -0.136  -0.847
  171    HA   LYS  19           HA       LYS  19  15.812  -0.550   0.603
  172    HB2  LYS  19           HB2      LYS  19  14.908  -1.921  -1.347
  173    HB3  LYS  19           HB1      LYS  19  15.471  -0.624  -2.392
  174    HG2  LYS  19           HG2      LYS  19  17.744  -0.957  -1.592
  175    HG3  LYS  19           HG1      LYS  19  17.173  -2.247  -0.536
  176    HD2  LYS  19           HD2      LYS  19  16.404  -3.496  -2.518
  177    HD3  LYS  19           HD1      LYS  19  17.049  -2.216  -3.549
  178    HE2  LYS  19           HE2      LYS  19  18.611  -4.070  -3.424
  179    HE3  LYS  19           HE1      LYS  19  19.291  -2.637  -2.657
  180    HZ1  LYS  19           HZ1      LYS  19  18.035  -4.927  -1.244
  181    HZ2  LYS  19           HZ2      LYS  19  18.675  -3.551  -0.503
  182    HZ3  LYS  19           HZ3      LYS  19  19.693  -4.610  -1.335
  183    H    ARG  20           HN       ARG  20  14.790   1.666  -1.935
  184    HA   ARG  20           HA       ARG  20  17.215   3.258  -1.547
  185    HB2  ARG  20           HB2      ARG  20  15.038   3.364  -3.645
  186    HB3  ARG  20           HB1      ARG  20  16.356   4.527  -3.546
  187    HG2  ARG  20           HG2      ARG  20  17.975   2.786  -3.926
  188    HG3  ARG  20           HG1      ARG  20  16.711   1.562  -3.898
  189    HD2  ARG  20           HD2      ARG  20  17.363   2.072  -6.183
  190    HD3  ARG  20           HD1      ARG  20  15.698   2.566  -5.887
  191    HE   ARG  20           HE       ARG  20  17.386   4.758  -5.413
  192   HH11  ARG  20          HH11      ARG  20  16.339   2.752  -8.080
  193   HH12  ARG  20          HH12      ARG  20  16.417   4.035  -9.245
  194   HH21  ARG  20          HH21      ARG  20  17.514   6.448  -6.951
  195   HH22  ARG  20          HH22      ARG  20  17.097   6.135  -8.606
  196    HA   PRO  21           HA       PRO  21  15.447   6.036   1.364
  197    HB2  PRO  21           HB2      PRO  21  16.710   8.064  -0.434
  198    HB3  PRO  21           HB1      PRO  21  16.798   7.913   1.324
  199    HG2  PRO  21           HG2      PRO  21  18.811   7.118  -0.254
  200    HG3  PRO  21           HG1      PRO  21  18.398   6.254   1.236
  201    HD2  PRO  21           HD2      PRO  21  17.989   5.449  -1.577
  202    HD3  PRO  21           HD1      PRO  21  18.119   4.449  -0.119
  203    H    SER  22           HN       SER  22  13.262   6.121   1.119
  204    HA   SER  22           HA       SER  22  12.224   8.049  -0.837
  205    HB2  SER  22           HB2      SER  22  10.887   5.410  -0.184
  206    HB3  SER  22           HB1      SER  22  10.370   6.595  -1.383
  207    HG   SER  22           HG       SER  22  12.814   5.130  -1.434
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1 -13.473   7.646   2.522
    2    H2   LEU   1           HT2      LEU   1 -12.310   8.862   2.667
    3    H3   LEU   1           HT3      LEU   1 -11.876   7.245   2.904
    4    HA   LEU   1           HA       LEU   1 -12.869   8.374   0.373
    5    HB2  LEU   1           HB2      LEU   1 -10.478   7.968  -0.379
    6    HB3  LEU   1           HB1      LEU   1 -10.795   9.368   0.625
    7    HG   LEU   1           HG       LEU   1 -10.067   7.761   2.573
    8   HD11  LEU   1          HD11      LEU   1  -9.881   5.752   1.187
    9   HD12  LEU   1          HD12      LEU   1  -8.338   6.190   1.918
   10   HD13  LEU   1          HD13      LEU   1  -8.638   6.542   0.215
   11   HD21  LEU   1          HD21      LEU   1  -8.986   9.835   1.924
   12   HD22  LEU   1          HD22      LEU   1  -8.125   8.992   0.637
   13   HD23  LEU   1          HD23      LEU   1  -7.799   8.593   2.324
   14    H    ARG   2           HN       ARG   2 -13.911   6.074   1.627
   15    HA   ARG   2           HA       ARG   2 -14.587   3.979   1.058
   16    HB2  ARG   2           HB2      ARG   2 -14.229   4.793  -1.314
   17    HB3  ARG   2           HB1      ARG   2 -12.639   4.053  -1.228
   18    HG2  ARG   2           HG2      ARG   2 -13.983   2.495  -2.331
   19    HG3  ARG   2           HG1      ARG   2 -13.829   1.887  -0.683
   20    HD2  ARG   2           HD2      ARG   2 -16.159   3.564  -1.575
   21    HD3  ARG   2           HD1      ARG   2 -16.143   1.814  -1.749
   22    HE   ARG   2           HE       ARG   2 -16.156   3.302   0.792
   23   HH11  ARG   2          HH11      ARG   2 -16.498   0.305  -0.989
   24   HH12  ARG   2          HH12      ARG   2 -17.225  -0.548   0.333
   25   HH21  ARG   2          HH21      ARG   2 -17.122   2.174   2.549
   26   HH22  ARG   2          HH22      ARG   2 -17.587   0.515   2.340
   27    H    LEU   3           HN       LEU   3 -14.021   2.321   2.256
   28    HA   LEU   3           HA       LEU   3 -11.458   2.051   3.319
   29    HB2  LEU   3           HB2      LEU   3 -12.316  -0.263   4.026
   30    HB3  LEU   3           HB1      LEU   3 -13.081   1.167   4.696
   31    HG   LEU   3           HG       LEU   3 -14.806   0.818   2.766
   32   HD11  LEU   3          HD11      LEU   3 -13.536  -0.930   1.605
   33   HD12  LEU   3          HD12      LEU   3 -15.121  -1.500   2.126
   34   HD13  LEU   3          HD13      LEU   3 -13.678  -1.966   3.025
   35   HD21  LEU   3          HD21      LEU   3 -15.363   0.643   5.090
   36   HD22  LEU   3          HD22      LEU   3 -14.620  -0.951   5.185
   37   HD23  LEU   3          HD23      LEU   3 -16.080  -0.715   4.224
   38    H    ILE   4           HN       ILE   4 -12.889   0.626   0.508
   39    HA   ILE   4           HA       ILE   4 -11.057  -1.435   0.125
   40    HB   ILE   4           HB       ILE   4 -12.483   0.218  -1.968
   41   HG12  ILE   4          HG12      ILE   4 -14.008  -0.966  -0.477
   42   HG13  ILE   4          HG11      ILE   4 -14.017  -1.713  -2.068
   43   HG21  ILE   4          HG21      ILE   4 -12.030  -1.641  -3.508
   44   HG22  ILE   4          HG22      ILE   4 -11.045  -2.416  -2.268
   45   HG23  ILE   4          HG23      ILE   4 -10.547  -0.870  -2.949
   46   HD11  ILE   4          HD11      ILE   4 -14.051  -3.401  -0.356
   47   HD12  ILE   4          HD12      ILE   4 -12.592  -2.735   0.374
   48   HD13  ILE   4          HD13      ILE   4 -12.520  -3.469  -1.227
   49    H    HIS   5           HN       HIS   5 -10.932   1.982  -0.791
   50    HA   HIS   5           HA       HIS   5  -8.386   1.824  -2.058
   51    HB2  HIS   5           HB2      HIS   5  -9.991   4.129  -0.971
   52    HB3  HIS   5           HB1      HIS   5  -8.384   4.356  -1.644
   53    HD1  HIS   5           HD1      HIS   5  -8.377   4.939  -4.032
   54    HD2  HIS   5           HD2      HIS   5 -11.765   2.776  -2.984
   55    HE1  HIS   5           HE1      HIS   5  -9.788   4.847  -6.101
   56    HE2  HIS   5           HE2      HIS   5 -11.903   3.679  -5.401
   57    H    ALA   6           HN       ALA   6  -9.484   2.328   1.220
   58    HA   ALA   6           HA       ALA   6  -7.058   3.251   2.316
   59    HB1  ALA   6           HB1      ALA   6  -9.233   1.668   3.680
   60    HB2  ALA   6           HB2      ALA   6  -9.213   3.420   3.479
   61    HB3  ALA   6           HB3      ALA   6  -7.988   2.633   4.473
   62    H    VAL   7           HN       VAL   7  -8.450  -0.034   2.173
   63    HA   VAL   7           HA       VAL   7  -6.160  -1.248   3.334
   64    HB   VAL   7           HB       VAL   7  -8.253  -2.391   3.548
   65   HG11  VAL   7          HG11      VAL   7  -9.400  -3.395   1.607
   66   HG12  VAL   7          HG12      VAL   7  -8.288  -2.531   0.544
   67   HG13  VAL   7          HG13      VAL   7  -9.397  -1.629   1.582
   68   HG21  VAL   7          HG21      VAL   7  -6.443  -3.945   1.702
   69   HG22  VAL   7          HG22      VAL   7  -7.669  -4.633   2.770
   70   HG23  VAL   7          HG23      VAL   7  -6.269  -3.805   3.451
   71    H    ARG   8           HN       ARG   8  -7.196  -0.786  -0.045
   72    HA   ARG   8           HA       ARG   8  -5.116  -2.261  -1.223
   73    HB2  ARG   8           HB2      ARG   8  -6.979  -0.152  -2.141
   74    HB3  ARG   8           HB1      ARG   8  -5.504  -0.342  -3.078
   75    HG2  ARG   8           HG2      ARG   8  -7.296  -1.649  -4.041
   76    HG3  ARG   8           HG1      ARG   8  -6.029  -2.704  -3.420
   77    HD2  ARG   8           HD2      ARG   8  -7.344  -3.133  -1.421
   78    HD3  ARG   8           HD1      ARG   8  -8.602  -2.043  -2.001
   79    HE   ARG   8           HE       ARG   8  -8.403  -3.853  -3.998
   80   HH11  ARG   8          HH11      ARG   8  -8.827  -4.127  -0.544
   81   HH12  ARG   8          HH12      ARG   8  -9.689  -5.626  -0.628
   82   HH21  ARG   8          HH21      ARG   8  -9.562  -5.819  -4.135
   83   HH22  ARG   8          HH22      ARG   8 -10.116  -6.589  -2.682
   84    H    GLY   9           HN       GLY   9  -5.339   1.252  -0.703
   85    HA2  GLY   9           HA2      GLY   9  -2.732   1.905  -1.424
   86    HA3  GLY   9           HA1      GLY   9  -3.717   2.822  -0.295
   87    H    TYR  10           HN       TYR  10  -3.981   0.562   1.541
   88    HA   TYR  10           HA       TYR  10  -1.841   1.007   3.251
   89    HB2  TYR  10           HB2      TYR  10  -3.705   0.128   4.312
   90    HB3  TYR  10           HB1      TYR  10  -3.961  -1.100   3.078
   91    HD1  TYR  10           HD1      TYR  10  -3.440  -3.281   3.583
   92    HD2  TYR  10           HD2      TYR  10  -1.462  -0.168   5.710
   93    HE1  TYR  10           HE1      TYR  10  -2.318  -4.959   4.989
   94    HE2  TYR  10           HE2      TYR  10  -0.340  -1.841   7.121
   95    HH   TYR  10           HH       TYR  10  -0.620  -4.126   7.841
   96    H    TRP  11           HN       TRP  11  -2.404  -2.028   1.380
   97    HA   TRP  11           HA       TRP  11   0.211  -2.915   2.066
   98    HB2  TRP  11           HB2      TRP  11  -0.181  -4.820   0.591
   99    HB3  TRP  11           HB1      TRP  11  -1.536  -4.544   1.664
  100    HD1  TRP  11           HD1      TRP  11  -3.854  -3.811   0.572
  101    HE1  TRP  11           HE1      TRP  11  -4.756  -4.066  -1.825
  102    HE3  TRP  11           HE3      TRP  11   0.550  -4.731  -1.863
  103    HZ2  TRP  11           HZ2      TRP  11  -3.738  -4.574  -4.404
  104    HZ3  TRP  11           HZ3      TRP  11   0.495  -5.094  -4.296
  105    HH2  TRP  11           HH2      TRP  11  -1.606  -5.019  -5.538
  106    H    LEU  12           HN       LEU  12  -1.139  -1.224  -0.665
  107    HA   LEU  12           HA       LEU  12   0.937  -1.570  -2.491
  108    HB2  LEU  12           HB2      LEU  12  -0.975   0.711  -2.062
  109    HB3  LEU  12           HB1      LEU  12   0.145   0.646  -3.406
  110    HG   LEU  12           HG       LEU  12  -1.897  -1.507  -2.872
  111   HD11  LEU  12          HD11      LEU  12  -2.084   0.872  -4.730
  112   HD12  LEU  12          HD12      LEU  12  -3.052   0.608  -3.280
  113   HD13  LEU  12          HD13      LEU  12  -3.222  -0.472  -4.662
  114   HD21  LEU  12          HD21      LEU  12  -0.232  -0.797  -5.290
  115   HD22  LEU  12          HD22      LEU  12  -1.457  -2.064  -5.227
  116   HD23  LEU  12          HD23      LEU  12  -0.004  -2.192  -4.236
  117    H    THR  13           HN       THR  13   0.655   0.655   0.229
  118    HA   THR  13           HA       THR  13   3.132   1.993  -0.515
  119    HB   THR  13           HB       THR  13   2.718   3.322   1.587
  120    HG1  THR  13           HG1      THR  13   0.096   2.258   1.551
  121   HG21  THR  13          HG21      THR  13   0.859   4.597   0.635
  122   HG22  THR  13          HG22      THR  13   0.501   3.259  -0.457
  123   HG23  THR  13          HG23      THR  13   2.023   4.137  -0.607
  124    H    ASN  14           HN       ASN  14   2.302  -0.765   1.163
  125    HA   ASN  14           HA       ASN  14   4.436  -0.468   3.150
  126    HB2  ASN  14           HB2      ASN  14   1.958  -2.060   2.985
  127    HB3  ASN  14           HB1      ASN  14   3.304  -2.777   3.870
  128   HD21  ASN  14          HD21      ASN  14   1.071  -0.097   3.722
  129   HD22  ASN  14          HD22      ASN  14   1.322   0.459   5.341
  130    H    LYS  15           HN       LYS  15   3.475  -2.508   0.433
  131    HA   LYS  15           HA       LYS  15   5.467  -4.482   0.676
  132    HB2  LYS  15           HB2      LYS  15   4.457  -3.316  -1.927
  133    HB3  LYS  15           HB1      LYS  15   5.145  -4.911  -1.679
  134    HG2  LYS  15           HG2      LYS  15   2.568  -3.976  -0.454
  135    HG3  LYS  15           HG1      LYS  15   2.682  -4.872  -1.969
  136    HD2  LYS  15           HD2      LYS  15   3.781  -5.882   0.646
  137    HD3  LYS  15           HD1      LYS  15   2.157  -6.254   0.067
  138    HE2  LYS  15           HE2      LYS  15   3.275  -7.117  -2.044
  139    HE3  LYS  15           HE1      LYS  15   4.795  -7.018  -1.158
  140    HZ1  LYS  15           HZ1      LYS  15   3.878  -8.526   0.498
  141    HZ2  LYS  15           HZ2      LYS  15   3.856  -9.231  -1.039
  142    HZ3  LYS  15           HZ3      LYS  15   2.427  -8.622  -0.367
  143    H    VAL  16           HN       VAL  16   5.540  -1.213  -0.233
  144    HA   VAL  16           HA       VAL  16   7.827  -1.049  -1.831
  145    HB   VAL  16           HB       VAL  16   6.979   1.104   0.081
  146   HG11  VAL  16          HG11      VAL  16   7.593   2.580  -1.784
  147   HG12  VAL  16          HG12      VAL  16   8.061   1.166  -2.729
  148   HG13  VAL  16          HG13      VAL  16   8.937   1.568  -1.253
  149   HG21  VAL  16          HG21      VAL  16   4.913   0.264  -0.823
  150   HG22  VAL  16          HG22      VAL  16   5.575   0.304  -2.461
  151   HG23  VAL  16          HG23      VAL  16   5.296   1.811  -1.589
  152    HA   PRO  17           HA       PRO  17  10.955  -1.694   1.364
  153    HB2  PRO  17           HB2      PRO  17  12.791  -0.852  -0.743
  154    HB3  PRO  17           HB1      PRO  17  12.731  -2.383   0.129
  155    HG2  PRO  17           HG2      PRO  17  12.040  -2.173  -2.480
  156    HG3  PRO  17           HG1      PRO  17  11.288  -3.344  -1.380
  157    HD2  PRO  17           HD2      PRO  17  10.233  -0.737  -2.388
  158    HD3  PRO  17           HD1      PRO  17   9.376  -2.261  -2.079
  159    H    ILE  18           HN       ILE  18  11.440  -0.130   2.777
  160    HA   ILE  18           HA       ILE  18  11.230   2.623   1.923
  161    HB   ILE  18           HB       ILE  18  11.765   1.559   4.704
  162   HG12  ILE  18          HG12      ILE  18   9.150   2.427   3.446
  163   HG13  ILE  18          HG11      ILE  18   9.612   0.760   3.769
  164   HG21  ILE  18          HG21      ILE  18  12.433   3.880   4.434
  165   HG22  ILE  18          HG22      ILE  18  10.985   3.776   5.435
  166   HG23  ILE  18          HG23      ILE  18  10.856   4.275   3.749
  167   HD11  ILE  18          HD11      ILE  18   8.084   1.611   5.456
  168   HD12  ILE  18          HD12      ILE  18   9.217   2.909   5.836
  169   HD13  ILE  18          HD13      ILE  18   9.660   1.231   6.156
  170    H    LYS  19           HN       LYS  19  13.096   2.581   0.585
  171    HA   LYS  19           HA       LYS  19  15.714   2.292   1.648
  172    HB2  LYS  19           HB2      LYS  19  14.940   2.159  -0.804
  173    HB3  LYS  19           HB1      LYS  19  14.938   3.915  -0.777
  174    HG2  LYS  19           HG2      LYS  19  17.350   2.285  -0.084
  175    HG3  LYS  19           HG1      LYS  19  16.987   2.795  -1.729
  176    HD2  LYS  19           HD2      LYS  19  17.032   5.135  -1.012
  177    HD3  LYS  19           HD1      LYS  19  17.392   4.624   0.638
  178    HE2  LYS  19           HE2      LYS  19  19.118   4.099  -1.776
  179    HE3  LYS  19           HE1      LYS  19  19.398   5.360  -0.578
  180    HZ1  LYS  19           HZ1      LYS  19  19.620   3.618   1.109
  181    HZ2  LYS  19           HZ2      LYS  19  20.769   3.455  -0.120
  182    HZ3  LYS  19           HZ3      LYS  19  19.423   2.434  -0.081
  183    H    ARG  20           HN       ARG  20  13.866   5.141   0.601
  184    HA   ARG  20           HA       ARG  20  15.476   6.806   2.401
  185    HB2  ARG  20           HB2      ARG  20  14.491   8.717   1.177
  186    HB3  ARG  20           HB1      ARG  20  15.359   7.621   0.113
  187    HG2  ARG  20           HG2      ARG  20  13.397   6.794  -0.834
  188    HG3  ARG  20           HG1      ARG  20  12.396   7.403   0.485
  189    HD2  ARG  20           HD2      ARG  20  13.855   9.089  -1.544
  190    HD3  ARG  20           HD1      ARG  20  12.130   8.732  -1.552
  191    HE   ARG  20           HE       ARG  20  13.371  10.139   0.715
  192   HH11  ARG  20          HH11      ARG  20  11.007  10.033  -1.868
  193   HH12  ARG  20          HH12      ARG  20  10.164  11.447  -1.322
  194   HH21  ARG  20          HH21      ARG  20  12.269  11.999   1.431
  195   HH22  ARG  20          HH22      ARG  20  10.885  12.570   0.551
  196    HA   PRO  21           HA       PRO  21  12.102   7.098   5.324
  197    HB2  PRO  21           HB2      PRO  21  13.067   9.859   5.787
  198    HB3  PRO  21           HB1      PRO  21  12.882   8.526   6.931
  199    HG2  PRO  21           HG2      PRO  21  15.298   9.318   6.108
  200    HG3  PRO  21           HG1      PRO  21  14.934   7.607   6.396
  201    HD2  PRO  21           HD2      PRO  21  15.131   9.094   3.809
  202    HD3  PRO  21           HD1      PRO  21  15.687   7.457   4.218
  203    H    SER  22           HN       SER  22  10.457   7.146   3.735
  204    HA   SER  22           HA       SER  22   9.735   9.707   2.565
  205    HB2  SER  22           HB2      SER  22   8.416   7.010   2.195
  206    HB3  SER  22           HB1      SER  22   8.222   8.436   1.176
  207    HG   SER  22           HG       SER  22  10.750   7.227   1.595
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1 -15.347   8.342  -0.246
    2    H2   LEU   1           HT2      LEU   1 -14.482   9.538   0.576
    3    H3   LEU   1           HT3      LEU   1 -15.575   8.557   1.415
    4    HA   LEU   1           HA       LEU   1 -13.137   7.579   0.069
    5    HB2  LEU   1           HB2      LEU   1 -13.669   8.446   2.876
    6    HB3  LEU   1           HB1      LEU   1 -12.570   7.115   2.601
    7    HG   LEU   1           HG       LEU   1 -11.194   8.610   1.158
    8   HD11  LEU   1          HD11      LEU   1 -13.073  10.735   2.163
    9   HD12  LEU   1          HD12      LEU   1 -12.866  10.217   0.491
   10   HD13  LEU   1          HD13      LEU   1 -11.549  11.035   1.331
   11   HD21  LEU   1          HD21      LEU   1 -11.654   9.553   3.984
   12   HD22  LEU   1          HD22      LEU   1 -10.220   9.880   3.007
   13   HD23  LEU   1          HD23      LEU   1 -10.605   8.225   3.484
   14    H    ARG   2           HN       ARG   2 -12.721   5.362   0.401
   15    HA   ARG   2           HA       ARG   2 -14.842   3.792   1.668
   16    HB2  ARG   2           HB2      ARG   2 -15.260   3.997  -0.835
   17    HB3  ARG   2           HB1      ARG   2 -13.762   3.103  -1.053
   18    HG2  ARG   2           HG2      ARG   2 -15.716   1.651  -1.237
   19    HG3  ARG   2           HG1      ARG   2 -14.683   1.195   0.117
   20    HD2  ARG   2           HD2      ARG   2 -16.186   2.336   1.660
   21    HD3  ARG   2           HD1      ARG   2 -17.204   2.841   0.314
   22    HE   ARG   2           HE       ARG   2 -17.371   0.269  -0.033
   23   HH11  ARG   2          HH11      ARG   2 -17.296   1.954   3.035
   24   HH12  ARG   2          HH12      ARG   2 -18.259   0.770   3.855
   25   HH21  ARG   2          HH21      ARG   2 -18.660  -1.286   1.040
   26   HH22  ARG   2          HH22      ARG   2 -19.038  -1.076   2.721
   27    H    LEU   3           HN       LEU   3 -14.145   1.922   2.559
   28    HA   LEU   3           HA       LEU   3 -11.517   1.797   3.386
   29    HB2  LEU   3           HB2      LEU   3 -12.160  -0.622   4.023
   30    HB3  LEU   3           HB1      LEU   3 -12.922   0.733   4.841
   31    HG   LEU   3           HG       LEU   3 -14.835   0.432   3.144
   32   HD11  LEU   3          HD11      LEU   3 -13.510  -2.258   2.847
   33   HD12  LEU   3          HD12      LEU   3 -13.632  -1.028   1.588
   34   HD13  LEU   3          HD13      LEU   3 -15.092  -1.796   2.215
   35   HD21  LEU   3          HD21      LEU   3 -15.835  -1.350   4.494
   36   HD22  LEU   3          HD22      LEU   3 -15.046  -0.120   5.480
   37   HD23  LEU   3          HD23      LEU   3 -14.256  -1.673   5.208
   38    H    ILE   4           HN       ILE   4 -12.947   0.369   0.583
   39    HA   ILE   4           HA       ILE   4 -11.015  -1.556   0.046
   40    HB   ILE   4           HB       ILE   4 -12.639   0.129  -1.863
   41   HG12  ILE   4          HG12      ILE   4 -13.938  -1.394  -0.458
   42   HG13  ILE   4          HG11      ILE   4 -13.952  -1.934  -2.131
   43   HG21  ILE   4          HG21      ILE   4 -12.044  -1.482  -3.616
   44   HG22  ILE   4          HG22      ILE   4 -10.918  -2.263  -2.504
   45   HG23  ILE   4          HG23      ILE   4 -10.636  -0.601  -3.022
   46   HD11  ILE   4          HD11      ILE   4 -13.701  -3.827  -0.699
   47   HD12  ILE   4          HD12      ILE   4 -12.333  -3.083   0.124
   48   HD13  ILE   4          HD13      ILE   4 -12.186  -3.573  -1.564
   49    H    HIS   5           HN       HIS   5 -11.097   1.884  -0.823
   50    HA   HIS   5           HA       HIS   5  -8.563   1.894  -2.106
   51    HB2  HIS   5           HB2      HIS   5 -10.260   4.093  -0.931
   52    HB3  HIS   5           HB1      HIS   5  -8.692   4.411  -1.656
   53    HD1  HIS   5           HD1      HIS   5  -8.992   5.299  -3.931
   54    HD2  HIS   5           HD2      HIS   5 -11.847   2.420  -3.014
   55    HE1  HIS   5           HE1      HIS   5 -10.432   5.095  -5.977
   56    HE2  HIS   5           HE2      HIS   5 -12.104   3.296  -5.436
   57    H    ALA   6           HN       ALA   6  -9.644   2.311   1.192
   58    HA   ALA   6           HA       ALA   6  -7.276   3.330   2.298
   59    HB1  ALA   6           HB1      ALA   6  -8.161   2.621   4.442
   60    HB2  ALA   6           HB2      ALA   6  -9.344   1.593   3.634
   61    HB3  ALA   6           HB3      ALA   6  -9.436   3.345   3.462
   62    H    VAL   7           HN       VAL   7  -8.459  -0.038   2.127
   63    HA   VAL   7           HA       VAL   7  -6.106  -1.099   3.305
   64    HB   VAL   7           HB       VAL   7  -8.117  -2.380   3.491
   65   HG11  VAL   7          HG11      VAL   7  -8.109  -2.550   0.486
   66   HG12  VAL   7          HG12      VAL   7  -9.282  -1.701   1.498
   67   HG13  VAL   7          HG13      VAL   7  -9.179  -3.462   1.551
   68   HG21  VAL   7          HG21      VAL   7  -6.060  -3.661   3.450
   69   HG22  VAL   7          HG22      VAL   7  -6.154  -3.792   1.693
   70   HG23  VAL   7          HG23      VAL   7  -7.367  -4.577   2.704
   71    H    ARG   8           HN       ARG   8  -7.122  -0.650  -0.063
   72    HA   ARG   8           HA       ARG   8  -5.032  -2.071  -1.264
   73    HB2  ARG   8           HB2      ARG   8  -6.914   0.035  -2.131
   74    HB3  ARG   8           HB1      ARG   8  -5.443  -0.123  -3.082
   75    HG2  ARG   8           HG2      ARG   8  -7.242  -1.430  -4.044
   76    HG3  ARG   8           HG1      ARG   8  -5.947  -2.478  -3.474
   77    HD2  ARG   8           HD2      ARG   8  -7.203  -3.054  -1.514
   78    HD3  ARG   8           HD1      ARG   8  -8.450  -1.878  -1.915
   79    HE   ARG   8           HE       ARG   8  -8.337  -3.576  -4.068
   80   HH11  ARG   8          HH11      ARG   8  -8.894  -3.953  -0.636
   81   HH12  ARG   8          HH12      ARG   8  -9.981  -5.289  -0.827
   82   HH21  ARG   8          HH21      ARG   8  -9.787  -5.322  -4.326
   83   HH22  ARG   8          HH22      ARG   8 -10.494  -6.063  -2.926
   84    H    GLY   9           HN       GLY   9  -5.259   1.444  -0.734
   85    HA2  GLY   9           HA2      GLY   9  -2.642   2.069  -1.477
   86    HA3  GLY   9           HA1      GLY   9  -3.628   3.022  -0.376
   87    H    TYR  10           HN       TYR  10  -3.934   0.909   1.563
   88    HA   TYR  10           HA       TYR  10  -1.743   1.295   3.221
   89    HB2  TYR  10           HB2      TYR  10  -3.676   0.578   4.305
   90    HB3  TYR  10           HB1      TYR  10  -3.964  -0.718   3.153
   91    HD1  TYR  10           HD1      TYR  10  -3.487  -2.877   3.767
   92    HD2  TYR  10           HD2      TYR  10  -1.490   0.296   5.778
   93    HE1  TYR  10           HE1      TYR  10  -2.447  -4.501   5.284
   94    HE2  TYR  10           HE2      TYR  10  -0.447  -1.325   7.304
   95    HH   TYR  10           HH       TYR  10  -0.796  -3.571   8.131
   96    H    TRP  11           HN       TRP  11  -2.503  -1.732   1.403
   97    HA   TRP  11           HA       TRP  11   0.032  -2.790   2.197
   98    HB2  TRP  11           HB2      TRP  11  -0.522  -4.776   0.972
   99    HB3  TRP  11           HB1      TRP  11  -1.927  -4.242   1.870
  100    HD1  TRP  11           HD1      TRP  11  -4.079  -3.556   0.494
  101    HE1  TRP  11           HE1      TRP  11  -4.765  -3.958  -1.953
  102    HE3  TRP  11           HE3      TRP  11   0.468  -4.861  -1.417
  103    HZ2  TRP  11           HZ2      TRP  11  -3.535  -4.726  -4.378
  104    HZ3  TRP  11           HZ3      TRP  11   0.634  -5.421  -3.805
  105    HH2  TRP  11           HH2      TRP  11  -1.328  -5.352  -5.255
  106    H    LEU  12           HN       LEU  12  -1.137  -1.121  -0.611
  107    HA   LEU  12           HA       LEU  12   0.926  -1.753  -2.398
  108    HB2  LEU  12           HB2      LEU  12  -0.830   0.673  -2.130
  109    HB3  LEU  12           HB1      LEU  12   0.302   0.461  -3.450
  110    HG   LEU  12           HG       LEU  12  -1.910  -1.494  -2.831
  111   HD11  LEU  12          HD11      LEU  12  -1.851   0.750  -4.859
  112   HD12  LEU  12          HD12      LEU  12  -2.862   0.684  -3.416
  113   HD13  LEU  12          HD13      LEU  12  -3.107  -0.479  -4.718
  114   HD21  LEU  12          HD21      LEU  12  -1.466  -2.255  -5.127
  115   HD22  LEU  12          HD22      LEU  12  -0.050  -2.426  -4.089
  116   HD23  LEU  12          HD23      LEU  12  -0.139  -1.098  -5.246
  117    H    THR  13           HN       THR  13   0.789   0.554   0.239
  118    HA   THR  13           HA       THR  13   3.310   1.775  -0.550
  119    HB   THR  13           HB       THR  13   2.981   3.101   1.586
  120    HG1  THR  13           HG1      THR  13   0.304   2.194   1.522
  121   HG21  THR  13          HG21      THR  13   1.197   4.491   0.640
  122   HG22  THR  13          HG22      THR  13   0.791   3.195  -0.485
  123   HG23  THR  13          HG23      THR  13   2.358   3.997  -0.593
  124    H    ASN  14           HN       ASN  14   2.341  -0.902   1.200
  125    HA   ASN  14           HA       ASN  14   4.584  -0.760   3.078
  126    HB2  ASN  14           HB2      ASN  14   2.006  -2.218   3.009
  127    HB3  ASN  14           HB1      ASN  14   3.340  -2.965   3.880
  128   HD21  ASN  14          HD21      ASN  14   1.175  -0.233   3.735
  129   HD22  ASN  14          HD22      ASN  14   1.483   0.340   5.339
  130    H    LYS  15           HN       LYS  15   3.582  -2.387   0.207
  131    HA   LYS  15           HA       LYS  15   5.378  -4.615   0.420
  132    HB2  LYS  15           HB2      LYS  15   4.062  -3.339  -1.982
  133    HB3  LYS  15           HB1      LYS  15   4.972  -4.840  -2.028
  134    HG2  LYS  15           HG2      LYS  15   2.509  -4.380  -0.382
  135    HG3  LYS  15           HG1      LYS  15   2.522  -5.150  -1.973
  136    HD2  LYS  15           HD2      LYS  15   4.123  -6.844  -1.040
  137    HD3  LYS  15           HD1      LYS  15   3.848  -6.140   0.553
  138    HE2  LYS  15           HE2      LYS  15   1.697  -7.292  -1.218
  139    HE3  LYS  15           HE1      LYS  15   2.474  -8.156   0.108
  140    HZ1  LYS  15           HZ1      LYS  15   1.597  -6.595   1.662
  141    HZ2  LYS  15           HZ2      LYS  15   0.319  -7.143   0.699
  142    HZ3  LYS  15           HZ3      LYS  15   0.984  -5.614   0.430
  143    H    VAL  16           HN       VAL  16   5.876  -1.430   0.133
  144    HA   VAL  16           HA       VAL  16   7.836  -1.357  -1.969
  145    HB   VAL  16           HB       VAL  16   7.254   0.834   0.003
  146   HG11  VAL  16          HG11      VAL  16   9.104   1.195  -1.547
  147   HG12  VAL  16          HG12      VAL  16   7.764   2.286  -1.896
  148   HG13  VAL  16          HG13      VAL  16   8.033   0.869  -2.910
  149   HG21  VAL  16          HG21      VAL  16   5.386   1.542  -1.369
  150   HG22  VAL  16          HG22      VAL  16   5.111  -0.109  -0.789
  151   HG23  VAL  16          HG23      VAL  16   5.635   0.176  -2.454
  152    HA   PRO  17           HA       PRO  17  11.290  -2.470   0.681
  153    HB2  PRO  17           HB2      PRO  17  12.770  -1.111  -1.497
  154    HB3  PRO  17           HB1      PRO  17  13.009  -2.719  -0.810
  155    HG2  PRO  17           HG2      PRO  17  11.896  -2.409  -3.211
  156    HG3  PRO  17           HG1      PRO  17  11.327  -3.662  -2.092
  157    HD2  PRO  17           HD2      PRO  17  10.094  -1.030  -2.781
  158    HD3  PRO  17           HD1      PRO  17   9.316  -2.591  -2.447
  159    H    ILE  18           HN       ILE  18  12.418  -1.353   2.197
  160    HA   ILE  18           HA       ILE  18  12.179   1.553   2.117
  161    HB   ILE  18           HB       ILE  18  12.656  -0.130   4.583
  162   HG12  ILE  18          HG12      ILE  18  10.045   1.033   3.574
  163   HG13  ILE  18          HG11      ILE  18  10.464  -0.677   3.547
  164   HG21  ILE  18          HG21      ILE  18  13.354   2.240   4.664
  165   HG22  ILE  18          HG22      ILE  18  12.035   1.883   5.780
  166   HG23  ILE  18          HG23      ILE  18  11.705   2.717   4.262
  167   HD11  ILE  18          HD11      ILE  18  10.148   1.027   6.006
  168   HD12  ILE  18          HD12      ILE  18  10.570  -0.688   5.984
  169   HD13  ILE  18          HD13      ILE  18   8.991  -0.159   5.399
  170    H    LYS  19           HN       LYS  19  13.907   2.458   1.531
  171    HA   LYS  19           HA       LYS  19  16.383   1.337   1.105
  172    HB2  LYS  19           HB2      LYS  19  15.452   3.338  -0.010
  173    HB3  LYS  19           HB1      LYS  19  15.703   4.255   1.467
  174    HG2  LYS  19           HG2      LYS  19  17.495   4.777   0.030
  175    HG3  LYS  19           HG1      LYS  19  18.120   3.707   1.282
  176    HD2  LYS  19           HD2      LYS  19  19.038   2.980  -0.797
  177    HD3  LYS  19           HD1      LYS  19  17.823   1.798  -0.309
  178    HE2  LYS  19           HE2      LYS  19  16.202   2.874  -1.811
  179    HE3  LYS  19           HE1      LYS  19  17.440   4.020  -2.316
  180    HZ1  LYS  19           HZ1      LYS  19  17.266   2.271  -3.919
  181    HZ2  LYS  19           HZ2      LYS  19  17.474   1.082  -2.734
  182    HZ3  LYS  19           HZ3      LYS  19  18.750   2.122  -3.123
  183    H    ARG  20           HN       ARG  20  15.120   2.385   4.094
  184    HA   ARG  20           HA       ARG  20  17.340   3.423   5.399
  185    HB2  ARG  20           HB2      ARG  20  16.281   2.843   7.473
  186    HB3  ARG  20           HB1      ARG  20  15.038   3.356   6.344
  187    HG2  ARG  20           HG2      ARG  20  14.272   1.150   6.029
  188    HG3  ARG  20           HG1      ARG  20  15.699   0.463   6.804
  189    HD2  ARG  20           HD2      ARG  20  13.589   2.137   8.165
  190    HD3  ARG  20           HD1      ARG  20  13.740   0.383   8.272
  191    HE   ARG  20           HE       ARG  20  16.020   2.009   9.105
  192   HH11  ARG  20          HH11      ARG  20  13.295   0.013  10.022
  193   HH12  ARG  20          HH12      ARG  20  13.899  -0.295  11.620
  194   HH21  ARG  20          HH21      ARG  20  16.820   1.609  11.194
  195   HH22  ARG  20          HH22      ARG  20  15.905   0.620  12.288
  196    HA   PRO  21           HA       PRO  21  20.221   0.022   5.531
  197    HB2  PRO  21           HB2      PRO  21  21.191   1.337   7.997
  198    HB3  PRO  21           HB1      PRO  21  22.071   0.928   6.523
  199    HG2  PRO  21           HG2      PRO  21  21.431   3.459   7.103
  200    HG3  PRO  21           HG1      PRO  21  21.410   2.856   5.435
  201    HD2  PRO  21           HD2      PRO  21  19.129   3.365   7.297
  202    HD3  PRO  21           HD1      PRO  21  19.247   3.642   5.548
  203    H    SER  22           HN       SER  22  18.996  -1.724   6.115
  204    HA   SER  22           HA       SER  22  18.190  -1.996   8.914
  205    HB2  SER  22           HB2      SER  22  17.458  -3.796   6.597
  206    HB3  SER  22           HB1      SER  22  16.662  -3.682   8.168
  207    HG   SER  22           HG       SER  22  16.806  -1.312   6.751
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1 -11.640   9.587  -0.557
    2    H2   LEU   1           HT2      LEU   1 -11.391   8.397  -1.728
    3    H3   LEU   1           HT3      LEU   1 -10.150   9.479  -1.347
    4    HA   LEU   1           HA       LEU   1  -9.738   7.333  -0.356
    5    HB2  LEU   1           HB2      LEU   1 -10.541   9.417   1.673
    6    HB3  LEU   1           HB1      LEU   1  -9.460   8.069   1.964
    7    HG   LEU   1           HG       LEU   1  -8.936  10.395   0.113
    8   HD11  LEU   1          HD11      LEU   1  -7.744   9.625   2.766
    9   HD12  LEU   1          HD12      LEU   1  -8.810  10.994   2.454
   10   HD13  LEU   1          HD13      LEU   1  -7.198  10.952   1.743
   11   HD21  LEU   1          HD21      LEU   1  -7.919   8.363  -0.755
   12   HD22  LEU   1          HD22      LEU   1  -7.200   8.030   0.820
   13   HD23  LEU   1          HD23      LEU   1  -6.684   9.440  -0.104
   14    H    ARG   2           HN       ARG   2 -10.700   5.478   0.165
   15    HA   ARG   2           HA       ARG   2 -13.125   5.479   1.770
   16    HB2  ARG   2           HB2      ARG   2 -13.699   5.676  -0.746
   17    HB3  ARG   2           HB1      ARG   2 -13.146   4.011  -0.852
   18    HG2  ARG   2           HG2      ARG   2 -14.917   3.194   0.348
   19    HG3  ARG   2           HG1      ARG   2 -15.199   4.722   1.181
   20    HD2  ARG   2           HD2      ARG   2 -16.954   4.191  -0.472
   21    HD3  ARG   2           HD1      ARG   2 -16.116   5.699  -0.818
   22    HE   ARG   2           HE       ARG   2 -15.015   3.437  -2.206
   23   HH11  ARG   2          HH11      ARG   2 -17.486   5.915  -2.272
   24   HH12  ARG   2          HH12      ARG   2 -17.656   5.882  -3.997
   25   HH21  ARG   2          HH21      ARG   2 -15.241   3.387  -4.490
   26   HH22  ARG   2          HH22      ARG   2 -16.390   4.440  -5.255
   27    H    LEU   3           HN       LEU   3 -13.810   3.055   2.076
   28    HA   LEU   3           HA       LEU   3 -11.824   1.874   3.547
   29    HB2  LEU   3           HB2      LEU   3 -14.475   1.414   3.108
   30    HB3  LEU   3           HB1      LEU   3 -13.694  -0.011   2.467
   31    HG   LEU   3           HG       LEU   3 -13.365   1.003   5.282
   32   HD11  LEU   3          HD11      LEU   3 -15.604   0.157   4.901
   33   HD12  LEU   3          HD12      LEU   3 -14.686  -0.969   5.902
   34   HD13  LEU   3          HD13      LEU   3 -14.948  -1.318   4.192
   35   HD21  LEU   3          HD21      LEU   3 -12.254  -1.139   5.683
   36   HD22  LEU   3          HD22      LEU   3 -11.394  -0.186   4.473
   37   HD23  LEU   3          HD23      LEU   3 -12.405  -1.539   3.972
   38    H    ILE   4           HN       ILE   4 -13.009   0.662   0.441
   39    HA   ILE   4           HA       ILE   4 -11.182  -1.421   0.180
   40    HB   ILE   4           HB       ILE   4 -12.564   0.167  -1.973
   41   HG12  ILE   4          HG12      ILE   4 -14.097  -0.953  -0.455
   42   HG13  ILE   4          HG11      ILE   4 -14.095  -1.764  -2.011
   43   HG21  ILE   4          HG21      ILE   4 -11.165  -2.490  -2.194
   44   HG22  ILE   4          HG22      ILE   4 -10.615  -0.965  -2.890
   45   HG23  ILE   4          HG23      ILE   4 -12.110  -1.707  -3.460
   46   HD11  ILE   4          HD11      ILE   4 -12.689  -2.688   0.476
   47   HD12  ILE   4          HD12      ILE   4 -12.611  -3.485  -1.094
   48   HD13  ILE   4          HD13      ILE   4 -14.146  -3.382  -0.233
   49    H    HIS   5           HN       HIS   5 -10.886   1.964  -0.652
   50    HA   HIS   5           HA       HIS   5  -8.381   1.616  -2.014
   51    HB2  HIS   5           HB2      HIS   5  -9.962   4.027  -1.159
   52    HB3  HIS   5           HB1      HIS   5  -8.330   4.183  -1.799
   53    HD1  HIS   5           HD1      HIS   5  -8.325   4.688  -4.196
   54    HD2  HIS   5           HD2      HIS   5 -11.601   2.368  -3.135
   55    HE1  HIS   5           HE1      HIS   5  -9.624   4.354  -6.309
   56    HE2  HIS   5           HE2      HIS   5 -11.705   3.126  -5.605
   57    H    ALA   6           HN       ALA   6  -9.432   2.084   1.230
   58    HA   ALA   6           HA       ALA   6  -6.981   3.188   2.223
   59    HB1  ALA   6           HB1      ALA   6  -9.208   1.823   3.728
   60    HB2  ALA   6           HB2      ALA   6  -9.126   3.545   3.358
   61    HB3  ALA   6           HB3      ALA   6  -7.929   2.815   4.428
   62    H    VAL   7           HN       VAL   7  -8.416  -0.036   2.067
   63    HA   VAL   7           HA       VAL   7  -6.202  -1.280   3.377
   64    HB   VAL   7           HB       VAL   7  -8.260  -2.429   3.580
   65   HG11  VAL   7          HG11      VAL   7  -8.410  -2.466   0.573
   66   HG12  VAL   7          HG12      VAL   7  -9.421  -1.513   1.662
   67   HG13  VAL   7          HG13      VAL   7  -9.536  -3.273   1.664
   68   HG21  VAL   7          HG21      VAL   7  -6.306  -3.878   3.316
   69   HG22  VAL   7          HG22      VAL   7  -6.587  -3.943   1.576
   70   HG23  VAL   7          HG23      VAL   7  -7.765  -4.642   2.688
   71    H    ARG   8           HN       ARG   8  -7.168  -0.841  -0.020
   72    HA   ARG   8           HA       ARG   8  -5.041  -2.302  -1.124
   73    HB2  ARG   8           HB2      ARG   8  -7.047  -0.419  -2.101
   74    HB3  ARG   8           HB1      ARG   8  -5.523  -0.323  -2.974
   75    HG2  ARG   8           HG2      ARG   8  -6.903  -1.878  -4.117
   76    HG3  ARG   8           HG1      ARG   8  -5.638  -2.787  -3.292
   77    HD2  ARG   8           HD2      ARG   8  -7.310  -3.128  -1.413
   78    HD3  ARG   8           HD1      ARG   8  -8.532  -2.523  -2.531
   79    HE   ARG   8           HE       ARG   8  -6.911  -4.950  -2.969
   80   HH11  ARG   8          HH11      ARG   8  -9.846  -3.113  -3.475
   81   HH12  ARG   8          HH12      ARG   8 -10.661  -4.404  -4.292
   82   HH21  ARG   8          HH21      ARG   8  -7.980  -6.644  -4.044
   83   HH22  ARG   8          HH22      ARG   8  -9.600  -6.407  -4.622
   84    H    GLY   9           HN       GLY   9  -5.349   1.203  -0.592
   85    HA2  GLY   9           HA2      GLY   9  -2.767   1.914  -1.381
   86    HA3  GLY   9           HA1      GLY   9  -3.754   2.819  -0.243
   87    H    TYR  10           HN       TYR  10  -3.942   0.554   1.584
   88    HA   TYR  10           HA       TYR  10  -1.793   1.024   3.282
   89    HB2  TYR  10           HB2      TYR  10  -3.694   0.170   4.307
   90    HB3  TYR  10           HB1      TYR  10  -3.908  -1.086   3.098
   91    HD1  TYR  10           HD1      TYR  10  -3.652  -3.206   3.879
   92    HD2  TYR  10           HD2      TYR  10  -1.254  -0.131   5.580
   93    HE1  TYR  10           HE1      TYR  10  -2.623  -4.852   5.389
   94    HE2  TYR  10           HE2      TYR  10  -0.221  -1.767   7.096
   95    HH   TYR  10           HH       TYR  10  -0.789  -3.977   8.086
   96    H    TRP  11           HN       TRP  11  -2.366  -1.969   1.351
   97    HA   TRP  11           HA       TRP  11   0.246  -2.897   2.047
   98    HB2  TRP  11           HB2      TRP  11  -0.201  -4.824   0.631
   99    HB3  TRP  11           HB1      TRP  11  -1.562  -4.487   1.681
  100    HD1  TRP  11           HD1      TRP  11  -3.858  -3.807   0.554
  101    HE1  TRP  11           HE1      TRP  11  -4.724  -4.033  -1.855
  102    HE3  TRP  11           HE3      TRP  11   0.578  -4.664  -1.834
  103    HZ2  TRP  11           HZ2      TRP  11  -3.677  -4.505  -4.425
  104    HZ3  TRP  11           HZ3      TRP  11   0.555  -4.996  -4.270
  105    HH2  TRP  11           HH2      TRP  11  -1.528  -4.920  -5.538
  106    H    LEU  12           HN       LEU  12  -1.068  -1.098  -0.602
  107    HA   LEU  12           HA       LEU  12   1.019  -1.498  -2.450
  108    HB2  LEU  12           HB2      LEU  12  -0.946   0.746  -2.071
  109    HB3  LEU  12           HB1      LEU  12   0.194   0.694  -3.401
  110    HG   LEU  12           HG       LEU  12  -1.800  -1.504  -2.875
  111   HD11  LEU  12          HD11      LEU  12  -3.161  -0.519  -4.645
  112   HD12  LEU  12          HD12      LEU  12  -2.042   0.837  -4.771
  113   HD13  LEU  12          HD13      LEU  12  -2.986   0.607  -3.300
  114   HD21  LEU  12          HD21      LEU  12  -1.321  -2.082  -5.201
  115   HD22  LEU  12          HD22      LEU  12   0.146  -2.109  -4.225
  116   HD23  LEU  12          HD23      LEU  12  -0.172  -0.749  -5.303
  117    H    THR  13           HN       THR  13   0.682   0.687   0.280
  118    HA   THR  13           HA       THR  13   3.128   2.097  -0.428
  119    HB   THR  13           HB       THR  13   2.726   3.294   1.770
  120    HG1  THR  13           HG1      THR  13   0.150   2.091   1.624
  121   HG21  THR  13          HG21      THR  13   0.877   4.636   0.888
  122   HG22  THR  13          HG22      THR  13   0.520   3.370  -0.287
  123   HG23  THR  13          HG23      THR  13   2.048   4.249  -0.373
  124    H    ASN  14           HN       ASN  14   2.321  -0.727   1.123
  125    HA   ASN  14           HA       ASN  14   4.472  -0.625   3.086
  126    HB2  ASN  14           HB2      ASN  14   2.208  -2.464   2.514
  127    HB3  ASN  14           HB1      ASN  14   3.569  -3.069   3.445
  128   HD21  ASN  14          HD21      ASN  14   2.441   0.248   3.569
  129   HD22  ASN  14          HD22      ASN  14   1.841   0.181   5.190
  130    H    LYS  15           HN       LYS  15   3.778  -1.972  -0.039
  131    HA   LYS  15           HA       LYS  15   5.934  -3.839  -0.132
  132    HB2  LYS  15           HB2      LYS  15   4.546  -2.394  -2.398
  133    HB3  LYS  15           HB1      LYS  15   5.593  -3.791  -2.563
  134    HG2  LYS  15           HG2      LYS  15   2.932  -3.701  -1.172
  135    HG3  LYS  15           HG1      LYS  15   3.279  -4.447  -2.734
  136    HD2  LYS  15           HD2      LYS  15   4.882  -5.967  -1.571
  137    HD3  LYS  15           HD1      LYS  15   4.335  -5.291  -0.036
  138    HE2  LYS  15           HE2      LYS  15   3.144  -7.325  -0.398
  139    HE3  LYS  15           HE1      LYS  15   2.016  -5.993  -0.647
  140    HZ1  LYS  15           HZ1      LYS  15   1.735  -7.623  -2.367
  141    HZ2  LYS  15           HZ2      LYS  15   3.377  -7.577  -2.758
  142    HZ3  LYS  15           HZ3      LYS  15   2.402  -6.229  -3.056
  143    H    VAL  16           HN       VAL  16   5.839  -0.576   0.046
  144    HA   VAL  16           HA       VAL  16   8.142  -0.008  -1.631
  145    HB   VAL  16           HB       VAL  16   6.834   2.013   0.130
  146   HG11  VAL  16          HG11      VAL  16   7.937   2.126  -2.667
  147   HG12  VAL  16          HG12      VAL  16   8.751   2.672  -1.201
  148   HG13  VAL  16          HG13      VAL  16   7.292   3.492  -1.757
  149   HG21  VAL  16          HG21      VAL  16   4.955   0.779  -0.805
  150   HG22  VAL  16          HG22      VAL  16   5.630   0.974  -2.428
  151   HG23  VAL  16          HG23      VAL  16   5.076   2.389  -1.533
  152    HA   PRO  17           HA       PRO  17  10.813  -0.541   1.948
  153    HB2  PRO  17           HB2      PRO  17  12.787   0.830   0.269
  154    HB3  PRO  17           HB1      PRO  17  12.860  -0.775   0.997
  155    HG2  PRO  17           HG2      PRO  17  12.534  -0.430  -1.652
  156    HG3  PRO  17           HG1      PRO  17  11.789  -1.779  -0.776
  157    HD2  PRO  17           HD2      PRO  17  10.557   0.759  -1.759
  158    HD3  PRO  17           HD1      PRO  17   9.882  -0.883  -1.710
  159    H    ILE  18           HN       ILE  18  11.014   0.792   3.630
  160    HA   ILE  18           HA       ILE  18  10.532   3.614   3.226
  161    HB   ILE  18           HB       ILE  18  11.005   2.155   5.833
  162   HG12  ILE  18          HG12      ILE  18   8.407   2.869   4.451
  163   HG13  ILE  18          HG11      ILE  18   9.064   1.245   4.617
  164   HG21  ILE  18          HG21      ILE  18  11.353   4.573   5.964
  165   HG22  ILE  18          HG22      ILE  18   9.898   4.097   6.840
  166   HG23  ILE  18          HG23      ILE  18   9.763   4.847   5.250
  167   HD11  ILE  18          HD11      ILE  18   8.169   3.032   6.864
  168   HD12  ILE  18          HD12      ILE  18   8.841   1.412   7.043
  169   HD13  ILE  18          HD13      ILE  18   7.299   1.640   6.221
  170    H    LYS  19           HN       LYS  19  12.474   3.987   2.071
  171    HA   LYS  19           HA       LYS  19  15.010   3.727   3.405
  172    HB2  LYS  19           HB2      LYS  19  15.892   4.918   1.397
  173    HB3  LYS  19           HB1      LYS  19  14.980   3.466   1.019
  174    HG2  LYS  19           HG2      LYS  19  13.030   4.855   0.464
  175    HG3  LYS  19           HG1      LYS  19  13.989   6.299   0.796
  176    HD2  LYS  19           HD2      LYS  19  15.536   5.704  -0.983
  177    HD3  LYS  19           HD1      LYS  19  14.640   4.214  -1.285
  178    HE2  LYS  19           HE2      LYS  19  14.001   5.834  -2.932
  179    HE3  LYS  19           HE1      LYS  19  12.648   5.593  -1.831
  180    HZ1  LYS  19           HZ1      LYS  19  12.937   7.919  -2.285
  181    HZ2  LYS  19           HZ2      LYS  19  14.553   7.871  -1.797
  182    HZ3  LYS  19           HZ3      LYS  19  13.320   7.625  -0.663
  183    H    ARG  20           HN       ARG  20  12.523   6.076   3.205
  184    HA   ARG  20           HA       ARG  20  14.043   8.371   3.861
  185    HB2  ARG  20           HB2      ARG  20  11.914   9.387   4.497
  186    HB3  ARG  20           HB1      ARG  20  11.759   8.523   2.975
  187    HG2  ARG  20           HG2      ARG  20  10.746   6.629   4.195
  188    HG3  ARG  20           HG1      ARG  20  10.835   7.586   5.676
  189    HD2  ARG  20           HD2      ARG  20   9.357   8.426   3.189
  190    HD3  ARG  20           HD1      ARG  20   8.604   7.636   4.572
  191    HE   ARG  20           HE       ARG  20   9.632   9.680   5.818
  192   HH11  ARG  20          HH11      ARG  20   8.138   9.671   2.648
  193   HH12  ARG  20          HH12      ARG  20   7.602  11.315   2.757
  194   HH21  ARG  20          HH21      ARG  20   8.949  11.834   5.968
  195   HH22  ARG  20          HH22      ARG  20   8.060  12.553   4.657
  196    HA   PRO  21           HA       PRO  21  15.070   7.235   8.034
  197    HB2  PRO  21           HB2      PRO  21  15.687  10.040   8.532
  198    HB3  PRO  21           HB1      PRO  21  16.776   8.653   8.503
  199    HG2  PRO  21           HG2      PRO  21  16.778  10.567   6.583
  200    HG3  PRO  21           HG1      PRO  21  17.222   8.881   6.270
  201    HD2  PRO  21           HD2      PRO  21  14.679  10.319   5.645
  202    HD3  PRO  21           HD1      PRO  21  15.546   9.081   4.716
  203    H    SER  22           HN       SER  22  12.677   9.326   7.141
  204    HA   SER  22           HA       SER  22  11.159   8.915   9.501
  205    HB2  SER  22           HB2      SER  22  12.734  10.761  10.224
  206    HB3  SER  22           HB1      SER  22  11.990  11.783   8.997
  207    HG   SER  22           HG       SER  22  10.107  11.772  10.099
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1 -12.714   9.435   0.403
    2    H2   LEU   1           HT2      LEU   1 -13.658   8.524  -0.661
    3    H3   LEU   1           HT3      LEU   1 -12.182   7.916  -0.110
    4    HA   LEU   1           HA       LEU   1 -13.006   7.784   2.127
    5    HB2  LEU   1           HB2      LEU   1 -15.559   8.805   0.887
    6    HB3  LEU   1           HB1      LEU   1 -15.445   8.136   2.504
    7    HG   LEU   1           HG       LEU   1 -14.053  10.635   1.534
    8   HD11  LEU   1          HD11      LEU   1 -16.387  10.260   3.403
    9   HD12  LEU   1          HD12      LEU   1 -16.465  10.909   1.765
   10   HD13  LEU   1          HD13      LEU   1 -15.601  11.792   3.023
   11   HD21  LEU   1          HD21      LEU   1 -12.735   9.493   3.226
   12   HD22  LEU   1          HD22      LEU   1 -14.152   9.362   4.269
   13   HD23  LEU   1          HD23      LEU   1 -13.470  10.946   3.900
   14    H    ARG   2           HN       ARG   2 -12.269   5.787   1.065
   15    HA   ARG   2           HA       ARG   2 -14.482   3.901   0.799
   16    HB2  ARG   2           HB2      ARG   2 -13.924   4.672  -1.504
   17    HB3  ARG   2           HB1      ARG   2 -12.274   4.123  -1.243
   18    HG2  ARG   2           HG2      ARG   2 -12.846   2.132  -1.999
   19    HG3  ARG   2           HG1      ARG   2 -13.933   1.947  -0.624
   20    HD2  ARG   2           HD2      ARG   2 -14.675   3.318  -3.195
   21    HD3  ARG   2           HD1      ARG   2 -15.006   1.622  -2.858
   22    HE   ARG   2           HE       ARG   2 -16.125   2.922  -0.758
   23   HH11  ARG   2          HH11      ARG   2 -16.417   3.268  -4.232
   24   HH12  ARG   2          HH12      ARG   2 -18.066   3.803  -4.164
   25   HH21  ARG   2          HH21      ARG   2 -18.281   3.628  -0.666
   26   HH22  ARG   2          HH22      ARG   2 -19.128   4.007  -2.134
   27    H    LEU   3           HN       LEU   3 -14.008   2.286   2.159
   28    HA   LEU   3           HA       LEU   3 -11.463   1.995   3.305
   29    HB2  LEU   3           HB2      LEU   3 -12.365  -0.267   4.067
   30    HB3  LEU   3           HB1      LEU   3 -13.135   1.186   4.677
   31    HG   LEU   3           HG       LEU   3 -14.828   0.775   2.728
   32   HD11  LEU   3          HD11      LEU   3 -13.694  -1.989   3.099
   33   HD12  LEU   3          HD12      LEU   3 -13.556  -1.007   1.642
   34   HD13  LEU   3          HD13      LEU   3 -15.138  -1.571   2.179
   35   HD21  LEU   3          HD21      LEU   3 -14.694  -0.915   5.207
   36   HD22  LEU   3          HD22      LEU   3 -16.134  -0.708   4.210
   37   HD23  LEU   3          HD23      LEU   3 -15.433   0.678   5.047
   38    H    ILE   4           HN       ILE   4 -12.925   0.495   0.533
   39    HA   ILE   4           HA       ILE   4 -11.078  -1.574   0.218
   40    HB   ILE   4           HB       ILE   4 -12.608  -0.023  -1.878
   41   HG12  ILE   4          HG12      ILE   4 -13.985  -1.333  -0.327
   42   HG13  ILE   4          HG11      ILE   4 -14.033  -2.012  -1.946
   43   HG21  ILE   4          HG21      ILE   4 -11.012  -2.556  -2.239
   44   HG22  ILE   4          HG22      ILE   4 -10.624  -0.973  -2.911
   45   HG23  ILE   4          HG23      ILE   4 -12.071  -1.827  -3.445
   46   HD11  ILE   4          HD11      ILE   4 -13.894  -3.772  -0.309
   47   HD12  ILE   4          HD12      ILE   4 -12.435  -3.057   0.375
   48   HD13  ILE   4          HD13      ILE   4 -12.408  -3.719  -1.259
   49    H    HIS   5           HN       HIS   5 -11.025   1.782  -0.921
   50    HA   HIS   5           HA       HIS   5  -8.474   1.583  -2.163
   51    HB2  HIS   5           HB2      HIS   5 -10.210   3.883  -1.329
   52    HB3  HIS   5           HB1      HIS   5  -8.557   4.168  -1.851
   53    HD1  HIS   5           HD1      HIS   5  -8.464   4.813  -4.212
   54    HD2  HIS   5           HD2      HIS   5 -11.568   2.153  -3.481
   55    HE1  HIS   5           HE1      HIS   5  -9.604   4.477  -6.421
   56    HE2  HIS   5           HE2      HIS   5 -11.570   2.988  -5.925
   57    H    ALA   6           HN       ALA   6  -9.582   2.275   1.077
   58    HA   ALA   6           HA       ALA   6  -7.182   3.354   2.095
   59    HB1  ALA   6           HB1      ALA   6  -8.097   2.861   4.294
   60    HB2  ALA   6           HB2      ALA   6  -9.317   1.815   3.569
   61    HB3  ALA   6           HB3      ALA   6  -9.339   3.549   3.247
   62    H    VAL   7           HN       VAL   7  -8.469   0.019   2.166
   63    HA   VAL   7           HA       VAL   7  -6.138  -1.030   3.407
   64    HB   VAL   7           HB       VAL   7  -8.204  -2.240   3.658
   65   HG11  VAL   7          HG11      VAL   7  -9.306  -1.677   1.591
   66   HG12  VAL   7          HG12      VAL   7  -9.249  -3.433   1.775
   67   HG13  VAL   7          HG13      VAL   7  -8.132  -2.625   0.674
   68   HG21  VAL   7          HG21      VAL   7  -6.237  -3.812   2.001
   69   HG22  VAL   7          HG22      VAL   7  -7.483  -4.503   3.039
   70   HG23  VAL   7          HG23      VAL   7  -6.171  -3.561   3.745
   71    H    ARG   8           HN       ARG   8  -7.158  -0.690   0.034
   72    HA   ARG   8           HA       ARG   8  -5.058  -2.106  -1.150
   73    HB2  ARG   8           HB2      ARG   8  -6.972  -0.048  -2.004
   74    HB3  ARG   8           HB1      ARG   8  -5.470  -0.076  -2.917
   75    HG2  ARG   8           HG2      ARG   8  -7.147  -1.435  -4.002
   76    HG3  ARG   8           HG1      ARG   8  -5.824  -2.438  -3.415
   77    HD2  ARG   8           HD2      ARG   8  -7.120  -3.198  -1.566
   78    HD3  ARG   8           HD1      ARG   8  -8.394  -2.031  -1.907
   79    HE   ARG   8           HE       ARG   8  -8.201  -3.545  -4.177
   80   HH11  ARG   8          HH11      ARG   8  -8.755  -4.259  -0.801
   81   HH12  ARG   8          HH12      ARG   8  -9.794  -5.607  -1.123
   82   HH21  ARG   8          HH21      ARG   8  -9.588  -5.306  -4.609
   83   HH22  ARG   8          HH22      ARG   8 -10.278  -6.194  -3.288
   84    H    GLY   9           HN       GLY   9  -5.303   1.397  -0.574
   85    HA2  GLY   9           HA2      GLY   9  -2.703   2.086  -1.282
   86    HA3  GLY   9           HA1      GLY   9  -3.691   2.973  -0.134
   87    H    TYR  10           HN       TYR  10  -3.912   0.655   1.644
   88    HA   TYR  10           HA       TYR  10  -1.718   1.057   3.319
   89    HB2  TYR  10           HB2      TYR  10  -3.670   0.227   4.331
   90    HB3  TYR  10           HB1      TYR  10  -3.831  -1.078   3.163
   91    HD1  TYR  10           HD1      TYR  10  -1.343   0.103   5.704
   92    HD2  TYR  10           HD2      TYR  10  -3.358  -3.195   3.915
   93    HE1  TYR  10           HE1      TYR  10  -0.204  -1.426   7.254
   94    HE2  TYR  10           HE2      TYR  10  -2.217  -4.732   5.462
   95    HH   TYR  10           HH       TYR  10  -0.519  -3.653   8.208
   96    H    TRP  11           HN       TRP  11  -2.419  -1.874   1.337
   97    HA   TRP  11           HA       TRP  11   0.172  -2.892   1.999
   98    HB2  TRP  11           HB2      TRP  11  -0.354  -4.797   0.575
   99    HB3  TRP  11           HB1      TRP  11  -1.658  -4.441   1.686
  100    HD1  TRP  11           HD1      TRP  11  -3.982  -3.700   0.669
  101    HE1  TRP  11           HE1      TRP  11  -4.970  -3.911  -1.693
  102    HE3  TRP  11           HE3      TRP  11   0.313  -4.664  -1.922
  103    HZ2  TRP  11           HZ2      TRP  11  -4.055  -4.420  -4.309
  104    HZ3  TRP  11           HZ3      TRP  11   0.169  -5.010  -4.354
  105    HH2  TRP  11           HH2      TRP  11  -1.972  -4.889  -5.522
  106    H    LEU  12           HN       LEU  12  -1.101  -1.004  -0.589
  107    HA   LEU  12           HA       LEU  12   0.924  -1.485  -2.496
  108    HB2  LEU  12           HB2      LEU  12  -0.817   0.933  -2.038
  109    HB3  LEU  12           HB1      LEU  12   0.206   0.705  -3.440
  110    HG   LEU  12           HG       LEU  12  -2.017  -1.189  -2.695
  111   HD11  LEU  12          HD11      LEU  12  -2.044   1.098  -4.671
  112   HD12  LEU  12          HD12      LEU  12  -2.888   1.071  -3.124
  113   HD13  LEU  12          HD13      LEU  12  -3.346  -0.061  -4.397
  114   HD21  LEU  12          HD21      LEU  12  -0.457  -0.766  -5.249
  115   HD22  LEU  12          HD22      LEU  12  -1.785  -1.905  -5.029
  116   HD23  LEU  12          HD23      LEU  12  -0.280  -2.124  -4.137
  117    H    THR  13           HN       THR  13   0.738   0.640   0.281
  118    HA   THR  13           HA       THR  13   3.248   1.911  -0.464
  119    HB   THR  13           HB       THR  13   2.892   3.258   1.614
  120    HG1  THR  13           HG1      THR  13   0.266   2.198   1.698
  121   HG21  THR  13          HG21      THR  13   0.981   4.531   0.716
  122   HG22  THR  13          HG22      THR  13   0.600   3.184  -0.360
  123   HG23  THR  13          HG23      THR  13   2.114   4.070  -0.555
  124    H    ASN  14           HN       ASN  14   2.284  -0.842   1.107
  125    HA   ASN  14           HA       ASN  14   4.483  -0.829   3.047
  126    HB2  ASN  14           HB2      ASN  14   1.972  -2.416   2.755
  127    HB3  ASN  14           HB1      ASN  14   3.302  -3.051   3.724
  128   HD21  ASN  14          HD21      ASN  14   2.399   0.340   3.426
  129   HD22  ASN  14          HD22      ASN  14   1.933   0.545   5.076
  130    H    LYS  15           HN       LYS  15   3.013  -3.104   0.725
  131    HA   LYS  15           HA       LYS  15   5.107  -5.004   0.940
  132    HB2  LYS  15           HB2      LYS  15   3.164  -4.673  -1.353
  133    HB3  LYS  15           HB1      LYS  15   4.051  -6.127  -0.930
  134    HG2  LYS  15           HG2      LYS  15   1.912  -4.829   0.738
  135    HG3  LYS  15           HG1      LYS  15   1.703  -6.254  -0.280
  136    HD2  LYS  15           HD2      LYS  15   3.430  -7.413   1.077
  137    HD3  LYS  15           HD1      LYS  15   3.485  -6.007   2.142
  138    HE2  LYS  15           HE2      LYS  15   2.062  -7.709   3.104
  139    HE3  LYS  15           HE1      LYS  15   1.096  -6.313   2.634
  140    HZ1  LYS  15           HZ1      LYS  15   1.353  -8.843   1.102
  141    HZ2  LYS  15           HZ2      LYS  15   0.454  -7.499   0.615
  142    HZ3  LYS  15           HZ3      LYS  15   0.005  -8.356   2.000
  143    H    VAL  16           HN       VAL  16   4.728  -2.124  -0.805
  144    HA   VAL  16           HA       VAL  16   6.692  -2.852  -2.844
  145    HB   VAL  16           HB       VAL  16   5.124  -0.295  -2.735
  146   HG11  VAL  16          HG11      VAL  16   6.915  -0.385  -4.358
  147   HG12  VAL  16          HG12      VAL  16   5.354  -0.416  -5.181
  148   HG13  VAL  16          HG13      VAL  16   6.287  -1.901  -5.004
  149   HG21  VAL  16          HG21      VAL  16   3.507  -2.091  -2.447
  150   HG22  VAL  16          HG22      VAL  16   4.169  -2.929  -3.858
  151   HG23  VAL  16          HG23      VAL  16   3.361  -1.374  -4.059
  152    HA   PRO  17           HA       PRO  17   9.699  -0.515  -0.449
  153    HB2  PRO  17           HB2      PRO  17  11.373  -0.777  -2.834
  154    HB3  PRO  17           HB1      PRO  17  11.657  -1.376  -1.200
  155    HG2  PRO  17           HG2      PRO  17  11.075  -3.028  -3.252
  156    HG3  PRO  17           HG1      PRO  17  10.568  -3.361  -1.587
  157    HD2  PRO  17           HD2      PRO  17   8.973  -2.292  -3.878
  158    HD3  PRO  17           HD1      PRO  17   8.499  -3.437  -2.605
  159    H    ILE  18           HN       ILE  18   9.754   1.625  -0.310
  160    HA   ILE  18           HA       ILE  18   9.033   3.185  -2.671
  161    HB   ILE  18           HB       ILE  18   8.981   4.013   0.237
  162   HG12  ILE  18          HG12      ILE  18   6.704   3.227  -1.602
  163   HG13  ILE  18          HG11      ILE  18   7.349   2.225  -0.305
  164   HG21  ILE  18          HG21      ILE  18   7.867   5.372  -2.215
  165   HG22  ILE  18          HG22      ILE  18   9.274   5.895  -1.289
  166   HG23  ILE  18          HG23      ILE  18   7.672   5.923  -0.552
  167   HD11  ILE  18          HD11      ILE  18   6.026   4.904   0.043
  168   HD12  ILE  18          HD12      ILE  18   6.644   3.873   1.334
  169   HD13  ILE  18          HD13      ILE  18   5.284   3.334   0.348
  170    H    LYS  19           HN       LYS  19  11.070   3.225  -3.604
  171    HA   LYS  19           HA       LYS  19  13.184   4.693  -2.232
  172    HB2  LYS  19           HB2      LYS  19  13.067   3.485  -5.004
  173    HB3  LYS  19           HB1      LYS  19  14.469   4.306  -4.330
  174    HG2  LYS  19           HG2      LYS  19  14.615   2.613  -2.575
  175    HG3  LYS  19           HG1      LYS  19  13.210   1.790  -3.255
  176    HD2  LYS  19           HD2      LYS  19  14.414   1.389  -5.324
  177    HD3  LYS  19           HD1      LYS  19  15.809   2.276  -4.709
  178    HE2  LYS  19           HE2      LYS  19  16.136  -0.136  -4.531
  179    HE3  LYS  19           HE1      LYS  19  16.095   0.627  -2.942
  180    HZ1  LYS  19           HZ1      LYS  19  14.814  -1.447  -3.059
  181    HZ2  LYS  19           HZ2      LYS  19  13.792  -0.748  -4.208
  182    HZ3  LYS  19           HZ3      LYS  19  13.855  -0.121  -2.638
  183    H    ARG  20           HN       ARG  20  10.591   5.165  -4.386
  184    HA   ARG  20           HA       ARG  20  11.428   7.423  -5.818
  185    HB2  ARG  20           HB2      ARG  20   9.015   7.823  -6.169
  186    HB3  ARG  20           HB1      ARG  20   9.463   6.148  -6.461
  187    HG2  ARG  20           HG2      ARG  20   8.608   5.535  -4.252
  188    HG3  ARG  20           HG1      ARG  20   8.148   7.215  -3.970
  189    HD2  ARG  20           HD2      ARG  20   6.226   5.909  -4.679
  190    HD3  ARG  20           HD1      ARG  20   6.638   7.117  -5.892
  191    HE   ARG  20           HE       ARG  20   7.351   4.263  -6.122
  192   HH11  ARG  20          HH11      ARG  20   6.309   7.291  -7.552
  193   HH12  ARG  20          HH12      ARG  20   6.192   6.631  -9.150
  194   HH21  ARG  20          HH21      ARG  20   7.190   3.408  -8.224
  195   HH22  ARG  20          HH22      ARG  20   6.680   4.431  -9.530
  196    HA   PRO  21           HA       PRO  21  11.313  10.711  -2.789
  197    HB2  PRO  21           HB2      PRO  21  10.341  12.425  -4.985
  198    HB3  PRO  21           HB1      PRO  21  11.799  12.581  -4.001
  199    HG2  PRO  21           HG2      PRO  21  11.916  11.817  -6.568
  200    HG3  PRO  21           HG1      PRO  21  13.020  11.158  -5.347
  201    HD2  PRO  21           HD2      PRO  21  10.588   9.920  -6.568
  202    HD3  PRO  21           HD1      PRO  21  12.148   9.180  -6.154
  203    H    SER  22           HN       SER  22   9.453   9.732  -1.748
  204    HA   SER  22           HA       SER  22   7.000  11.271  -2.248
  205    HB2  SER  22           HB2      SER  22   7.147   8.326  -1.548
  206    HB3  SER  22           HB1      SER  22   5.666   9.271  -1.698
  207    HG   SER  22           HG       SER  22   6.182   9.609  -3.893
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1  -9.135   6.567   0.609
    2    H2   LEU   1           HT2      LEU   1  -8.475   5.930   2.025
    3    H3   LEU   1           HT3      LEU   1  -8.079   7.497   1.546
    4    HA   LEU   1           HA       LEU   1  -9.638   7.566   3.348
    5    HB2  LEU   1           HB2      LEU   1 -10.922   8.318   0.716
    6    HB3  LEU   1           HB1      LEU   1 -11.428   8.896   2.288
    7    HG   LEU   1           HG       LEU   1  -8.974   9.798   2.440
    8   HD11  LEU   1          HD11      LEU   1  -8.161   8.734   0.402
    9   HD12  LEU   1          HD12      LEU   1  -8.068  10.490   0.288
   10   HD13  LEU   1          HD13      LEU   1  -9.357   9.620  -0.544
   11   HD21  LEU   1          HD21      LEU   1 -10.967  11.179   2.453
   12   HD22  LEU   1          HD22      LEU   1 -11.072  11.069   0.697
   13   HD23  LEU   1          HD23      LEU   1  -9.712  11.904   1.448
   14    H    ARG   2           HN       ARG   2 -11.475   6.369   0.524
   15    HA   ARG   2           HA       ARG   2 -13.491   5.115   2.062
   16    HB2  ARG   2           HB2      ARG   2 -13.398   5.752  -0.484
   17    HB3  ARG   2           HB1      ARG   2 -12.717   4.142  -0.659
   18    HG2  ARG   2           HG2      ARG   2 -15.028   3.954  -1.084
   19    HG3  ARG   2           HG1      ARG   2 -14.739   3.259   0.511
   20    HD2  ARG   2           HD2      ARG   2 -15.502   5.332   1.555
   21    HD3  ARG   2           HD1      ARG   2 -15.785   6.033  -0.039
   22    HE   ARG   2           HE       ARG   2 -17.290   3.829  -0.153
   23   HH11  ARG   2          HH11      ARG   2 -17.012   6.274   2.339
   24   HH12  ARG   2          HH12      ARG   2 -18.653   6.088   2.873
   25   HH21  ARG   2          HH21      ARG   2 -19.446   3.592   0.550
   26   HH22  ARG   2          HH22      ARG   2 -20.034   4.573   1.857
   27    H    LEU   3           HN       LEU   3 -13.838   2.764   2.299
   28    HA   LEU   3           HA       LEU   3 -11.712   1.672   3.662
   29    HB2  LEU   3           HB2      LEU   3 -14.347   1.060   3.379
   30    HB3  LEU   3           HB1      LEU   3 -13.531  -0.298   2.645
   31    HG   LEU   3           HG       LEU   3 -13.060   0.665   5.458
   32   HD11  LEU   3          HD11      LEU   3 -15.270  -0.328   5.176
   33   HD12  LEU   3          HD12      LEU   3 -14.216  -1.361   6.141
   34   HD13  LEU   3          HD13      LEU   3 -14.537  -1.760   4.454
   35   HD21  LEU   3          HD21      LEU   3 -11.083  -0.370   4.464
   36   HD22  LEU   3          HD22      LEU   3 -12.041  -1.782   4.020
   37   HD23  LEU   3          HD23      LEU   3 -11.779  -1.393   5.720
   38    H    ILE   4           HN       ILE   4 -13.008   0.380   0.627
   39    HA   ILE   4           HA       ILE   4 -11.035  -1.553   0.270
   40    HB   ILE   4           HB       ILE   4 -12.665  -0.128  -1.828
   41   HG12  ILE   4          HG12      ILE   4 -14.012  -1.345  -0.195
   42   HG13  ILE   4          HG11      ILE   4 -14.040  -2.171  -1.743
   43   HG21  ILE   4          HG21      ILE   4 -10.682  -1.131  -2.839
   44   HG22  ILE   4          HG22      ILE   4 -12.142  -2.001  -3.307
   45   HG23  ILE   4          HG23      ILE   4 -11.068  -2.676  -2.081
   46   HD11  ILE   4          HD11      ILE   4 -13.855  -3.778   0.024
   47   HD12  ILE   4          HD12      ILE   4 -12.437  -2.954   0.673
   48   HD13  ILE   4          HD13      ILE   4 -12.351  -3.751  -0.897
   49    H    HIS   5           HN       HIS   5 -11.112   1.823  -0.688
   50    HA   HIS   5           HA       HIS   5  -8.674   1.695  -2.186
   51    HB2  HIS   5           HB2      HIS   5 -10.263   4.030  -1.120
   52    HB3  HIS   5           HB1      HIS   5  -8.808   4.210  -2.090
   53    HD1  HIS   5           HD1      HIS   5  -9.246   4.507  -4.486
   54    HD2  HIS   5           HD2      HIS   5 -12.295   2.390  -2.622
   55    HE1  HIS   5           HE1      HIS   5 -10.988   4.134  -6.253
   56    HE2  HIS   5           HE2      HIS   5 -12.879   2.959  -5.078
   57    H    ALA   6           HN       ALA   6  -9.511   2.053   1.138
   58    HA   ALA   6           HA       ALA   6  -7.056   3.346   1.915
   59    HB1  ALA   6           HB1      ALA   6  -7.825   3.012   4.199
   60    HB2  ALA   6           HB2      ALA   6  -9.118   1.960   3.625
   61    HB3  ALA   6           HB3      ALA   6  -9.121   3.671   3.199
   62    H    VAL   7           HN       VAL   7  -8.408   0.080   2.133
   63    HA   VAL   7           HA       VAL   7  -6.087  -1.029   3.326
   64    HB   VAL   7           HB       VAL   7  -8.187  -2.166   3.617
   65   HG11  VAL   7          HG11      VAL   7  -8.187  -2.594   0.636
   66   HG12  VAL   7          HG12      VAL   7  -9.290  -1.562   1.551
   67   HG13  VAL   7          HG13      VAL   7  -9.326  -3.313   1.776
   68   HG21  VAL   7          HG21      VAL   7  -7.549  -4.453   3.012
   69   HG22  VAL   7          HG22      VAL   7  -6.185  -3.546   3.667
   70   HG23  VAL   7          HG23      VAL   7  -6.310  -3.817   1.927
   71    H    ARG   8           HN       ARG   8  -7.164  -0.660  -0.030
   72    HA   ARG   8           HA       ARG   8  -5.099  -2.096  -1.249
   73    HB2  ARG   8           HB2      ARG   8  -6.998  -0.007  -2.076
   74    HB3  ARG   8           HB1      ARG   8  -5.507  -0.056  -3.006
   75    HG2  ARG   8           HG2      ARG   8  -7.232  -1.398  -4.059
   76    HG3  ARG   8           HG1      ARG   8  -5.890  -2.402  -3.516
   77    HD2  ARG   8           HD2      ARG   8  -7.148  -3.086  -1.565
   78    HD3  ARG   8           HD1      ARG   8  -8.478  -2.024  -2.023
   79    HE   ARG   8           HE       ARG   8  -7.993  -3.758  -4.154
   80   HH11  ARG   8          HH11      ARG   8  -9.115  -3.922  -0.846
   81   HH12  ARG   8          HH12      ARG   8 -10.151  -5.284  -1.124
   82   HH21  ARG   8          HH21      ARG   8  -9.354  -5.551  -4.533
   83   HH22  ARG   8          HH22      ARG   8 -10.279  -6.214  -3.224
   84    H    GLY   9           HN       GLY   9  -5.290   1.400  -0.600
   85    HA2  GLY   9           HA2      GLY   9  -2.679   2.053  -1.320
   86    HA3  GLY   9           HA1      GLY   9  -3.647   2.939  -0.151
   87    H    TYR  10           HN       TYR  10  -3.928   0.663   1.631
   88    HA   TYR  10           HA       TYR  10  -1.770   0.990   3.331
   89    HB2  TYR  10           HB2      TYR  10  -3.707   0.112   4.301
   90    HB3  TYR  10           HB1      TYR  10  -3.871  -1.138   3.077
   91    HD1  TYR  10           HD1      TYR  10  -1.439  -0.104   5.738
   92    HD2  TYR  10           HD2      TYR  10  -3.381  -3.290   3.692
   93    HE1  TYR  10           HE1      TYR  10  -0.350  -1.721   7.237
   94    HE2  TYR  10           HE2      TYR  10  -2.294  -4.914   5.183
   95    HH   TYR  10           HH       TYR  10  -0.272  -5.044   6.605
   96    H    TRP  11           HN       TRP  11  -2.375  -2.005   1.405
   97    HA   TRP  11           HA       TRP  11   0.234  -2.932   2.067
   98    HB2  TRP  11           HB2      TRP  11  -0.205  -4.817   0.565
   99    HB3  TRP  11           HB1      TRP  11  -1.529  -4.537   1.678
  100    HD1  TRP  11           HD1      TRP  11  -3.837  -3.625   0.645
  101    HE1  TRP  11           HE1      TRP  11  -4.810  -3.844  -1.721
  102    HE3  TRP  11           HE3      TRP  11   0.435  -4.847  -1.868
  103    HZ2  TRP  11           HZ2      TRP  11  -3.885  -4.457  -4.322
  104    HZ3  TRP  11           HZ3      TRP  11   0.307  -5.247  -4.294
  105    HH2  TRP  11           HH2      TRP  11  -1.810  -5.054  -5.493
  106    H    LEU  12           HN       LEU  12  -1.089  -1.187  -0.643
  107    HA   LEU  12           HA       LEU  12   1.025  -1.529  -2.447
  108    HB2  LEU  12           HB2      LEU  12  -0.916   0.738  -2.066
  109    HB3  LEU  12           HB1      LEU  12   0.216   0.651  -3.402
  110    HG   LEU  12           HG       LEU  12  -1.865  -1.460  -2.833
  111   HD11  LEU  12          HD11      LEU  12  -1.929   0.821  -4.818
  112   HD12  LEU  12          HD12      LEU  12  -2.944   0.666  -3.385
  113   HD13  LEU  12          HD13      LEU  12  -3.108  -0.484  -4.709
  114   HD21  LEU  12          HD21      LEU  12  -1.367  -2.152  -5.136
  115   HD22  LEU  12          HD22      LEU  12   0.054  -2.260  -4.097
  116   HD23  LEU  12          HD23      LEU  12  -0.109  -0.918  -5.230
  117    H    THR  13           HN       THR  13   0.717   0.567   0.341
  118    HA   THR  13           HA       THR  13   3.152   2.011  -0.352
  119    HB   THR  13           HB       THR  13   2.769   3.169   1.858
  120    HG1  THR  13           HG1      THR  13   0.220   1.886   1.745
  121   HG21  THR  13          HG21      THR  13   0.881   4.498   1.047
  122   HG22  THR  13          HG22      THR  13   0.514   3.248  -0.141
  123   HG23  THR  13          HG23      THR  13   2.027   4.150  -0.249
  124    H    ASN  14           HN       ASN  14   2.387  -0.865   1.105
  125    HA   ASN  14           HA       ASN  14   4.566  -0.768   3.062
  126    HB2  ASN  14           HB2      ASN  14   2.089  -2.346   2.744
  127    HB3  ASN  14           HB1      ASN  14   3.443  -3.143   3.540
  128   HD21  ASN  14          HD21      ASN  14   1.178  -0.495   3.696
  129   HD22  ASN  14          HD22      ASN  14   1.426  -0.124   5.369
  130    H    LYS  15           HN       LYS  15   3.688  -2.197   0.035
  131    HA   LYS  15           HA       LYS  15   5.677  -4.256   0.033
  132    HB2  LYS  15           HB2      LYS  15   4.337  -2.854  -2.286
  133    HB3  LYS  15           HB1      LYS  15   5.267  -4.338  -2.385
  134    HG2  LYS  15           HG2      LYS  15   2.692  -3.958  -0.888
  135    HG3  LYS  15           HG1      LYS  15   2.890  -4.801  -2.427
  136    HD2  LYS  15           HD2      LYS  15   4.345  -6.444  -1.343
  137    HD3  LYS  15           HD1      LYS  15   4.157  -5.601   0.194
  138    HE2  LYS  15           HE2      LYS  15   1.754  -6.052   0.141
  139    HE3  LYS  15           HE1      LYS  15   1.949  -6.903  -1.390
  140    HZ1  LYS  15           HZ1      LYS  15   1.851  -8.427   0.494
  141    HZ2  LYS  15           HZ2      LYS  15   3.208  -7.692   1.183
  142    HZ3  LYS  15           HZ3      LYS  15   3.348  -8.518  -0.286
  143    H    VAL  16           HN       VAL  16   5.834  -1.004   0.013
  144    HA   VAL  16           HA       VAL  16   8.058  -0.646  -1.798
  145    HB   VAL  16           HB       VAL  16   7.034   1.453   0.076
  146   HG11  VAL  16          HG11      VAL  16   8.942   2.004  -1.306
  147   HG12  VAL  16          HG12      VAL  16   7.533   2.933  -1.821
  148   HG13  VAL  16          HG13      VAL  16   8.057   1.535  -2.758
  149   HG21  VAL  16          HG21      VAL  16   5.647   0.592  -2.462
  150   HG22  VAL  16          HG22      VAL  16   5.245   2.013  -1.497
  151   HG23  VAL  16          HG23      VAL  16   5.025   0.393  -0.817
  152    HA   PRO  17           HA       PRO  17  10.852  -1.483   1.645
  153    HB2  PRO  17           HB2      PRO  17  13.130  -0.980   0.212
  154    HB3  PRO  17           HB1      PRO  17  12.293  -2.536   0.218
  155    HG2  PRO  17           HG2      PRO  17  12.227  -0.351  -1.808
  156    HG3  PRO  17           HG1      PRO  17  12.202  -2.106  -2.047
  157    HD2  PRO  17           HD2      PRO  17   9.984  -0.554  -2.236
  158    HD3  PRO  17           HD1      PRO  17   9.931  -2.245  -1.700
  159    H    ILE  18           HN       ILE  18  12.025  -0.181   3.031
  160    HA   ILE  18           HA       ILE  18  11.561   2.645   2.661
  161    HB   ILE  18           HB       ILE  18  12.923   1.301   5.000
  162   HG12  ILE  18          HG12      ILE  18   9.997   2.000   4.633
  163   HG13  ILE  18          HG11      ILE  18  10.661   0.371   4.586
  164   HG21  ILE  18          HG21      ILE  18  11.538   3.973   4.741
  165   HG22  ILE  18          HG22      ILE  18  13.280   3.721   4.840
  166   HG23  ILE  18          HG23      ILE  18  12.251   3.323   6.216
  167   HD11  ILE  18          HD11      ILE  18  10.663   2.222   6.952
  168   HD12  ILE  18          HD12      ILE  18  11.363   0.604   6.915
  169   HD13  ILE  18          HD13      ILE  18   9.623   0.817   6.718
  170    H    LYS  19           HN       LYS  19  12.983   2.770   0.817
  171    HA   LYS  19           HA       LYS  19  15.835   2.689   1.326
  172    HB2  LYS  19           HB2      LYS  19  15.051   1.866  -0.805
  173    HB3  LYS  19           HB1      LYS  19  14.180   3.358  -1.114
  174    HG2  LYS  19           HG2      LYS  19  16.283   4.564  -1.263
  175    HG3  LYS  19           HG1      LYS  19  17.171   3.072  -0.945
  176    HD2  LYS  19           HD2      LYS  19  15.332   3.548  -3.295
  177    HD3  LYS  19           HD1      LYS  19  17.093   3.621  -3.349
  178    HE2  LYS  19           HE2      LYS  19  17.222   1.275  -2.700
  179    HE3  LYS  19           HE1      LYS  19  15.467   1.194  -2.594
  180    HZ1  LYS  19           HZ1      LYS  19  15.344   1.675  -4.960
  181    HZ2  LYS  19           HZ2      LYS  19  16.252   0.281  -4.671
  182    HZ3  LYS  19           HZ3      LYS  19  17.031   1.732  -5.057
  183    H    ARG  20           HN       ARG  20  13.245   4.988   0.821
  184    HA   ARG  20           HA       ARG  20  15.069   7.236   1.283
  185    HB2  ARG  20           HB2      ARG  20  12.124   7.347   0.623
  186    HB3  ARG  20           HB1      ARG  20  13.285   8.661   0.536
  187    HG2  ARG  20           HG2      ARG  20  14.360   7.675  -1.355
  188    HG3  ARG  20           HG1      ARG  20  13.388   6.210  -1.203
  189    HD2  ARG  20           HD2      ARG  20  12.390   8.976  -1.873
  190    HD3  ARG  20           HD1      ARG  20  12.493   7.599  -2.970
  191    HE   ARG  20           HE       ARG  20  10.922   6.732  -0.897
  192   HH11  ARG  20          HH11      ARG  20  10.769   9.381  -3.182
  193   HH12  ARG  20          HH12      ARG  20   9.038   9.441  -3.184
  194   HH21  ARG  20          HH21      ARG  20   8.641   6.826  -0.886
  195   HH22  ARG  20          HH22      ARG  20   7.829   8.009  -1.860
  196    HA   PRO  21           HA       PRO  21  13.422   7.598   5.452
  197    HB2  PRO  21           HB2      PRO  21  14.092  10.428   5.445
  198    HB3  PRO  21           HB1      PRO  21  14.842   9.116   6.356
  199    HG2  PRO  21           HG2      PRO  21  16.096  10.428   4.331
  200    HG3  PRO  21           HG1      PRO  21  16.437   8.741   4.755
  201    HD2  PRO  21           HD2      PRO  21  14.749   9.838   2.541
  202    HD3  PRO  21           HD1      PRO  21  15.873   8.463   2.528
  203    H    SER  22           HN       SER  22  11.265   7.354   4.453
  204    HA   SER  22           HA       SER  22   9.809   9.884   4.150
  205    HB2  SER  22           HB2      SER  22   8.917   7.088   3.395
  206    HB3  SER  22           HB1      SER  22   8.117   8.603   2.970
  207    HG   SER  22           HG       SER  22  10.345   9.064   1.991
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1 -12.741   7.547   4.961
    2    H2   LEU   1           HT2      LEU   1 -11.634   8.629   4.281
    3    H3   LEU   1           HT3      LEU   1 -11.219   7.006   4.474
    4    HA   LEU   1           HA       LEU   1 -13.355   8.018   2.706
    5    HB2  LEU   1           HB2      LEU   1 -10.594   6.972   2.095
    6    HB3  LEU   1           HB1      LEU   1 -11.837   7.228   0.888
    7    HG   LEU   1           HG       LEU   1 -10.627   9.393   2.610
    8   HD11  LEU   1          HD11      LEU   1 -10.182   8.699  -0.286
    9   HD12  LEU   1          HD12      LEU   1  -9.018   8.505   1.023
   10   HD13  LEU   1          HD13      LEU   1  -9.542  10.118   0.540
   11   HD21  LEU   1          HD21      LEU   1 -12.917   9.896   1.965
   12   HD22  LEU   1          HD22      LEU   1 -12.541   9.529   0.284
   13   HD23  LEU   1          HD23      LEU   1 -11.787  10.914   1.072
   14    H    ARG   2           HN       ARG   2 -13.234   6.012   0.861
   15    HA   ARG   2           HA       ARG   2 -14.600   3.884   2.116
   16    HB2  ARG   2           HB2      ARG   2 -14.791   4.611  -0.303
   17    HB3  ARG   2           HB1      ARG   2 -13.274   3.759  -0.573
   18    HG2  ARG   2           HG2      ARG   2 -14.220   1.678  -0.032
   19    HG3  ARG   2           HG1      ARG   2 -15.673   2.428   0.628
   20    HD2  ARG   2           HD2      ARG   2 -16.200   3.290  -1.621
   21    HD3  ARG   2           HD1      ARG   2 -14.811   2.408  -2.256
   22    HE   ARG   2           HE       ARG   2 -16.484   0.649  -0.831
   23   HH11  ARG   2          HH11      ARG   2 -16.381   2.446  -3.823
   24   HH12  ARG   2          HH12      ARG   2 -17.414   1.340  -4.672
   25   HH21  ARG   2          HH21      ARG   2 -17.837  -0.821  -1.942
   26   HH22  ARG   2          HH22      ARG   2 -18.240  -0.524  -3.601
   27    H    LEU   3           HN       LEU   3 -13.918   1.984   2.888
   28    HA   LEU   3           HA       LEU   3 -11.232   1.705   3.598
   29    HB2  LEU   3           HB2      LEU   3 -11.954  -0.669   4.215
   30    HB3  LEU   3           HB1      LEU   3 -12.664   0.680   5.085
   31    HG   LEU   3           HG       LEU   3 -14.586   0.424   3.321
   32   HD11  LEU   3          HD11      LEU   3 -14.927  -1.869   2.596
   33   HD12  LEU   3          HD12      LEU   3 -13.377  -2.336   3.293
   34   HD13  LEU   3          HD13      LEU   3 -13.430  -1.221   1.928
   35   HD21  LEU   3          HD21      LEU   3 -14.862   0.109   5.688
   36   HD22  LEU   3          HD22      LEU   3 -14.117  -1.486   5.591
   37   HD23  LEU   3          HD23      LEU   3 -15.678  -1.192   4.820
   38    H    ILE   4           HN       ILE   4 -12.972   0.499   0.855
   39    HA   ILE   4           HA       ILE   4 -11.165  -1.493   0.116
   40    HB   ILE   4           HB       ILE   4 -12.876   0.248  -1.670
   41   HG12  ILE   4          HG12      ILE   4 -14.156  -1.101  -0.075
   42   HG13  ILE   4          HG11      ILE   4 -14.373  -1.699  -1.714
   43   HG21  ILE   4          HG21      ILE   4 -12.573  -1.518  -3.366
   44   HG22  ILE   4          HG22      ILE   4 -11.390  -2.296  -2.317
   45   HG23  ILE   4          HG23      ILE   4 -11.067  -0.691  -2.972
   46   HD11  ILE   4          HD11      ILE   4 -12.584  -2.899   0.386
   47   HD12  ILE   4          HD12      ILE   4 -12.765  -3.489  -1.266
   48   HD13  ILE   4          HD13      ILE   4 -14.137  -3.535  -0.158
   49    H    HIS   5           HN       HIS   5 -11.204   1.978  -0.604
   50    HA   HIS   5           HA       HIS   5  -8.782   1.906  -2.123
   51    HB2  HIS   5           HB2      HIS   5 -10.421   4.117  -0.917
   52    HB3  HIS   5           HB1      HIS   5  -8.830   4.450  -1.585
   53    HD1  HIS   5           HD1      HIS   5  -8.804   5.009  -3.983
   54    HD2  HIS   5           HD2      HIS   5 -12.189   2.845  -2.932
   55    HE1  HIS   5           HE1      HIS   5 -10.210   4.908  -6.050
   56    HE2  HIS   5           HE2      HIS   5 -12.344   3.790  -5.330
   57    H    ALA   6           HN       ALA   6  -9.625   2.260   1.233
   58    HA   ALA   6           HA       ALA   6  -7.171   3.298   2.165
   59    HB1  ALA   6           HB1      ALA   6  -9.304   3.330   3.434
   60    HB2  ALA   6           HB2      ALA   6  -7.941   2.706   4.363
   61    HB3  ALA   6           HB3      ALA   6  -9.134   1.594   3.691
   62    H    VAL   7           HN       VAL   7  -8.425  -0.039   2.003
   63    HA   VAL   7           HA       VAL   7  -6.080  -1.170   3.121
   64    HB   VAL   7           HB       VAL   7  -8.143  -2.399   3.269
   65   HG11  VAL   7          HG11      VAL   7  -9.233  -1.676   1.240
   66   HG12  VAL   7          HG12      VAL   7  -9.187  -3.440   1.308
   67   HG13  VAL   7          HG13      VAL   7  -8.062  -2.568   0.265
   68   HG21  VAL   7          HG21      VAL   7  -6.114  -3.710   3.274
   69   HG22  VAL   7          HG22      VAL   7  -6.141  -3.807   1.515
   70   HG23  VAL   7          HG23      VAL   7  -7.400  -4.600   2.461
   71    H    ARG   8           HN       ARG   8  -7.133  -0.622  -0.221
   72    HA   ARG   8           HA       ARG   8  -5.094  -1.994  -1.528
   73    HB2  ARG   8           HB2      ARG   8  -6.946   0.184  -2.217
   74    HB3  ARG   8           HB1      ARG   8  -5.466   0.154  -3.160
   75    HG2  ARG   8           HG2      ARG   8  -7.217  -1.068  -4.290
   76    HG3  ARG   8           HG1      ARG   8  -5.925  -2.158  -3.797
   77    HD2  ARG   8           HD2      ARG   8  -7.216  -2.977  -1.967
   78    HD3  ARG   8           HD1      ARG   8  -8.451  -1.746  -2.219
   79    HE   ARG   8           HE       ARG   8  -8.439  -3.058  -4.571
   80   HH11  ARG   8          HH11      ARG   8  -8.621  -4.194  -1.265
   81   HH12  ARG   8          HH12      ARG   8  -9.635  -5.545  -1.652
   82   HH21  ARG   8          HH21      ARG   8  -9.780  -4.832  -5.075
   83   HH22  ARG   8          HH22      ARG   8 -10.285  -5.910  -3.817
   84    H    GLY   9           HN       GLY   9  -5.202   1.499  -0.848
   85    HA2  GLY   9           HA2      GLY   9  -2.562   2.056  -1.547
   86    HA3  GLY   9           HA1      GLY   9  -3.524   3.004  -0.423
   87    H    TYR  10           HN       TYR  10  -3.913   0.840   1.436
   88    HA   TYR  10           HA       TYR  10  -1.782   1.157   3.165
   89    HB2  TYR  10           HB2      TYR  10  -3.802   0.401   4.096
   90    HB3  TYR  10           HB1      TYR  10  -3.936  -0.928   2.953
   91    HD1  TYR  10           HD1      TYR  10  -3.420  -3.052   3.672
   92    HD2  TYR  10           HD2      TYR  10  -1.696   0.269   5.697
   93    HE1  TYR  10           HE1      TYR  10  -2.400  -4.583   5.301
   94    HE2  TYR  10           HE2      TYR  10  -0.673  -1.255   7.336
   95    HH   TYR  10           HH       TYR  10  -1.033  -3.523   8.221
   96    H    TRP  11           HN       TRP  11  -2.469  -1.897   1.367
   97    HA   TRP  11           HA       TRP  11   0.061  -2.922   2.170
   98    HB2  TRP  11           HB2      TRP  11  -0.419  -4.873   0.825
   99    HB3  TRP  11           HB1      TRP  11  -1.842  -4.409   1.735
  100    HD1  TRP  11           HD1      TRP  11  -3.957  -3.534   0.356
  101    HE1  TRP  11           HE1      TRP  11  -4.639  -3.870  -2.100
  102    HE3  TRP  11           HE3      TRP  11   0.540  -5.036  -1.530
  103    HZ2  TRP  11           HZ2      TRP  11  -3.429  -4.672  -4.523
  104    HZ3  TRP  11           HZ3      TRP  11   0.697  -5.576  -3.925
  105    HH2  TRP  11           HH2      TRP  11  -1.249  -5.396  -5.392
  106    H    LEU  12           HN       LEU  12  -1.080  -1.304  -0.700
  107    HA   LEU  12           HA       LEU  12   1.049  -1.810  -2.416
  108    HB2  LEU  12           HB2      LEU  12  -0.758   0.583  -2.142
  109    HB3  LEU  12           HB1      LEU  12   0.403   0.410  -3.441
  110    HG   LEU  12           HG       LEU  12  -1.799  -1.582  -2.906
  111   HD11  LEU  12          HD11      LEU  12  -2.788   0.569  -3.476
  112   HD12  LEU  12          HD12      LEU  12  -2.945  -0.554  -4.827
  113   HD13  LEU  12          HD13      LEU  12  -1.718   0.714  -4.872
  114   HD21  LEU  12          HD21      LEU  12   0.024  -1.136  -5.271
  115   HD22  LEU  12          HD22      LEU  12  -1.297  -2.301  -5.203
  116   HD23  LEU  12          HD23      LEU  12   0.095  -2.484  -4.136
  117    H    THR  13           HN       THR  13   0.788   0.554   0.194
  118    HA   THR  13           HA       THR  13   3.352   1.728  -0.541
  119    HB   THR  13           HB       THR  13   2.940   3.203   1.457
  120    HG1  THR  13           HG1      THR  13   0.276   2.233   1.419
  121   HG21  THR  13          HG21      THR  13   2.343   3.918  -0.799
  122   HG22  THR  13          HG22      THR  13   1.162   4.499   0.374
  123   HG23  THR  13          HG23      THR  13   0.780   3.115  -0.650
  124    H    ASN  14           HN       ASN  14   2.240  -0.797   1.403
  125    HA   ASN  14           HA       ASN  14   4.326  -0.471   3.418
  126    HB2  ASN  14           HB2      ASN  14   1.799  -1.978   3.216
  127    HB3  ASN  14           HB1      ASN  14   3.057  -2.673   4.236
  128   HD21  ASN  14          HD21      ASN  14   0.942   0.062   3.749
  129   HD22  ASN  14          HD22      ASN  14   1.094   0.714   5.348
  130    H    LYS  15           HN       LYS  15   3.604  -2.421   0.642
  131    HA   LYS  15           HA       LYS  15   5.480  -4.505   1.212
  132    HB2  LYS  15           HB2      LYS  15   4.412  -3.536  -1.447
  133    HB3  LYS  15           HB1      LYS  15   5.276  -5.040  -1.179
  134    HG2  LYS  15           HG2      LYS  15   2.606  -4.303  -0.019
  135    HG3  LYS  15           HG1      LYS  15   2.884  -5.414  -1.361
  136    HD2  LYS  15           HD2      LYS  15   4.188  -6.868   0.142
  137    HD3  LYS  15           HD1      LYS  15   3.841  -5.770   1.478
  138    HE2  LYS  15           HE2      LYS  15   1.446  -6.185   1.190
  139    HE3  LYS  15           HE1      LYS  15   1.800  -7.287  -0.138
  140    HZ1  LYS  15           HZ1      LYS  15   3.013  -8.697   1.414
  141    HZ2  LYS  15           HZ2      LYS  15   1.409  -8.494   1.905
  142    HZ3  LYS  15           HZ3      LYS  15   2.644  -7.645   2.686
  143    H    VAL  16           HN       VAL  16   5.780  -1.313   0.542
  144    HA   VAL  16           HA       VAL  16   8.225  -1.426  -1.020
  145    HB   VAL  16           HB       VAL  16   7.125   1.091   0.145
  146   HG11  VAL  16          HG11      VAL  16   7.831   2.022  -2.003
  147   HG12  VAL  16          HG12      VAL  16   8.317   0.413  -2.538
  148   HG13  VAL  16          HG13      VAL  16   9.153   1.183  -1.190
  149   HG21  VAL  16          HG21      VAL  16   5.876  -0.360  -2.186
  150   HG22  VAL  16          HG22      VAL  16   5.475   1.271  -1.654
  151   HG23  VAL  16          HG23      VAL  16   5.132  -0.108  -0.601
  152    HA   PRO  17           HA       PRO  17  10.551  -1.103   2.825
  153    HB2  PRO  17           HB2      PRO  17  12.993  -1.462   1.778
  154    HB3  PRO  17           HB1      PRO  17  11.857  -2.805   1.966
  155    HG2  PRO  17           HG2      PRO  17  12.564  -1.248  -0.483
  156    HG3  PRO  17           HG1      PRO  17  12.250  -2.982  -0.308
  157    HD2  PRO  17           HD2      PRO  17  10.420  -1.137  -1.247
  158    HD3  PRO  17           HD1      PRO  17   9.999  -2.711  -0.546
  159    H    ILE  18           HN       ILE  18  12.000   0.381   3.738
  160    HA   ILE  18           HA       ILE  18  12.701   2.466   4.214
  161    HB   ILE  18           HB       ILE  18  13.682   2.244   1.387
  162   HG12  ILE  18          HG12      ILE  18  15.022   1.694   4.036
  163   HG13  ILE  18          HG11      ILE  18  14.490   0.481   2.877
  164   HG21  ILE  18          HG21      ILE  18  13.667   4.584   2.093
  165   HG22  ILE  18          HG22      ILE  18  15.319   3.977   1.987
  166   HG23  ILE  18          HG23      ILE  18  14.543   4.153   3.561
  167   HD11  ILE  18          HD11      ILE  18  16.892   0.832   2.772
  168   HD12  ILE  18          HD12      ILE  18  16.635   2.538   2.410
  169   HD13  ILE  18          HD13      ILE  18  16.113   1.305   1.263
  170    H    LYS  19           HN       LYS  19  10.777   3.548   4.545
  171    HA   LYS  19           HA       LYS  19   9.530   4.872   2.261
  172    HB2  LYS  19           HB2      LYS  19   8.654   4.896   5.152
  173    HB3  LYS  19           HB1      LYS  19   7.723   5.449   3.770
  174    HG2  LYS  19           HG2      LYS  19   8.538   2.614   4.362
  175    HG3  LYS  19           HG1      LYS  19   6.926   3.301   4.526
  176    HD2  LYS  19           HD2      LYS  19   8.422   3.149   1.914
  177    HD3  LYS  19           HD1      LYS  19   7.303   1.910   2.470
  178    HE2  LYS  19           HE2      LYS  19   5.924   3.167   1.139
  179    HE3  LYS  19           HE1      LYS  19   5.652   3.927   2.703
  180    HZ1  LYS  19           HZ1      LYS  19   7.131   5.698   2.105
  181    HZ2  LYS  19           HZ2      LYS  19   5.990   5.516   0.873
  182    HZ3  LYS  19           HZ3      LYS  19   7.559   4.930   0.660
  183    H    ARG  20           HN       ARG  20  11.779   5.485   4.720
  184    HA   ARG  20           HA       ARG  20  11.315   8.312   4.892
  185    HB2  ARG  20           HB2      ARG  20  13.402   8.383   6.185
  186    HB3  ARG  20           HB1      ARG  20  12.291   7.168   6.795
  187    HG2  ARG  20           HG2      ARG  20  13.598   5.438   5.603
  188    HG3  ARG  20           HG1      ARG  20  14.740   6.689   5.114
  189    HD2  ARG  20           HD2      ARG  20  15.482   5.432   7.112
  190    HD3  ARG  20           HD1      ARG  20  15.289   7.158   7.412
  191    HE   ARG  20           HE       ARG  20  12.906   5.773   8.066
  192   HH11  ARG  20          HH11      ARG  20  16.163   6.298   9.234
  193   HH12  ARG  20          HH12      ARG  20  15.736   6.076  10.900
  194   HH21  ARG  20          HH21      ARG  20  12.340   5.487  10.256
  195   HH22  ARG  20          HH22      ARG  20  13.563   5.614  11.482
  196    HA   PRO  21           HA       PRO  21  13.302   9.407   1.103
  197    HB2  PRO  21           HB2      PRO  21  13.907  11.987   2.387
  198    HB3  PRO  21           HB1      PRO  21  12.948  11.644   0.947
  199    HG2  PRO  21           HG2      PRO  21  11.811  12.398   3.253
  200    HG3  PRO  21           HG1      PRO  21  11.030  11.252   2.152
  201    HD2  PRO  21           HD2      PRO  21  12.478  10.736   4.711
  202    HD3  PRO  21           HD1      PRO  21  11.024   9.962   4.051
  203    H    SER  22           HN       SER  22  15.290   9.077   0.358
  204    HA   SER  22           HA       SER  22  17.561   9.449   2.186
  205    HB2  SER  22           HB2      SER  22  17.447   7.845  -0.383
  206    HB3  SER  22           HB1      SER  22  18.762   7.859   0.791
  207    HG   SER  22           HG       SER  22  17.480   6.796   2.244
  Start of MODEL   11
    1    H1   LEU   1           HT1      LEU   1 -11.898   8.653   2.589
    2    H2   LEU   1           HT2      LEU   1 -10.350   9.048   2.047
    3    H3   LEU   1           HT3      LEU   1 -10.682   7.484   2.592
    4    HA   LEU   1           HA       LEU   1 -11.830   8.775   0.192
    5    HB2  LEU   1           HB2      LEU   1  -9.915   6.444   0.431
    6    HB3  LEU   1           HB1      LEU   1 -10.620   7.028  -1.058
    7    HG   LEU   1           HG       LEU   1  -8.460   7.871  -1.109
    8   HD11  LEU   1          HD11      LEU   1  -8.635  10.285  -0.826
    9   HD12  LEU   1          HD12      LEU   1 -10.117  10.069   0.104
   10   HD13  LEU   1          HD13      LEU   1 -10.069   9.610  -1.596
   11   HD21  LEU   1          HD21      LEU   1  -8.732   8.651   1.788
   12   HD22  LEU   1          HD22      LEU   1  -7.327   8.949   0.766
   13   HD23  LEU   1          HD23      LEU   1  -7.802   7.295   1.152
   14    H    ARG   2           HN       ARG   2 -11.258   5.463   1.353
   15    HA   ARG   2           HA       ARG   2 -13.908   4.777   1.924
   16    HB2  ARG   2           HB2      ARG   2 -13.936   5.185  -0.659
   17    HB3  ARG   2           HB1      ARG   2 -13.100   3.645  -0.737
   18    HG2  ARG   2           HG2      ARG   2 -15.438   3.286  -1.089
   19    HG3  ARG   2           HG1      ARG   2 -14.984   2.604   0.474
   20    HD2  ARG   2           HD2      ARG   2 -15.857   4.602   1.590
   21    HD3  ARG   2           HD1      ARG   2 -16.311   5.276   0.025
   22    HE   ARG   2           HE       ARG   2 -17.508   2.770   0.245
   23   HH11  ARG   2          HH11      ARG   2 -17.722   5.940   1.723
   24   HH12  ARG   2          HH12      ARG   2 -19.365   5.723   2.232
   25   HH21  ARG   2          HH21      ARG   2 -19.664   2.499   0.883
   26   HH22  ARG   2          HH22      ARG   2 -20.471   3.764   1.755
   27    H    LEU   3           HN       LEU   3 -14.111   2.351   2.148
   28    HA   LEU   3           HA       LEU   3 -12.028   1.284   3.569
   29    HB2  LEU   3           HB2      LEU   3 -14.474   0.567   3.378
   30    HB3  LEU   3           HB1      LEU   3 -13.904  -0.373   2.032
   31    HG   LEU   3           HG       LEU   3 -12.758  -0.729   4.778
   32   HD11  LEU   3          HD11      LEU   3 -14.295  -2.626   5.029
   33   HD12  LEU   3          HD12      LEU   3 -15.092  -2.166   3.525
   34   HD13  LEU   3          HD13      LEU   3 -15.159  -1.092   4.921
   35   HD21  LEU   3          HD21      LEU   3 -11.456  -1.642   2.922
   36   HD22  LEU   3          HD22      LEU   3 -12.873  -2.523   2.352
   37   HD23  LEU   3          HD23      LEU   3 -12.147  -2.932   3.907
   38    H    ILE   4           HN       ILE   4 -12.961   0.351   0.297
   39    HA   ILE   4           HA       ILE   4 -10.898  -1.466  -0.135
   40    HB   ILE   4           HB       ILE   4 -12.324   0.193  -2.215
   41   HG12  ILE   4          HG12      ILE   4 -13.918  -1.001  -0.836
   42   HG13  ILE   4          HG11      ILE   4 -13.804  -1.795  -2.398
   43   HG21  ILE   4          HG21      ILE   4 -11.761  -1.606  -3.760
   44   HG22  ILE   4          HG22      ILE   4 -10.888  -2.446  -2.480
   45   HG23  ILE   4          HG23      ILE   4 -10.303  -0.893  -3.073
   46   HD11  ILE   4          HD11      ILE   4 -13.918  -3.417  -0.605
   47   HD12  ILE   4          HD12      ILE   4 -12.488  -2.711   0.146
   48   HD13  ILE   4          HD13      ILE   4 -12.359  -3.506  -1.423
   49    H    HIS   5           HN       HIS   5 -11.053   1.991  -0.825
   50    HA   HIS   5           HA       HIS   5  -8.460   2.104  -2.014
   51    HB2  HIS   5           HB2      HIS   5 -10.311   4.230  -0.944
   52    HB3  HIS   5           HB1      HIS   5  -8.722   4.610  -1.591
   53    HD1  HIS   5           HD1      HIS   5  -8.727   5.185  -3.993
   54    HD2  HIS   5           HD2      HIS   5 -11.917   2.723  -2.983
   55    HE1  HIS   5           HE1      HIS   5 -10.094   4.957  -6.080
   56    HE2  HIS   5           HE2      HIS   5 -11.894   3.295  -5.504
   57    H    ALA   6           HN       ALA   6  -9.644   2.047   1.218
   58    HA   ALA   6           HA       ALA   6  -7.365   3.334   2.411
   59    HB1  ALA   6           HB1      ALA   6  -9.455   1.567   3.676
   60    HB2  ALA   6           HB2      ALA   6  -9.554   3.318   3.515
   61    HB3  ALA   6           HB3      ALA   6  -8.307   2.597   4.528
   62    H    VAL   7           HN       VAL   7  -8.513  -0.025   2.201
   63    HA   VAL   7           HA       VAL   7  -6.200  -1.067   3.472
   64    HB   VAL   7           HB       VAL   7  -8.254  -2.319   3.588
   65   HG11  VAL   7          HG11      VAL   7  -9.276  -1.698   1.497
   66   HG12  VAL   7          HG12      VAL   7  -9.186  -3.458   1.617
   67   HG13  VAL   7          HG13      VAL   7  -8.041  -2.585   0.599
   68   HG21  VAL   7          HG21      VAL   7  -7.453  -4.542   2.886
   69   HG22  VAL   7          HG22      VAL   7  -6.219  -3.611   3.735
   70   HG23  VAL   7          HG23      VAL   7  -6.154  -3.767   1.978
   71    H    ARG   8           HN       ARG   8  -7.122  -0.689   0.058
   72    HA   ARG   8           HA       ARG   8  -5.013  -2.136  -1.058
   73    HB2  ARG   8           HB2      ARG   8  -6.895  -0.088  -2.011
   74    HB3  ARG   8           HB1      ARG   8  -5.380  -0.173  -2.903
   75    HG2  ARG   8           HG2      ARG   8  -7.049  -1.564  -3.952
   76    HG3  ARG   8           HG1      ARG   8  -5.755  -2.558  -3.290
   77    HD2  ARG   8           HD2      ARG   8  -7.143  -3.052  -1.335
   78    HD3  ARG   8           HD1      ARG   8  -8.440  -2.072  -2.014
   79    HE   ARG   8           HE       ARG   8  -7.723  -4.005  -3.901
   80   HH11  ARG   8          HH11      ARG   8  -9.196  -3.836  -0.737
   81   HH12  ARG   8          HH12      ARG   8 -10.168  -5.251  -0.969
   82   HH21  ARG   8          HH21      ARG   8  -8.997  -5.866  -4.220
   83   HH22  ARG   8          HH22      ARG   8 -10.064  -6.398  -2.958
   84    H    GLY   9           HN       GLY   9  -5.212   1.393  -0.644
   85    HA2  GLY   9           HA2      GLY   9  -2.606   1.996  -1.387
   86    HA3  GLY   9           HA1      GLY   9  -3.579   2.964  -0.290
   87    H    TYR  10           HN       TYR  10  -3.851   0.827   1.654
   88    HA   TYR  10           HA       TYR  10  -1.666   1.309   3.296
   89    HB2  TYR  10           HB2      TYR  10  -3.612   0.582   4.375
   90    HB3  TYR  10           HB1      TYR  10  -3.813  -0.789   3.292
   91    HD1  TYR  10           HD1      TYR  10  -1.237   0.465   5.721
   92    HD2  TYR  10           HD2      TYR  10  -3.440  -2.848   4.203
   93    HE1  TYR  10           HE1      TYR  10  -0.146  -1.005   7.364
   94    HE2  TYR  10           HE2      TYR  10  -2.350  -4.325   5.844
   95    HH   TYR  10           HH       TYR  10  -0.220  -4.361   7.157
   96    H    TRP  11           HN       TRP  11  -2.368  -1.760   1.533
   97    HA   TRP  11           HA       TRP  11   0.227  -2.717   2.287
   98    HB2  TRP  11           HB2      TRP  11  -0.305  -4.752   1.062
   99    HB3  TRP  11           HB1      TRP  11  -1.610  -4.291   2.135
  100    HD1  TRP  11           HD1      TRP  11  -3.917  -3.536   1.013
  101    HE1  TRP  11           HE1      TRP  11  -4.911  -4.038  -1.303
  102    HE3  TRP  11           HE3      TRP  11   0.338  -5.021  -1.375
  103    HZ2  TRP  11           HZ2      TRP  11  -4.001  -4.942  -3.822
  104    HZ3  TRP  11           HZ3      TRP  11   0.195  -5.700  -3.735
  105    HH2  TRP  11           HH2      TRP  11  -1.931  -5.658  -4.932
  106    H    LEU  12           HN       LEU  12  -1.135  -1.226  -0.545
  107    HA   LEU  12           HA       LEU  12   0.887  -1.864  -2.377
  108    HB2  LEU  12           HB2      LEU  12  -0.962   0.502  -2.181
  109    HB3  LEU  12           HB1      LEU  12   0.107   0.230  -3.541
  110    HG   LEU  12           HG       LEU  12  -1.981  -1.759  -2.661
  111   HD11  LEU  12          HD11      LEU  12  -2.148   0.324  -4.840
  112   HD12  LEU  12          HD12      LEU  12  -3.068   0.324  -3.336
  113   HD13  LEU  12          HD13      LEU  12  -3.330  -0.945  -4.532
  114   HD21  LEU  12          HD21      LEU  12  -1.629  -2.684  -4.898
  115   HD22  LEU  12          HD22      LEU  12  -0.136  -2.684  -3.959
  116   HD23  LEU  12          HD23      LEU  12  -0.391  -1.467  -5.211
  117    H    THR  13           HN       THR  13   0.782   0.535   0.168
  118    HA   THR  13           HA       THR  13   3.257   1.764  -0.760
  119    HB   THR  13           HB       THR  13   3.027   3.142   1.345
  120    HG1  THR  13           HG1      THR  13   0.376   2.141   1.466
  121   HG21  THR  13          HG21      THR  13   2.243   3.964  -0.817
  122   HG22  THR  13          HG22      THR  13   1.178   4.491   0.483
  123   HG23  THR  13          HG23      THR  13   0.696   3.160  -0.566
  124    H    ASN  14           HN       ASN  14   2.396  -0.908   1.014
  125    HA   ASN  14           HA       ASN  14   4.686  -0.736   2.837
  126    HB2  ASN  14           HB2      ASN  14   2.087  -2.118   2.870
  127    HB3  ASN  14           HB1      ASN  14   3.420  -2.972   3.629
  128   HD21  ASN  14          HD21      ASN  14   1.373  -0.179   3.751
  129   HD22  ASN  14          HD22      ASN  14   1.823   0.316   5.345
  130    H    LYS  15           HN       LYS  15   3.586  -2.392   0.018
  131    HA   LYS  15           HA       LYS  15   5.364  -4.628   0.179
  132    HB2  LYS  15           HB2      LYS  15   4.139  -3.341  -2.266
  133    HB3  LYS  15           HB1      LYS  15   4.873  -4.930  -2.192
  134    HG2  LYS  15           HG2      LYS  15   2.379  -4.050  -0.767
  135    HG3  LYS  15           HG1      LYS  15   2.458  -5.095  -2.186
  136    HD2  LYS  15           HD2      LYS  15   3.684  -5.745   0.493
  137    HD3  LYS  15           HD1      LYS  15   2.112  -6.326  -0.054
  138    HE2  LYS  15           HE2      LYS  15   3.178  -7.475  -1.927
  139    HE3  LYS  15           HE1      LYS  15   4.751  -6.861  -1.417
  140    HZ1  LYS  15           HZ1      LYS  15   4.452  -9.111  -0.669
  141    HZ2  LYS  15           HZ2      LYS  15   3.013  -8.707   0.122
  142    HZ3  LYS  15           HZ3      LYS  15   4.482  -8.077   0.668
  143    H    VAL  16           HN       VAL  16   5.913  -1.459  -0.082
  144    HA   VAL  16           HA       VAL  16   8.120  -1.523  -1.972
  145    HB   VAL  16           HB       VAL  16   7.427   0.883  -0.351
  146   HG11  VAL  16          HG11      VAL  16   9.254   0.987  -1.948
  147   HG12  VAL  16          HG12      VAL  16   7.932   2.044  -2.441
  148   HG13  VAL  16          HG13      VAL  16   8.167   0.492  -3.246
  149   HG21  VAL  16          HG21      VAL  16   5.721  -0.122  -2.630
  150   HG22  VAL  16          HG22      VAL  16   5.574   1.455  -1.856
  151   HG23  VAL  16          HG23      VAL  16   5.233  -0.016  -0.934
  152    HA   PRO  17           HA       PRO  17  10.708  -2.332   1.649
  153    HB2  PRO  17           HB2      PRO  17  13.026  -2.656   0.282
  154    HB3  PRO  17           HB1      PRO  17  11.810  -3.932   0.431
  155    HG2  PRO  17           HG2      PRO  17  12.320  -2.060  -1.847
  156    HG3  PRO  17           HG1      PRO  17  11.932  -3.790  -1.884
  157    HD2  PRO  17           HD2      PRO  17  10.091  -1.859  -2.369
  158    HD3  PRO  17           HD1      PRO  17   9.673  -3.415  -1.624
  159    H    ILE  18           HN       ILE  18  12.398  -1.250   2.703
  160    HA   ILE  18           HA       ILE  18  13.222   0.654   3.580
  161    HB   ILE  18           HB       ILE  18  14.214   0.941   0.759
  162   HG12  ILE  18          HG12      ILE  18  15.453  -0.405   3.164
  163   HG13  ILE  18          HG11      ILE  18  14.761  -1.227   1.770
  164   HG21  ILE  18          HG21      ILE  18  14.483   3.013   2.052
  165   HG22  ILE  18          HG22      ILE  18  16.043   2.259   1.722
  166   HG23  ILE  18          HG23      ILE  18  15.311   2.108   3.319
  167   HD11  ILE  18          HD11      ILE  18  17.190  -1.182   1.671
  168   HD12  ILE  18          HD12      ILE  18  17.166   0.581   1.730
  169   HD13  ILE  18          HD13      ILE  18  16.482  -0.264   0.342
  170    H    LYS  19           HN       LYS  19  11.133   1.558   3.938
  171    HA   LYS  19           HA       LYS  19   9.741   3.062   1.999
  172    HB2  LYS  19           HB2      LYS  19   8.313   3.776   3.864
  173    HB3  LYS  19           HB1      LYS  19   8.593   2.043   3.879
  174    HG2  LYS  19           HG2      LYS  19  10.383   2.446   5.592
  175    HG3  LYS  19           HG1      LYS  19   9.820   4.116   5.675
  176    HD2  LYS  19           HD2      LYS  19   8.162   1.655   6.235
  177    HD3  LYS  19           HD1      LYS  19   8.837   2.741   7.448
  178    HE2  LYS  19           HE2      LYS  19   6.808   3.482   5.344
  179    HE3  LYS  19           HE1      LYS  19   6.467   3.192   7.047
  180    HZ1  LYS  19           HZ1      LYS  19   6.618   5.533   6.633
  181    HZ2  LYS  19           HZ2      LYS  19   8.145   5.370   5.933
  182    HZ3  LYS  19           HZ3      LYS  19   7.937   5.067   7.581
  183    H    ARG  20           HN       ARG  20  12.242   3.897   4.262
  184    HA   ARG  20           HA       ARG  20  11.784   6.738   4.012
  185    HB2  ARG  20           HB2      ARG  20  14.092   5.247   5.266
  186    HB3  ARG  20           HB1      ARG  20  13.814   6.976   5.378
  187    HG2  ARG  20           HG2      ARG  20  11.777   6.610   6.616
  188    HG3  ARG  20           HG1      ARG  20  11.954   4.864   6.443
  189    HD2  ARG  20           HD2      ARG  20  14.048   4.958   7.705
  190    HD3  ARG  20           HD1      ARG  20  13.864   6.703   7.878
  191    HE   ARG  20           HE       ARG  20  11.551   5.607   8.893
  192   HH11  ARG  20          HH11      ARG  20  14.970   5.331   9.585
  193   HH12  ARG  20          HH12      ARG  20  14.738   5.052  11.280
  194   HH21  ARG  20          HH21      ARG  20  11.232   5.225  11.123
  195   HH22  ARG  20          HH22      ARG  20  12.604   4.981  12.156
  196    HA   PRO  21           HA       PRO  21  14.530   7.091   0.459
  197    HB2  PRO  21           HB2      PRO  21  14.491   9.955   0.786
  198    HB3  PRO  21           HB1      PRO  21  13.691   8.983  -0.450
  199    HG2  PRO  21           HG2      PRO  21  12.382  10.382   1.525
  200    HG3  PRO  21           HG1      PRO  21  11.710   8.990   0.659
  201    HD2  PRO  21           HD2      PRO  21  12.906   9.129   3.392
  202    HD3  PRO  21           HD1      PRO  21  11.559   8.145   2.784
  203    H    SER  22           HN       SER  22  15.713   6.492   2.915
  204    HA   SER  22           HA       SER  22  18.271   7.673   2.705
  205    HB2  SER  22           HB2      SER  22  17.036   9.543   3.832
  206    HB3  SER  22           HB1      SER  22  16.686   8.454   5.171
  207    HG   SER  22           HG       SER  22  19.228   9.361   4.289
  Start of MODEL   12
    1    H1   LEU   1           HT1      LEU   1 -13.227   8.954   2.662
    2    H2   LEU   1           HT2      LEU   1 -13.798   8.850   1.073
    3    H3   LEU   1           HT3      LEU   1 -12.496   9.866   1.440
    4    HA   LEU   1           HA       LEU   1 -11.755   7.859   0.346
    5    HB2  LEU   1           HB2      LEU   1 -10.420   9.083   2.119
    6    HB3  LEU   1           HB1      LEU   1 -10.969   7.880   3.264
    7    HG   LEU   1           HG       LEU   1  -8.625   7.608   2.297
    8   HD11  LEU   1          HD11      LEU   1 -10.556   5.310   2.060
    9   HD12  LEU   1          HD12      LEU   1  -9.735   5.836   3.529
   10   HD13  LEU   1          HD13      LEU   1  -8.803   5.177   2.185
   11   HD21  LEU   1          HD21      LEU   1 -10.194   6.646  -0.087
   12   HD22  LEU   1          HD22      LEU   1  -8.452   6.504   0.140
   13   HD23  LEU   1          HD23      LEU   1  -9.193   8.096  -0.027
   14    H    ARG   2           HN       ARG   2 -12.429   5.894  -0.150
   15    HA   ARG   2           HA       ARG   2 -14.226   4.467   1.623
   16    HB2  ARG   2           HB2      ARG   2 -14.466   4.722  -0.930
   17    HB3  ARG   2           HB1      ARG   2 -13.204   3.504  -1.032
   18    HG2  ARG   2           HG2      ARG   2 -15.364   2.471  -1.282
   19    HG3  ARG   2           HG1      ARG   2 -14.621   1.948   0.231
   20    HD2  ARG   2           HD2      ARG   2 -15.966   3.602   1.447
   21    HD3  ARG   2           HD1      ARG   2 -16.721   4.095  -0.065
   22    HE   ARG   2           HE       ARG   2 -17.319   1.516  -0.050
   23   HH11  ARG   2          HH11      ARG   2 -17.443   3.852   2.558
   24   HH12  ARG   2          HH12      ARG   2 -18.779   3.083   3.354
   25   HH21  ARG   2          HH21      ARG   2 -19.077   0.501   0.997
   26   HH22  ARG   2          HH22      ARG   2 -19.703   1.167   2.469
   27    H    LEU   3           HN       LEU   3 -13.877   2.439   2.453
   28    HA   LEU   3           HA       LEU   3 -11.358   1.864   3.412
   29    HB2  LEU   3           HB2      LEU   3 -12.393  -0.491   3.791
   30    HB3  LEU   3           HB1      LEU   3 -12.971   0.895   4.700
   31    HG   LEU   3           HG       LEU   3 -14.813   1.055   2.904
   32   HD11  LEU   3          HD11      LEU   3 -13.761  -0.469   1.294
   33   HD12  LEU   3          HD12      LEU   3 -15.374  -0.999   1.767
   34   HD13  LEU   3          HD13      LEU   3 -13.952  -1.791   2.444
   35   HD21  LEU   3          HD21      LEU   3 -14.696  -1.268   4.806
   36   HD22  LEU   3          HD22      LEU   3 -16.163  -0.637   4.058
   37   HD23  LEU   3          HD23      LEU   3 -15.241   0.368   5.175
   38    H    ILE   4           HN       ILE   4 -12.832   0.799   0.452
   39    HA   ILE   4           HA       ILE   4 -11.119  -1.309  -0.146
   40    HB   ILE   4           HB       ILE   4 -12.390   0.676  -2.038
   41   HG12  ILE   4          HG12      ILE   4 -13.996  -0.633  -0.720
   42   HG13  ILE   4          HG11      ILE   4 -14.047  -1.081  -2.417
   43   HG21  ILE   4          HG21      ILE   4 -11.087  -1.970  -2.662
   44   HG22  ILE   4          HG22      ILE   4 -10.493  -0.374  -3.124
   45   HG23  ILE   4          HG23      ILE   4 -12.001  -0.983  -3.804
   46   HD11  ILE   4          HD11      ILE   4 -14.210  -3.040  -1.027
   47   HD12  ILE   4          HD12      ILE   4 -12.704  -2.621  -0.213
   48   HD13  ILE   4          HD13      ILE   4 -12.689  -3.062  -1.920
   49    H    HIS   5           HN       HIS   5 -10.782   2.157  -0.741
   50    HA   HIS   5           HA       HIS   5  -8.213   1.919  -1.976
   51    HB2  HIS   5           HB2      HIS   5  -9.691   4.309  -0.853
   52    HB3  HIS   5           HB1      HIS   5  -8.135   4.418  -1.664
   53    HD1  HIS   5           HD1      HIS   5  -8.485   5.296  -3.941
   54    HD2  HIS   5           HD2      HIS   5 -11.530   2.705  -2.799
   55    HE1  HIS   5           HE1      HIS   5 -10.018   5.125  -5.928
   56    HE2  HIS   5           HE2      HIS   5 -11.820   3.504  -5.239
   57    H    ALA   6           HN       ALA   6  -9.425   2.233   1.245
   58    HA   ALA   6           HA       ALA   6  -7.048   3.147   2.489
   59    HB1  ALA   6           HB1      ALA   6  -9.315   1.587   3.714
   60    HB2  ALA   6           HB2      ALA   6  -9.282   3.338   3.511
   61    HB3  ALA   6           HB3      ALA   6  -8.114   2.552   4.572
   62    H    VAL   7           HN       VAL   7  -8.440  -0.116   2.049
   63    HA   VAL   7           HA       VAL   7  -6.195  -1.328   3.371
   64    HB   VAL   7           HB       VAL   7  -8.312  -2.462   3.541
   65   HG11  VAL   7          HG11      VAL   7  -9.365  -3.522   1.577
   66   HG12  VAL   7          HG12      VAL   7  -8.212  -2.681   0.542
   67   HG13  VAL   7          HG13      VAL   7  -9.373  -1.760   1.501
   68   HG21  VAL   7          HG21      VAL   7  -6.402  -4.038   1.815
   69   HG22  VAL   7          HG22      VAL   7  -7.673  -4.718   2.834
   70   HG23  VAL   7          HG23      VAL   7  -6.318  -3.861   3.570
   71    H    ARG   8           HN       ARG   8  -7.191  -0.864  -0.001
   72    HA   ARG   8           HA       ARG   8  -5.104  -2.361  -1.159
   73    HB2  ARG   8           HB2      ARG   8  -6.971  -0.259  -2.118
   74    HB3  ARG   8           HB1      ARG   8  -5.516  -0.523  -3.066
   75    HG2  ARG   8           HG2      ARG   8  -7.368  -1.816  -3.945
   76    HG3  ARG   8           HG1      ARG   8  -6.104  -2.877  -3.326
   77    HD2  ARG   8           HD2      ARG   8  -7.374  -3.279  -1.312
   78    HD3  ARG   8           HD1      ARG   8  -8.602  -2.120  -1.818
   79    HE   ARG   8           HE       ARG   8  -8.268  -4.173  -3.753
   80   HH11  ARG   8          HH11      ARG   8  -9.702  -3.528  -0.630
   81   HH12  ARG   8          HH12      ARG   8 -10.940  -4.728  -0.804
   82   HH21  ARG   8          HH21      ARG   8  -9.891  -5.775  -3.980
   83   HH22  ARG   8          HH22      ARG   8 -11.041  -6.014  -2.701
   84    H    GLY   9           HN       GLY   9  -5.384   1.147  -0.654
   85    HA2  GLY   9           HA2      GLY   9  -2.811   1.850  -1.441
   86    HA3  GLY   9           HA1      GLY   9  -3.788   2.753  -0.293
   87    H    TYR  10           HN       TYR  10  -3.969   0.575   1.599
   88    HA   TYR  10           HA       TYR  10  -1.794   1.030   3.237
   89    HB2  TYR  10           HB2      TYR  10  -3.617   0.127   4.345
   90    HB3  TYR  10           HB1      TYR  10  -3.894  -1.097   3.112
   91    HD1  TYR  10           HD1      TYR  10  -3.322  -3.277   3.568
   92    HD2  TYR  10           HD2      TYR  10  -1.358  -0.161   5.706
   93    HE1  TYR  10           HE1      TYR  10  -2.134  -4.956   4.919
   94    HE2  TYR  10           HE2      TYR  10  -0.170  -1.833   7.063
   95    HH   TYR  10           HH       TYR  10  -0.070  -5.129   6.243
   96    H    TRP  11           HN       TRP  11  -2.355  -1.981   1.337
   97    HA   TRP  11           HA       TRP  11   0.289  -2.850   2.009
   98    HB2  TRP  11           HB2      TRP  11  -0.165  -4.834   0.687
   99    HB3  TRP  11           HB1      TRP  11  -1.512  -4.476   1.748
  100    HD1  TRP  11           HD1      TRP  11  -3.836  -3.856   0.638
  101    HE1  TRP  11           HE1      TRP  11  -4.744  -4.182  -1.747
  102    HE3  TRP  11           HE3      TRP  11   0.569  -4.768  -1.784
  103    HZ2  TRP  11           HZ2      TRP  11  -3.720  -4.747  -4.319
  104    HZ3  TRP  11           HZ3      TRP  11   0.518  -5.196  -4.204
  105    HH2  TRP  11           HH2      TRP  11  -1.581  -5.187  -5.442
  106    H    LEU  12           HN       LEU  12  -1.156  -1.200  -0.674
  107    HA   LEU  12           HA       LEU  12   0.845  -1.641  -2.590
  108    HB2  LEU  12           HB2      LEU  12  -1.098   0.618  -2.181
  109    HB3  LEU  12           HB1      LEU  12  -0.011   0.540  -3.553
  110    HG   LEU  12           HG       LEU  12  -1.982  -1.643  -2.905
  111   HD11  LEU  12          HD11      LEU  12  -2.290   0.694  -4.800
  112   HD12  LEU  12          HD12      LEU  12  -3.212   0.421  -3.321
  113   HD13  LEU  12          HD13      LEU  12  -3.385  -0.683  -4.684
  114   HD21  LEU  12          HD21      LEU  12  -0.115  -2.310  -4.313
  115   HD22  LEU  12          HD22      LEU  12  -0.416  -0.949  -5.393
  116   HD23  LEU  12          HD23      LEU  12  -1.602  -2.247  -5.257
  117    H    THR  13           HN       THR  13   0.656   0.619   0.084
  118    HA   THR  13           HA       THR  13   3.154   1.878  -0.740
  119    HB   THR  13           HB       THR  13   2.818   3.236   1.382
  120    HG1  THR  13           HG1      THR  13   0.160   2.224   1.256
  121   HG21  THR  13          HG21      THR  13   0.669   3.333  -0.737
  122   HG22  THR  13          HG22      THR  13   2.252   4.104  -0.829
  123   HG23  THR  13          HG23      THR  13   1.076   4.642   0.371
  124    H    ASN  14           HN       ASN  14   2.046  -0.556   1.469
  125    HA   ASN  14           HA       ASN  14   4.276  -0.202   3.294
  126    HB2  ASN  14           HB2      ASN  14   1.732  -1.685   3.304
  127    HB3  ASN  14           HB1      ASN  14   3.035  -2.354   4.282
  128   HD21  ASN  14          HD21      ASN  14   0.898   0.358   3.822
  129   HD22  ASN  14          HD22      ASN  14   1.159   1.077   5.377
  130    H    LYS  15           HN       LYS  15   3.244  -2.586   0.896
  131    HA   LYS  15           HA       LYS  15   5.117  -4.594   1.660
  132    HB2  LYS  15           HB2      LYS  15   3.800  -4.124  -1.019
  133    HB3  LYS  15           HB1      LYS  15   4.647  -5.581  -0.538
  134    HG2  LYS  15           HG2      LYS  15   2.184  -4.511   0.800
  135    HG3  LYS  15           HG1      LYS  15   2.190  -5.779  -0.425
  136    HD2  LYS  15           HD2      LYS  15   3.808  -6.047   2.088
  137    HD3  LYS  15           HD1      LYS  15   2.094  -6.451   2.067
  138    HE2  LYS  15           HE2      LYS  15   3.276  -8.467   1.691
  139    HE3  LYS  15           HE1      LYS  15   2.583  -7.994   0.148
  140    HZ1  LYS  15           HZ1      LYS  15   5.394  -7.466   0.935
  141    HZ2  LYS  15           HZ2      LYS  15   4.702  -7.228  -0.589
  142    HZ3  LYS  15           HZ3      LYS  15   4.897  -8.790   0.014
  143    H    VAL  16           HN       VAL  16   5.501  -1.632   0.316
  144    HA   VAL  16           HA       VAL  16   7.641  -2.242  -1.527
  145    HB   VAL  16           HB       VAL  16   6.808   0.505  -0.670
  146   HG11  VAL  16          HG11      VAL  16   7.354   1.071  -2.979
  147   HG12  VAL  16          HG12      VAL  16   7.736  -0.618  -3.306
  148   HG13  VAL  16          HG13      VAL  16   8.716   0.302  -2.166
  149   HG21  VAL  16          HG21      VAL  16   5.336  -1.241  -2.637
  150   HG22  VAL  16          HG22      VAL  16   5.006   0.461  -2.313
  151   HG23  VAL  16          HG23      VAL  16   4.742  -0.747  -1.046
  152    HA   PRO  17           HA       PRO  17  10.539  -1.797   1.864
  153    HB2  PRO  17           HB2      PRO  17  12.750  -2.495   0.499
  154    HB3  PRO  17           HB1      PRO  17  11.542  -3.687   0.991
  155    HG2  PRO  17           HG2      PRO  17  11.931  -2.374  -1.674
  156    HG3  PRO  17           HG1      PRO  17  11.594  -4.076  -1.306
  157    HD2  PRO  17           HD2      PRO  17   9.678  -2.312  -2.106
  158    HD3  PRO  17           HD1      PRO  17   9.340  -3.702  -1.056
  159    H    ILE  18           HN       ILE  18  11.758  -0.122   2.563
  160    HA   ILE  18           HA       ILE  18  12.452   1.948   0.602
  161    HB   ILE  18           HB       ILE  18  12.325   2.273   3.603
  162   HG12  ILE  18          HG12      ILE  18  10.234   2.971   1.523
  163   HG13  ILE  18          HG11      ILE  18  10.105   1.668   2.699
  164   HG21  ILE  18          HG21      ILE  18  12.391   4.278   1.347
  165   HG22  ILE  18          HG22      ILE  18  13.719   3.904   2.445
  166   HG23  ILE  18          HG23      ILE  18  12.255   4.668   3.062
  167   HD11  ILE  18          HD11      ILE  18  10.121   3.296   4.511
  168   HD12  ILE  18          HD12      ILE  18   8.810   3.610   3.373
  169   HD13  ILE  18          HD13      ILE  18  10.267   4.605   3.339
  170    H    LYS  19           HN       LYS  19  14.253   0.468   0.054
  171    HA   LYS  19           HA       LYS  19  16.446   0.463   1.979
  172    HB2  LYS  19           HB2      LYS  19  16.191  -0.779  -0.765
  173    HB3  LYS  19           HB1      LYS  19  17.632  -0.883   0.236
  174    HG2  LYS  19           HG2      LYS  19  14.911  -1.983   0.917
  175    HG3  LYS  19           HG1      LYS  19  16.321  -2.912   0.404
  176    HD2  LYS  19           HD2      LYS  19  17.532  -2.120   2.405
  177    HD3  LYS  19           HD1      LYS  19  16.075  -1.278   2.929
  178    HE2  LYS  19           HE2      LYS  19  16.236  -3.374   4.096
  179    HE3  LYS  19           HE1      LYS  19  14.885  -3.446   2.966
  180    HZ1  LYS  19           HZ1      LYS  19  16.235  -5.470   2.948
  181    HZ2  LYS  19           HZ2      LYS  19  17.586  -4.576   2.466
  182    HZ3  LYS  19           HZ3      LYS  19  16.247  -4.700   1.442
  183    H    ARG  20           HN       ARG  20  15.414   1.974  -0.966
  184    HA   ARG  20           HA       ARG  20  17.897   3.365  -1.403
  185    HB2  ARG  20           HB2      ARG  20  15.135   3.877  -2.523
  186    HB3  ARG  20           HB1      ARG  20  16.608   4.654  -3.074
  187    HG2  ARG  20           HG2      ARG  20  17.477   2.520  -3.832
  188    HG3  ARG  20           HG1      ARG  20  16.035   1.703  -3.229
  189    HD2  ARG  20           HD2      ARG  20  14.655   3.013  -4.770
  190    HD3  ARG  20           HD1      ARG  20  16.100   3.817  -5.377
  191    HE   ARG  20           HE       ARG  20  16.526   1.101  -5.687
  192   HH11  ARG  20          HH11      ARG  20  14.271   3.504  -6.854
  193   HH12  ARG  20          HH12      ARG  20  13.980   2.691  -8.357
  194   HH21  ARG  20          HH21      ARG  20  16.143   0.019  -7.671
  195   HH22  ARG  20          HH22      ARG  20  15.046   0.708  -8.824
  196    HA   PRO  21           HA       PRO  21  17.366   6.349   1.883
  197    HB2  PRO  21           HB2      PRO  21  18.954   7.949  -0.081
  198    HB3  PRO  21           HB1      PRO  21  19.211   7.723   1.653
  199    HG2  PRO  21           HG2      PRO  21  20.705   6.421  -0.121
  200    HG3  PRO  21           HG1      PRO  21  20.171   5.636   1.376
  201    HD2  PRO  21           HD2      PRO  21  19.209   5.248  -1.412
  202    HD3  PRO  21           HD1      PRO  21  19.295   4.090  -0.071
  203    H    SER  22           HN       SER  22  15.267   6.991   1.825
  204    HA   SER  22           HA       SER  22  14.199   8.465  -0.412
  205    HB2  SER  22           HB2      SER  22  12.118   8.481   1.078
  206    HB3  SER  22           HB1      SER  22  12.700   6.900   0.557
  207    HG   SER  22           HG       SER  22  13.377   8.111   3.033
  Start of MODEL   13
    1    H1   LEU   1           HT1      LEU   1 -13.544   8.286   4.135
    2    H2   LEU   1           HT2      LEU   1 -12.733   6.987   3.426
    3    H3   LEU   1           HT3      LEU   1 -14.184   6.726   4.248
    4    HA   LEU   1           HA       LEU   1 -15.396   7.986   2.627
    5    HB2  LEU   1           HB2      LEU   1 -13.453   9.487   2.100
    6    HB3  LEU   1           HB1      LEU   1 -12.756   8.183   1.167
    7    HG   LEU   1           HG       LEU   1 -13.971  10.042  -0.104
    8   HD11  LEU   1          HD11      LEU   1 -14.898   8.491  -1.756
    9   HD12  LEU   1          HD12      LEU   1 -14.776   7.179  -0.586
   10   HD13  LEU   1          HD13      LEU   1 -13.316   7.968  -1.178
   11   HD21  LEU   1          HD21      LEU   1 -15.931  10.185   1.332
   12   HD22  LEU   1          HD22      LEU   1 -16.375   8.533   0.906
   13   HD23  LEU   1          HD23      LEU   1 -16.385   9.793  -0.325
   14    H    ARG   2           HN       ARG   2 -12.629   5.915   1.723
   15    HA   ARG   2           HA       ARG   2 -14.546   3.937   0.728
   16    HB2  ARG   2           HB2      ARG   2 -13.656   5.354  -1.168
   17    HB3  ARG   2           HB1      ARG   2 -12.061   4.716  -0.785
   18    HG2  ARG   2           HG2      ARG   2 -12.980   3.481  -2.619
   19    HG3  ARG   2           HG1      ARG   2 -12.902   2.440  -1.196
   20    HD2  ARG   2           HD2      ARG   2 -15.008   2.136  -2.373
   21    HD3  ARG   2           HD1      ARG   2 -15.278   2.835  -0.779
   22    HE   ARG   2           HE       ARG   2 -15.066   4.782  -2.891
   23   HH11  ARG   2          HH11      ARG   2 -17.235   2.653  -1.149
   24   HH12  ARG   2          HH12      ARG   2 -18.650   3.581  -1.532
   25   HH21  ARG   2          HH21      ARG   2 -16.928   5.996  -3.396
   26   HH22  ARG   2          HH22      ARG   2 -18.476   5.479  -2.811
   27    H    LEU   3           HN       LEU   3 -14.147   2.223   1.972
   28    HA   LEU   3           HA       LEU   3 -11.731   1.706   3.259
   29    HB2  LEU   3           HB2      LEU   3 -12.667  -0.698   3.370
   30    HB3  LEU   3           HB1      LEU   3 -13.471   0.587   4.251
   31    HG   LEU   3           HG       LEU   3 -15.022   0.716   2.170
   32   HD11  LEU   3          HD11      LEU   3 -13.931  -2.071   1.843
   33   HD12  LEU   3          HD12      LEU   3 -13.674  -0.731   0.729
   34   HD13  LEU   3          HD13      LEU   3 -15.296  -1.373   0.974
   35   HD21  LEU   3          HD21      LEU   3 -15.754  -0.007   4.348
   36   HD22  LEU   3          HD22      LEU   3 -15.069  -1.607   4.074
   37   HD23  LEU   3          HD23      LEU   3 -16.438  -1.056   3.108
   38    H    ILE   4           HN       ILE   4 -12.820   0.829   0.085
   39    HA   ILE   4           HA       ILE   4 -11.027  -1.209  -0.464
   40    HB   ILE   4           HB       ILE   4 -12.048   0.897  -2.377
   41   HG12  ILE   4          HG12      ILE   4 -13.852  -0.363  -1.317
   42   HG13  ILE   4          HG11      ILE   4 -13.704  -0.806  -3.011
   43   HG21  ILE   4          HG21      ILE   4 -10.811  -1.786  -2.974
   44   HG22  ILE   4          HG22      ILE   4 -10.073  -0.213  -3.272
   45   HG23  ILE   4          HG23      ILE   4 -11.521  -0.690  -4.160
   46   HD11  ILE   4          HD11      ILE   4 -14.112  -2.755  -1.643
   47   HD12  ILE   4          HD12      ILE   4 -12.685  -2.397  -0.674
   48   HD13  ILE   4          HD13      ILE   4 -12.510  -2.838  -2.373
   49    H    HIS   5           HN       HIS   5 -10.635   2.283  -0.998
   50    HA   HIS   5           HA       HIS   5  -7.924   2.009  -1.855
   51    HB2  HIS   5           HB2      HIS   5  -9.578   4.403  -1.074
   52    HB3  HIS   5           HB1      HIS   5  -7.885   4.538  -1.530
   53    HD1  HIS   5           HD1      HIS   5  -7.603   5.146  -3.899
   54    HD2  HIS   5           HD2      HIS   5 -11.062   2.931  -3.285
   55    HE1  HIS   5           HE1      HIS   5  -8.706   4.980  -6.144
   56    HE2  HIS   5           HE2      HIS   5 -10.884   3.791  -5.714
   57    H    ALA   6           HN       ALA   6  -9.475   2.167   1.190
   58    HA   ALA   6           HA       ALA   6  -7.261   3.181   2.677
   59    HB1  ALA   6           HB1      ALA   6  -9.566   3.300   3.511
   60    HB2  ALA   6           HB2      ALA   6  -8.496   2.470   4.641
   61    HB3  ALA   6           HB3      ALA   6  -9.603   1.540   3.631
   62    H    VAL   7           HN       VAL   7  -8.552  -0.099   2.071
   63    HA   VAL   7           HA       VAL   7  -6.348  -1.271   3.511
   64    HB   VAL   7           HB       VAL   7  -8.478  -2.406   3.616
   65   HG11  VAL   7          HG11      VAL   7  -8.217  -2.768   0.640
   66   HG12  VAL   7          HG12      VAL   7  -9.421  -1.791   1.482
   67   HG13  VAL   7          HG13      VAL   7  -9.428  -3.547   1.657
   68   HG21  VAL   7          HG21      VAL   7  -6.516  -3.785   3.853
   69   HG22  VAL   7          HG22      VAL   7  -6.395  -3.980   2.105
   70   HG23  VAL   7          HG23      VAL   7  -7.757  -4.684   2.978
   71    H    ARG   8           HN       ARG   8  -7.247  -0.892   0.091
   72    HA   ARG   8           HA       ARG   8  -5.107  -2.358  -0.988
   73    HB2  ARG   8           HB2      ARG   8  -6.904  -0.228  -2.009
   74    HB3  ARG   8           HB1      ARG   8  -5.406  -0.486  -2.887
   75    HG2  ARG   8           HG2      ARG   8  -7.181  -1.752  -3.905
   76    HG3  ARG   8           HG1      ARG   8  -6.009  -2.852  -3.180
   77    HD2  ARG   8           HD2      ARG   8  -7.446  -3.274  -1.327
   78    HD3  ARG   8           HD1      ARG   8  -8.550  -1.991  -1.815
   79    HE   ARG   8           HE       ARG   8  -8.347  -3.886  -3.891
   80   HH11  ARG   8          HH11      ARG   8  -9.610  -3.596  -0.655
   81   HH12  ARG   8          HH12      ARG   8 -10.944  -4.665  -0.926
   82   HH21  ARG   8          HH21      ARG   8 -10.098  -5.320  -4.268
   83   HH22  ARG   8          HH22      ARG   8 -11.227  -5.646  -2.992
   84    H    GLY   9           HN       GLY   9  -5.384   1.153  -0.525
   85    HA2  GLY   9           HA2      GLY   9  -2.793   1.848  -1.221
   86    HA3  GLY   9           HA1      GLY   9  -3.811   2.765  -0.119
   87    H    TYR  10           HN       TYR  10  -3.994   0.488   1.751
   88    HA   TYR  10           HA       TYR  10  -1.830   1.033   3.425
   89    HB2  TYR  10           HB2      TYR  10  -3.657   0.165   4.550
   90    HB3  TYR  10           HB1      TYR  10  -3.947  -1.078   3.341
   91    HD1  TYR  10           HD1      TYR  10  -3.687  -3.205   4.121
   92    HD2  TYR  10           HD2      TYR  10  -1.121  -0.170   5.646
   93    HE1  TYR  10           HE1      TYR  10  -2.557  -4.872   5.526
   94    HE2  TYR  10           HE2      TYR  10   0.014  -1.835   7.058
   95    HH   TYR  10           HH       TYR  10  -0.487  -5.218   6.659
   96    H    TRP  11           HN       TRP  11  -2.418  -2.023   1.603
   97    HA   TRP  11           HA       TRP  11   0.234  -2.871   2.278
   98    HB2  TRP  11           HB2      TRP  11  -0.249  -4.907   1.004
   99    HB3  TRP  11           HB1      TRP  11  -1.518  -4.527   2.149
  100    HD1  TRP  11           HD1      TRP  11  -3.904  -3.843   1.177
  101    HE1  TRP  11           HE1      TRP  11  -5.008  -4.317  -1.094
  102    HE3  TRP  11           HE3      TRP  11   0.268  -5.078  -1.494
  103    HZ2  TRP  11           HZ2      TRP  11  -4.211  -5.110  -3.683
  104    HZ3  TRP  11           HZ3      TRP  11   0.010  -5.691  -3.864
  105    HH2  TRP  11           HH2      TRP  11  -2.183  -5.706  -4.935
  106    H    LEU  12           HN       LEU  12  -1.216  -1.327  -0.458
  107    HA   LEU  12           HA       LEU  12   0.749  -1.883  -2.380
  108    HB2  LEU  12           HB2      LEU  12  -1.110   0.466  -2.070
  109    HB3  LEU  12           HB1      LEU  12  -0.107   0.200  -3.479
  110    HG   LEU  12           HG       LEU  12  -2.199  -1.753  -2.516
  111   HD11  LEU  12          HD11      LEU  12  -2.350   0.307  -4.723
  112   HD12  LEU  12          HD12      LEU  12  -3.243   0.350  -3.203
  113   HD13  LEU  12          HD13      LEU  12  -3.563  -0.925  -4.379
  114   HD21  LEU  12          HD21      LEU  12  -1.931  -2.695  -4.771
  115   HD22  LEU  12          HD22      LEU  12  -0.438  -2.772  -3.837
  116   HD23  LEU  12          HD23      LEU  12  -0.632  -1.545  -5.088
  117    H    THR  13           HN       THR  13   0.637   0.581   0.147
  118    HA   THR  13           HA       THR  13   2.934   1.966  -0.968
  119    HB   THR  13           HB       THR  13   2.713   3.420   1.069
  120    HG1  THR  13           HG1      THR  13   0.188   2.232   1.507
  121   HG21  THR  13          HG21      THR  13   0.237   3.072  -0.620
  122   HG22  THR  13          HG22      THR  13   1.654   4.035  -1.042
  123   HG23  THR  13          HG23      THR  13   0.645   4.504   0.325
  124    H    ASN  14           HN       ASN  14   2.469  -0.676   1.011
  125    HA   ASN  14           HA       ASN  14   4.788  -0.146   2.705
  126    HB2  ASN  14           HB2      ASN  14   2.452  -1.948   2.809
  127    HB3  ASN  14           HB1      ASN  14   3.922  -2.507   3.604
  128   HD21  ASN  14          HD21      ASN  14   1.430  -0.059   3.565
  129   HD22  ASN  14          HD22      ASN  14   1.759   0.577   5.141
  130    H    LYS  15           HN       LYS  15   3.875  -1.997  -0.050
  131    HA   LYS  15           HA       LYS  15   6.021  -3.899   0.077
  132    HB2  LYS  15           HB2      LYS  15   4.439  -2.942  -2.315
  133    HB3  LYS  15           HB1      LYS  15   5.443  -4.380  -2.246
  134    HG2  LYS  15           HG2      LYS  15   2.953  -3.890  -0.638
  135    HG3  LYS  15           HG1      LYS  15   3.078  -4.919  -2.065
  136    HD2  LYS  15           HD2      LYS  15   4.699  -6.340  -0.882
  137    HD3  LYS  15           HD1      LYS  15   4.531  -5.320   0.549
  138    HE2  LYS  15           HE2      LYS  15   3.169  -7.336   0.733
  139    HE3  LYS  15           HE1      LYS  15   2.165  -5.888   0.688
  140    HZ1  LYS  15           HZ1      LYS  15   2.684  -7.736  -1.577
  141    HZ2  LYS  15           HZ2      LYS  15   1.783  -6.315  -1.683
  142    HZ3  LYS  15           HZ3      LYS  15   1.237  -7.590  -0.717
  143    H    VAL  16           HN       VAL  16   5.840  -0.670  -0.439
  144    HA   VAL  16           HA       VAL  16   7.890  -0.397  -2.457
  145    HB   VAL  16           HB       VAL  16   6.831   1.871  -0.821
  146   HG11  VAL  16          HG11      VAL  16   7.576   1.592  -3.729
  147   HG12  VAL  16          HG12      VAL  16   8.558   2.329  -2.464
  148   HG13  VAL  16          HG13      VAL  16   7.035   3.075  -2.944
  149   HG21  VAL  16          HG21      VAL  16   5.319   0.506  -3.047
  150   HG22  VAL  16          HG22      VAL  16   4.873   2.034  -2.291
  151   HG23  VAL  16          HG23      VAL  16   4.856   0.541  -1.340
  152    HA   PRO  17           HA       PRO  17  10.980  -0.298   0.840
  153    HB2  PRO  17           HB2      PRO  17  12.944  -0.182  -1.292
  154    HB3  PRO  17           HB1      PRO  17  12.646  -1.481  -0.136
  155    HG2  PRO  17           HG2      PRO  17  12.099  -1.690  -2.797
  156    HG3  PRO  17           HG1      PRO  17  11.222  -2.585  -1.544
  157    HD2  PRO  17           HD2      PRO  17  10.421  -0.110  -3.023
  158    HD3  PRO  17           HD1      PRO  17   9.435  -1.505  -2.539
  159    H    ILE  18           HN       ILE  18  12.718   1.171   1.390
  160    HA   ILE  18           HA       ILE  18  13.576   3.212   1.760
  161    HB   ILE  18           HB       ILE  18  13.098   3.488  -1.189
  162   HG12  ILE  18          HG12      ILE  18  15.607   2.729   0.314
  163   HG13  ILE  18          HG11      ILE  18  14.542   1.590  -0.503
  164   HG21  ILE  18          HG21      ILE  18  13.407   5.686  -0.187
  165   HG22  ILE  18          HG22      ILE  18  14.830   5.245  -1.131
  166   HG23  ILE  18          HG23      ILE  18  14.868   5.127   0.628
  167   HD11  ILE  18          HD11      ILE  18  15.037   2.652  -2.638
  168   HD12  ILE  18          HD12      ILE  18  16.508   2.093  -1.840
  169   HD13  ILE  18          HD13      ILE  18  16.090   3.806  -1.822
  170    H    LYS  19           HN       LYS  19  11.784   3.773   3.084
  171    HA   LYS  19           HA       LYS  19   9.550   5.226   2.138
  172    HB2  LYS  19           HB2      LYS  19   9.714   4.021   4.331
  173    HB3  LYS  19           HB1      LYS  19  10.801   5.285   4.888
  174    HG2  LYS  19           HG2      LYS  19   9.079   6.932   4.696
  175    HG3  LYS  19           HG1      LYS  19   8.007   5.761   3.936
  176    HD2  LYS  19           HD2      LYS  19   9.080   5.535   6.745
  177    HD3  LYS  19           HD1      LYS  19   7.485   6.162   6.330
  178    HE2  LYS  19           HE2      LYS  19   6.907   4.013   5.314
  179    HE3  LYS  19           HE1      LYS  19   8.500   3.387   5.725
  180    HZ1  LYS  19           HZ1      LYS  19   6.826   2.687   7.314
  181    HZ2  LYS  19           HZ2      LYS  19   6.459   4.297   7.678
  182    HZ3  LYS  19           HZ3      LYS  19   7.982   3.671   8.060
  183    H    ARG  20           HN       ARG  20  12.794   6.008   2.984
  184    HA   ARG  20           HA       ARG  20  12.676   8.758   3.390
  185    HB2  ARG  20           HB2      ARG  20  14.852   7.181   2.004
  186    HB3  ARG  20           HB1      ARG  20  15.028   8.789   2.685
  187    HG2  ARG  20           HG2      ARG  20  14.400   6.300   4.246
  188    HG3  ARG  20           HG1      ARG  20  15.983   7.059   4.113
  189    HD2  ARG  20           HD2      ARG  20  15.103   9.083   5.164
  190    HD3  ARG  20           HD1      ARG  20  13.517   8.325   5.293
  191    HE   ARG  20           HE       ARG  20  15.039   6.568   6.597
  192   HH11  ARG  20          HH11      ARG  20  14.909  10.061   6.817
  193   HH12  ARG  20          HH12      ARG  20  15.356  10.098   8.491
  194   HH21  ARG  20          HH21      ARG  20  15.618   6.618   8.804
  195   HH22  ARG  20          HH22      ARG  20  15.761   8.141   9.621
  196    HA   PRO  21           HA       PRO  21  11.798  10.296  -0.687
  197    HB2  PRO  21           HB2      PRO  21  12.928  12.837  -0.296
  198    HB3  PRO  21           HB1      PRO  21  11.264  12.366   0.037
  199    HG2  PRO  21           HG2      PRO  21  13.280  13.065   1.911
  200    HG3  PRO  21           HG1      PRO  21  11.640  12.499   2.248
  201    HD2  PRO  21           HD2      PRO  21  14.186  11.038   2.384
  202    HD3  PRO  21           HD1      PRO  21  12.621  10.665   3.129
  203    H    SER  22           HN       SER  22  13.850   8.682  -0.966
  204    HA   SER  22           HA       SER  22  15.701   8.171  -2.153
  205    HB2  SER  22           HB2      SER  22  14.461   9.385  -3.945
  206    HB3  SER  22           HB1      SER  22  15.293  10.865  -3.476
  207    HG   SER  22           HG       SER  22  16.235   8.639  -4.848
  Start of MODEL   14
    1    H1   LEU   1           HT1      LEU   1 -16.828   7.579   2.183
    2    H2   LEU   1           HT2      LEU   1 -16.057   7.950   0.727
    3    H3   LEU   1           HT3      LEU   1 -15.855   8.958   2.066
    4    HA   LEU   1           HA       LEU   1 -13.910   7.597   1.718
    5    HB2  LEU   1           HB2      LEU   1 -15.552   6.882   4.146
    6    HB3  LEU   1           HB1      LEU   1 -13.847   6.521   3.973
    7    HG   LEU   1           HG       LEU   1 -15.049   9.289   4.028
    8   HD11  LEU   1          HD11      LEU   1 -15.137   8.170   6.189
    9   HD12  LEU   1          HD12      LEU   1 -13.949   9.473   6.197
   10   HD13  LEU   1          HD13      LEU   1 -13.419   7.796   6.073
   11   HD21  LEU   1          HD21      LEU   1 -12.174   8.380   3.922
   12   HD22  LEU   1          HD22      LEU   1 -12.715  10.042   4.141
   13   HD23  LEU   1          HD23      LEU   1 -13.055   9.199   2.632
   14    H    ARG   2           HN       ARG   2 -13.138   5.792   0.858
   15    HA   ARG   2           HA       ARG   2 -14.912   3.441   0.737
   16    HB2  ARG   2           HB2      ARG   2 -14.335   4.647  -1.441
   17    HB3  ARG   2           HB1      ARG   2 -12.689   4.080  -1.194
   18    HG2  ARG   2           HG2      ARG   2 -13.603   2.496  -2.617
   19    HG3  ARG   2           HG1      ARG   2 -13.722   1.747  -1.018
   20    HD2  ARG   2           HD2      ARG   2 -15.795   1.432  -2.242
   21    HD3  ARG   2           HD1      ARG   2 -16.061   2.504  -0.868
   22    HE   ARG   2           HE       ARG   2 -15.525   3.759  -3.442
   23   HH11  ARG   2          HH11      ARG   2 -17.891   2.794  -1.046
   24   HH12  ARG   2          HH12      ARG   2 -19.117   3.871  -1.634
   25   HH21  ARG   2          HH21      ARG   2 -17.142   5.167  -4.228
   26   HH22  ARG   2          HH22      ARG   2 -18.693   5.217  -3.453
   27    H    LEU   3           HN       LEU   3 -14.203   1.954   2.158
   28    HA   LEU   3           HA       LEU   3 -11.606   1.949   3.212
   29    HB2  LEU   3           HB2      LEU   3 -12.240  -0.431   3.956
   30    HB3  LEU   3           HB1      LEU   3 -13.098   0.939   4.641
   31    HG   LEU   3           HG       LEU   3 -14.858   0.450   2.801
   32   HD11  LEU   3          HD11      LEU   3 -13.504  -2.236   2.933
   33   HD12  LEU   3          HD12      LEU   3 -13.454  -1.145   1.551
   34   HD13  LEU   3          HD13      LEU   3 -14.988  -1.841   2.068
   35   HD21  LEU   3          HD21      LEU   3 -15.265   0.156   5.153
   36   HD22  LEU   3          HD22      LEU   3 -14.421  -1.392   5.131
   37   HD23  LEU   3          HD23      LEU   3 -15.939  -1.203   4.254
   38    H    ILE   4           HN       ILE   4 -12.952   0.375   0.440
   39    HA   ILE   4           HA       ILE   4 -10.988  -1.548   0.047
   40    HB   ILE   4           HB       ILE   4 -12.500   0.010  -2.059
   41   HG12  ILE   4          HG12      ILE   4 -13.949  -1.240  -0.521
   42   HG13  ILE   4          HG11      ILE   4 -13.971  -1.946  -2.128
   43   HG21  ILE   4          HG21      ILE   4 -11.952  -1.814  -3.584
   44   HG22  ILE   4          HG22      ILE   4 -10.980  -2.581  -2.328
   45   HG23  ILE   4          HG23      ILE   4 -10.493  -1.021  -2.992
   46   HD11  ILE   4          HD11      ILE   4 -12.425  -3.685  -1.378
   47   HD12  ILE   4          HD12      ILE   4 -13.918  -3.669  -0.439
   48   HD13  ILE   4          HD13      ILE   4 -12.441  -2.987   0.241
   49    H    HIS   5           HN       HIS   5 -11.046   1.875  -0.855
   50    HA   HIS   5           HA       HIS   5  -8.517   1.815  -2.182
   51    HB2  HIS   5           HB2      HIS   5 -10.256   4.048  -1.158
   52    HB3  HIS   5           HB1      HIS   5  -8.649   4.366  -1.794
   53    HD1  HIS   5           HD1      HIS   5  -8.814   5.177  -4.112
   54    HD2  HIS   5           HD2      HIS   5 -11.693   2.298  -3.280
   55    HE1  HIS   5           HE1      HIS   5 -10.112   4.882  -6.241
   56    HE2  HIS   5           HE2      HIS   5 -11.743   3.024  -5.758
   57    H    ALA   6           HN       ALA   6  -9.587   2.291   1.097
   58    HA   ALA   6           HA       ALA   6  -7.169   3.376   2.114
   59    HB1  ALA   6           HB1      ALA   6  -9.349   1.882   3.567
   60    HB2  ALA   6           HB2      ALA   6  -9.305   3.622   3.279
   61    HB3  ALA   6           HB3      ALA   6  -8.092   2.867   4.313
   62    H    VAL   7           HN       VAL   7  -8.529   0.068   2.181
   63    HA   VAL   7           HA       VAL   7  -6.244  -1.046   3.437
   64    HB   VAL   7           HB       VAL   7  -8.376  -2.185   3.592
   65   HG11  VAL   7          HG11      VAL   7  -9.325  -1.616   1.447
   66   HG12  VAL   7          HG12      VAL   7  -9.343  -3.368   1.671
   67   HG13  VAL   7          HG13      VAL   7  -8.133  -2.625   0.626
   68   HG21  VAL   7          HG21      VAL   7  -6.344  -3.822   2.076
   69   HG22  VAL   7          HG22      VAL   7  -7.665  -4.470   3.051
   70   HG23  VAL   7          HG23      VAL   7  -6.376  -3.544   3.819
   71    H    ARG   8           HN       ARG   8  -7.165  -0.649   0.039
   72    HA   ARG   8           HA       ARG   8  -5.052  -2.106  -1.076
   73    HB2  ARG   8           HB2      ARG   8  -6.944  -0.062  -2.013
   74    HB3  ARG   8           HB1      ARG   8  -5.418  -0.099  -2.887
   75    HG2  ARG   8           HG2      ARG   8  -7.065  -1.493  -3.984
   76    HG3  ARG   8           HG1      ARG   8  -5.741  -2.467  -3.351
   77    HD2  ARG   8           HD2      ARG   8  -7.112  -3.058  -1.408
   78    HD3  ARG   8           HD1      ARG   8  -8.442  -2.108  -2.068
   79    HE   ARG   8           HE       ARG   8  -7.757  -3.905  -4.039
   80   HH11  ARG   8          HH11      ARG   8  -8.884  -4.082  -0.729
   81   HH12  ARG   8          HH12      ARG   8  -9.677  -5.609  -0.942
   82   HH21  ARG   8          HH21      ARG   8  -8.809  -5.915  -4.323
   83   HH22  ARG   8          HH22      ARG   8  -9.641  -6.644  -2.985
   84    H    GLY   9           HN       GLY   9  -5.291   1.385  -0.445
   85    HA2  GLY   9           HA2      GLY   9  -2.688   2.085  -1.139
   86    HA3  GLY   9           HA1      GLY   9  -3.674   2.947   0.032
   87    H    TYR  10           HN       TYR  10  -3.929   0.642   1.783
   88    HA   TYR  10           HA       TYR  10  -1.774   0.995   3.495
   89    HB2  TYR  10           HB2      TYR  10  -3.710   0.114   4.468
   90    HB3  TYR  10           HB1      TYR  10  -3.876  -1.133   3.240
   91    HD1  TYR  10           HD1      TYR  10  -1.390  -0.103   5.847
   92    HD2  TYR  10           HD2      TYR  10  -3.435  -3.281   3.895
   93    HE1  TYR  10           HE1      TYR  10  -0.283  -1.714   7.329
   94    HE2  TYR  10           HE2      TYR  10  -2.325  -4.905   5.373
   95    HH   TYR  10           HH       TYR  10  -0.697  -4.018   8.184
   96    H    TRP  11           HN       TRP  11  -2.381  -1.882   1.414
   97    HA   TRP  11           HA       TRP  11   0.235  -2.862   2.088
   98    HB2  TRP  11           HB2      TRP  11  -0.260  -4.767   0.641
   99    HB3  TRP  11           HB1      TRP  11  -1.557  -4.460   1.777
  100    HD1  TRP  11           HD1      TRP  11  -3.886  -3.602   0.786
  101    HE1  TRP  11           HE1      TRP  11  -4.917  -3.855  -1.553
  102    HE3  TRP  11           HE3      TRP  11   0.333  -4.791  -1.836
  103    HZ2  TRP  11           HZ2      TRP  11  -4.058  -4.474  -4.171
  104    HZ3  TRP  11           HZ3      TRP  11   0.143  -5.209  -4.252
  105    HH2  TRP  11           HH2      TRP  11  -2.009  -5.053  -5.395
  106    H    LEU  12           HN       LEU  12  -1.181  -1.159  -0.605
  107    HA   LEU  12           HA       LEU  12   0.811  -1.624  -2.512
  108    HB2  LEU  12           HB2      LEU  12  -1.047   0.701  -2.083
  109    HB3  LEU  12           HB1      LEU  12   0.023   0.582  -3.465
  110    HG   LEU  12           HG       LEU  12  -2.027  -1.518  -2.791
  111   HD11  LEU  12          HD11      LEU  12  -3.131   0.635  -3.231
  112   HD12  LEU  12          HD12      LEU  12  -3.423  -0.526  -4.523
  113   HD13  LEU  12          HD13      LEU  12  -2.250   0.770  -4.752
  114   HD21  LEU  12          HD21      LEU  12  -0.208  -2.292  -4.194
  115   HD22  LEU  12          HD22      LEU  12  -0.422  -0.919  -5.278
  116   HD23  LEU  12          HD23      LEU  12  -1.683  -2.147  -5.151
  117    H    THR  13           HN       THR  13   0.765   0.524   0.233
  118    HA   THR  13           HA       THR  13   3.174   1.888  -0.667
  119    HB   THR  13           HB       THR  13   2.957   3.101   1.546
  120    HG1  THR  13           HG1      THR  13   0.309   2.118   1.636
  121   HG21  THR  13          HG21      THR  13   1.055   4.464   0.787
  122   HG22  THR  13          HG22      THR  13   0.628   3.204  -0.371
  123   HG23  THR  13          HG23      THR  13   2.152   4.074  -0.536
  124    H    ASN  14           HN       ASN  14   2.373  -0.863   1.165
  125    HA   ASN  14           HA       ASN  14   4.770  -0.651   2.840
  126    HB2  ASN  14           HB2      ASN  14   2.197  -2.091   3.074
  127    HB3  ASN  14           HB1      ASN  14   3.605  -2.817   3.844
  128   HD21  ASN  14          HD21      ASN  14   1.343  -0.204   3.894
  129   HD22  ASN  14          HD22      ASN  14   1.853   0.478   5.403
  130    H    LYS  15           HN       LYS  15   3.405  -2.621   0.286
  131    HA   LYS  15           HA       LYS  15   5.222  -4.801   0.526
  132    HB2  LYS  15           HB2      LYS  15   3.787  -3.788  -1.934
  133    HB3  LYS  15           HB1      LYS  15   4.563  -5.352  -1.771
  134    HG2  LYS  15           HG2      LYS  15   2.192  -4.372  -0.216
  135    HG3  LYS  15           HG1      LYS  15   2.162  -5.539  -1.540
  136    HD2  LYS  15           HD2      LYS  15   3.638  -7.021  -0.187
  137    HD3  LYS  15           HD1      LYS  15   3.477  -5.886   1.152
  138    HE2  LYS  15           HE2      LYS  15   1.924  -7.698   1.458
  139    HE3  LYS  15           HE1      LYS  15   1.033  -6.223   1.095
  140    HZ1  LYS  15           HZ1      LYS  15   1.659  -8.390  -0.835
  141    HZ2  LYS  15           HZ2      LYS  15   0.805  -6.976  -1.195
  142    HZ3  LYS  15           HZ3      LYS  15   0.152  -8.106  -0.121
  143    H    VAL  16           HN       VAL  16   5.646  -1.660  -0.275
  144    HA   VAL  16           HA       VAL  16   7.617  -1.874  -2.348
  145    HB   VAL  16           HB       VAL  16   7.141   0.541  -0.629
  146   HG11  VAL  16          HG11      VAL  16   7.799   0.214  -3.550
  147   HG12  VAL  16          HG12      VAL  16   8.924   0.672  -2.274
  148   HG13  VAL  16          HG13      VAL  16   7.596   1.748  -2.706
  149   HG21  VAL  16          HG21      VAL  16   5.248   1.158  -2.035
  150   HG22  VAL  16          HG22      VAL  16   4.933  -0.362  -1.187
  151   HG23  VAL  16          HG23      VAL  16   5.378  -0.373  -2.898
  152    HA   PRO  17           HA       PRO  17  10.794  -2.420   0.821
  153    HB2  PRO  17           HB2      PRO  17  12.702  -3.389  -0.818
  154    HB3  PRO  17           HB1      PRO  17  11.365  -4.392  -0.241
  155    HG2  PRO  17           HG2      PRO  17  11.761  -3.099  -2.897
  156    HG3  PRO  17           HG1      PRO  17  11.028  -4.665  -2.507
  157    HD2  PRO  17           HD2      PRO  17   9.629  -2.332  -3.077
  158    HD3  PRO  17           HD1      PRO  17   8.966  -3.742  -2.230
  159    H    ILE  18           HN       ILE  18  11.750  -0.606   1.471
  160    HA   ILE  18           HA       ILE  18  13.194   1.024  -0.506
  161    HB   ILE  18           HB       ILE  18  11.574   2.135   1.798
  162   HG12  ILE  18          HG12      ILE  18  10.962   2.136  -1.169
  163   HG13  ILE  18          HG11      ILE  18  10.122   1.182   0.048
  164   HG21  ILE  18          HG21      ILE  18  12.989   3.505  -0.490
  165   HG22  ILE  18          HG22      ILE  18  13.504   3.498   1.195
  166   HG23  ILE  18          HG23      ILE  18  12.003   4.302   0.734
  167   HD11  ILE  18          HD11      ILE  18  10.169   4.187  -0.113
  168   HD12  ILE  18          HD12      ILE  18   9.326   3.231   1.106
  169   HD13  ILE  18          HD13      ILE  18   8.834   3.137  -0.585
  170    H    LYS  19           HN       LYS  19  15.049  -0.159   0.232
  171    HA   LYS  19           HA       LYS  19  15.943   0.430   2.947
  172    HB2  LYS  19           HB2      LYS  19  17.264  -1.228   0.790
  173    HB3  LYS  19           HB1      LYS  19  17.806  -1.090   2.457
  174    HG2  LYS  19           HG2      LYS  19  15.209  -2.295   1.522
  175    HG3  LYS  19           HG1      LYS  19  16.623  -3.173   2.108
  176    HD2  LYS  19           HD2      LYS  19  16.377  -2.103   4.297
  177    HD3  LYS  19           HD1      LYS  19  14.964  -1.224   3.710
  178    HE2  LYS  19           HE2      LYS  19  13.803  -3.335   3.323
  179    HE3  LYS  19           HE1      LYS  19  15.217  -4.223   3.880
  180    HZ1  LYS  19           HZ1      LYS  19  13.616  -2.343   5.527
  181    HZ2  LYS  19           HZ2      LYS  19  14.955  -3.229   6.058
  182    HZ3  LYS  19           HZ3      LYS  19  13.535  -4.030   5.607
  183    H    ARG  20           HN       ARG  20  16.287   1.526  -0.248
  184    HA   ARG  20           HA       ARG  20  18.727   2.998   0.242
  185    HB2  ARG  20           HB2      ARG  20  18.597   3.733  -2.000
  186    HB3  ARG  20           HB1      ARG  20  18.008   2.080  -2.041
  187    HG2  ARG  20           HG2      ARG  20  16.186   4.470  -1.917
  188    HG3  ARG  20           HG1      ARG  20  16.740   3.750  -3.429
  189    HD2  ARG  20           HD2      ARG  20  15.683   1.662  -2.878
  190    HD3  ARG  20           HD1      ARG  20  15.262   2.252  -1.273
  191    HE   ARG  20           HE       ARG  20  13.993   4.031  -2.744
  192   HH11  ARG  20          HH11      ARG  20  14.223   0.564  -3.205
  193   HH12  ARG  20          HH12      ARG  20  12.640   0.427  -3.904
  194   HH21  ARG  20          HH21      ARG  20  11.902   3.837  -3.660
  195   HH22  ARG  20          HH22      ARG  20  11.335   2.279  -4.167
  196    HA   PRO  21           HA       PRO  21  16.837   6.653   1.886
  197    HB2  PRO  21           HB2      PRO  21  18.580   8.322   0.199
  198    HB3  PRO  21           HB1      PRO  21  18.524   8.183   1.957
  199    HG2  PRO  21           HG2      PRO  21  20.565   7.183   0.529
  200    HG3  PRO  21           HG1      PRO  21  19.970   6.387   1.997
  201    HD2  PRO  21           HD2      PRO  21  19.456   5.700  -0.871
  202    HD3  PRO  21           HD1      PRO  21  19.784   4.626   0.503
  203    H    SER  22           HN       SER  22  14.775   6.746   1.046
  204    HA   SER  22           HA       SER  22  14.473   8.323  -1.418
  205    HB2  SER  22           HB2      SER  22  12.734   6.004  -0.539
  206    HB3  SER  22           HB1      SER  22  12.479   6.998  -1.974
  207    HG   SER  22           HG       SER  22  14.982   6.139  -2.025
  Start of MODEL   15
    1    H1   LEU   1           HT1      LEU   1 -13.546   9.402   2.352
    2    H2   LEU   1           HT2      LEU   1 -14.434   8.810   1.044
    3    H3   LEU   1           HT3      LEU   1 -12.888   8.211   1.352
    4    HA   LEU   1           HA       LEU   1 -13.618   7.253   3.422
    5    HB2  LEU   1           HB2      LEU   1 -16.060   8.769   2.721
    6    HB3  LEU   1           HB1      LEU   1 -16.319   7.179   3.409
    7    HG   LEU   1           HG       LEU   1 -14.974   7.838   5.381
    8   HD11  LEU   1          HD11      LEU   1 -13.576   9.540   4.337
    9   HD12  LEU   1          HD12      LEU   1 -14.426  10.182   5.742
   10   HD13  LEU   1          HD13      LEU   1 -14.990  10.573   4.118
   11   HD21  LEU   1          HD21      LEU   1 -17.289   9.660   4.748
   12   HD22  LEU   1          HD22      LEU   1 -16.653   9.316   6.356
   13   HD23  LEU   1          HD23      LEU   1 -17.401   8.030   5.410
   14    H    ARG   2           HN       ARG   2 -12.749   5.655   1.997
   15    HA   ARG   2           HA       ARG   2 -14.800   3.775   1.170
   16    HB2  ARG   2           HB2      ARG   2 -14.218   5.155  -0.866
   17    HB3  ARG   2           HB1      ARG   2 -12.582   4.523  -0.725
   18    HG2  ARG   2           HG2      ARG   2 -13.797   3.272  -2.385
   19    HG3  ARG   2           HG1      ARG   2 -13.448   2.244  -0.993
   20    HD2  ARG   2           HD2      ARG   2 -15.736   1.924  -1.829
   21    HD3  ARG   2           HD1      ARG   2 -15.711   2.532  -0.175
   22    HE   ARG   2           HE       ARG   2 -15.932   4.595  -2.172
   23   HH11  ARG   2          HH11      ARG   2 -17.715   2.305  -0.205
   24   HH12  ARG   2          HH12      ARG   2 -19.188   3.223  -0.250
   25   HH21  ARG   2          HH21      ARG   2 -17.861   5.806  -2.223
   26   HH22  ARG   2          HH22      ARG   2 -19.270   5.216  -1.402
   27    H    LEU   3           HN       LEU   3 -14.241   1.882   2.008
   28    HA   LEU   3           HA       LEU   3 -11.802   1.557   3.332
   29    HB2  LEU   3           HB2      LEU   3 -12.513  -0.895   3.445
   30    HB3  LEU   3           HB1      LEU   3 -13.501   0.302   4.263
   31    HG   LEU   3           HG       LEU   3 -14.900   0.224   2.044
   32   HD11  LEU   3          HD11      LEU   3 -14.916  -1.961   0.993
   33   HD12  LEU   3          HD12      LEU   3 -13.569  -2.476   2.008
   34   HD13  LEU   3          HD13      LEU   3 -13.335  -1.199   0.815
   35   HD21  LEU   3          HD21      LEU   3 -15.756  -0.396   4.199
   36   HD22  LEU   3          HD22      LEU   3 -14.900  -1.936   4.131
   37   HD23  LEU   3          HD23      LEU   3 -16.226  -1.613   3.013
   38    H    ILE   4           HN       ILE   4 -12.778   0.670   0.125
   39    HA   ILE   4           HA       ILE   4 -10.796  -1.202  -0.413
   40    HB   ILE   4           HB       ILE   4 -12.107   0.773  -2.284
   41   HG12  ILE   4          HG12      ILE   4 -13.635  -0.836  -1.240
   42   HG13  ILE   4          HG11      ILE   4 -13.459  -1.158  -2.959
   43   HG21  ILE   4          HG21      ILE   4 -11.327  -0.663  -4.120
   44   HG22  ILE   4          HG22      ILE   4 -10.399  -1.619  -2.965
   45   HG23  ILE   4          HG23      ILE   4  -9.988   0.074  -3.241
   46   HD11  ILE   4          HD11      ILE   4 -11.905  -2.977  -2.459
   47   HD12  ILE   4          HD12      ILE   4 -13.477  -3.218  -1.698
   48   HD13  ILE   4          HD13      ILE   4 -12.109  -2.665  -0.733
   49    H    HIS   5           HN       HIS   5 -10.749   2.330  -0.714
   50    HA   HIS   5           HA       HIS   5  -8.095   2.493  -1.710
   51    HB2  HIS   5           HB2      HIS   5  -9.860   4.519  -0.333
   52    HB3  HIS   5           HB1      HIS   5  -8.237   4.898  -0.889
   53    HD1  HIS   5           HD1      HIS   5  -8.354   6.152  -2.997
   54    HD2  HIS   5           HD2      HIS   5 -11.332   3.264  -2.769
   55    HE1  HIS   5           HE1      HIS   5  -9.654   6.349  -5.133
   56    HE2  HIS   5           HE2      HIS   5 -11.328   4.474  -5.051
   57    H    ALA   6           HN       ALA   6  -9.492   2.260   1.465
   58    HA   ALA   6           HA       ALA   6  -7.222   3.188   2.908
   59    HB1  ALA   6           HB1      ALA   6  -9.509   1.479   3.877
   60    HB2  ALA   6           HB2      ALA   6  -9.499   3.241   3.829
   61    HB3  ALA   6           HB3      ALA   6  -8.377   2.382   4.882
   62    H    VAL   7           HN       VAL   7  -8.405  -0.046   2.015
   63    HA   VAL   7           HA       VAL   7  -6.188  -1.256   3.440
   64    HB   VAL   7           HB       VAL   7  -8.340  -2.359   3.611
   65   HG11  VAL   7          HG11      VAL   7  -9.330  -3.502   1.669
   66   HG12  VAL   7          HG12      VAL   7  -8.142  -2.714   0.632
   67   HG13  VAL   7          HG13      VAL   7  -9.329  -1.747   1.508
   68   HG21  VAL   7          HG21      VAL   7  -6.376  -4.005   2.016
   69   HG22  VAL   7          HG22      VAL   7  -7.664  -4.636   3.044
   70   HG23  VAL   7          HG23      VAL   7  -6.328  -3.733   3.758
   71    H    ARG   8           HN       ARG   8  -7.194  -0.812   0.051
   72    HA   ARG   8           HA       ARG   8  -5.168  -2.424  -1.072
   73    HB2  ARG   8           HB2      ARG   8  -6.976  -0.306  -2.098
   74    HB3  ARG   8           HB1      ARG   8  -5.551  -0.675  -3.056
   75    HG2  ARG   8           HG2      ARG   8  -7.479  -1.919  -3.832
   76    HG3  ARG   8           HG1      ARG   8  -6.244  -3.006  -3.200
   77    HD2  ARG   8           HD2      ARG   8  -7.465  -3.321  -1.175
   78    HD3  ARG   8           HD1      ARG   8  -8.618  -2.061  -1.607
   79    HE   ARG   8           HE       ARG   8  -8.994  -3.730  -3.617
   80   HH11  ARG   8          HH11      ARG   8  -8.584  -4.475  -0.217
   81   HH12  ARG   8          HH12      ARG   8  -9.616  -5.867  -0.268
   82   HH21  ARG   8          HH21      ARG   8 -10.353  -5.569  -3.676
   83   HH22  ARG   8          HH22      ARG   8 -10.613  -6.490  -2.227
   84    H    GLY   9           HN       GLY   9  -5.339   1.122  -0.898
   85    HA2  GLY   9           HA2      GLY   9  -2.739   1.676  -1.681
   86    HA3  GLY   9           HA1      GLY   9  -3.701   2.705  -0.630
   87    H    TYR  10           HN       TYR  10  -3.962   0.628   1.396
   88    HA   TYR  10           HA       TYR  10  -1.813   1.188   3.057
   89    HB2  TYR  10           HB2      TYR  10  -3.810   0.432   4.063
   90    HB3  TYR  10           HB1      TYR  10  -3.882  -1.001   3.047
   91    HD1  TYR  10           HD1      TYR  10  -3.376  -3.002   4.025
   92    HD2  TYR  10           HD2      TYR  10  -1.592   0.534   5.584
   93    HE1  TYR  10           HE1      TYR  10  -2.287  -4.332   5.790
   94    HE2  TYR  10           HE2      TYR  10  -0.508  -0.783   7.352
   95    HH   TYR  10           HH       TYR  10  -0.756  -2.898   8.499
   96    H    TRP  11           HN       TRP  11  -2.436  -2.025   1.544
   97    HA   TRP  11           HA       TRP  11   0.153  -2.898   2.319
   98    HB2  TRP  11           HB2      TRP  11  -0.319  -4.959   1.119
   99    HB3  TRP  11           HB1      TRP  11  -1.689  -4.479   2.098
  100    HD1  TRP  11           HD1      TRP  11  -3.940  -3.819   0.842
  101    HE1  TRP  11           HE1      TRP  11  -4.780  -4.321  -1.535
  102    HE3  TRP  11           HE3      TRP  11   0.486  -5.177  -1.311
  103    HZ2  TRP  11           HZ2      TRP  11  -3.710  -5.181  -4.001
  104    HZ3  TRP  11           HZ3      TRP  11   0.492  -5.837  -3.680
  105    HH2  TRP  11           HH2      TRP  11  -1.563  -5.838  -4.999
  106    H    LEU  12           HN       LEU  12  -1.095  -1.409  -0.548
  107    HA   LEU  12           HA       LEU  12   0.988  -2.021  -2.319
  108    HB2  LEU  12           HB2      LEU  12  -0.836   0.368  -2.137
  109    HB3  LEU  12           HB1      LEU  12   0.262   0.090  -3.472
  110    HG   LEU  12           HG       LEU  12  -1.927  -1.829  -2.671
  111   HD11  LEU  12          HD11      LEU  12  -2.903   0.275  -3.428
  112   HD12  LEU  12          HD12      LEU  12  -3.127  -0.982  -4.645
  113   HD13  LEU  12          HD13      LEU  12  -1.884   0.249  -4.867
  114   HD21  LEU  12          HD21      LEU  12  -1.498  -2.775  -4.901
  115   HD22  LEU  12          HD22      LEU  12  -0.084  -2.875  -3.853
  116   HD23  LEU  12          HD23      LEU  12  -0.162  -1.645  -5.114
  117    H    THR  13           HN       THR  13   0.577   0.760  -0.127
  118    HA   THR  13           HA       THR  13   3.100   1.904  -0.898
  119    HB   THR  13           HB       THR  13   2.666   3.515   0.968
  120    HG1  THR  13           HG1      THR  13   0.152   2.181   1.186
  121   HG21  THR  13          HG21      THR  13   1.878   3.968  -1.306
  122   HG22  THR  13          HG22      THR  13   0.754   4.600  -0.104
  123   HG23  THR  13          HG23      THR  13   0.380   3.106  -0.961
  124    H    ASN  14           HN       ASN  14   2.250  -0.602   1.119
  125    HA   ASN  14           HA       ASN  14   4.282  -0.115   3.138
  126    HB2  ASN  14           HB2      ASN  14   2.116  -2.104   2.733
  127    HB3  ASN  14           HB1      ASN  14   3.432  -2.503   3.834
  128   HD21  ASN  14          HD21      ASN  14   2.266   0.748   3.345
  129   HD22  ASN  14          HD22      ASN  14   1.547   0.938   4.903
  130    H    LYS  15           HN       LYS  15   3.760  -2.196   0.346
  131    HA   LYS  15           HA       LYS  15   5.944  -3.933   0.714
  132    HB2  LYS  15           HB2      LYS  15   4.880  -2.882  -1.917
  133    HB3  LYS  15           HB1      LYS  15   5.827  -4.345  -1.683
  134    HG2  LYS  15           HG2      LYS  15   3.049  -3.838  -0.657
  135    HG3  LYS  15           HG1      LYS  15   3.492  -4.874  -2.016
  136    HD2  LYS  15           HD2      LYS  15   4.812  -6.279  -0.465
  137    HD3  LYS  15           HD1      LYS  15   4.259  -5.274   0.876
  138    HE2  LYS  15           HE2      LYS  15   2.928  -7.301   0.721
  139    HE3  LYS  15           HE1      LYS  15   1.941  -5.883   0.368
  140    HZ1  LYS  15           HZ1      LYS  15   2.200  -6.354  -1.997
  141    HZ2  LYS  15           HZ2      LYS  15   1.492  -7.658  -1.189
  142    HZ3  LYS  15           HZ3      LYS  15   3.118  -7.728  -1.639
  143    H    VAL  16           HN       VAL  16   5.639  -0.718  -0.427
  144    HA   VAL  16           HA       VAL  16   8.150  -0.255  -1.574
  145    HB   VAL  16           HB       VAL  16   6.712   1.834   0.023
  146   HG11  VAL  16          HG11      VAL  16   8.085   1.884  -2.657
  147   HG12  VAL  16          HG12      VAL  16   8.740   2.481  -1.133
  148   HG13  VAL  16          HG13      VAL  16   7.341   3.270  -1.860
  149   HG21  VAL  16          HG21      VAL  16   5.743   0.674  -2.586
  150   HG22  VAL  16          HG22      VAL  16   5.150   2.173  -1.869
  151   HG23  VAL  16          HG23      VAL  16   4.904   0.634  -1.028
  152    HA   PRO  17           HA       PRO  17  10.701  -0.684   2.059
  153    HB2  PRO  17           HB2      PRO  17  12.571   1.111   0.693
  154    HB3  PRO  17           HB1      PRO  17  12.818  -0.540   1.255
  155    HG2  PRO  17           HG2      PRO  17  12.591   0.053  -1.363
  156    HG3  PRO  17           HG1      PRO  17  12.003  -1.472  -0.680
  157    HD2  PRO  17           HD2      PRO  17  10.477   0.944  -1.522
  158    HD3  PRO  17           HD1      PRO  17  10.028  -0.770  -1.618
  159    H    ILE  18           HN       ILE  18  10.281   0.390   3.822
  160    HA   ILE  18           HA       ILE  18  10.238   3.326   3.758
  161    HB   ILE  18           HB       ILE  18   8.809   1.510   5.715
  162   HG12  ILE  18          HG12      ILE  18   7.728   3.173   3.425
  163   HG13  ILE  18          HG11      ILE  18   7.827   1.417   3.457
  164   HG21  ILE  18          HG21      ILE  18   8.711   4.504   5.357
  165   HG22  ILE  18          HG22      ILE  18   9.445   3.641   6.706
  166   HG23  ILE  18          HG23      ILE  18   7.701   3.571   6.461
  167   HD11  ILE  18          HD11      ILE  18   5.566   2.239   3.894
  168   HD12  ILE  18          HD12      ILE  18   6.161   3.097   5.316
  169   HD13  ILE  18          HD13      ILE  18   6.216   1.336   5.261
  170    H    LYS  19           HN       LYS  19  12.393   3.576   4.104
  171    HA   LYS  19           HA       LYS  19  13.699   2.287   6.355
  172    HB2  LYS  19           HB2      LYS  19  14.790   4.307   4.383
  173    HB3  LYS  19           HB1      LYS  19  15.731   3.316   5.492
  174    HG2  LYS  19           HG2      LYS  19  15.092   1.314   4.320
  175    HG3  LYS  19           HG1      LYS  19  14.012   2.232   3.269
  176    HD2  LYS  19           HD2      LYS  19  15.991   3.496   2.448
  177    HD3  LYS  19           HD1      LYS  19  17.020   2.433   3.411
  178    HE2  LYS  19           HE2      LYS  19  15.149   1.538   1.219
  179    HE3  LYS  19           HE1      LYS  19  16.893   1.732   1.055
  180    HZ1  LYS  19           HZ1      LYS  19  16.254  -0.576   1.452
  181    HZ2  LYS  19           HZ2      LYS  19  15.555  -0.141   2.926
  182    HZ3  LYS  19           HZ3      LYS  19  17.221   0.021   2.704
  183    H    ARG  20           HN       ARG  20  12.201   5.257   5.537
  184    HA   ARG  20           HA       ARG  20  13.384   6.728   7.743
  185    HB2  ARG  20           HB2      ARG  20  11.139   7.515   5.878
  186    HB3  ARG  20           HB1      ARG  20  12.019   8.587   6.952
  187    HG2  ARG  20           HG2      ARG  20  14.046   8.275   5.689
  188    HG3  ARG  20           HG1      ARG  20  13.256   7.082   4.658
  189    HD2  ARG  20           HD2      ARG  20  11.678   8.831   3.913
  190    HD3  ARG  20           HD1      ARG  20  12.568  10.008   4.876
  191    HE   ARG  20           HE       ARG  20  14.444   8.834   3.246
  192   HH11  ARG  20          HH11      ARG  20  11.468  10.605   2.770
  193   HH12  ARG  20          HH12      ARG  20  11.961  11.274   1.249
  194   HH21  ARG  20          HH21      ARG  20  15.093   9.712   1.238
  195   HH22  ARG  20          HH22      ARG  20  14.018  10.771   0.379
  196    HA   PRO  21           HA       PRO  21  10.321   5.590  10.652
  197    HB2  PRO  21           HB2      PRO  21  10.248   7.759  12.275
  198    HB3  PRO  21           HB1      PRO  21  11.606   6.633  12.233
  199    HG2  PRO  21           HG2      PRO  21  11.345   9.333  11.004
  200    HG3  PRO  21           HG1      PRO  21  12.762   8.563  11.736
  201    HD2  PRO  21           HD2      PRO  21  12.308   8.755   9.025
  202    HD3  PRO  21           HD1      PRO  21  13.352   7.542   9.781
  203    H    SER  22           HN       SER  22   8.274   5.381   9.979
  204    HA   SER  22           HA       SER  22   6.540   7.710  10.088
  205    HB2  SER  22           HB2      SER  22   6.679   5.947   7.627
  206    HB3  SER  22           HB1      SER  22   5.531   7.258   7.895
  207    HG   SER  22           HG       SER  22   8.030   8.157   8.285
  Start of MODEL   16
    1    H1   LEU   1           HT1      LEU   1 -10.484  10.004   1.200
    2    H2   LEU   1           HT2      LEU   1 -11.540   9.504   2.423
    3    H3   LEU   1           HT3      LEU   1 -12.026   9.434   0.807
    4    HA   LEU   1           HA       LEU   1 -10.409   7.755   0.326
    5    HB2  LEU   1           HB2      LEU   1  -8.735   8.540   1.957
    6    HB3  LEU   1           HB1      LEU   1  -9.744   7.950   3.262
    7    HG   LEU   1           HG       LEU   1  -9.468   5.646   2.410
    8   HD11  LEU   1          HD11      LEU   1  -9.081   6.152   0.064
    9   HD12  LEU   1          HD12      LEU   1  -7.755   5.198   0.722
   10   HD13  LEU   1          HD13      LEU   1  -7.553   6.931   0.468
   11   HD21  LEU   1          HD21      LEU   1  -6.907   7.140   2.937
   12   HD22  LEU   1          HD22      LEU   1  -7.126   5.396   3.080
   13   HD23  LEU   1          HD23      LEU   1  -8.001   6.487   4.154
   14    H    ARG   2           HN       ARG   2 -11.368   5.816   0.144
   15    HA   ARG   2           HA       ARG   2 -13.535   5.186   2.035
   16    HB2  ARG   2           HB2      ARG   2 -13.932   5.519  -0.512
   17    HB3  ARG   2           HB1      ARG   2 -13.192   3.934  -0.669
   18    HG2  ARG   2           HG2      ARG   2 -15.565   3.680  -0.676
   19    HG3  ARG   2           HG1      ARG   2 -14.932   3.019   0.828
   20    HD2  ARG   2           HD2      ARG   2 -15.611   4.999   2.031
   21    HD3  ARG   2           HD1      ARG   2 -16.126   5.770   0.532
   22    HE   ARG   2           HE       ARG   2 -17.488   3.322   0.849
   23   HH11  ARG   2          HH11      ARG   2 -17.365   6.537   2.236
   24   HH12  ARG   2          HH12      ARG   2 -19.038   6.547   2.688
   25   HH21  ARG   2          HH21      ARG   2 -19.702   3.335   1.435
   26   HH22  ARG   2          HH22      ARG   2 -20.365   4.718   2.248
   27    H    LEU   3           HN       LEU   3 -13.916   2.769   2.256
   28    HA   LEU   3           HA       LEU   3 -11.873   1.638   3.650
   29    HB2  LEU   3           HB2      LEU   3 -14.384   1.084   3.489
   30    HB3  LEU   3           HB1      LEU   3 -13.844  -0.015   2.251
   31    HG   LEU   3           HG       LEU   3 -12.776  -0.136   5.051
   32   HD11  LEU   3          HD11      LEU   3 -15.200  -0.432   5.104
   33   HD12  LEU   3          HD12      LEU   3 -14.359  -1.942   5.452
   34   HD13  LEU   3          HD13      LEU   3 -15.075  -1.678   3.862
   35   HD21  LEU   3          HD21      LEU   3 -12.843  -2.149   2.805
   36   HD22  LEU   3          HD22      LEU   3 -12.176  -2.417   4.417
   37   HD23  LEU   3          HD23      LEU   3 -11.429  -1.240   3.336
   38    H    ILE   4           HN       ILE   4 -12.959   0.483   0.488
   39    HA   ILE   4           HA       ILE   4 -10.955  -1.425   0.171
   40    HB   ILE   4           HB       ILE   4 -12.591   0.027  -1.903
   41   HG12  ILE   4          HG12      ILE   4 -13.854  -1.388  -0.353
   42   HG13  ILE   4          HG11      ILE   4 -13.856  -2.080  -1.968
   43   HG21  ILE   4          HG21      ILE   4 -10.801  -2.366  -2.298
   44   HG22  ILE   4          HG22      ILE   4 -10.555  -0.756  -2.972
   45   HG23  ILE   4          HG23      ILE   4 -11.933  -1.726  -3.487
   46   HD11  ILE   4          HD11      ILE   4 -13.566  -3.813  -0.330
   47   HD12  ILE   4          HD12      ILE   4 -12.179  -2.975   0.360
   48   HD13  ILE   4          HD13      ILE   4 -12.086  -3.640  -1.271
   49    H    HIS   5           HN       HIS   5 -10.997   1.985  -0.679
   50    HA   HIS   5           HA       HIS   5  -8.500   1.900  -2.071
   51    HB2  HIS   5           HB2      HIS   5 -10.180   4.150  -0.984
   52    HB3  HIS   5           HB1      HIS   5  -8.593   4.441  -1.686
   53    HD1  HIS   5           HD1      HIS   5  -8.793   5.182  -4.017
   54    HD2  HIS   5           HD2      HIS   5 -11.762   2.455  -3.019
   55    HE1  HIS   5           HE1      HIS   5 -10.181   4.907  -6.089
   56    HE2  HIS   5           HE2      HIS   5 -12.022   3.320  -5.440
   57    H    ALA   6           HN       ALA   6  -9.456   2.089   1.243
   58    HA   ALA   6           HA       ALA   6  -6.980   3.248   2.165
   59    HB1  ALA   6           HB1      ALA   6  -9.148   1.832   3.713
   60    HB2  ALA   6           HB2      ALA   6  -9.051   3.568   3.421
   61    HB3  ALA   6           HB3      ALA   6  -7.824   2.770   4.405
   62    H    VAL   7           HN       VAL   7  -8.422   0.002   2.165
   63    HA   VAL   7           HA       VAL   7  -6.160  -1.223   3.369
   64    HB   VAL   7           HB       VAL   7  -8.270  -2.331   3.586
   65   HG11  VAL   7          HG11      VAL   7  -8.289  -2.541   0.585
   66   HG12  VAL   7          HG12      VAL   7  -9.377  -1.577   1.587
   67   HG13  VAL   7          HG13      VAL   7  -9.431  -3.340   1.665
   68   HG21  VAL   7          HG21      VAL   7  -6.446  -3.933   1.793
   69   HG22  VAL   7          HG22      VAL   7  -7.712  -4.598   2.826
   70   HG23  VAL   7          HG23      VAL   7  -6.324  -3.783   3.547
   71    H    ARG   8           HN       ARG   8  -7.162  -0.747  -0.001
   72    HA   ARG   8           HA       ARG   8  -5.090  -2.251  -1.164
   73    HB2  ARG   8           HB2      ARG   8  -6.962  -0.161  -2.094
   74    HB3  ARG   8           HB1      ARG   8  -5.490  -0.350  -3.036
   75    HG2  ARG   8           HG2      ARG   8  -7.300  -1.671  -3.968
   76    HG3  ARG   8           HG1      ARG   8  -6.000  -2.704  -3.377
   77    HD2  ARG   8           HD2      ARG   8  -7.250  -3.235  -1.394
   78    HD3  ARG   8           HD1      ARG   8  -8.508  -2.081  -1.831
   79    HE   ARG   8           HE       ARG   8  -8.395  -3.810  -3.945
   80   HH11  ARG   8          HH11      ARG   8  -8.861  -4.196  -0.500
   81   HH12  ARG   8          HH12      ARG   8  -9.914  -5.562  -0.659
   82   HH21  ARG   8          HH21      ARG   8  -9.787  -5.605  -4.163
   83   HH22  ARG   8          HH22      ARG   8 -10.449  -6.356  -2.746
   84    H    GLY   9           HN       GLY   9  -5.316   1.258  -0.618
   85    HA2  GLY   9           HA2      GLY   9  -2.721   1.925  -1.381
   86    HA3  GLY   9           HA1      GLY   9  -3.691   2.831  -0.231
   87    H    TYR  10           HN       TYR  10  -3.939   0.632   1.620
   88    HA   TYR  10           HA       TYR  10  -1.796   1.002   3.318
   89    HB2  TYR  10           HB2      TYR  10  -3.733   0.125   4.279
   90    HB3  TYR  10           HB1      TYR  10  -3.886  -1.132   3.064
   91    HD1  TYR  10           HD1      TYR  10  -1.409  -0.102   5.692
   92    HD2  TYR  10           HD2      TYR  10  -3.511  -3.264   3.769
   93    HE1  TYR  10           HE1      TYR  10  -0.374  -1.720   7.231
   94    HE2  TYR  10           HE2      TYR  10  -2.477  -4.887   5.298
   95    HH   TYR  10           HH       TYR  10  -0.582  -5.123   6.729
   96    H    TRP  11           HN       TRP  11  -2.346  -1.936   1.298
   97    HA   TRP  11           HA       TRP  11   0.271  -2.865   2.015
   98    HB2  TRP  11           HB2      TRP  11  -0.185  -4.810   0.618
   99    HB3  TRP  11           HB1      TRP  11  -1.523  -4.475   1.696
  100    HD1  TRP  11           HD1      TRP  11  -3.833  -3.761   0.626
  101    HE1  TRP  11           HE1      TRP  11  -4.782  -4.039  -1.745
  102    HE3  TRP  11           HE3      TRP  11   0.515  -4.754  -1.863
  103    HZ2  TRP  11           HZ2      TRP  11  -3.809  -4.605  -4.341
  104    HZ3  TRP  11           HZ3      TRP  11   0.421  -5.161  -4.287
  105    HH2  TRP  11           HH2      TRP  11  -1.696  -5.088  -5.500
  106    H    LEU  12           HN       LEU  12  -1.102  -1.153  -0.676
  107    HA   LEU  12           HA       LEU  12   0.940  -1.578  -2.549
  108    HB2  LEU  12           HB2      LEU  12  -0.950   0.729  -2.145
  109    HB3  LEU  12           HB1      LEU  12   0.136   0.604  -3.513
  110    HG   LEU  12           HG       LEU  12  -1.937  -1.485  -2.857
  111   HD11  LEU  12          HD11      LEU  12  -2.099   0.805  -4.825
  112   HD12  LEU  12          HD12      LEU  12  -3.029   0.658  -3.334
  113   HD13  LEU  12          HD13      LEU  12  -3.279  -0.492  -4.648
  114   HD21  LEU  12          HD21      LEU  12  -1.545  -2.196  -5.155
  115   HD22  LEU  12          HD22      LEU  12  -0.047  -2.233  -4.227
  116   HD23  LEU  12          HD23      LEU  12  -0.348  -0.917  -5.361
  117    H    THR  13           HN       THR  13   0.755   0.582   0.196
  118    HA   THR  13           HA       THR  13   3.219   1.921  -0.600
  119    HB   THR  13           HB       THR  13   2.871   3.186   1.575
  120    HG1  THR  13           HG1      THR  13   0.232   2.133   1.452
  121   HG21  THR  13          HG21      THR  13   0.682   3.289  -0.502
  122   HG22  THR  13          HG22      THR  13   2.240   4.109  -0.599
  123   HG23  THR  13          HG23      THR  13   1.076   4.574   0.642
  124    H    ASN  14           HN       ASN  14   2.274  -0.765   1.254
  125    HA   ASN  14           HA       ASN  14   4.506  -0.492   3.130
  126    HB2  ASN  14           HB2      ASN  14   1.896  -1.855   3.187
  127    HB3  ASN  14           HB1      ASN  14   3.205  -2.624   4.077
  128   HD21  ASN  14          HD21      ASN  14   1.117   0.136   3.862
  129   HD22  ASN  14          HD22      ASN  14   1.498   0.795   5.419
  130    H    LYS  15           HN       LYS  15   3.294  -2.704   0.650
  131    HA   LYS  15           HA       LYS  15   5.094  -4.830   1.323
  132    HB2  LYS  15           HB2      LYS  15   3.595  -4.290  -1.244
  133    HB3  LYS  15           HB1      LYS  15   4.416  -5.789  -0.839
  134    HG2  LYS  15           HG2      LYS  15   2.052  -4.590   0.566
  135    HG3  LYS  15           HG1      LYS  15   2.051  -6.029  -0.461
  136    HD2  LYS  15           HD2      LYS  15   3.604  -7.115   1.141
  137    HD3  LYS  15           HD1      LYS  15   3.466  -5.700   2.185
  138    HE2  LYS  15           HE2      LYS  15   1.035  -6.098   2.341
  139    HE3  LYS  15           HE1      LYS  15   1.234  -7.555   1.372
  140    HZ1  LYS  15           HZ1      LYS  15   2.731  -8.413   3.099
  141    HZ2  LYS  15           HZ2      LYS  15   1.172  -8.125   3.687
  142    HZ3  LYS  15           HZ3      LYS  15   2.423  -7.042   4.043
  143    H    VAL  16           HN       VAL  16   5.627  -1.907   0.135
  144    HA   VAL  16           HA       VAL  16   7.675  -2.549  -1.817
  145    HB   VAL  16           HB       VAL  16   7.089   0.204  -0.803
  146   HG11  VAL  16          HG11      VAL  16   7.771  -0.871  -3.536
  147   HG12  VAL  16          HG12      VAL  16   8.887  -0.092  -2.417
  148   HG13  VAL  16          HG13      VAL  16   7.557   0.829  -3.119
  149   HG21  VAL  16          HG21      VAL  16   4.898  -0.872  -1.117
  150   HG22  VAL  16          HG22      VAL  16   5.356  -1.278  -2.777
  151   HG23  VAL  16          HG23      VAL  16   5.190   0.411  -2.300
  152    HA   PRO  17           HA       PRO  17  10.629  -2.379   1.612
  153    HB2  PRO  17           HB2      PRO  17  12.636  -2.918  -0.424
  154    HB3  PRO  17           HB1      PRO  17  12.164  -3.909   0.954
  155    HG2  PRO  17           HG2      PRO  17  11.606  -4.597  -1.613
  156    HG3  PRO  17           HG1      PRO  17  10.586  -5.062  -0.241
  157    HD2  PRO  17           HD2      PRO  17  10.183  -2.893  -2.258
  158    HD3  PRO  17           HD1      PRO  17   8.991  -3.973  -1.502
  159    H    ILE  18           HN       ILE  18  11.307  -0.465   2.282
  160    HA   ILE  18           HA       ILE  18  12.423   1.416   0.320
  161    HB   ILE  18           HB       ILE  18  10.796   2.158   2.761
  162   HG12  ILE  18          HG12      ILE  18  10.024   2.244  -0.167
  163   HG13  ILE  18          HG11      ILE  18   9.419   1.079   1.006
  164   HG21  ILE  18          HG21      ILE  18  10.827   4.415   1.794
  165   HG22  ILE  18          HG22      ILE  18  11.870   3.836   0.497
  166   HG23  ILE  18          HG23      ILE  18  12.452   3.836   2.161
  167   HD11  ILE  18          HD11      ILE  18   7.797   2.830   0.599
  168   HD12  ILE  18          HD12      ILE  18   8.973   4.055   1.074
  169   HD13  ILE  18          HD13      ILE  18   8.376   2.897   2.262
  170    H    LYS  19           HN       LYS  19  14.542   0.964   0.739
  171    HA   LYS  19           HA       LYS  19  15.553   0.925   3.444
  172    HB2  LYS  19           HB2      LYS  19  17.755   0.590   2.369
  173    HB3  LYS  19           HB1      LYS  19  16.553  -0.574   1.832
  174    HG2  LYS  19           HG2      LYS  19  16.232   0.707  -0.228
  175    HG3  LYS  19           HG1      LYS  19  17.446   1.869   0.314
  176    HD2  LYS  19           HD2      LYS  19  19.135   0.111   0.336
  177    HD3  LYS  19           HD1      LYS  19  17.925  -1.071  -0.166
  178    HE2  LYS  19           HE2      LYS  19  17.578   0.185  -2.246
  179    HE3  LYS  19           HE1      LYS  19  18.814   1.337  -1.744
  180    HZ1  LYS  19           HZ1      LYS  19  20.447  -0.415  -1.788
  181    HZ2  LYS  19           HZ2      LYS  19  19.670  -0.332  -3.285
  182    HZ3  LYS  19           HZ3      LYS  19  19.270  -1.559  -2.195
  183    H    ARG  20           HN       ARG  20  15.047   3.228   0.975
  184    HA   ARG  20           HA       ARG  20  16.940   5.162   1.987
  185    HB2  ARG  20           HB2      ARG  20  14.657   5.450   0.029
  186    HB3  ARG  20           HB1      ARG  20  15.825   6.706   0.391
  187    HG2  ARG  20           HG2      ARG  20  17.615   5.288  -0.482
  188    HG3  ARG  20           HG1      ARG  20  16.426   4.041  -0.868
  189    HD2  ARG  20           HD2      ARG  20  15.290   5.583  -2.379
  190    HD3  ARG  20           HD1      ARG  20  16.454   6.843  -1.978
  191    HE   ARG  20           HE       ARG  20  17.887   4.644  -2.904
  192   HH11  ARG  20          HH11      ARG  20  15.556   6.948  -4.125
  193   HH12  ARG  20          HH12      ARG  20  16.140   6.871  -5.756
  194   HH21  ARG  20          HH21      ARG  20  18.653   4.537  -5.061
  195   HH22  ARG  20          HH22      ARG  20  17.909   5.516  -6.285
  196    HA   PRO  21           HA       PRO  21  14.199   6.923   4.974
  197    HB2  PRO  21           HB2      PRO  21  15.181   9.430   5.166
  198    HB3  PRO  21           HB1      PRO  21  16.054   8.022   5.775
  199    HG2  PRO  21           HG2      PRO  21  16.498   9.604   3.295
  200    HG3  PRO  21           HG1      PRO  21  17.674   8.796   4.341
  201    HD2  PRO  21           HD2      PRO  21  16.715   7.822   1.919
  202    HD3  PRO  21           HD1      PRO  21  17.524   6.858   3.164
  203    H    SER  22           HN       SER  22  12.287   6.814   3.698
  204    HA   SER  22           HA       SER  22  11.592   9.158   2.116
  205    HB2  SER  22           HB2      SER  22  11.114   6.780   1.346
  206    HB3  SER  22           HB1      SER  22   9.897   6.701   2.618
  207    HG   SER  22           HG       SER  22   8.768   8.355   1.613
  Start of MODEL   17
    1    H1   LEU   1           HT1      LEU   1 -13.459   8.026   2.727
    2    H2   LEU   1           HT2      LEU   1 -12.305   6.968   2.093
    3    H3   LEU   1           HT3      LEU   1 -13.519   6.380   3.111
    4    HA   LEU   1           HA       LEU   1 -15.199   6.976   1.483
    5    HB2  LEU   1           HB2      LEU   1 -12.793   7.643  -0.215
    6    HB3  LEU   1           HB1      LEU   1 -14.442   7.542  -0.802
    7    HG   LEU   1           HG       LEU   1 -13.387   9.551   1.190
    8   HD11  LEU   1          HD11      LEU   1 -13.813  11.169  -0.582
    9   HD12  LEU   1          HD12      LEU   1 -14.313   9.865  -1.660
   10   HD13  LEU   1          HD13      LEU   1 -12.644   9.952  -1.096
   11   HD21  LEU   1          HD21      LEU   1 -16.146   9.194   0.026
   12   HD22  LEU   1          HD22      LEU   1 -15.612  10.590   0.960
   13   HD23  LEU   1          HD23      LEU   1 -15.679   8.999   1.716
   14    H    ARG   2           HN       ARG   2 -15.386   4.788   2.032
   15    HA   ARG   2           HA       ARG   2 -15.528   2.571   1.567
   16    HB2  ARG   2           HB2      ARG   2 -15.677   3.397  -0.835
   17    HB3  ARG   2           HB1      ARG   2 -13.958   3.051  -0.947
   18    HG2  ARG   2           HG2      ARG   2 -15.223   1.219  -1.867
   19    HG3  ARG   2           HG1      ARG   2 -14.401   0.709  -0.388
   20    HD2  ARG   2           HD2      ARG   2 -16.751  -0.098  -0.581
   21    HD3  ARG   2           HD1      ARG   2 -16.429   0.848   0.870
   22    HE   ARG   2           HE       ARG   2 -17.460   2.398  -1.327
   23   HH11  ARG   2          HH11      ARG   2 -18.308   0.405   1.422
   24   HH12  ARG   2          HH12      ARG   2 -19.872   1.124   1.626
   25   HH21  ARG   2          HH21      ARG   2 -19.513   3.366  -1.050
   26   HH22  ARG   2          HH22      ARG   2 -20.554   2.810   0.223
   27    H    LEU   3           HN       LEU   3 -14.396   1.106   2.608
   28    HA   LEU   3           HA       LEU   3 -11.782   1.569   3.430
   29    HB2  LEU   3           HB2      LEU   3 -11.804  -0.850   4.137
   30    HB3  LEU   3           HB1      LEU   3 -13.049   0.179   4.833
   31    HG   LEU   3           HG       LEU   3 -14.484  -0.793   2.839
   32   HD11  LEU   3          HD11      LEU   3 -12.418  -2.951   3.257
   33   HD12  LEU   3          HD12      LEU   3 -12.613  -1.985   1.795
   34   HD13  LEU   3          HD13      LEU   3 -13.892  -3.084   2.299
   35   HD21  LEU   3          HD21      LEU   3 -13.759  -2.308   5.332
   36   HD22  LEU   3          HD22      LEU   3 -15.174  -2.633   4.328
   37   HD23  LEU   3          HD23      LEU   3 -15.020  -1.088   5.164
   38    H    ILE   4           HN       ILE   4 -12.983  -0.020   0.643
   39    HA   ILE   4           HA       ILE   4 -10.854  -1.646  -0.002
   40    HB   ILE   4           HB       ILE   4 -12.625  -0.082  -1.893
   41   HG12  ILE   4          HG12      ILE   4 -13.856  -1.583  -0.380
   42   HG13  ILE   4          HG11      ILE   4 -13.935  -2.132  -2.047
   43   HG21  ILE   4          HG21      ILE   4 -12.018  -1.731  -3.589
   44   HG22  ILE   4          HG22      ILE   4 -10.892  -2.482  -2.460
   45   HG23  ILE   4          HG23      ILE   4 -10.607  -0.837  -3.025
   46   HD11  ILE   4          HD11      ILE   4 -13.626  -3.997  -0.550
   47   HD12  ILE   4          HD12      ILE   4 -12.167  -3.257   0.108
   48   HD13  ILE   4          HD13      ILE   4 -12.203  -3.794  -1.572
   49    H    HIS   5           HN       HIS   5 -11.328   1.800  -0.586
   50    HA   HIS   5           HA       HIS   5  -8.978   2.168  -2.150
   51    HB2  HIS   5           HB2      HIS   5 -10.722   4.106  -0.625
   52    HB3  HIS   5           HB1      HIS   5  -9.329   4.614  -1.568
   53    HD1  HIS   5           HD1      HIS   5 -10.104   5.579  -3.688
   54    HD2  HIS   5           HD2      HIS   5 -12.424   2.324  -2.551
   55    HE1  HIS   5           HE1      HIS   5 -11.800   5.289  -5.514
   56    HE2  HIS   5           HE2      HIS   5 -13.094   3.223  -4.881
   57    H    ALA   6           HN       ALA   6  -9.739   2.320   1.250
   58    HA   ALA   6           HA       ALA   6  -7.324   3.537   2.105
   59    HB1  ALA   6           HB1      ALA   6  -9.255   1.821   3.663
   60    HB2  ALA   6           HB2      ALA   6  -9.380   3.566   3.443
   61    HB3  ALA   6           HB3      ALA   6  -8.025   2.886   4.343
   62    H    VAL   7           HN       VAL   7  -8.458   0.152   2.115
   63    HA   VAL   7           HA       VAL   7  -6.084  -0.835   3.299
   64    HB   VAL   7           HB       VAL   7  -8.167  -2.059   3.503
   65   HG11  VAL   7          HG11      VAL   7  -9.071  -3.342   1.604
   66   HG12  VAL   7          HG12      VAL   7  -7.936  -2.515   0.537
   67   HG13  VAL   7          HG13      VAL   7  -9.186  -1.596   1.379
   68   HG21  VAL   7          HG21      VAL   7  -6.101  -3.307   3.736
   69   HG22  VAL   7          HG22      VAL   7  -6.071  -3.621   2.001
   70   HG23  VAL   7          HG23      VAL   7  -7.348  -4.311   3.001
   71    H    ARG   8           HN       ARG   8  -7.099  -0.460  -0.067
   72    HA   ARG   8           HA       ARG   8  -5.068  -1.903  -1.295
   73    HB2  ARG   8           HB2      ARG   8  -6.925   0.220  -2.076
   74    HB3  ARG   8           HB1      ARG   8  -5.418   0.230  -2.981
   75    HG2  ARG   8           HG2      ARG   8  -7.102  -1.083  -4.125
   76    HG3  ARG   8           HG1      ARG   8  -5.761  -2.094  -3.595
   77    HD2  ARG   8           HD2      ARG   8  -7.052  -2.881  -1.706
   78    HD3  ARG   8           HD1      ARG   8  -8.387  -1.815  -2.148
   79    HE   ARG   8           HE       ARG   8  -7.839  -3.427  -4.350
   80   HH11  ARG   8          HH11      ARG   8  -8.983  -3.820  -1.064
   81   HH12  ARG   8          HH12      ARG   8  -9.966  -5.198  -1.436
   82   HH21  ARG   8          HH21      ARG   8  -9.117  -5.250  -4.834
   83   HH22  ARG   8          HH22      ARG   8 -10.026  -6.028  -3.573
   84    H    GLY   9           HN       GLY   9  -5.127   1.611  -0.738
   85    HA2  GLY   9           HA2      GLY   9  -2.473   2.105  -1.441
   86    HA3  GLY   9           HA1      GLY   9  -3.431   3.116  -0.370
   87    H    TYR  10           HN       TYR  10  -3.818   0.826   1.475
   88    HA   TYR  10           HA       TYR  10  -1.696   1.288   3.241
   89    HB2  TYR  10           HB2      TYR  10  -3.747   0.614   4.185
   90    HB3  TYR  10           HB1      TYR  10  -3.875  -0.784   3.126
   91    HD1  TYR  10           HD1      TYR  10  -3.258  -2.871   3.904
   92    HD2  TYR  10           HD2      TYR  10  -1.771   0.589   5.884
   93    HE1  TYR  10           HE1      TYR  10  -2.264  -4.298   5.641
   94    HE2  TYR  10           HE2      TYR  10  -0.773  -0.827   7.628
   95    HH   TYR  10           HH       TYR  10  -0.455  -4.194   7.298
   96    H    TRP  11           HN       TRP  11  -2.419  -1.715   1.377
   97    HA   TRP  11           HA       TRP  11   0.115  -2.790   2.205
   98    HB2  TRP  11           HB2      TRP  11  -0.454  -4.785   0.947
   99    HB3  TRP  11           HB1      TRP  11  -1.805  -4.277   1.940
  100    HD1  TRP  11           HD1      TRP  11  -4.014  -3.490   0.712
  101    HE1  TRP  11           HE1      TRP  11  -4.878  -3.873  -1.679
  102    HE3  TRP  11           HE3      TRP  11   0.353  -4.948  -1.494
  103    HZ2  TRP  11           HZ2      TRP  11  -3.842  -4.695  -4.176
  104    HZ3  TRP  11           HZ3      TRP  11   0.334  -5.524  -3.886
  105    HH2  TRP  11           HH2      TRP  11  -1.722  -5.399  -5.200
  106    H    LEU  12           HN       LEU  12  -1.112  -1.183  -0.618
  107    HA   LEU  12           HA       LEU  12   0.883  -1.864  -2.453
  108    HB2  LEU  12           HB2      LEU  12  -0.796   0.621  -2.177
  109    HB3  LEU  12           HB1      LEU  12   0.261   0.322  -3.540
  110    HG   LEU  12           HG       LEU  12  -1.996  -1.518  -2.755
  111   HD11  LEU  12          HD11      LEU  12  -1.937   0.627  -4.884
  112   HD12  LEU  12          HD12      LEU  12  -2.858   0.695  -3.382
  113   HD13  LEU  12          HD13      LEU  12  -3.244  -0.521  -4.599
  114   HD21  LEU  12          HD21      LEU  12  -1.680  -2.418  -4.995
  115   HD22  LEU  12          HD22      LEU  12  -0.188  -2.536  -4.064
  116   HD23  LEU  12          HD23      LEU  12  -0.368  -1.279  -5.287
  117    H    THR  13           HN       THR  13   0.919   0.404   0.198
  118    HA   THR  13           HA       THR  13   3.456   1.531  -0.688
  119    HB   THR  13           HB       THR  13   3.246   2.890   1.448
  120    HG1  THR  13           HG1      THR  13   0.516   2.168   1.433
  121   HG21  THR  13          HG21      THR  13   1.535   4.368   0.500
  122   HG22  THR  13          HG22      THR  13   1.033   3.080  -0.596
  123   HG23  THR  13          HG23      THR  13   2.642   3.785  -0.743
  124    H    ASN  14           HN       ASN  14   2.347  -0.986   1.340
  125    HA   ASN  14           HA       ASN  14   4.618  -0.769   3.167
  126    HB2  ASN  14           HB2      ASN  14   1.952  -2.016   3.264
  127    HB3  ASN  14           HB1      ASN  14   3.227  -2.837   4.160
  128   HD21  ASN  14          HD21      ASN  14   1.333   0.078   3.879
  129   HD22  ASN  14          HD22      ASN  14   1.746   0.725   5.431
  130    H    LYS  15           HN       LYS  15   3.357  -2.941   0.704
  131    HA   LYS  15           HA       LYS  15   5.091  -5.120   1.385
  132    HB2  LYS  15           HB2      LYS  15   3.657  -4.562  -1.217
  133    HB3  LYS  15           HB1      LYS  15   4.349  -6.100  -0.724
  134    HG2  LYS  15           HG2      LYS  15   2.065  -4.660   0.587
  135    HG3  LYS  15           HG1      LYS  15   1.951  -6.110  -0.418
  136    HD2  LYS  15           HD2      LYS  15   3.305  -7.345   1.217
  137    HD3  LYS  15           HD1      LYS  15   3.405  -5.902   2.225
  138    HE2  LYS  15           HE2      LYS  15   1.719  -7.358   3.115
  139    HE3  LYS  15           HE1      LYS  15   0.936  -5.935   2.431
  140    HZ1  LYS  15           HZ1      LYS  15   1.197  -8.539   1.036
  141    HZ2  LYS  15           HZ2      LYS  15   0.328  -7.195   0.501
  142    HZ3  LYS  15           HZ3      LYS  15  -0.180  -8.040   1.872
  143    H    VAL  16           HN       VAL  16   5.532  -2.203  -0.059
  144    HA   VAL  16           HA       VAL  16   7.482  -2.722  -2.034
  145    HB   VAL  16           HB       VAL  16   7.260  -0.181  -0.439
  146   HG11  VAL  16          HG11      VAL  16   7.795   0.868  -2.591
  147   HG12  VAL  16          HG12      VAL  16   7.886  -0.727  -3.337
  148   HG13  VAL  16          HG13      VAL  16   9.043  -0.271  -2.085
  149   HG21  VAL  16          HG21      VAL  16   5.424   0.514  -1.885
  150   HG22  VAL  16          HG22      VAL  16   4.984  -0.925  -0.954
  151   HG23  VAL  16          HG23      VAL  16   5.425  -1.070  -2.659
  152    HA   PRO  17           HA       PRO  17  10.943  -4.004   0.429
  153    HB2  PRO  17           HB2      PRO  17  12.411  -2.435  -1.632
  154    HB3  PRO  17           HB1      PRO  17  12.723  -4.066  -1.031
  155    HG2  PRO  17           HG2      PRO  17  11.547  -3.708  -3.384
  156    HG3  PRO  17           HG1      PRO  17  11.011  -5.000  -2.293
  157    HD2  PRO  17           HD2      PRO  17   9.716  -2.396  -2.928
  158    HD3  PRO  17           HD1      PRO  17   8.978  -3.959  -2.529
  159    H    ILE  18           HN       ILE  18  12.350  -3.200   1.933
  160    HA   ILE  18           HA       ILE  18  12.564  -0.321   2.273
  161    HB   ILE  18           HB       ILE  18  11.756  -2.161   4.538
  162   HG12  ILE  18          HG12      ILE  18  10.011  -0.248   2.973
  163   HG13  ILE  18          HG11      ILE  18   9.918  -2.002   2.903
  164   HG21  ILE  18          HG21      ILE  18  11.290  -0.046   5.712
  165   HG22  ILE  18          HG22      ILE  18  11.892   0.844   4.315
  166   HG23  ILE  18          HG23      ILE  18  12.980  -0.193   5.235
  167   HD11  ILE  18          HD11      ILE  18   9.266  -2.061   5.252
  168   HD12  ILE  18          HD12      ILE  18   8.159  -1.082   4.293
  169   HD13  ILE  18          HD13      ILE  18   9.359  -0.303   5.322
  170    H    LYS  19           HN       LYS  19  14.555   0.165   2.746
  171    HA   LYS  19           HA       LYS  19  16.682  -1.595   2.896
  172    HB2  LYS  19           HB2      LYS  19  18.027   0.320   3.664
  173    HB3  LYS  19           HB1      LYS  19  16.984   0.740   2.314
  174    HG2  LYS  19           HG2      LYS  19  15.387   1.746   3.910
  175    HG3  LYS  19           HG1      LYS  19  16.529   1.405   5.213
  176    HD2  LYS  19           HD2      LYS  19  18.199   2.813   4.131
  177    HD3  LYS  19           HD1      LYS  19  17.086   3.127   2.799
  178    HE2  LYS  19           HE2      LYS  19  15.510   4.138   4.428
  179    HE3  LYS  19           HE1      LYS  19  16.728   3.926   5.684
  180    HZ1  LYS  19           HZ1      LYS  19  17.088   5.535   3.216
  181    HZ2  LYS  19           HZ2      LYS  19  18.207   5.376   4.476
  182    HZ3  LYS  19           HZ3      LYS  19  16.735   6.166   4.745
  183    H    ARG  20           HN       ARG  20  14.582  -0.539   5.439
  184    HA   ARG  20           HA       ARG  20  16.228  -1.872   7.449
  185    HB2  ARG  20           HB2      ARG  20  13.582  -0.430   7.702
  186    HB3  ARG  20           HB1      ARG  20  14.480  -1.127   9.039
  187    HG2  ARG  20           HG2      ARG  20  16.358   0.415   8.478
  188    HG3  ARG  20           HG1      ARG  20  15.290   1.190   7.306
  189    HD2  ARG  20           HD2      ARG  20  15.288   2.402   9.426
  190    HD3  ARG  20           HD1      ARG  20  13.703   1.711   9.087
  191    HE   ARG  20           HE       ARG  20  15.619   0.410  10.911
  192   HH11  ARG  20          HH11      ARG  20  12.406   1.639  10.218
  193   HH12  ARG  20          HH12      ARG  20  11.719   1.022  11.685
  194   HH21  ARG  20          HH21      ARG  20  14.709  -0.403  12.838
  195   HH22  ARG  20          HH22      ARG  20  13.025  -0.144  13.170
  196    HA   PRO  21           HA       PRO  21  14.103  -5.760   6.802
  197    HB2  PRO  21           HB2      PRO  21  14.726  -6.117   9.690
  198    HB3  PRO  21           HB1      PRO  21  15.079  -7.181   8.324
  199    HG2  PRO  21           HG2      PRO  21  17.008  -5.743   9.458
  200    HG3  PRO  21           HG1      PRO  21  16.958  -5.969   7.700
  201    HD2  PRO  21           HD2      PRO  21  16.190  -3.583   9.327
  202    HD3  PRO  21           HD1      PRO  21  17.000  -3.660   7.750
  203    H    SER  22           HN       SER  22  11.954  -5.408   6.617
  204    HA   SER  22           HA       SER  22  10.412  -5.051   9.087
  205    HB2  SER  22           HB2      SER  22  10.665  -2.887   7.772
  206    HB3  SER  22           HB1      SER  22   9.739  -3.657   6.486
  207    HG   SER  22           HG       SER  22   8.013  -3.899   7.964
  Start of MODEL   18
    1    H1   LEU   1           HT1      LEU   1 -12.880   8.400   2.230
    2    H2   LEU   1           HT2      LEU   1 -12.365   6.927   1.591
    3    H3   LEU   1           HT3      LEU   1 -13.033   6.984   3.139
    4    HA   LEU   1           HA       LEU   1 -15.141   7.722   2.196
    5    HB2  LEU   1           HB2      LEU   1 -13.756   7.087  -0.417
    6    HB3  LEU   1           HB1      LEU   1 -15.477   7.333  -0.242
    7    HG   LEU   1           HG       LEU   1 -14.685   9.345  -1.112
    8   HD11  LEU   1          HD11      LEU   1 -16.177   9.679   0.784
    9   HD12  LEU   1          HD12      LEU   1 -15.022  11.000   0.622
   10   HD13  LEU   1          HD13      LEU   1 -14.785   9.772   1.863
   11   HD21  LEU   1          HD21      LEU   1 -12.302   8.951  -0.813
   12   HD22  LEU   1          HD22      LEU   1 -12.450   9.298   0.909
   13   HD23  LEU   1          HD23      LEU   1 -12.752  10.568  -0.274
   14    H    ARG   2           HN       ARG   2 -13.472   5.200   0.277
   15    HA   ARG   2           HA       ARG   2 -15.144   3.222   1.690
   16    HB2  ARG   2           HB2      ARG   2 -15.470   3.487  -0.813
   17    HB3  ARG   2           HB1      ARG   2 -13.857   2.800  -0.977
   18    HG2  ARG   2           HG2      ARG   2 -14.535   0.767   0.061
   19    HG3  ARG   2           HG1      ARG   2 -16.108   1.443   0.478
   20    HD2  ARG   2           HD2      ARG   2 -16.666   1.634  -1.858
   21    HD3  ARG   2           HD1      ARG   2 -15.082   1.009  -2.320
   22    HE   ARG   2           HE       ARG   2 -16.730  -0.686  -0.613
   23   HH11  ARG   2          HH11      ARG   2 -15.552  -0.001  -3.844
   24   HH12  ARG   2          HH12      ARG   2 -15.941  -1.577  -4.450
   25   HH21  ARG   2          HH21      ARG   2 -17.232  -2.750  -1.405
   26   HH22  ARG   2          HH22      ARG   2 -16.892  -3.146  -3.061
   27    H    LEU   3           HN       LEU   3 -14.178   1.610   2.709
   28    HA   LEU   3           HA       LEU   3 -11.524   1.774   3.453
   29    HB2  LEU   3           HB2      LEU   3 -11.919  -0.691   4.159
   30    HB3  LEU   3           HB1      LEU   3 -12.768   0.609   4.979
   31    HG   LEU   3           HG       LEU   3 -14.692   0.110   3.330
   32   HD11  LEU   3          HD11      LEU   3 -13.433  -1.305   1.796
   33   HD12  LEU   3          HD12      LEU   3 -14.793  -2.173   2.505
   34   HD13  LEU   3          HD13      LEU   3 -13.157  -2.469   3.091
   35   HD21  LEU   3          HD21      LEU   3 -15.522  -1.687   4.772
   36   HD22  LEU   3          HD22      LEU   3 -14.814  -0.357   5.688
   37   HD23  LEU   3          HD23      LEU   3 -13.909  -1.853   5.463
   38    H    ILE   4           HN       ILE   4 -12.906   0.139   0.750
   39    HA   ILE   4           HA       ILE   4 -10.867  -1.647   0.180
   40    HB   ILE   4           HB       ILE   4 -12.645  -0.132  -1.738
   41   HG12  ILE   4          HG12      ILE   4 -13.841  -1.610  -0.197
   42   HG13  ILE   4          HG11      ILE   4 -13.899  -2.242  -1.836
   43   HG21  ILE   4          HG21      ILE   4 -10.883  -2.515  -2.295
   44   HG22  ILE   4          HG22      ILE   4 -10.644  -0.879  -2.906
   45   HG23  ILE   4          HG23      ILE   4 -12.051  -1.813  -3.415
   46   HD11  ILE   4          HD11      ILE   4 -12.140  -3.213   0.399
   47   HD12  ILE   4          HD12      ILE   4 -12.086  -3.808  -1.260
   48   HD13  ILE   4          HD13      ILE   4 -13.539  -4.037  -0.287
   49    H    HIS   5           HN       HIS   5 -11.188   1.771  -0.762
   50    HA   HIS   5           HA       HIS   5  -8.727   1.854  -2.191
   51    HB2  HIS   5           HB2      HIS   5 -10.540   3.984  -1.083
   52    HB3  HIS   5           HB1      HIS   5  -8.991   4.395  -1.804
   53    HD1  HIS   5           HD1      HIS   5  -9.270   5.119  -4.134
   54    HD2  HIS   5           HD2      HIS   5 -12.026   2.182  -3.104
   55    HE1  HIS   5           HE1      HIS   5 -10.661   4.748  -6.186
   56    HE2  HIS   5           HE2      HIS   5 -12.220   2.863  -5.594
   57    H    ALA   6           HN       ALA   6  -9.635   2.211   1.131
   58    HA   ALA   6           HA       ALA   6  -7.246   3.450   2.028
   59    HB1  ALA   6           HB1      ALA   6  -9.228   1.791   3.578
   60    HB2  ALA   6           HB2      ALA   6  -9.321   3.533   3.318
   61    HB3  ALA   6           HB3      ALA   6  -7.997   2.852   4.265
   62    H    VAL   7           HN       VAL   7  -8.395   0.070   2.193
   63    HA   VAL   7           HA       VAL   7  -5.999  -0.923   3.303
   64    HB   VAL   7           HB       VAL   7  -8.030  -2.192   3.570
   65   HG11  VAL   7          HG11      VAL   7  -9.158  -1.624   1.507
   66   HG12  VAL   7          HG12      VAL   7  -9.081  -3.378   1.699
   67   HG13  VAL   7          HG13      VAL   7  -7.983  -2.564   0.584
   68   HG21  VAL   7          HG21      VAL   7  -6.055  -3.699   1.859
   69   HG22  VAL   7          HG22      VAL   7  -7.255  -4.425   2.929
   70   HG23  VAL   7          HG23      VAL   7  -5.947  -3.452   3.603
   71    H    ARG   8           HN       ARG   8  -7.076  -0.571  -0.056
   72    HA   ARG   8           HA       ARG   8  -5.007  -2.002  -1.273
   73    HB2  ARG   8           HB2      ARG   8  -6.905   0.091  -2.123
   74    HB3  ARG   8           HB1      ARG   8  -5.434  -0.034  -3.081
   75    HG2  ARG   8           HG2      ARG   8  -7.247  -1.374  -4.019
   76    HG3  ARG   8           HG1      ARG   8  -5.882  -2.370  -3.517
   77    HD2  ARG   8           HD2      ARG   8  -7.051  -2.967  -1.467
   78    HD3  ARG   8           HD1      ARG   8  -8.407  -1.940  -1.930
   79    HE   ARG   8           HE       ARG   8  -8.042  -3.724  -4.005
   80   HH11  ARG   8          HH11      ARG   8  -8.800  -3.904  -0.598
   81   HH12  ARG   8          HH12      ARG   8  -9.734  -5.356  -0.745
   82   HH21  ARG   8          HH21      ARG   8  -9.271  -5.629  -4.219
   83   HH22  ARG   8          HH22      ARG   8 -10.015  -6.334  -2.820
   84    H    GLY   9           HN       GLY   9  -5.204   1.526  -0.832
   85    HA2  GLY   9           HA2      GLY   9  -2.580   2.144  -1.488
   86    HA3  GLY   9           HA1      GLY   9  -3.570   3.077  -0.374
   87    H    TYR  10           HN       TYR  10  -3.903   0.939   1.515
   88    HA   TYR  10           HA       TYR  10  -1.724   1.271   3.197
   89    HB2  TYR  10           HB2      TYR  10  -3.775   0.574   4.149
   90    HB3  TYR  10           HB1      TYR  10  -3.899  -0.807   3.070
   91    HD1  TYR  10           HD1      TYR  10  -3.126  -2.903   3.731
   92    HD2  TYR  10           HD2      TYR  10  -1.918   0.541   5.917
   93    HE1  TYR  10           HE1      TYR  10  -2.135  -4.351   5.447
   94    HE2  TYR  10           HE2      TYR  10  -0.924  -0.898   7.642
   95    HH   TYR  10           HH       TYR  10  -0.359  -4.189   7.196
   96    H    TRP  11           HN       TRP  11  -2.514  -1.756   1.383
   97    HA   TRP  11           HA       TRP  11   0.014  -2.836   2.148
   98    HB2  TRP  11           HB2      TRP  11  -0.545  -4.801   0.861
   99    HB3  TRP  11           HB1      TRP  11  -1.921  -4.292   1.817
  100    HD1  TRP  11           HD1      TRP  11  -4.112  -3.609   0.558
  101    HE1  TRP  11           HE1      TRP  11  -4.889  -3.900  -1.880
  102    HE3  TRP  11           HE3      TRP  11   0.378  -4.752  -1.594
  103    HZ2  TRP  11           HZ2      TRP  11  -3.747  -4.528  -4.383
  104    HZ3  TRP  11           HZ3      TRP  11   0.451  -5.194  -4.014
  105    HH2  TRP  11           HH2      TRP  11  -1.571  -5.083  -5.379
  106    H    LEU  12           HN       LEU  12  -1.093  -1.030  -0.573
  107    HA   LEU  12           HA       LEU  12   0.990  -1.679  -2.371
  108    HB2  LEU  12           HB2      LEU  12  -0.758   0.757  -2.099
  109    HB3  LEU  12           HB1      LEU  12   0.374   0.531  -3.413
  110    HG   LEU  12           HG       LEU  12  -1.842  -1.424  -2.830
  111   HD11  LEU  12          HD11      LEU  12  -3.096  -0.308  -4.614
  112   HD12  LEU  12          HD12      LEU  12  -1.831   0.915  -4.743
  113   HD13  LEU  12          HD13      LEU  12  -2.789   0.795  -3.270
  114   HD21  LEU  12          HD21      LEU  12  -1.436  -2.100  -5.142
  115   HD22  LEU  12          HD22      LEU  12   0.031  -2.250  -4.178
  116   HD23  LEU  12          HD23      LEU  12  -0.161  -0.890  -5.286
  117    H    THR  13           HN       THR  13   0.763   0.577   0.286
  118    HA   THR  13           HA       THR  13   3.331   1.750  -0.417
  119    HB   THR  13           HB       THR  13   2.947   3.182   1.595
  120    HG1  THR  13           HG1      THR  13   0.314   2.126   1.645
  121   HG21  THR  13          HG21      THR  13   1.074   4.451   0.611
  122   HG22  THR  13          HG22      THR  13   0.701   3.070  -0.426
  123   HG23  THR  13          HG23      THR  13   2.231   3.928  -0.614
  124    H    ASN  14           HN       ASN  14   2.211  -0.902   1.187
  125    HA   ASN  14           HA       ASN  14   4.286  -0.988   3.237
  126    HB2  ASN  14           HB2      ASN  14   1.868  -2.620   2.584
  127    HB3  ASN  14           HB1      ASN  14   3.114  -3.296   3.624
  128   HD21  ASN  14          HD21      ASN  14   2.310   0.109   3.600
  129   HD22  ASN  14          HD22      ASN  14   1.600   0.141   5.172
  130    H    LYS  15           HN       LYS  15   3.081  -3.200   0.713
  131    HA   LYS  15           HA       LYS  15   5.313  -4.947   0.950
  132    HB2  LYS  15           HB2      LYS  15   3.326  -4.750  -1.318
  133    HB3  LYS  15           HB1      LYS  15   4.345  -6.129  -0.935
  134    HG2  LYS  15           HG2      LYS  15   2.118  -5.046   0.775
  135    HG3  LYS  15           HG1      LYS  15   2.055  -6.503  -0.221
  136    HD2  LYS  15           HD2      LYS  15   3.881  -7.471   1.120
  137    HD3  LYS  15           HD1      LYS  15   3.879  -6.029   2.135
  138    HE2  LYS  15           HE2      LYS  15   2.635  -7.775   3.232
  139    HE3  LYS  15           HE1      LYS  15   1.531  -6.495   2.735
  140    HZ1  LYS  15           HZ1      LYS  15   0.638  -8.693   2.265
  141    HZ2  LYS  15           HZ2      LYS  15   1.967  -9.049   1.283
  142    HZ3  LYS  15           HZ3      LYS  15   0.888  -7.830   0.835
  143    H    VAL  16           HN       VAL  16   4.668  -2.133  -0.874
  144    HA   VAL  16           HA       VAL  16   6.762  -2.727  -2.829
  145    HB   VAL  16           HB       VAL  16   4.958  -0.332  -2.901
  146   HG11  VAL  16          HG11      VAL  16   6.794  -0.386  -4.484
  147   HG12  VAL  16          HG12      VAL  16   5.253  -0.562  -5.324
  148   HG13  VAL  16          HG13      VAL  16   6.279  -1.972  -5.058
  149   HG21  VAL  16          HG21      VAL  16   3.469  -2.199  -2.536
  150   HG22  VAL  16          HG22      VAL  16   4.252  -3.112  -3.835
  151   HG23  VAL  16          HG23      VAL  16   3.338  -1.650  -4.212
  152    HA   PRO  17           HA       PRO  17   9.443   0.016  -0.473
  153    HB2  PRO  17           HB2      PRO  17  11.128  -0.121  -2.862
  154    HB3  PRO  17           HB1      PRO  17  11.504  -0.586  -1.205
  155    HG2  PRO  17           HG2      PRO  17  11.145  -2.414  -3.149
  156    HG3  PRO  17           HG1      PRO  17  10.681  -2.717  -1.466
  157    HD2  PRO  17           HD2      PRO  17   8.968  -2.010  -3.809
  158    HD3  PRO  17           HD1      PRO  17   8.639  -3.117  -2.460
  159    H    ILE  18           HN       ILE  18   9.197   2.139  -0.408
  160    HA   ILE  18           HA       ILE  18   8.305   3.532  -2.800
  161    HB   ILE  18           HB       ILE  18   8.498   4.594   0.025
  162   HG12  ILE  18          HG12      ILE  18   6.097   3.475  -1.445
  163   HG13  ILE  18          HG11      ILE  18   6.971   2.646  -0.162
  164   HG21  ILE  18          HG21      ILE  18   6.916   6.300  -0.786
  165   HG22  ILE  18          HG22      ILE  18   7.038   5.620  -2.408
  166   HG23  ILE  18          HG23      ILE  18   8.452   6.349  -1.651
  167   HD11  ILE  18          HD11      ILE  18   5.453   5.228   0.112
  168   HD12  ILE  18          HD12      ILE  18   6.338   4.414   1.402
  169   HD13  ILE  18          HD13      ILE  18   4.930   3.641   0.674
  170    H    LYS  19           HN       LYS  19  10.416   3.348  -3.795
  171    HA   LYS  19           HA       LYS  19  12.640   4.751  -2.663
  172    HB2  LYS  19           HB2      LYS  19  13.033   2.803  -4.042
  173    HB3  LYS  19           HB1      LYS  19  12.164   3.529  -5.383
  174    HG2  LYS  19           HG2      LYS  19  14.538   3.637  -5.770
  175    HG3  LYS  19           HG1      LYS  19  13.875   5.257  -5.546
  176    HD2  LYS  19           HD2      LYS  19  14.663   5.266  -3.230
  177    HD3  LYS  19           HD1      LYS  19  15.310   3.637  -3.445
  178    HE2  LYS  19           HE2      LYS  19  16.816   4.469  -5.182
  179    HE3  LYS  19           HE1      LYS  19  16.171   6.094  -4.965
  180    HZ1  LYS  19           HZ1      LYS  19  18.273   5.748  -3.788
  181    HZ2  LYS  19           HZ2      LYS  19  17.559   4.528  -2.863
  182    HZ3  LYS  19           HZ3      LYS  19  17.011   6.118  -2.727
  183    H    ARG  20           HN       ARG  20  10.073   5.431  -4.923
  184    HA   ARG  20           HA       ARG  20  11.272   7.926  -5.769
  185    HB2  ARG  20           HB2      ARG  20   9.273   8.222  -7.132
  186    HB3  ARG  20           HB1      ARG  20   9.949   6.620  -7.376
  187    HG2  ARG  20           HG2      ARG  20   8.236   5.613  -6.062
  188    HG3  ARG  20           HG1      ARG  20   7.648   7.188  -5.527
  189    HD2  ARG  20           HD2      ARG  20   7.603   6.155  -8.360
  190    HD3  ARG  20           HD1      ARG  20   6.219   6.234  -7.271
  191    HE   ARG  20           HE       ARG  20   7.608   8.737  -7.806
  192   HH11  ARG  20          HH11      ARG  20   4.881   6.659  -8.531
  193   HH12  ARG  20          HH12      ARG  20   3.946   7.933  -9.246
  194   HH21  ARG  20          HH21      ARG  20   6.381  10.410  -8.734
  195   HH22  ARG  20          HH22      ARG  20   4.799  10.071  -9.366
  196    HA   PRO  21           HA       PRO  21   9.484  10.384  -2.480
  197    HB2  PRO  21           HB2      PRO  21   9.651  12.566  -4.472
  198    HB3  PRO  21           HB1      PRO  21  10.357  12.465  -2.857
  199    HG2  PRO  21           HG2      PRO  21  11.870  12.249  -5.055
  200    HG3  PRO  21           HG1      PRO  21  12.213  11.304  -3.595
  201    HD2  PRO  21           HD2      PRO  21  10.912  10.447  -6.146
  202    HD3  PRO  21           HD1      PRO  21  12.052   9.569  -5.106
  203    H    SER  22           HN       SER  22   7.382   9.872  -2.259
  204    HA   SER  22           HA       SER  22   5.536  10.485  -4.438
  205    HB2  SER  22           HB2      SER  22   5.054   8.854  -1.935
  206    HB3  SER  22           HB1      SER  22   3.997   8.963  -3.344
  207    HG   SER  22           HG       SER  22   6.677   8.111  -3.610
  Start of MODEL   19
    1    H1   LEU   1           HT1      LEU   1 -11.575   8.983   2.935
    2    H2   LEU   1           HT2      LEU   1 -11.021   7.454   3.394
    3    H3   LEU   1           HT3      LEU   1 -12.565   7.966   3.851
    4    HA   LEU   1           HA       LEU   1 -13.290   7.994   1.576
    5    HB2  LEU   1           HB2      LEU   1 -10.916   8.488   0.771
    6    HB3  LEU   1           HB1      LEU   1 -10.619   6.768   0.907
    7    HG   LEU   1           HG       LEU   1 -12.364   6.328  -0.762
    8   HD11  LEU   1          HD11      LEU   1 -13.308   8.209  -2.042
    9   HD12  LEU   1          HD12      LEU   1 -12.579   9.331  -0.892
   10   HD13  LEU   1          HD13      LEU   1 -13.826   8.207  -0.358
   11   HD21  LEU   1          HD21      LEU   1 -10.058   6.612  -1.481
   12   HD22  LEU   1          HD22      LEU   1 -10.313   8.350  -1.643
   13   HD23  LEU   1          HD23      LEU   1 -11.179   7.230  -2.695
   14    H    ARG   2           HN       ARG   2 -13.640   5.846   0.260
   15    HA   ARG   2           HA       ARG   2 -14.659   3.852   1.858
   16    HB2  ARG   2           HB2      ARG   2 -14.890   4.213  -0.679
   17    HB3  ARG   2           HB1      ARG   2 -13.417   3.269  -0.815
   18    HG2  ARG   2           HG2      ARG   2 -15.059   1.689  -1.150
   19    HG3  ARG   2           HG1      ARG   2 -14.697   1.505   0.566
   20    HD2  ARG   2           HD2      ARG   2 -16.941   3.208  -0.497
   21    HD3  ARG   2           HD1      ARG   2 -17.138   1.525  -0.025
   22    HE   ARG   2           HE       ARG   2 -16.366   2.280   2.243
   23   HH11  ARG   2          HH11      ARG   2 -17.892   4.524   0.021
   24   HH12  ARG   2          HH12      ARG   2 -18.592   5.489   1.281
   25   HH21  ARG   2          HH21      ARG   2 -17.292   3.546   3.897
   26   HH22  ARG   2          HH22      ARG   2 -18.244   4.935   3.486
   27    H    LEU   3           HN       LEU   3 -13.909   2.036   2.796
   28    HA   LEU   3           HA       LEU   3 -11.232   1.875   3.526
   29    HB2  LEU   3           HB2      LEU   3 -11.872  -0.501   4.244
   30    HB3  LEU   3           HB1      LEU   3 -12.646   0.860   5.040
   31    HG   LEU   3           HG       LEU   3 -14.544   0.452   3.291
   32   HD11  LEU   3          HD11      LEU   3 -14.778  -1.872   2.621
   33   HD12  LEU   3          HD12      LEU   3 -13.206  -2.247   3.325
   34   HD13  LEU   3          HD13      LEU   3 -13.315  -1.167   1.935
   35   HD21  LEU   3          HD21      LEU   3 -14.010  -1.396   5.598
   36   HD22  LEU   3          HD22      LEU   3 -15.573  -1.175   4.815
   37   HD23  LEU   3          HD23      LEU   3 -14.815   0.170   5.666
   38    H    ILE   4           HN       ILE   4 -12.889   0.484   0.825
   39    HA   ILE   4           HA       ILE   4 -11.087  -1.532   0.185
   40    HB   ILE   4           HB       ILE   4 -12.757   0.189  -1.654
   41   HG12  ILE   4          HG12      ILE   4 -14.045  -1.174  -0.076
   42   HG13  ILE   4          HG11      ILE   4 -14.243  -1.761  -1.720
   43   HG21  ILE   4          HG21      ILE   4 -11.274  -2.357  -2.296
   44   HG22  ILE   4          HG22      ILE   4 -10.898  -0.746  -2.908
   45   HG23  ILE   4          HG23      ILE   4 -12.410  -1.531  -3.363
   46   HD11  ILE   4          HD11      ILE   4 -12.593  -3.531  -1.247
   47   HD12  ILE   4          HD12      ILE   4 -14.023  -3.620  -0.221
   48   HD13  ILE   4          HD13      ILE   4 -12.516  -2.971   0.423
   49    H    HIS   5           HN       HIS   5 -11.097   1.898  -0.726
   50    HA   HIS   5           HA       HIS   5  -8.647   1.766  -2.177
   51    HB2  HIS   5           HB2      HIS   5 -10.258   4.043  -1.044
   52    HB3  HIS   5           HB1      HIS   5  -8.681   4.319  -1.771
   53    HD1  HIS   5           HD1      HIS   5  -8.923   5.100  -4.089
   54    HD2  HIS   5           HD2      HIS   5 -11.890   2.369  -3.073
   55    HE1  HIS   5           HE1      HIS   5 -10.348   4.851  -6.140
   56    HE2  HIS   5           HE2      HIS   5 -12.211   3.301  -5.461
   57    H    ALA   6           HN       ALA   6  -9.524   2.278   1.156
   58    HA   ALA   6           HA       ALA   6  -7.050   3.313   2.046
   59    HB1  ALA   6           HB1      ALA   6  -9.119   1.805   3.635
   60    HB2  ALA   6           HB2      ALA   6  -9.146   3.538   3.312
   61    HB3  ALA   6           HB3      ALA   6  -7.849   2.843   4.283
   62    H    VAL   7           HN       VAL   7  -8.375  -0.004   2.018
   63    HA   VAL   7           HA       VAL   7  -6.052  -1.140   3.202
   64    HB   VAL   7           HB       VAL   7  -8.076  -2.388   3.417
   65   HG11  VAL   7          HG11      VAL   7  -9.269  -1.632   1.465
   66   HG12  VAL   7          HG12      VAL   7  -9.221  -3.396   1.486
   67   HG13  VAL   7          HG13      VAL   7  -8.149  -2.497   0.413
   68   HG21  VAL   7          HG21      VAL   7  -7.415  -4.583   2.593
   69   HG22  VAL   7          HG22      VAL   7  -6.022  -3.708   3.233
   70   HG23  VAL   7          HG23      VAL   7  -6.262  -3.831   1.488
   71    H    ARG   8           HN       ARG   8  -7.096  -0.692  -0.153
   72    HA   ARG   8           HA       ARG   8  -5.001  -2.102  -1.365
   73    HB2  ARG   8           HB2      ARG   8  -6.892   0.019  -2.219
   74    HB3  ARG   8           HB1      ARG   8  -5.451  -0.206  -3.200
   75    HG2  ARG   8           HG2      ARG   8  -7.440  -1.471  -3.987
   76    HG3  ARG   8           HG1      ARG   8  -6.022  -2.466  -3.661
   77    HD2  ARG   8           HD2      ARG   8  -6.941  -3.199  -1.572
   78    HD3  ARG   8           HD1      ARG   8  -8.289  -2.075  -1.716
   79    HE   ARG   8           HE       ARG   8  -8.402  -3.685  -3.952
   80   HH11  ARG   8          HH11      ARG   8  -8.491  -4.172  -0.490
   81   HH12  ARG   8          HH12      ARG   8  -9.547  -5.542  -0.576
   82   HH21  ARG   8          HH21      ARG   8  -9.802  -5.496  -4.068
   83   HH22  ARG   8          HH22      ARG   8 -10.293  -6.289  -2.606
   84    H    GLY   9           HN       GLY   9  -5.278   1.390  -0.756
   85    HA2  GLY   9           HA2      GLY   9  -2.668   2.081  -1.470
   86    HA3  GLY   9           HA1      GLY   9  -3.673   2.977  -0.337
   87    H    TYR  10           HN       TYR  10  -3.969   0.800   1.518
   88    HA   TYR  10           HA       TYR  10  -1.817   1.116   3.221
   89    HB2  TYR  10           HB2      TYR  10  -3.813   0.294   4.157
   90    HB3  TYR  10           HB1      TYR  10  -3.933  -1.010   2.988
   91    HD1  TYR  10           HD1      TYR  10  -1.745   0.179   5.774
   92    HD2  TYR  10           HD2      TYR  10  -3.314  -3.135   3.615
   93    HE1  TYR  10           HE1      TYR  10  -0.686  -1.357   7.375
   94    HE2  TYR  10           HE2      TYR  10  -2.256  -4.682   5.208
   95    HH   TYR  10           HH       TYR  10  -1.042  -3.709   8.176
   96    H    TRP  11           HN       TRP  11  -2.487  -1.911   1.371
   97    HA   TRP  11           HA       TRP  11   0.072  -2.901   2.094
   98    HB2  TRP  11           HB2      TRP  11  -0.396  -4.830   0.725
   99    HB3  TRP  11           HB1      TRP  11  -1.813  -4.404   1.659
  100    HD1  TRP  11           HD1      TRP  11  -3.978  -3.620   0.340
  101    HE1  TRP  11           HE1      TRP  11  -4.678  -3.899  -2.120
  102    HE3  TRP  11           HE3      TRP  11   0.561  -4.834  -1.658
  103    HZ2  TRP  11           HZ2      TRP  11  -3.458  -4.547  -4.585
  104    HZ3  TRP  11           HZ3      TRP  11   0.711  -5.278  -4.074
  105    HH2  TRP  11           HH2      TRP  11  -1.260  -5.137  -5.506
  106    H    LEU  12           HN       LEU  12  -1.118  -1.180  -0.698
  107    HA   LEU  12           HA       LEU  12   1.024  -1.647  -2.435
  108    HB2  LEU  12           HB2      LEU  12  -0.869   0.671  -2.160
  109    HB3  LEU  12           HB1      LEU  12   0.322   0.572  -3.439
  110    HG   LEU  12           HG       LEU  12  -1.784  -1.534  -2.977
  111   HD11  LEU  12          HD11      LEU  12  -2.992  -0.529  -4.847
  112   HD12  LEU  12          HD12      LEU  12  -1.808   0.776  -4.923
  113   HD13  LEU  12          HD13      LEU  12  -2.846   0.609  -3.507
  114   HD21  LEU  12          HD21      LEU  12  -1.218  -2.181  -5.275
  115   HD22  LEU  12          HD22      LEU  12   0.179  -2.292  -4.206
  116   HD23  LEU  12          HD23      LEU  12   0.025  -0.933  -5.318
  117    H    THR  13           HN       THR  13   0.679   0.626   0.227
  118    HA   THR  13           HA       THR  13   3.231   1.881  -0.414
  119    HB   THR  13           HB       THR  13   2.791   3.232   1.659
  120    HG1  THR  13           HG1      THR  13   0.173   2.123   1.567
  121   HG21  THR  13          HG21      THR  13   0.592   3.224  -0.405
  122   HG22  THR  13          HG22      THR  13   2.145   4.046  -0.556
  123   HG23  THR  13          HG23      THR  13   0.992   4.558   0.676
  124    H    ASN  14           HN       ASN  14   2.241  -0.858   1.166
  125    HA   ASN  14           HA       ASN  14   4.172  -0.643   3.359
  126    HB2  ASN  14           HB2      ASN  14   1.656  -2.068   2.914
  127    HB3  ASN  14           HB1      ASN  14   2.863  -2.957   3.838
  128   HD21  ASN  14          HD21      ASN  14   0.943  -0.034   3.707
  129   HD22  ASN  14          HD22      ASN  14   1.063   0.350   5.391
  130    H    LYS  15           HN       LYS  15   3.379  -2.699   0.595
  131    HA   LYS  15           HA       LYS  15   5.268  -4.730   1.110
  132    HB2  LYS  15           HB2      LYS  15   4.348  -3.754  -1.600
  133    HB3  LYS  15           HB1      LYS  15   5.049  -5.321  -1.235
  134    HG2  LYS  15           HG2      LYS  15   2.397  -4.301  -0.250
  135    HG3  LYS  15           HG1      LYS  15   2.645  -5.471  -1.545
  136    HD2  LYS  15           HD2      LYS  15   3.511  -5.874   1.317
  137    HD3  LYS  15           HD1      LYS  15   2.008  -6.492   0.632
  138    HE2  LYS  15           HE2      LYS  15   3.318  -7.771  -1.017
  139    HE3  LYS  15           HE1      LYS  15   4.802  -7.185  -0.266
  140    HZ1  LYS  15           HZ1      LYS  15   2.729  -8.848   1.055
  141    HZ2  LYS  15           HZ2      LYS  15   4.136  -8.269   1.791
  142    HZ3  LYS  15           HZ3      LYS  15   4.243  -9.383   0.528
  143    H    VAL  16           HN       VAL  16   5.585  -1.523   0.190
  144    HA   VAL  16           HA       VAL  16   8.144  -1.739  -1.141
  145    HB   VAL  16           HB       VAL  16   7.052   0.856  -0.168
  146   HG11  VAL  16          HG11      VAL  16   8.310  -0.008  -2.766
  147   HG12  VAL  16          HG12      VAL  16   9.122   0.813  -1.434
  148   HG13  VAL  16          HG13      VAL  16   7.857   1.643  -2.340
  149   HG21  VAL  16          HG21      VAL  16   5.494   0.985  -2.072
  150   HG22  VAL  16          HG22      VAL  16   5.033  -0.257  -0.900
  151   HG23  VAL  16          HG23      VAL  16   5.810  -0.715  -2.422
  152    HA   PRO  17           HA       PRO  17  10.141  -1.418   2.900
  153    HB2  PRO  17           HB2      PRO  17  12.688  -1.649   1.964
  154    HB3  PRO  17           HB1      PRO  17  11.632  -3.036   2.247
  155    HG2  PRO  17           HG2      PRO  17  12.315  -1.663  -0.311
  156    HG3  PRO  17           HG1      PRO  17  12.090  -3.391   0.010
  157    HD2  PRO  17           HD2      PRO  17  10.200  -1.812  -1.169
  158    HD3  PRO  17           HD1      PRO  17   9.812  -3.259  -0.218
  159    H    ILE  18           HN       ILE  18  10.240   0.559   3.752
  160    HA   ILE  18           HA       ILE  18  11.340   2.749   2.151
  161    HB   ILE  18           HB       ILE  18   9.852   2.942   4.780
  162   HG12  ILE  18          HG12      ILE  18   8.802   3.327   1.965
  163   HG13  ILE  18          HG11      ILE  18   8.445   1.947   2.998
  164   HG21  ILE  18          HG21      ILE  18   9.547   5.299   4.123
  165   HG22  ILE  18          HG22      ILE  18  10.545   5.016   2.698
  166   HG23  ILE  18          HG23      ILE  18  11.249   4.872   4.307
  167   HD11  ILE  18          HD11      ILE  18   7.329   3.421   4.588
  168   HD12  ILE  18          HD12      ILE  18   6.612   3.541   2.980
  169   HD13  ILE  18          HD13      ILE  18   7.695   4.807   3.561
  170    H    LYS  19           HN       LYS  19  13.514   1.940   2.464
  171    HA   LYS  19           HA       LYS  19  14.573   2.217   5.177
  172    HB2  LYS  19           HB2      LYS  19  16.076   1.391   2.691
  173    HB3  LYS  19           HB1      LYS  19  16.575   1.175   4.360
  174    HG2  LYS  19           HG2      LYS  19  14.705  -0.383   4.700
  175    HG3  LYS  19           HG1      LYS  19  14.265  -0.199   3.002
  176    HD2  LYS  19           HD2      LYS  19  15.535  -2.206   3.190
  177    HD3  LYS  19           HD1      LYS  19  16.571  -1.005   2.421
  178    HE2  LYS  19           HE2      LYS  19  17.678  -0.572   4.540
  179    HE3  LYS  19           HE1      LYS  19  16.610  -1.713   5.353
  180    HZ1  LYS  19           HZ1      LYS  19  18.762  -2.695   4.856
  181    HZ2  LYS  19           HZ2      LYS  19  18.550  -2.391   3.206
  182    HZ3  LYS  19           HZ3      LYS  19  17.535  -3.486   4.000
  183    H    ARG  20           HN       ARG  20  14.389   3.852   2.168
  184    HA   ARG  20           HA       ARG  20  16.416   5.803   2.959
  185    HB2  ARG  20           HB2      ARG  20  14.765   5.639   0.436
  186    HB3  ARG  20           HB1      ARG  20  16.079   6.761   0.731
  187    HG2  ARG  20           HG2      ARG  20  17.642   4.894   0.864
  188    HG3  ARG  20           HG1      ARG  20  16.323   3.772   0.553
  189    HD2  ARG  20           HD2      ARG  20  17.595   4.232  -1.480
  190    HD3  ARG  20           HD1      ARG  20  15.933   4.801  -1.615
  191    HE   ARG  20           HE       ARG  20  17.780   6.824  -0.739
  192   HH11  ARG  20          HH11      ARG  20  16.400   5.220  -3.521
  193   HH12  ARG  20          HH12      ARG  20  16.688   6.552  -4.595
  194   HH21  ARG  20          HH21      ARG  20  18.166   8.587  -2.152
  195   HH22  ARG  20          HH22      ARG  20  17.677   8.472  -3.812
  196    HA   PRO  21           HA       PRO  21  13.196   8.577   4.255
  197    HB2  PRO  21           HB2      PRO  21  14.656  10.850   4.438
  198    HB3  PRO  21           HB1      PRO  21  14.785   9.533   5.604
  199    HG2  PRO  21           HG2      PRO  21  16.656  10.352   3.476
  200    HG3  PRO  21           HG1      PRO  21  16.977   9.487   4.986
  201    HD2  PRO  21           HD2      PRO  21  16.748   8.381   2.382
  202    HD3  PRO  21           HD1      PRO  21  16.903   7.498   3.908
  203    H    SER  22           HN       SER  22  11.642   9.329   2.999
  204    HA   SER  22           HA       SER  22  10.494  10.394   1.368
  205    HB2  SER  22           HB2      SER  22  11.794  12.362   2.223
  206    HB3  SER  22           HB1      SER  22  12.998  12.052   0.976
  207    HG   SER  22           HG       SER  22  10.247  12.612   0.517
  Start of MODEL   20
    1    H1   LEU   1           HT1      LEU   1 -14.627   8.526  -0.233
    2    H2   LEU   1           HT2      LEU   1 -13.279   7.735  -0.865
    3    H3   LEU   1           HT3      LEU   1 -13.103   9.251  -0.141
    4    HA   LEU   1           HA       LEU   1 -12.319   7.575   1.344
    5    HB2  LEU   1           HB2      LEU   1 -15.020   8.599   2.237
    6    HB3  LEU   1           HB1      LEU   1 -13.749   8.011   3.287
    7    HG   LEU   1           HG       LEU   1 -12.360   9.963   2.216
    8   HD11  LEU   1          HD11      LEU   1 -13.728  11.908   1.684
    9   HD12  LEU   1          HD12      LEU   1 -15.186  10.928   1.833
   10   HD13  LEU   1          HD13      LEU   1 -14.023  10.589   0.552
   11   HD21  LEU   1          HD21      LEU   1 -14.532  10.425   4.250
   12   HD22  LEU   1          HD22      LEU   1 -13.102  11.432   4.018
   13   HD23  LEU   1          HD23      LEU   1 -12.928   9.767   4.573
   14    H    ARG   2           HN       ARG   2 -12.321   5.480   0.632
   15    HA   ARG   2           HA       ARG   2 -14.613   3.879   1.504
   16    HB2  ARG   2           HB2      ARG   2 -14.674   4.312  -1.019
   17    HB3  ARG   2           HB1      ARG   2 -13.214   3.335  -1.100
   18    HG2  ARG   2           HG2      ARG   2 -15.141   1.985  -1.638
   19    HG3  ARG   2           HG1      ARG   2 -14.430   1.446  -0.115
   20    HD2  ARG   2           HD2      ARG   2 -16.875   1.519   0.010
   21    HD3  ARG   2           HD1      ARG   2 -16.138   2.663   1.127
   22    HE   ARG   2           HE       ARG   2 -16.824   3.810  -1.417
   23   HH11  ARG   2          HH11      ARG   2 -18.013   3.031   1.779
   24   HH12  ARG   2          HH12      ARG   2 -19.268   4.228   1.741
   25   HH21  ARG   2          HH21      ARG   2 -18.474   5.381  -1.475
   26   HH22  ARG   2          HH22      ARG   2 -19.533   5.567  -0.112
   27    H    LEU   3           HN       LEU   3 -14.022   2.052   2.494
   28    HA   LEU   3           HA       LEU   3 -11.425   1.763   3.411
   29    HB2  LEU   3           HB2      LEU   3 -12.215  -0.609   4.024
   30    HB3  LEU   3           HB1      LEU   3 -12.957   0.774   4.811
   31    HG   LEU   3           HG       LEU   3 -14.780   0.525   2.972
   32   HD11  LEU   3          HD11      LEU   3 -13.594  -2.243   2.937
   33   HD12  LEU   3          HD12      LEU   3 -13.553  -1.094   1.603
   34   HD13  LEU   3          HD13      LEU   3 -15.095  -1.738   2.163
   35   HD21  LEU   3          HD21      LEU   3 -15.966  -1.099   4.369
   36   HD22  LEU   3          HD22      LEU   3 -15.157   0.142   5.326
   37   HD23  LEU   3          HD23      LEU   3 -14.453  -1.470   5.195
   38    H    ILE   4           HN       ILE   4 -12.914   0.428   0.590
   39    HA   ILE   4           HA       ILE   4 -11.068  -1.583   0.056
   40    HB   ILE   4           HB       ILE   4 -12.593   0.158  -1.889
   41   HG12  ILE   4          HG12      ILE   4 -14.015  -1.186  -0.414
   42   HG13  ILE   4          HG11      ILE   4 -14.097  -1.771  -2.069
   43   HG21  ILE   4          HG21      ILE   4 -10.652  -0.807  -2.999
   44   HG22  ILE   4          HG22      ILE   4 -12.141  -1.552  -3.579
   45   HG23  ILE   4          HG23      ILE   4 -11.113  -2.413  -2.434
   46   HD11  ILE   4          HD11      ILE   4 -12.526  -3.571  -1.483
   47   HD12  ILE   4          HD12      ILE   4 -14.019  -3.627  -0.546
   48   HD13  ILE   4          HD13      ILE   4 -12.540  -3.005   0.187
   49    H    HIS   5           HN       HIS   5 -11.030   1.862  -0.785
   50    HA   HIS   5           HA       HIS   5  -8.481   1.701  -2.089
   51    HB2  HIS   5           HB2      HIS   5 -10.162   4.038  -1.181
   52    HB3  HIS   5           HB1      HIS   5  -8.585   4.241  -1.934
   53    HD1  HIS   5           HD1      HIS   5  -8.638   4.483  -4.388
   54    HD2  HIS   5           HD2      HIS   5 -11.997   2.507  -2.959
   55    HE1  HIS   5           HE1      HIS   5 -10.114   4.130  -6.384
   56    HE2  HIS   5           HE2      HIS   5 -12.036   2.745  -5.532
   57    H    ALA   6           HN       ALA   6  -9.627   2.215   1.135
   58    HA   ALA   6           HA       ALA   6  -7.282   3.351   2.229
   59    HB1  ALA   6           HB1      ALA   6  -8.203   2.740   4.390
   60    HB2  ALA   6           HB2      ALA   6  -9.376   1.680   3.610
   61    HB3  ALA   6           HB3      ALA   6  -9.461   3.425   3.360
   62    H    VAL   7           HN       VAL   7  -8.463  -0.025   2.113
   63    HA   VAL   7           HA       VAL   7  -6.097  -1.039   3.333
   64    HB   VAL   7           HB       VAL   7  -8.141  -2.309   3.523
   65   HG11  VAL   7          HG11      VAL   7  -7.996  -2.614   0.534
   66   HG12  VAL   7          HG12      VAL   7  -9.222  -1.736   1.452
   67   HG13  VAL   7          HG13      VAL   7  -9.101  -3.490   1.591
   68   HG21  VAL   7          HG21      VAL   7  -6.043  -3.550   3.604
   69   HG22  VAL   7          HG22      VAL   7  -6.109  -3.792   1.856
   70   HG23  VAL   7          HG23      VAL   7  -7.330  -4.528   2.897
   71    H    ARG   8           HN       ARG   8  -7.147  -0.657  -0.033
   72    HA   ARG   8           HA       ARG   8  -5.038  -1.995  -1.265
   73    HB2  ARG   8           HB2      ARG   8  -6.996   0.040  -2.065
   74    HB3  ARG   8           HB1      ARG   8  -5.493   0.089  -2.977
   75    HG2  ARG   8           HG2      ARG   8  -7.078  -1.298  -4.127
   76    HG3  ARG   8           HG1      ARG   8  -5.768  -2.297  -3.503
   77    HD2  ARG   8           HD2      ARG   8  -7.181  -2.928  -1.594
   78    HD3  ARG   8           HD1      ARG   8  -8.499  -1.970  -2.271
   79    HE   ARG   8           HE       ARG   8  -7.564  -3.853  -4.167
   80   HH11  ARG   8          HH11      ARG   8  -9.469  -3.636  -1.235
   81   HH12  ARG   8          HH12      ARG   8 -10.403  -5.050  -1.588
   82   HH21  ARG   8          HH21      ARG   8  -8.779  -5.713  -4.627
   83   HH22  ARG   8          HH22      ARG   8 -10.006  -6.238  -3.520
   84    H    GLY   9           HN       GLY   9  -5.295   1.495  -0.602
   85    HA2  GLY   9           HA2      GLY   9  -2.690   2.169  -1.352
   86    HA3  GLY   9           HA1      GLY   9  -3.674   3.077  -0.214
   87    H    TYR  10           HN       TYR  10  -3.898   0.757   1.589
   88    HA   TYR  10           HA       TYR  10  -1.704   1.195   3.264
   89    HB2  TYR  10           HB2      TYR  10  -3.617   0.375   4.335
   90    HB3  TYR  10           HB1      TYR  10  -3.844  -0.912   3.157
   91    HD1  TYR  10           HD1      TYR  10  -3.170  -3.063   3.667
   92    HD2  TYR  10           HD2      TYR  10  -1.488   0.186   5.845
   93    HE1  TYR  10           HE1      TYR  10  -2.018  -4.655   5.146
   94    HE2  TYR  10           HE2      TYR  10  -0.335  -1.402   7.331
   95    HH   TYR  10           HH       TYR  10  -0.649  -3.787   8.074
   96    H    TRP  11           HN       TRP  11  -2.423  -1.818   1.416
   97    HA   TRP  11           HA       TRP  11   0.156  -2.824   2.097
   98    HB2  TRP  11           HB2      TRP  11  -0.386  -4.778   0.776
   99    HB3  TRP  11           HB1      TRP  11  -1.746  -4.331   1.784
  100    HD1  TRP  11           HD1      TRP  11  -3.977  -3.545   0.574
  101    HE1  TRP  11           HE1      TRP  11  -4.817  -3.867  -1.834
  102    HE3  TRP  11           HE3      TRP  11   0.429  -4.833  -1.653
  103    HZ2  TRP  11           HZ2      TRP  11  -3.749  -4.573  -4.345
  104    HZ3  TRP  11           HZ3      TRP  11   0.437  -5.325  -4.061
  105    HH2  TRP  11           HH2      TRP  11  -1.612  -5.198  -5.381
  106    H    LEU  12           HN       LEU  12  -1.157  -1.156  -0.660
  107    HA   LEU  12           HA       LEU  12   0.837  -1.692  -2.529
  108    HB2  LEU  12           HB2      LEU  12  -0.923   0.708  -2.108
  109    HB3  LEU  12           HB1      LEU  12   0.166   0.566  -3.472
  110    HG   LEU  12           HG       LEU  12  -1.999  -1.441  -2.855
  111   HD11  LEU  12          HD11      LEU  12  -3.252  -0.383  -4.689
  112   HD12  LEU  12          HD12      LEU  12  -2.026   0.881  -4.792
  113   HD13  LEU  12          HD13      LEU  12  -3.010   0.723  -3.338
  114   HD21  LEU  12          HD21      LEU  12  -1.617  -2.124  -5.187
  115   HD22  LEU  12          HD22      LEU  12  -0.170  -2.314  -4.199
  116   HD23  LEU  12          HD23      LEU  12  -0.306  -0.952  -5.310
  117    H    THR  13           HN       THR  13   0.801   0.574   0.153
  118    HA   THR  13           HA       THR  13   3.377   1.676  -0.653
  119    HB   THR  13           HB       THR  13   3.106   3.050   1.460
  120    HG1  THR  13           HG1      THR  13   0.382   2.295   1.375
  121   HG21  THR  13          HG21      THR  13   0.940   3.237  -0.633
  122   HG22  THR  13          HG22      THR  13   2.557   3.930  -0.754
  123   HG23  THR  13          HG23      THR  13   1.430   4.530   0.461
  124    H    ASN  14           HN       ASN  14   2.222  -0.879   1.252
  125    HA   ASN  14           HA       ASN  14   4.406  -0.700   3.197
  126    HB2  ASN  14           HB2      ASN  14   1.754  -1.989   3.129
  127    HB3  ASN  14           HB1      ASN  14   3.000  -2.805   4.068
  128   HD21  ASN  14          HD21      ASN  14   1.107   0.113   3.735
  129   HD22  ASN  14          HD22      ASN  14   1.402   0.720   5.330
  130    H    LYS  15           HN       LYS  15   3.309  -2.740   0.562
  131    HA   LYS  15           HA       LYS  15   5.059  -4.929   1.161
  132    HB2  LYS  15           HB2      LYS  15   3.859  -4.160  -1.504
  133    HB3  LYS  15           HB1      LYS  15   4.519  -5.725  -1.067
  134    HG2  LYS  15           HG2      LYS  15   2.110  -4.445   0.188
  135    HG3  LYS  15           HG1      LYS  15   2.070  -5.691  -1.061
  136    HD2  LYS  15           HD2      LYS  15   3.614  -6.246   1.417
  137    HD3  LYS  15           HD1      LYS  15   1.856  -6.282   1.514
  138    HE2  LYS  15           HE2      LYS  15   2.710  -8.498   1.064
  139    HE3  LYS  15           HE1      LYS  15   1.801  -7.909  -0.323
  140    HZ1  LYS  15           HZ1      LYS  15   3.854  -7.411  -1.447
  141    HZ2  LYS  15           HZ2      LYS  15   3.863  -9.026  -0.952
  142    HZ3  LYS  15           HZ3      LYS  15   4.761  -7.877  -0.097
  143    H    VAL  16           HN       VAL  16   5.519  -1.871   0.043
  144    HA   VAL  16           HA       VAL  16   7.623  -2.241  -1.838
  145    HB   VAL  16           HB       VAL  16   7.150   0.264  -0.253
  146   HG11  VAL  16          HG11      VAL  16   7.760   1.351  -2.370
  147   HG12  VAL  16          HG12      VAL  16   7.992  -0.236  -3.104
  148   HG13  VAL  16          HG13      VAL  16   9.031   0.281  -1.776
  149   HG21  VAL  16          HG21      VAL  16   4.945  -0.557  -0.900
  150   HG22  VAL  16          HG22      VAL  16   5.488  -0.699  -2.576
  151   HG23  VAL  16          HG23      VAL  16   5.382   0.890  -1.818
  152    HA   PRO  17           HA       PRO  17  10.859  -2.982   1.211
  153    HB2  PRO  17           HB2      PRO  17  12.590  -2.250  -1.061
  154    HB3  PRO  17           HB1      PRO  17  12.600  -3.713  -0.074
  155    HG2  PRO  17           HG2      PRO  17  11.694  -3.739  -2.598
  156    HG3  PRO  17           HG1      PRO  17  10.954  -4.737  -1.333
  157    HD2  PRO  17           HD2      PRO  17   9.985  -2.186  -2.545
  158    HD3  PRO  17           HD1      PRO  17   9.066  -3.610  -2.017
  159    H    ILE  18           HN       ILE  18  12.015  -1.611   2.492
  160    HA   ILE  18           HA       ILE  18  11.716   1.208   1.932
  161    HB   ILE  18           HB       ILE  18  12.965  -0.112   4.352
  162   HG12  ILE  18          HG12      ILE  18  10.165   0.972   3.964
  163   HG13  ILE  18          HG11      ILE  18  10.589  -0.735   4.031
  164   HG21  ILE  18          HG21      ILE  18  12.604   2.054   5.436
  165   HG22  ILE  18          HG22      ILE  18  11.979   2.707   3.922
  166   HG23  ILE  18          HG23      ILE  18  13.666   2.206   4.035
  167   HD11  ILE  18          HD11      ILE  18  11.345  -0.454   6.334
  168   HD12  ILE  18          HD12      ILE  18   9.661   0.030   6.137
  169   HD13  ILE  18          HD13      ILE  18  10.921   1.258   6.263
  170    H    LYS  19           HN       LYS  19  13.102   1.200   0.094
  171    HA   LYS  19           HA       LYS  19  15.900   0.632   0.398
  172    HB2  LYS  19           HB2      LYS  19  14.440   2.077  -1.818
  173    HB3  LYS  19           HB1      LYS  19  16.106   1.525  -1.886
  174    HG2  LYS  19           HG2      LYS  19  13.654  -0.206  -1.651
  175    HG3  LYS  19           HG1      LYS  19  14.664   0.002  -3.083
  176    HD2  LYS  19           HD2      LYS  19  15.556  -1.188  -0.454
  177    HD3  LYS  19           HD1      LYS  19  15.158  -2.097  -1.909
  178    HE2  LYS  19           HE2      LYS  19  17.366  -0.057  -1.683
  179    HE3  LYS  19           HE1      LYS  19  17.585  -1.803  -1.604
  180    HZ1  LYS  19           HZ1      LYS  19  18.043  -0.829  -3.809
  181    HZ2  LYS  19           HZ2      LYS  19  16.418  -0.384  -3.933
  182    HZ3  LYS  19           HZ3      LYS  19  16.843  -2.017  -3.840
  183    H    ARG  20           HN       ARG  20  14.043   3.116   1.480
  184    HA   ARG  20           HA       ARG  20  15.970   5.232   1.003
  185    HB2  ARG  20           HB2      ARG  20  13.478   5.305   2.704
  186    HB3  ARG  20           HB1      ARG  20  14.437   6.685   2.211
  187    HG2  ARG  20           HG2      ARG  20  12.686   6.804   0.743
  188    HG3  ARG  20           HG1      ARG  20  13.855   5.882  -0.200
  189    HD2  ARG  20           HD2      ARG  20  11.682   4.862  -0.408
  190    HD3  ARG  20           HD1      ARG  20  12.734   3.798   0.521
  191    HE   ARG  20           HE       ARG  20  11.335   5.399   2.329
  192   HH11  ARG  20          HH11      ARG  20  10.658   2.876  -0.017
  193   HH12  ARG  20          HH12      ARG  20   9.240   2.315   0.815
  194   HH21  ARG  20          HH21      ARG  20   9.485   4.645   3.426
  195   HH22  ARG  20          HH22      ARG  20   8.577   3.318   2.773
  196    HA   PRO  21           HA       PRO  21  18.262   4.105   4.687
  197    HB2  PRO  21           HB2      PRO  21  19.443   6.783   4.369
  198    HB3  PRO  21           HB1      PRO  21  20.231   5.205   4.362
  199    HG2  PRO  21           HG2      PRO  21  19.936   6.681   2.124
  200    HG3  PRO  21           HG1      PRO  21  19.918   4.910   2.108
  201    HD2  PRO  21           HD2      PRO  21  17.641   6.829   1.898
  202    HD3  PRO  21           HD1      PRO  21  17.882   5.255   1.114
  203    H    SER  22           HN       SER  22  17.474   4.298   6.682
  204    HA   SER  22           HA       SER  22  16.556   5.107   8.580
  205    HB2  SER  22           HB2      SER  22  17.507   7.793   7.559
  206    HB3  SER  22           HB1      SER  22  17.042   7.421   9.218
  207    HG   SER  22           HG       SER  22  18.773   5.737   9.037