*HEADER    ANTIBIOTIC                              28-MAY-19   6K50              
*TITLE     SOLUTION STRUCTURE OF PLECTASIN DERIVATIVE NZ2114                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLECTASIN DERIVATIVE NZ2114;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PSEUDOPLECTANIA NIGRELLA;                       
*SOURCE   4 ORGANISM_COMMON: PLECTANIA NIGRELLA;                                 
*SOURCE   5 ORGANISM_TAXID: 96584                                                
*KEYWDS    PLECTASIN DERIVATIVE, ANTIBACTERIAL ACTIVITY, ANTIBIOTIC              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.H.WANG,R.Y.MAO,X.H.LIU                                              
*REVDAT   1   12-JUN-19 6K50    0                                                
# Restraints file 1: ambig.tbl
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.221 0.617 0.617 weight 1.000 ! spec=NOE, no=142, id=122, vol=6.320492e+06
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name  HE2) 2.557 0.818 0.818 weight 1.000 ! spec=NOE, no=307, id=287, vol=2.710775e+06
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name  HE1)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HE1) 2.632 0.866 0.866 weight 1.000 ! spec=NOE, no=317, id=297, vol=2.281919e+06
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HE2)
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name  HD2) 2.428 0.737 0.737 weight 1.000 ! spec=NOE, no=321, id=301, vol=3.706789e+06
    or (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name  HD1)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=NOE, no=342, id=322, vol=2.018558e+06
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HG2) 2.766 0.956 0.956 weight 1.000 ! spec=NOE, no=346, id=326, vol=1.694652e+06
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HG1)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG11) 2.567 0.824 0.824 weight 1.000 ! spec=NOE, no=370, id=350, vol=2.651834e+06
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG12)
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG13)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG11)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG12)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG13)
assign (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   20 and name   HN) 2.547 0.811 0.811 weight 1.000 ! spec=NOE, no=465, id=445, vol=2.778839e+06
    or (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD23) 2.996 1.122 1.122 weight 1.000 ! spec=NOE, no=637, id=617, vol=1.048239e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD22)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD11)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD12)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD23) 3.479 1.513 1.513 weight 1.000 ! spec=NOE, no=638, id=618, vol=4.279285e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD22)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD11)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HD12)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD11) 3.723 1.733 1.733 weight 1.000 ! spec=NOE, no=639, id=619, vol=2.847380e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD12)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD23)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name HD22)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD11) 3.667 1.681 1.681 weight 1.000 ! spec=NOE, no=802, id=782, vol=3.119204e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD12)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD23)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name HD22)
assign (segid "   A" and resid   23 and name  HE1) (segid "   A" and resid   23 and name  HG2) 3.237 1.310 1.310 weight 1.000 ! spec=NOE, no=808, id=788, vol=6.597235e+05
    or (segid "   A" and resid   23 and name  HE2) (segid "   A" and resid   23 and name  HG2)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG23) 2.898 1.050 1.050 weight 1.000 ! spec=NOE, no=817, id=797, vol=1.280766e+06
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   36 and name HG22)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG23)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   29 and name  HE2) (segid "   A" and resid   38 and name  HE1) 3.630 1.647 1.647 weight 1.000 ! spec=NOE, no=958, id=938, vol=3.316996e+05
    or (segid "   A" and resid   29 and name  HE1) (segid "   A" and resid   38 and name  HE1)
    or (segid "   A" and resid   29 and name  HE2) (segid "   A" and resid   38 and name  HE2)
    or (segid "   A" and resid   29 and name  HE1) (segid "   A" and resid   38 and name  HE2)
assign (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   40 and name  HE2) 3.036 1.152 1.152 weight 1.000 ! spec=NOE, no=969, id=949, vol=9.681921e+05
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   40 and name  HE1)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   40 and name  HE2)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid   20 and name  HG2) (segid "   A" and resid   16 and name  HD2) 3.610 1.629 1.629 weight 1.000 ! spec=NOE, no=986, id=966, vol=3.428420e+05
    or (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   16 and name  HD2)
assign (segid "   A" and resid   16 and name  HE1) (segid "   A" and resid   20 and name  HG2) 3.376 1.425 1.425 weight 1.000 ! spec=NOE, no=987, id=967, vol=5.122553e+05
    or (segid "   A" and resid   16 and name  HE1) (segid "   A" and resid   20 and name  HG1)
assign (segid "   A" and resid    3 and name  HA1) (segid "   A" and resid   14 and name  HB1) 3.129 1.224 1.224 weight 1.000 ! spec=NOE, no=1003, id=983, vol=8.077294e+05
    or (segid "   A" and resid    3 and name  HA1) (segid "   A" and resid   14 and name  HB2)
# Restraints file 2: unambig.tbl
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid   35 and name  HE1) 2.788 0.972 0.972 weight 1.000 ! spec=NOE, no=2, id=1, vol=1.613973e+06
    or (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid   35 and name  HE2)
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB1) 2.715 0.922 0.922 weight 1.000 ! spec=NOE, no=5, id=2, vol=1.892567e+06
assign (segid "   A" and resid    8 and name  HE1) (segid "   A" and resid    8 and name  HD1) 2.527 0.798 0.798 weight 1.000 ! spec=NOE, no=7, id=4, vol=2.915775e+06
assign (segid "   A" and resid    8 and name  HZ3) (segid "   A" and resid    8 and name  HE3) 2.365 0.699 0.699 weight 1.000 ! spec=NOE, no=8, id=5, vol=4.330431e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB2) 3.205 1.284 1.284 weight 1.000 ! spec=NOE, no=12, id=8, vol=6.994212e+05
assign (segid "   A" and resid    9 and name HD21) (segid "   A" and resid    5 and name  HB2) 3.585 1.606 1.606 weight 1.000 ! spec=NOE, no=16, id=9, vol=3.575331e+05
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    9 and name  HB1) 3.482 1.515 1.515 weight 1.000 ! spec=NOE, no=17, id=10, vol=4.258912e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   15 and name  HB2) 3.800 1.805 1.805 weight 1.000 ! spec=NOE, no=18, id=11, vol=2.517448e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.297 1.359 1.359 weight 1.000 ! spec=NOE, no=19, id=12, vol=5.903101e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.370 1.419 1.419 weight 1.000 ! spec=NOE, no=20, id=13, vol=5.180862e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.338 1.393 1.393 weight 1.000 ! spec=NOE, no=21, id=14, vol=5.484330e+05
assign (segid "   A" and resid   16 and name  HE1) (segid "   A" and resid   20 and name  HD1) 3.099 1.201 1.201 weight 1.000 ! spec=NOE, no=23, id=15, vol=8.555480e+05
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name  HG2) 3.529 1.557 1.557 weight 1.000 ! spec=NOE, no=24, id=16, vol=3.928354e+05
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    9 and name HD22) 3.408 1.452 1.452 weight 1.000 ! spec=NOE, no=29, id=18, vol=4.842697e+05
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    1 and name  HA2) 3.393 1.439 1.439 weight 1.000 ! spec=NOE, no=34, id=21, vol=4.969317e+05
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    1 and name  HA2)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid    2 and name  HD2) 3.472 1.507 1.507 weight 1.000 ! spec=NOE, no=35, id=22, vol=4.329844e+05
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   35 and name   HN) 3.673 1.686 1.686 weight 1.000 ! spec=NOE, no=42, id=28, vol=3.090123e+05
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid   35 and name  HE1) 3.587 1.609 1.609 weight 1.000 ! spec=NOE, no=43, id=29, vol=3.558544e+05
    or (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid   35 and name  HE2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.922 1.067 1.067 weight 1.000 ! spec=NOE, no=54, id=34, vol=1.218926e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.481 0.769 0.769 weight 1.000 ! spec=NOE, no=55, id=35, vol=3.254036e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.237 1.309 1.309 weight 1.000 ! spec=NOE, no=56, id=36, vol=6.599358e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HA1) 2.639 0.870 0.870 weight 1.000 ! spec=NOE, no=59, id=39, vol=2.246768e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HA2) 2.692 0.906 0.906 weight 1.000 ! spec=NOE, no=60, id=40, vol=1.994116e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA) 1.943 0.472 0.472 weight 1.000 ! spec=NOE, no=64, id=44, vol=1.409070e+07
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HN) 2.877 1.035 1.035 weight 1.000 ! spec=NOE, no=66, id=46, vol=1.338045e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HN) 2.430 0.738 0.738 weight 1.000 ! spec=NOE, no=68, id=48, vol=3.684190e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   32 and name   HN) 3.398 1.444 1.444 weight 1.000 ! spec=NOE, no=69, id=49, vol=4.925265e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   33 and name   HN) 2.165 0.586 0.586 weight 1.000 ! spec=NOE, no=72, id=52, vol=7.375780e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HA1) 2.190 0.599 0.599 weight 1.000 ! spec=NOE, no=74, id=54, vol=6.883653e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name   HB) 2.228 0.620 0.620 weight 1.000 ! spec=NOE, no=75, id=55, vol=6.207560e+06
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name   HB)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.085 0.543 0.543 weight 1.000 ! spec=NOE, no=76, id=56, vol=9.229859e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.157 0.581 0.581 weight 1.000 ! spec=NOE, no=77, id=57, vol=7.535430e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HB) 2.218 0.615 0.615 weight 1.000 ! spec=NOE, no=78, id=58, vol=6.363081e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.204 0.607 0.607 weight 1.000 ! spec=NOE, no=79, id=59, vol=6.619084e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.195 0.602 0.602 weight 1.000 ! spec=NOE, no=80, id=60, vol=6.775123e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.205 0.608 0.608 weight 1.000 ! spec=NOE, no=81, id=61, vol=6.595799e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.060 0.531 0.531 weight 1.000 ! spec=NOE, no=82, id=62, vol=9.920780e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.083 0.542 0.542 weight 1.000 ! spec=NOE, no=84, id=64, vol=9.298326e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.142 0.574 0.574 weight 1.000 ! spec=NOE, no=86, id=66, vol=7.848876e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 2.164 0.585 0.585 weight 1.000 ! spec=NOE, no=87, id=67, vol=7.390733e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 1.921 0.461 0.461 weight 1.000 ! spec=NOE, no=89, id=69, vol=1.510056e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 2.048 0.524 0.524 weight 1.000 ! spec=NOE, no=90, id=70, vol=1.028733e+07
assign (segid "   A" and resid    9 and name HD21) (segid "   A" and resid    9 and name HD22) 1.657 0.343 0.343 weight 1.000 ! spec=NOE, no=93, id=73, vol=3.663714e+07
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name HD21) 1.571 0.309 0.309 weight 1.000 ! spec=NOE, no=96, id=76, vol=5.037134e+07
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name HD21) 1.598 0.319 0.319 weight 1.000 ! spec=NOE, no=97, id=77, vol=4.551626e+07
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 2.016 0.508 0.508 weight 1.000 ! spec=NOE, no=99, id=79, vol=1.130192e+07
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 2.044 0.522 0.522 weight 1.000 ! spec=NOE, no=101, id=81, vol=1.038694e+07
assign (segid "   A" and resid   33 and name  HA2) (segid "   A" and resid   33 and name  HA1) 2.139 0.572 0.572 weight 1.000 ! spec=NOE, no=102, id=82, vol=7.912074e+06
assign (segid "   A" and resid    1 and name  HA1) (segid "   A" and resid    1 and name  HA2) 1.839 0.423 0.423 weight 1.000 ! spec=NOE, no=103, id=83, vol=1.958535e+07
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HB2) 2.040 0.520 0.520 weight 1.000 ! spec=NOE, no=104, id=84, vol=1.053798e+07
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HB1) 1.731 0.375 0.375 weight 1.000 ! spec=NOE, no=111, id=91, vol=2.816338e+07
assign (segid "   A" and resid   34 and name  HA1) (segid "   A" and resid   34 and name  HA2) 1.933 0.467 0.467 weight 1.000 ! spec=NOE, no=112, id=92, vol=1.452800e+07
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name  HB2) 1.869 0.437 0.437 weight 1.000 ! spec=NOE, no=113, id=93, vol=1.780940e+07
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HB2) 1.851 0.428 0.428 weight 1.000 ! spec=NOE, no=114, id=94, vol=1.886267e+07
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HB1) 1.845 0.426 0.426 weight 1.000 ! spec=NOE, no=115, id=95, vol=1.922335e+07
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HB1) 1.846 0.426 0.426 weight 1.000 ! spec=NOE, no=116, id=96, vol=1.919047e+07
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HB2) 1.734 0.376 0.376 weight 1.000 ! spec=NOE, no=117, id=97, vol=2.793971e+07
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HB1) 1.846 0.426 0.426 weight 1.000 ! spec=NOE, no=120, id=100, vol=1.914728e+07
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 1.714 0.367 0.367 weight 1.000 ! spec=NOE, no=122, id=102, vol=2.995525e+07
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HB2) 1.844 0.425 0.425 weight 1.000 ! spec=NOE, no=123, id=103, vol=1.931936e+07
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HB1) 1.863 0.434 0.434 weight 1.000 ! spec=NOE, no=124, id=104, vol=1.816256e+07
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name  HB1) 1.868 0.436 0.436 weight 1.000 ! spec=NOE, no=126, id=106, vol=1.785234e+07
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HB2) 1.695 0.359 0.359 weight 1.000 ! spec=NOE, no=127, id=107, vol=3.202168e+07
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   10 and name  HG1) 2.009 0.505 0.505 weight 1.000 ! spec=NOE, no=128, id=108, vol=1.153300e+07
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HB1) 2.028 0.514 0.514 weight 1.000 ! spec=NOE, no=129, id=109, vol=1.089038e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 1.888 0.446 0.446 weight 1.000 ! spec=NOE, no=130, id=110, vol=1.673228e+07
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HB1) 1.886 0.445 0.445 weight 1.000 ! spec=NOE, no=133, id=113, vol=1.684725e+07
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name  HB2) 1.877 0.441 0.441 weight 1.000 ! spec=NOE, no=135, id=115, vol=1.732940e+07
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HB1) 1.777 0.395 0.395 weight 1.000 ! spec=NOE, no=138, id=118, vol=2.412587e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.164 0.585 0.585 weight 1.000 ! spec=NOE, no=140, id=120, vol=7.386322e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HB1) 1.886 0.445 0.445 weight 1.000 ! spec=NOE, no=141, id=121, vol=1.684990e+07
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HG1) 1.834 0.420 0.420 weight 1.000 ! spec=NOE, no=149, id=129, vol=1.996153e+07
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HB2) 1.861 0.433 0.433 weight 1.000 ! spec=NOE, no=151, id=131, vol=1.826228e+07
assign (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   22 and name HG11) 2.193 0.601 0.601 weight 1.000 ! spec=NOE, no=153, id=133, vol=6.810915e+06
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   22 and name HG11)
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name  HG1) 1.969 0.484 0.484 weight 1.000 ! spec=NOE, no=154, id=134, vol=1.303048e+07
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name  HB1) 1.792 0.401 0.401 weight 1.000 ! spec=NOE, no=155, id=135, vol=2.291333e+07
assign (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   36 and name   HB) 2.113 0.558 0.558 weight 1.000 ! spec=NOE, no=157, id=137, vol=8.525439e+06
    or (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   36 and name   HB)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   36 and name   HB)
assign (segid "   A" and resid   13 and name HD23) (segid "   A" and resid   13 and name   HG) 1.971 0.486 0.486 weight 1.000 ! spec=NOE, no=159, id=139, vol=1.294245e+07
    or (segid "   A" and resid   13 and name HD21) (segid "   A" and resid   13 and name   HG)
    or (segid "   A" and resid   13 and name HD22) (segid "   A" and resid   13 and name   HG)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name   HB) 2.050 0.525 0.525 weight 1.000 ! spec=NOE, no=160, id=140, vol=1.021123e+07
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name   HB)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   36 and name   HB)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HG23) 1.823 0.416 0.416 weight 1.000 ! spec=NOE, no=161, id=141, vol=2.065008e+07
    or (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HG22)
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name HG23)
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name HG22)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   36 and name HG23)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   22 and name   HB) 2.102 0.552 0.552 weight 1.000 ! spec=NOE, no=162, id=142, vol=8.797943e+06
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   22 and name   HB)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   22 and name   HB)
assign (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   22 and name HG11) 1.851 0.428 0.428 weight 1.000 ! spec=NOE, no=164, id=144, vol=1.888136e+07
assign (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   22 and name HG12) 2.133 0.569 0.569 weight 1.000 ! spec=NOE, no=165, id=145, vol=8.043864e+06
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   22 and name HG23) 2.018 0.509 0.509 weight 1.000 ! spec=NOE, no=166, id=146, vol=1.122204e+07
    or (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   22 and name HG22)
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   22 and name HG23)
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   22 and name HG22)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   22 and name HG23)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.672 0.892 0.892 weight 1.000 ! spec=NOE, no=168, id=148, vol=2.085712e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HN) 2.467 0.761 0.761 weight 1.000 ! spec=NOE, no=171, id=151, vol=3.367804e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name   HN) 2.396 0.718 0.718 weight 1.000 ! spec=NOE, no=172, id=152, vol=4.008541e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOE, no=173, id=153, vol=4.053672e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   16 and name   HN) 2.529 0.799 0.799 weight 1.000 ! spec=NOE, no=174, id=154, vol=2.901676e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HN) 2.880 1.037 1.037 weight 1.000 ! spec=NOE, no=179, id=159, vol=1.329420e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   17 and name   HN) 2.481 0.769 0.769 weight 1.000 ! spec=NOE, no=180, id=160, vol=3.256264e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   17 and name   HN) 2.843 1.011 1.011 weight 1.000 ! spec=NOE, no=181, id=161, vol=1.435708e+06
assign (segid "   A" and resid   33 and name  HA2) (segid "   A" and resid   33 and name   HN) 2.620 0.858 0.858 weight 1.000 ! spec=NOE, no=184, id=164, vol=2.343375e+06
assign (segid "   A" and resid   33 and name  HA1) (segid "   A" and resid   33 and name   HN) 2.220 0.616 0.616 weight 1.000 ! spec=NOE, no=185, id=165, vol=6.338517e+06
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   37 and name   HN) 2.542 0.807 0.807 weight 1.000 ! spec=NOE, no=186, id=166, vol=2.814436e+06
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name   HN) 2.271 0.645 0.645 weight 1.000 ! spec=NOE, no=187, id=167, vol=5.533135e+06
assign (segid "   A" and resid    1 and name  HA1) (segid "   A" and resid    2 and name   HN) 2.427 0.736 0.736 weight 1.000 ! spec=NOE, no=189, id=169, vol=3.709601e+06
assign (segid "   A" and resid    1 and name  HA2) (segid "   A" and resid    2 and name   HN) 2.414 0.728 0.728 weight 1.000 ! spec=NOE, no=190, id=170, vol=3.834154e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HN) 2.743 0.941 0.941 weight 1.000 ! spec=NOE, no=193, id=173, vol=1.779610e+06
assign (segid "   A" and resid   24 and name  HA2) (segid "   A" and resid   24 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=NOE, no=194, id=174, vol=2.608413e+06
assign (segid "   A" and resid   24 and name  HA1) (segid "   A" and resid   24 and name   HN) 2.317 0.671 0.671 weight 1.000 ! spec=NOE, no=195, id=175, vol=4.903875e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=NOE, no=201, id=181, vol=2.627281e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   19 and name   HN) 2.483 0.771 0.771 weight 1.000 ! spec=NOE, no=202, id=182, vol=3.233574e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HN) 2.541 0.807 0.807 weight 1.000 ! spec=NOE, no=205, id=185, vol=2.821229e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   13 and name   HN) 2.755 0.948 0.948 weight 1.000 ! spec=NOE, no=206, id=186, vol=1.736204e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name   HN) 2.784 0.969 0.969 weight 1.000 ! spec=NOE, no=212, id=192, vol=1.630580e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HN) 2.434 0.740 0.740 weight 1.000 ! spec=NOE, no=213, id=193, vol=3.650265e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HN) 2.478 0.767 0.767 weight 1.000 ! spec=NOE, no=214, id=194, vol=3.277798e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name   HN) 2.391 0.715 0.715 weight 1.000 ! spec=NOE, no=216, id=196, vol=4.054877e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.411 0.727 0.727 weight 1.000 ! spec=NOE, no=223, id=203, vol=3.859067e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   20 and name   HN) 2.555 0.816 0.816 weight 1.000 ! spec=NOE, no=224, id=204, vol=2.727005e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD21) 2.464 0.759 0.759 weight 1.000 ! spec=NOE, no=227, id=207, vol=3.385357e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD21) 2.518 0.792 0.792 weight 1.000 ! spec=NOE, no=228, id=208, vol=2.976642e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD21) 2.761 0.953 0.953 weight 1.000 ! spec=NOE, no=229, id=209, vol=1.713768e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.276 0.647 0.647 weight 1.000 ! spec=NOE, no=230, id=210, vol=5.459117e+06
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HN) 2.589 0.838 2.411 weight 1.000 ! spec=NOE, no=231, id=211, vol=2.515786e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   28 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=NOE, no=232, id=212, vol=2.840912e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name   HN) 2.682 0.899 0.899 weight 1.000 ! spec=NOE, no=236, id=216, vol=2.036316e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name   HN) 2.629 0.864 0.864 weight 1.000 ! spec=NOE, no=238, id=218, vol=2.296822e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name HD22) 2.773 0.961 0.961 weight 1.000 ! spec=NOE, no=241, id=221, vol=1.667986e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=NOE, no=243, id=223, vol=2.112674e+06
assign (segid "   A" and resid   34 and name  HA1) (segid "   A" and resid   34 and name   HN) 2.523 0.795 0.795 weight 1.000 ! spec=NOE, no=244, id=224, vol=2.944100e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HN) 2.499 0.780 0.780 weight 1.000 ! spec=NOE, no=249, id=229, vol=3.117562e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HN) 2.352 0.692 0.692 weight 1.000 ! spec=NOE, no=250, id=230, vol=4.478770e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name   HN) 2.604 0.847 0.847 weight 1.000 ! spec=NOE, no=251, id=231, vol=2.435142e+06
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name   HE) 2.398 0.719 0.719 weight 1.000 ! spec=NOE, no=255, id=235, vol=3.986899e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HN) 2.602 0.846 0.846 weight 1.000 ! spec=NOE, no=258, id=238, vol=2.445849e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOE, no=260, id=240, vol=2.122794e+06
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name   HN) 2.820 0.994 0.994 weight 1.000 ! spec=NOE, no=262, id=242, vol=1.507875e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD22) 2.804 0.983 0.983 weight 1.000 ! spec=NOE, no=266, id=246, vol=1.559175e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD22) 2.839 1.007 1.007 weight 1.000 ! spec=NOE, no=267, id=247, vol=1.448843e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name   HN) 2.141 0.573 0.573 weight 1.000 ! spec=NOE, no=272, id=252, vol=7.874909e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name   HN) 2.481 0.769 0.769 weight 1.000 ! spec=NOE, no=273, id=253, vol=3.255860e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name   HN) 2.341 0.685 0.685 weight 1.000 ! spec=NOE, no=274, id=254, vol=4.605534e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB1) 2.548 0.811 0.811 weight 1.000 ! spec=NOE, no=275, id=255, vol=2.774098e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB2) 2.714 0.921 0.921 weight 1.000 ! spec=NOE, no=276, id=256, vol=1.897485e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=NOE, no=277, id=257, vol=3.685965e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.586 0.836 0.836 weight 1.000 ! spec=NOE, no=278, id=258, vol=2.535206e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.722 0.926 0.926 weight 1.000 ! spec=NOE, no=299, id=279, vol=1.863278e+06
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD2) 2.305 0.664 0.664 weight 1.000 ! spec=NOE, no=301, id=281, vol=5.058689e+06
assign (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid    7 and name  HD2) 2.376 0.706 0.706 weight 1.000 ! spec=NOE, no=302, id=282, vol=4.218088e+06
assign (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid    7 and name  HD1) 2.561 0.820 0.820 weight 1.000 ! spec=NOE, no=305, id=285, vol=2.691486e+06
assign (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name  HE2) 2.707 0.916 0.916 weight 1.000 ! spec=NOE, no=308, id=288, vol=1.928672e+06
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   25 and name  HB2) 2.730 0.932 0.932 weight 1.000 ! spec=NOE, no=311, id=291, vol=1.832231e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG1) 2.604 0.848 0.848 weight 1.000 ! spec=NOE, no=315, id=295, vol=2.430434e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HB2) 2.748 0.944 0.944 weight 1.000 ! spec=NOE, no=316, id=296, vol=1.760439e+06
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD2) 2.665 0.888 0.888 weight 1.000 ! spec=NOE, no=322, id=302, vol=2.115071e+06
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD1) 2.431 0.739 0.739 weight 1.000 ! spec=NOE, no=323, id=303, vol=3.670760e+06
assign (segid "   A" and resid   32 and name  HE2) (segid "   A" and resid   32 and name  HG2) 2.697 0.909 0.909 weight 1.000 ! spec=NOE, no=324, id=304, vol=1.972381e+06
assign (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   20 and name  HG2) 2.670 0.891 0.891 weight 1.000 ! spec=NOE, no=325, id=305, vol=2.092058e+06
assign (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   35 and name  HB1) 2.739 0.938 0.938 weight 1.000 ! spec=NOE, no=326, id=306, vol=1.797179e+06
    or (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   35 and name  HB1)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.525 0.797 0.797 weight 1.000 ! spec=NOE, no=328, id=308, vol=2.924026e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2) 2.881 1.037 1.037 weight 1.000 ! spec=NOE, no=329, id=309, vol=1.326633e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 2.570 0.826 0.826 weight 1.000 ! spec=NOE, no=330, id=310, vol=2.630110e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.851 1.016 1.016 weight 1.000 ! spec=NOE, no=331, id=311, vol=1.413891e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.681 0.899 0.899 weight 1.000 ! spec=NOE, no=332, id=312, vol=2.042110e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB1) 2.883 1.039 1.039 weight 1.000 ! spec=NOE, no=333, id=313, vol=1.321750e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB1) 2.716 0.922 0.922 weight 1.000 ! spec=NOE, no=334, id=314, vol=1.889538e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name   HB) 2.711 0.919 0.919 weight 1.000 ! spec=NOE, no=335, id=315, vol=1.910232e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HG2) 2.695 0.908 0.908 weight 1.000 ! spec=NOE, no=336, id=316, vol=1.980220e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.444 0.747 0.747 weight 1.000 ! spec=NOE, no=337, id=317, vol=3.555746e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=NOE, no=338, id=318, vol=3.082250e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=NOE, no=339, id=319, vol=4.384376e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.304 0.663 0.663 weight 1.000 ! spec=NOE, no=340, id=320, vol=5.075626e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HG1) 2.916 1.063 1.063 weight 1.000 ! spec=NOE, no=341, id=321, vol=1.234860e+06
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HA) 2.706 0.915 0.915 weight 1.000 ! spec=NOE, no=343, id=323, vol=1.932802e+06
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   22 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=NOE, no=344, id=324, vol=2.507069e+06
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HG1) 2.599 0.845 0.845 weight 1.000 ! spec=NOE, no=345, id=325, vol=2.458360e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA) 2.479 0.768 0.768 weight 1.000 ! spec=NOE, no=347, id=327, vol=3.269054e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA) 2.548 0.812 0.812 weight 1.000 ! spec=NOE, no=348, id=328, vol=2.771118e+06
assign (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   36 and name   HA) 2.472 0.764 0.764 weight 1.000 ! spec=NOE, no=349, id=329, vol=3.326238e+06
    or (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   13 and name   HA) 2.302 0.662 0.662 weight 1.000 ! spec=NOE, no=350, id=330, vol=5.101873e+06
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=NOE, no=351, id=331, vol=2.589476e+06
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   22 and name   HA) 2.271 0.644 0.644 weight 1.000 ! spec=NOE, no=352, id=332, vol=5.536122e+06
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   22 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=NOE, no=353, id=333, vol=3.173971e+06
assign (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   19 and name   HA) 2.530 0.800 0.800 weight 1.000 ! spec=NOE, no=354, id=334, vol=2.895511e+06
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.815 0.990 0.990 weight 1.000 ! spec=NOE, no=355, id=335, vol=1.525178e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.845 1.012 1.012 weight 1.000 ! spec=NOE, no=356, id=336, vol=1.429377e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   13 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=NOE, no=357, id=337, vol=2.455869e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=NOE, no=358, id=338, vol=2.031400e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HA) 2.561 0.820 0.820 weight 1.000 ! spec=NOE, no=359, id=339, vol=2.686796e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.615 0.855 0.855 weight 1.000 ! spec=NOE, no=360, id=340, vol=2.372390e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.759 0.952 0.952 weight 1.000 ! spec=NOE, no=361, id=341, vol=1.719192e+06
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HD11) 2.338 0.683 0.683 weight 1.000 ! spec=NOE, no=366, id=346, vol=4.641253e+06
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name HD23) 2.276 0.647 0.647 weight 1.000 ! spec=NOE, no=368, id=348, vol=5.463451e+06
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name HD22)
assign (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   22 and name   HB) 2.728 0.931 0.931 weight 1.000 ! spec=NOE, no=369, id=349, vol=1.838337e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   36 and name HG11) 2.648 0.877 0.877 weight 1.000 ! spec=NOE, no=371, id=351, vol=2.198266e+06
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   36 and name HG12)
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   36 and name HG13)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=NOE, no=372, id=352, vol=1.786010e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HA) 2.966 1.100 1.100 weight 1.000 ! spec=NOE, no=377, id=357, vol=1.114300e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name   HN) 2.546 0.810 0.810 weight 1.000 ! spec=NOE, no=378, id=358, vol=2.782562e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name   HN) 2.576 0.829 0.829 weight 1.000 ! spec=NOE, no=379, id=359, vol=2.597511e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HA) 2.914 1.061 1.061 weight 1.000 ! spec=NOE, no=383, id=363, vol=1.239037e+06
assign (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid    6 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=NOE, no=395, id=375, vol=2.744004e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.344 0.687 0.687 weight 1.000 ! spec=NOE, no=399, id=379, vol=4.576705e+06
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=NOE, no=401, id=381, vol=1.293593e+06
assign (segid "   A" and resid   27 and name  HA2) (segid "   A" and resid   28 and name   HN) 2.438 0.743 0.743 weight 1.000 ! spec=NOE, no=402, id=382, vol=3.611286e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=NOE, no=405, id=385, vol=2.322266e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD1) 2.454 0.753 0.753 weight 1.000 ! spec=NOE, no=407, id=387, vol=3.476274e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HA2) 2.366 0.700 0.700 weight 1.000 ! spec=NOE, no=409, id=389, vol=4.321633e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.445 0.747 0.747 weight 1.000 ! spec=NOE, no=410, id=390, vol=3.550521e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HN) 2.738 0.937 0.937 weight 1.000 ! spec=NOE, no=411, id=391, vol=1.800149e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HN) 2.354 0.693 0.693 weight 1.000 ! spec=NOE, no=412, id=392, vol=4.456259e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.788 0.972 0.972 weight 1.000 ! spec=NOE, no=413, id=393, vol=1.615436e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=NOE, no=416, id=396, vol=2.375576e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HN) 2.338 0.683 0.683 weight 1.000 ! spec=NOE, no=417, id=397, vol=4.644247e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.895 1.048 1.048 weight 1.000 ! spec=NOE, no=421, id=401, vol=1.288716e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HN) 2.322 0.674 0.674 weight 1.000 ! spec=NOE, no=422, id=402, vol=4.838896e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HB2) 2.546 0.810 0.810 weight 1.000 ! spec=NOE, no=424, id=404, vol=2.786104e+06
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HN) 2.710 0.918 0.918 weight 1.000 ! spec=NOE, no=425, id=405, vol=1.912960e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.573 0.827 0.827 weight 1.000 ! spec=NOE, no=426, id=406, vol=2.615793e+06
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name   HN) 2.374 0.704 0.704 weight 1.000 ! spec=NOE, no=427, id=407, vol=4.238535e+06
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HN) 2.435 0.741 0.741 weight 1.000 ! spec=NOE, no=428, id=408, vol=3.638752e+06
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name HD21) 2.513 0.789 0.789 weight 1.000 ! spec=NOE, no=429, id=409, vol=3.011092e+06
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name  HB2) 2.837 1.006 1.006 weight 1.000 ! spec=NOE, no=430, id=410, vol=1.454557e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=NOE, no=431, id=411, vol=1.527305e+06
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HN) 2.501 0.782 0.782 weight 1.000 ! spec=NOE, no=433, id=413, vol=3.097029e+06
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=NOE, no=435, id=415, vol=1.827105e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HN) 2.677 0.896 0.896 weight 1.000 ! spec=NOE, no=436, id=416, vol=2.061628e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.833 1.003 1.003 weight 1.000 ! spec=NOE, no=439, id=419, vol=1.468389e+06
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HN) 2.739 0.938 0.938 weight 1.000 ! spec=NOE, no=440, id=420, vol=1.795686e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HN) 2.320 0.673 0.673 weight 1.000 ! spec=NOE, no=441, id=421, vol=4.861684e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN) 2.467 0.761 0.761 weight 1.000 ! spec=NOE, no=443, id=423, vol=3.366479e+06
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name   HN) 2.240 0.627 0.627 weight 1.000 ! spec=NOE, no=444, id=424, vol=5.999010e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HN) 2.737 0.936 2.263 weight 1.000 ! spec=NOE, no=445, id=425, vol=1.804530e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   40 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOE, no=446, id=426, vol=4.045304e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.902 1.053 1.053 weight 1.000 ! spec=NOE, no=447, id=427, vol=1.269604e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HN) 2.262 0.640 0.640 weight 1.000 ! spec=NOE, no=448, id=428, vol=5.658107e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   14 and name   HN) 2.470 0.762 0.762 weight 1.000 ! spec=NOE, no=449, id=429, vol=3.344227e+06
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HN) 2.524 0.796 0.796 weight 1.000 ! spec=NOE, no=450, id=430, vol=2.935636e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name   HN) 2.411 0.727 0.727 weight 1.000 ! spec=NOE, no=451, id=431, vol=3.857298e+06
assign (segid "   A" and resid   14 and name   HE) (segid "   A" and resid   14 and name  HB1) 2.859 1.022 1.022 weight 1.000 ! spec=NOE, no=452, id=432, vol=1.389311e+06
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HN) 2.620 0.858 0.858 weight 1.000 ! spec=NOE, no=453, id=433, vol=2.343204e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HG2) 2.795 0.976 0.976 weight 1.000 ! spec=NOE, no=454, id=434, vol=1.591004e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HN) 2.310 0.667 0.667 weight 1.000 ! spec=NOE, no=455, id=435, vol=4.991150e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.826 0.998 0.998 weight 1.000 ! spec=NOE, no=456, id=436, vol=1.489497e+06
assign (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid    6 and name   HN) 2.426 0.736 0.736 weight 1.000 ! spec=NOE, no=457, id=437, vol=3.716472e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.628 0.863 0.863 weight 1.000 ! spec=NOE, no=458, id=438, vol=2.300987e+06
assign (segid "   A" and resid   13 and name   HG) (segid "   A" and resid   17 and name HD22) 2.814 0.990 0.990 weight 1.000 ! spec=NOE, no=459, id=439, vol=1.528467e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HN) 2.279 0.649 0.649 weight 1.000 ! spec=NOE, no=460, id=440, vol=5.408248e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HD2) 2.790 0.973 0.973 weight 1.000 ! spec=NOE, no=461, id=441, vol=1.609352e+06
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    8 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOE, no=462, id=442, vol=2.122246e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HN) 2.268 0.643 0.643 weight 1.000 ! spec=NOE, no=463, id=443, vol=5.574667e+06
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   22 and name   HN) 2.501 0.782 0.782 weight 1.000 ! spec=NOE, no=464, id=444, vol=3.099348e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HN) 2.434 0.741 0.741 weight 1.000 ! spec=NOE, no=466, id=446, vol=3.646320e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=NOE, no=467, id=447, vol=1.252155e+06
assign (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   36 and name   HN) 2.460 0.756 0.756 weight 1.000 ! spec=NOE, no=468, id=448, vol=3.426615e+06
    or (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   36 and name   HN)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   13 and name HD11) 2.871 1.030 1.030 weight 1.000 ! spec=NOE, no=469, id=449, vol=1.353941e+06
    or (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   13 and name HD12)
assign (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   17 and name HD22) 2.632 0.866 0.866 weight 1.000 ! spec=NOE, no=470, id=450, vol=2.279166e+06
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   17 and name HD22)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   37 and name   HN) 2.444 0.747 0.747 weight 1.000 ! spec=NOE, no=471, id=451, vol=3.560589e+06
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   37 and name   HN)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   37 and name   HN)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HG11) 2.860 1.023 1.023 weight 1.000 ! spec=NOE, no=472, id=452, vol=1.384988e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HG12)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HG13)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   23 and name   HN) 2.345 0.687 0.687 weight 1.000 ! spec=NOE, no=473, id=453, vol=4.566255e+06
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   23 and name   HN)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   23 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HG23) 2.804 0.983 0.983 weight 1.000 ! spec=NOE, no=474, id=454, vol=1.560192e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   25 and name  HD1) 2.397 0.718 0.718 weight 1.000 ! spec=NOE, no=475, id=455, vol=3.997673e+06
    or (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HG12) 2.874 1.032 1.032 weight 1.000 ! spec=NOE, no=476, id=456, vol=1.346768e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name HD11) 2.761 0.953 0.953 weight 1.000 ! spec=NOE, no=477, id=457, vol=1.713166e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name HD13)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name HD11)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   25 and name  HE1) 2.565 0.822 0.822 weight 1.000 ! spec=NOE, no=478, id=458, vol=2.664793e+06
    or (segid "   A" and resid   22 and name HD11) (segid "   A" and resid   25 and name  HE2)
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   25 and name  HE1)
    or (segid "   A" and resid   22 and name HD12) (segid "   A" and resid   25 and name  HE2)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   25 and name  HE1)
    or (segid "   A" and resid   22 and name HD13) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 2.366 0.700 0.700 weight 1.000 ! spec=NOE, no=482, id=462, vol=4.319964e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name   HN) 2.864 1.025 1.025 weight 1.000 ! spec=NOE, no=485, id=465, vol=1.375622e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name   HN) 2.687 0.902 0.902 weight 1.000 ! spec=NOE, no=488, id=468, vol=2.016041e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HN) 2.459 0.756 0.756 weight 1.000 ! spec=NOE, no=489, id=469, vol=3.428301e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=NOE, no=495, id=475, vol=2.610512e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   29 and name   HN) 2.700 0.911 0.911 weight 1.000 ! spec=NOE, no=498, id=478, vol=1.956572e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=NOE, no=499, id=479, vol=3.244605e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HN) 2.636 0.869 0.869 weight 1.000 ! spec=NOE, no=500, id=480, vol=2.260899e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HN) 2.423 0.734 0.734 weight 1.000 ! spec=NOE, no=502, id=482, vol=3.749358e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 2.299 0.661 0.661 weight 1.000 ! spec=NOE, no=503, id=483, vol=5.130935e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 2.065 0.533 0.533 weight 1.000 ! spec=NOE, no=504, id=484, vol=9.769340e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 2.498 0.780 0.780 weight 1.000 ! spec=NOE, no=505, id=485, vol=3.124975e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.251 0.633 0.633 weight 1.000 ! spec=NOE, no=506, id=486, vol=5.837736e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HN) 2.727 0.929 0.929 weight 1.000 ! spec=NOE, no=507, id=487, vol=1.844867e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.404 0.722 0.722 weight 1.000 ! spec=NOE, no=509, id=489, vol=3.934441e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name   HN) 2.492 0.776 0.776 weight 1.000 ! spec=NOE, no=510, id=490, vol=3.168045e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HN) 2.396 0.718 0.718 weight 1.000 ! spec=NOE, no=513, id=493, vol=4.004875e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 2.242 0.629 0.629 weight 1.000 ! spec=NOE, no=514, id=494, vol=5.964834e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD22) 3.910 1.911 1.911 weight 1.000 ! spec=NOE, no=519, id=499, vol=2.121660e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    5 and name HD22) 3.167 1.254 1.254 weight 1.000 ! spec=NOE, no=520, id=500, vol=7.514495e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD21) 3.384 1.431 1.431 weight 1.000 ! spec=NOE, no=521, id=501, vol=5.054122e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name   HN) 3.643 1.659 1.659 weight 1.000 ! spec=NOE, no=522, id=502, vol=3.243093e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   38 and name   HN) 3.138 1.231 1.231 weight 1.000 ! spec=NOE, no=524, id=504, vol=7.945185e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HN) 3.786 1.792 1.792 weight 1.000 ! spec=NOE, no=525, id=505, vol=2.576011e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name   HN) 3.487 1.520 1.520 weight 1.000 ! spec=NOE, no=527, id=507, vol=4.220060e+05
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   26 and name   HN) 3.360 1.411 1.411 weight 1.000 ! spec=NOE, no=528, id=508, vol=5.273948e+05
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   21 and name   HN) 3.513 1.543 1.543 weight 1.000 ! spec=NOE, no=532, id=512, vol=4.033111e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HN) 3.507 1.537 1.537 weight 1.000 ! spec=NOE, no=533, id=513, vol=4.079002e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    5 and name HD21) 3.322 1.379 1.379 weight 1.000 ! spec=NOE, no=534, id=514, vol=5.648562e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   23 and name   HN) 3.154 1.243 1.243 weight 1.000 ! spec=NOE, no=535, id=515, vol=7.707033e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   30 and name   HA) 3.118 1.216 1.216 weight 1.000 ! spec=NOE, no=536, id=516, vol=8.248674e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.988 1.116 1.116 weight 1.000 ! spec=NOE, no=537, id=517, vol=1.065701e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.060 1.170 1.170 weight 1.000 ! spec=NOE, no=538, id=518, vol=9.247285e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name   HB) 3.136 1.229 1.229 weight 1.000 ! spec=NOE, no=541, id=521, vol=7.972028e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.513 1.543 1.543 weight 1.000 ! spec=NOE, no=542, id=522, vol=4.032022e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.359 1.410 1.410 weight 1.000 ! spec=NOE, no=543, id=523, vol=5.281717e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name HG23) 3.644 1.660 1.660 weight 1.000 ! spec=NOE, no=544, id=524, vol=3.240841e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   31 and name   HN) 3.254 1.323 1.323 weight 1.000 ! spec=NOE, no=545, id=525, vol=6.393652e+05
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 2.960 1.095 1.095 weight 1.000 ! spec=NOE, no=547, id=527, vol=1.128234e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 3.619 1.637 1.637 weight 1.000 ! spec=NOE, no=552, id=532, vol=3.376536e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name   HA) 3.458 1.495 1.495 weight 1.000 ! spec=NOE, no=560, id=540, vol=4.435963e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 3.181 1.265 1.265 weight 1.000 ! spec=NOE, no=562, id=542, vol=7.316136e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name   HA) 3.026 1.145 1.145 weight 1.000 ! spec=NOE, no=564, id=544, vol=9.874746e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HA) 3.679 1.692 1.692 weight 1.000 ! spec=NOE, no=567, id=547, vol=3.057389e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   16 and name  HB2) 3.005 1.129 1.129 weight 1.000 ! spec=NOE, no=574, id=554, vol=1.029170e+06
assign (segid "   A" and resid   38 and name  HZ2) (segid "   A" and resid   40 and name  HB1) 3.295 1.358 1.358 weight 1.000 ! spec=NOE, no=577, id=557, vol=5.921877e+05
    or (segid "   A" and resid   38 and name  HZ1) (segid "   A" and resid   40 and name  HB1)
    or (segid "   A" and resid   38 and name  HZ3) (segid "   A" and resid   40 and name  HB1)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB1) 3.359 1.410 1.410 weight 1.000 ! spec=NOE, no=578, id=558, vol=5.281323e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.780 1.786 1.786 weight 1.000 ! spec=NOE, no=581, id=561, vol=2.599476e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HD2) 3.271 1.337 1.729 weight 1.000 ! spec=NOE, no=582, id=562, vol=6.195304e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.282 1.347 1.347 weight 1.000 ! spec=NOE, no=583, id=563, vol=6.065709e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HD1) 3.409 1.453 1.453 weight 1.000 ! spec=NOE, no=584, id=564, vol=4.833978e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.053 1.165 1.165 weight 1.000 ! spec=NOE, no=585, id=565, vol=9.373193e+05
assign (segid "   A" and resid   38 and name  HZ2) (segid "   A" and resid   38 and name  HE2) 3.258 1.327 1.327 weight 1.000 ! spec=NOE, no=587, id=567, vol=6.344572e+05
    or (segid "   A" and resid   38 and name  HZ1) (segid "   A" and resid   38 and name  HE2)
    or (segid "   A" and resid   38 and name  HZ3) (segid "   A" and resid   38 and name  HE2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name  HB2) 3.629 1.646 1.646 weight 1.000 ! spec=NOE, no=589, id=569, vol=3.323040e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.920 1.066 1.066 weight 1.000 ! spec=NOE, no=590, id=570, vol=1.224423e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.692 1.704 1.704 weight 1.000 ! spec=NOE, no=591, id=571, vol=2.994498e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.361 1.412 1.412 weight 1.000 ! spec=NOE, no=594, id=574, vol=5.266238e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.724 1.734 1.734 weight 1.000 ! spec=NOE, no=597, id=577, vol=2.842811e+05
assign (segid "   A" and resid    9 and name HD22) (segid "   A" and resid    9 and name  HB2) 3.105 1.205 1.205 weight 1.000 ! spec=NOE, no=598, id=578, vol=8.465286e+05
assign (segid "   A" and resid    9 and name HD21) (segid "   A" and resid    9 and name  HB2) 3.526 1.554 1.554 weight 1.000 ! spec=NOE, no=599, id=579, vol=3.947577e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.161 1.249 1.249 weight 1.000 ! spec=NOE, no=600, id=580, vol=7.599574e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.614 1.632 1.632 weight 1.000 ! spec=NOE, no=602, id=582, vol=3.405565e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.273 1.339 1.339 weight 1.000 ! spec=NOE, no=603, id=583, vol=6.167601e+05
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   19 and name  HB1) 3.414 1.457 1.457 weight 1.000 ! spec=NOE, no=604, id=584, vol=4.789103e+05
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG2) 3.128 1.223 1.223 weight 1.000 ! spec=NOE, no=605, id=585, vol=8.097612e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name  HG2) 3.602 1.621 1.621 weight 1.000 ! spec=NOE, no=606, id=586, vol=3.475669e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   10 and name  HG2) 3.731 1.740 1.740 weight 1.000 ! spec=NOE, no=607, id=587, vol=2.814092e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 3.548 1.573 1.573 weight 1.000 ! spec=NOE, no=610, id=590, vol=3.803888e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.330 1.386 1.386 weight 1.000 ! spec=NOE, no=613, id=593, vol=5.560374e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.170 1.256 1.256 weight 1.000 ! spec=NOE, no=614, id=594, vol=7.478374e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB1) 3.006 1.129 1.129 weight 1.000 ! spec=NOE, no=615, id=595, vol=1.029087e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HB) 3.383 1.431 1.431 weight 1.000 ! spec=NOE, no=616, id=596, vol=5.060783e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 3.151 1.241 1.241 weight 1.000 ! spec=NOE, no=617, id=597, vol=7.744506e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HD2) 3.396 1.441 1.441 weight 1.000 ! spec=NOE, no=618, id=598, vol=4.948670e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HD2) 3.216 1.292 1.292 weight 1.000 ! spec=NOE, no=619, id=599, vol=6.861219e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.964 1.098 1.098 weight 1.000 ! spec=NOE, no=620, id=600, vol=1.119210e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.093 1.196 1.196 weight 1.000 ! spec=NOE, no=621, id=601, vol=8.667172e+05
assign (segid "   A" and resid   14 and name   HE) (segid "   A" and resid   14 and name  HG1) 2.925 1.070 1.070 weight 1.000 ! spec=NOE, no=622, id=602, vol=1.209940e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   31 and name  HB1) 3.073 1.180 1.180 weight 1.000 ! spec=NOE, no=623, id=603, vol=9.013266e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG1) 3.006 1.129 1.129 weight 1.000 ! spec=NOE, no=624, id=604, vol=1.028421e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HG1) 3.018 1.138 1.138 weight 1.000 ! spec=NOE, no=625, id=605, vol=1.004167e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name HG11) 3.429 1.470 1.470 weight 1.000 ! spec=NOE, no=626, id=606, vol=4.668369e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HG2) 3.120 1.217 1.880 weight 1.000 ! spec=NOE, no=627, id=607, vol=8.228481e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG2) 3.089 1.193 1.193 weight 1.000 ! spec=NOE, no=628, id=608, vol=8.723317e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HG1) 3.231 1.305 1.305 weight 1.000 ! spec=NOE, no=629, id=609, vol=6.663545e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HG1) 2.977 1.108 1.108 weight 1.000 ! spec=NOE, no=630, id=610, vol=1.090309e+06
assign (segid "   A" and resid   38 and name  HZ2) (segid "   A" and resid   38 and name  HG1) 3.189 1.271 1.271 weight 1.000 ! spec=NOE, no=631, id=611, vol=7.211387e+05
    or (segid "   A" and resid   38 and name  HZ1) (segid "   A" and resid   38 and name  HG1)
    or (segid "   A" and resid   38 and name  HZ3) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG2) 3.241 1.313 1.313 weight 1.000 ! spec=NOE, no=632, id=612, vol=6.547765e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.338 1.393 1.393 weight 1.000 ! spec=NOE, no=633, id=613, vol=5.484295e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.975 1.106 1.106 weight 1.000 ! spec=NOE, no=634, id=614, vol=1.093664e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name HG23) 3.058 1.169 1.169 weight 1.000 ! spec=NOE, no=635, id=615, vol=9.276043e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HG23) 3.034 1.151 1.151 weight 1.000 ! spec=NOE, no=636, id=616, vol=9.720008e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name HD11) 3.046 1.160 1.160 weight 1.000 ! spec=NOE, no=640, id=620, vol=9.500094e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   13 and name HD12)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   38 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=NOE, no=641, id=621, vol=8.026788e+05
    or (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   38 and name   HN)
    or (segid "   A" and resid   36 and name HG13) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   24 and name   HN) 3.594 1.615 1.615 weight 1.000 ! spec=NOE, no=642, id=622, vol=3.517999e+05
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   24 and name   HN)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name HG23) 3.238 1.310 1.310 weight 1.000 ! spec=NOE, no=643, id=623, vol=6.584288e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG12) 3.346 1.399 1.399 weight 1.000 ! spec=NOE, no=644, id=624, vol=5.408035e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name HD11) 3.783 1.789 1.789 weight 1.000 ! spec=NOE, no=645, id=625, vol=2.587150e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HD11) 3.660 1.674 1.674 weight 1.000 ! spec=NOE, no=646, id=626, vol=3.157481e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HD11) 3.028 1.146 1.146 weight 1.000 ! spec=NOE, no=647, id=627, vol=9.841394e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 3.501 1.532 1.532 weight 1.000 ! spec=NOE, no=648, id=628, vol=4.120265e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name   HA) 3.478 1.512 1.512 weight 1.000 ! spec=NOE, no=649, id=629, vol=4.286421e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name   HA) 2.932 1.075 1.075 weight 1.000 ! spec=NOE, no=652, id=632, vol=1.192749e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 3.018 1.138 1.138 weight 1.000 ! spec=NOE, no=653, id=633, vol=1.003940e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.929 1.072 1.072 weight 1.000 ! spec=NOE, no=654, id=634, vol=1.201671e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HA1) 3.056 1.167 1.167 weight 1.000 ! spec=NOE, no=657, id=637, vol=9.315094e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.193 1.274 1.274 weight 1.000 ! spec=NOE, no=658, id=638, vol=7.159056e+05
assign (segid "   A" and resid    3 and name  HA1) (segid "   A" and resid    4 and name   HN) 2.944 1.083 1.083 weight 1.000 ! spec=NOE, no=659, id=639, vol=1.165759e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HA1) 3.125 1.221 1.221 weight 1.000 ! spec=NOE, no=660, id=640, vol=8.144291e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   36 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=NOE, no=662, id=642, vol=9.309755e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB2) 3.270 1.336 1.336 weight 1.000 ! spec=NOE, no=663, id=643, vol=6.209002e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB1) 2.894 1.047 1.047 weight 1.000 ! spec=NOE, no=664, id=644, vol=1.289883e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name   HN) 3.516 1.545 1.545 weight 1.000 ! spec=NOE, no=665, id=645, vol=4.016360e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HA2) 3.149 1.240 1.240 weight 1.000 ! spec=NOE, no=668, id=648, vol=7.773037e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   12 and name   HA) 2.986 1.115 1.115 weight 1.000 ! spec=NOE, no=669, id=649, vol=1.070016e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.159 1.248 1.248 weight 1.000 ! spec=NOE, no=671, id=651, vol=7.626338e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name   HN) 3.093 1.196 1.196 weight 1.000 ! spec=NOE, no=673, id=653, vol=8.654790e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name   HA) 3.370 1.419 1.419 weight 1.000 ! spec=NOE, no=674, id=654, vol=5.182498e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 3.301 1.362 1.362 weight 1.000 ! spec=NOE, no=675, id=655, vol=5.857827e+05
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   19 and name   HA) 3.165 1.252 1.252 weight 1.000 ! spec=NOE, no=676, id=656, vol=7.541375e+05
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid    9 and name HD21) (segid "   A" and resid    9 and name  HB1) 3.428 1.469 1.469 weight 1.000 ! spec=NOE, no=679, id=659, vol=4.677293e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD22) 3.343 1.397 1.397 weight 1.000 ! spec=NOE, no=680, id=660, vol=5.435582e+05
assign (segid "   A" and resid    3 and name  HA1) (segid "   A" and resid    5 and name HD22) 3.463 1.499 1.499 weight 1.000 ! spec=NOE, no=681, id=661, vol=4.398028e+05
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name HD22) 3.403 1.447 1.447 weight 1.000 ! spec=NOE, no=682, id=662, vol=4.886497e+05
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   32 and name   HN) 3.547 1.572 1.572 weight 1.000 ! spec=NOE, no=691, id=671, vol=3.811445e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD23) 3.325 1.382 1.382 weight 1.000 ! spec=NOE, no=700, id=680, vol=5.612894e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HD22)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HB) 3.152 1.242 1.242 weight 1.000 ! spec=NOE, no=702, id=682, vol=7.727338e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.565 1.589 1.589 weight 1.000 ! spec=NOE, no=710, id=690, vol=3.695161e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HB) 3.376 1.425 1.425 weight 1.000 ! spec=NOE, no=711, id=691, vol=5.123593e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.611 1.630 1.630 weight 1.000 ! spec=NOE, no=717, id=697, vol=3.422786e+05
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name   HE) 2.862 1.024 1.024 weight 1.000 ! spec=NOE, no=719, id=699, vol=1.380168e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HE) 3.050 1.163 1.163 weight 1.000 ! spec=NOE, no=721, id=701, vol=9.415960e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HD1) 2.902 1.053 1.053 weight 1.000 ! spec=NOE, no=723, id=703, vol=1.269995e+06
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   25 and name  HD1) 3.220 1.296 1.296 weight 1.000 ! spec=NOE, no=724, id=704, vol=6.810424e+05
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   25 and name  HE1) 3.240 1.313 1.313 weight 1.000 ! spec=NOE, no=727, id=707, vol=6.551050e+05
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name   HA) 3.289 1.353 1.353 weight 1.000 ! spec=NOE, no=728, id=708, vol=5.986837e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA) 3.021 1.141 1.141 weight 1.000 ! spec=NOE, no=729, id=709, vol=9.975872e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.270 1.337 1.337 weight 1.000 ! spec=NOE, no=731, id=711, vol=6.205095e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=NOE, no=732, id=712, vol=6.928795e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.879 1.036 1.036 weight 1.000 ! spec=NOE, no=733, id=713, vol=1.330880e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 3.061 1.171 1.171 weight 1.000 ! spec=NOE, no=734, id=714, vol=9.219605e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB1) 3.612 1.631 1.631 weight 1.000 ! spec=NOE, no=739, id=719, vol=3.414729e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB2) 3.666 1.679 1.679 weight 1.000 ! spec=NOE, no=740, id=720, vol=3.127176e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   16 and name   HA) 3.203 1.283 1.283 weight 1.000 ! spec=NOE, no=741, id=721, vol=7.019726e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    1 and name  HA1) 3.274 1.340 1.340 weight 1.000 ! spec=NOE, no=742, id=722, vol=6.153725e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HA1) 3.002 1.126 1.126 weight 1.000 ! spec=NOE, no=745, id=725, vol=1.036818e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 3.212 1.289 1.289 weight 1.000 ! spec=NOE, no=746, id=726, vol=6.912097e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.228 1.303 1.303 weight 1.000 ! spec=NOE, no=751, id=731, vol=6.699276e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.207 1.285 1.285 weight 1.000 ! spec=NOE, no=752, id=732, vol=6.976777e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.189 1.271 1.271 weight 1.000 ! spec=NOE, no=753, id=733, vol=7.210949e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.975 1.106 1.106 weight 1.000 ! spec=NOE, no=755, id=735, vol=1.094933e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 3.454 1.491 1.491 weight 1.000 ! spec=NOE, no=756, id=736, vol=4.466579e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 3.424 1.465 1.465 weight 1.000 ! spec=NOE, no=757, id=737, vol=4.710478e+05
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   25 and name  HE1) 3.128 1.223 1.223 weight 1.000 ! spec=NOE, no=758, id=738, vol=8.103929e+05
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HE1) 3.244 1.315 1.315 weight 1.000 ! spec=NOE, no=759, id=739, vol=6.509608e+05
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name  HB1) 3.418 1.460 1.460 weight 1.000 ! spec=NOE, no=761, id=741, vol=4.758969e+05
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB1) 2.960 1.095 1.095 weight 1.000 ! spec=NOE, no=762, id=742, vol=1.128148e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   19 and name  HB1) 3.301 1.362 1.362 weight 1.000 ! spec=NOE, no=763, id=743, vol=5.864773e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 3.018 1.139 1.139 weight 1.000 ! spec=NOE, no=764, id=744, vol=1.003367e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB1) 3.013 1.135 1.135 weight 1.000 ! spec=NOE, no=765, id=745, vol=1.014260e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid    5 and name   HA) 3.639 1.655 1.655 weight 1.000 ! spec=NOE, no=766, id=746, vol=3.266155e+05
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name   HA) 3.475 1.510 1.510 weight 1.000 ! spec=NOE, no=774, id=754, vol=4.306269e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   28 and name  HA1) 3.477 1.511 1.511 weight 1.000 ! spec=NOE, no=777, id=757, vol=4.292986e+05
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   35 and name   HA) 3.586 1.608 1.608 weight 1.000 ! spec=NOE, no=784, id=764, vol=3.565673e+05
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name   HA) 3.137 1.230 1.863 weight 1.000 ! spec=NOE, no=787, id=767, vol=7.960670e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=NOE, no=788, id=768, vol=8.301881e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HA) 2.308 0.666 0.666 weight 1.000 ! spec=NOE, no=790, id=770, vol=5.020028e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name   HA) 2.958 1.094 1.094 weight 1.000 ! spec=NOE, no=791, id=771, vol=1.131610e+06
assign (segid "   A" and resid   28 and name  HA1) (segid "   A" and resid   16 and name   HA) 3.164 1.252 1.252 weight 1.000 ! spec=NOE, no=793, id=773, vol=7.556415e+05
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=NOE, no=794, id=774, vol=9.682144e+05
assign (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   36 and name   HA) 3.363 1.414 1.414 weight 1.000 ! spec=NOE, no=795, id=775, vol=5.240193e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   30 and name  HB1) 3.409 1.453 1.453 weight 1.000 ! spec=NOE, no=796, id=776, vol=4.829668e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HD11) 2.978 1.108 1.108 weight 1.000 ! spec=NOE, no=799, id=779, vol=1.087675e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   36 and name HG23) 2.918 1.064 1.064 weight 1.000 ! spec=NOE, no=800, id=780, vol=1.229599e+06
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   13 and name HD11) 3.085 1.190 1.190 weight 1.000 ! spec=NOE, no=801, id=781, vol=8.798182e+05
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   13 and name HD13)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   13 and name HD12)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   22 and name HG12) 3.330 1.386 1.386 weight 1.000 ! spec=NOE, no=803, id=783, vol=5.564708e+05
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=NOE, no=804, id=784, vol=6.101117e+05
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HB2) 3.157 1.246 1.246 weight 1.000 ! spec=NOE, no=805, id=785, vol=7.662986e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   39 and name  HB1) 3.403 1.448 1.448 weight 1.000 ! spec=NOE, no=806, id=786, vol=4.881737e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   39 and name  HB1) 3.191 1.273 1.273 weight 1.000 ! spec=NOE, no=807, id=787, vol=7.184753e+05
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   19 and name  HB1) 2.938 1.079 1.079 weight 1.000 ! spec=NOE, no=810, id=790, vol=1.180476e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   19 and name  HB2) 3.420 1.462 1.462 weight 1.000 ! spec=NOE, no=811, id=791, vol=4.738019e+05
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   22 and name   HB) 3.000 1.125 1.125 weight 1.000 ! spec=NOE, no=813, id=793, vol=1.041463e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   39 and name  HB2) 3.115 1.213 1.213 weight 1.000 ! spec=NOE, no=814, id=794, vol=8.298768e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   14 and name  HB1) 3.115 1.213 1.213 weight 1.000 ! spec=NOE, no=815, id=795, vol=8.296794e+05
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name  HB2) 2.877 1.035 1.035 weight 1.000 ! spec=NOE, no=819, id=799, vol=1.337934e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HG2) 2.575 0.829 0.829 weight 1.000 ! spec=NOE, no=821, id=801, vol=2.604704e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   19 and name  HB1) 2.587 0.836 0.836 weight 1.000 ! spec=NOE, no=822, id=802, vol=2.532867e+06
assign (segid "   A" and resid   27 and name  HA2) (segid "   A" and resid   19 and name  HB1) 3.488 1.521 1.521 weight 1.000 ! spec=NOE, no=824, id=804, vol=4.210304e+05
assign (segid "   A" and resid   27 and name  HA2) (segid "   A" and resid   19 and name  HB2) 3.291 1.354 1.354 weight 1.000 ! spec=NOE, no=825, id=805, vol=5.973359e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   16 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=NOE, no=830, id=810, vol=4.901641e+05
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   19 and name   HA) 3.322 1.379 1.379 weight 1.000 ! spec=NOE, no=834, id=814, vol=5.643851e+05
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name   HA) 3.272 1.338 1.338 weight 1.000 ! spec=NOE, no=836, id=816, vol=6.178703e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid   18 and name  HB2) 3.065 1.174 1.174 weight 1.000 ! spec=NOE, no=843, id=823, vol=9.156077e+05
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   34 and name  HA1) 2.948 1.086 1.086 weight 1.000 ! spec=NOE, no=844, id=824, vol=1.155725e+06
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid    6 and name  HA1) 3.267 1.334 1.334 weight 1.000 ! spec=NOE, no=845, id=825, vol=6.239661e+05
assign (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid    7 and name  HG1) 3.371 1.421 1.421 weight 1.000 ! spec=NOE, no=846, id=826, vol=5.166449e+05
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   19 and name   HA) 3.121 1.218 1.218 weight 1.000 ! spec=NOE, no=847, id=827, vol=8.207566e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   25 and name  HB2) 3.284 1.348 1.348 weight 1.000 ! spec=NOE, no=849, id=829, vol=6.045142e+05
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HA) 2.972 1.104 1.104 weight 1.000 ! spec=NOE, no=851, id=831, vol=1.101334e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   38 and name   HA) 3.565 1.589 1.589 weight 1.000 ! spec=NOE, no=854, id=834, vol=3.692653e+05
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG11) 2.453 0.752 0.752 weight 1.000 ! spec=NOE, no=857, id=837, vol=3.481187e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   36 and name HG23) 2.794 0.975 0.975 weight 1.000 ! spec=NOE, no=858, id=838, vol=1.595918e+06
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HD1) 3.672 1.686 1.686 weight 1.000 ! spec=NOE, no=864, id=844, vol=3.091876e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   27 and name  HA2) 2.940 1.080 1.080 weight 1.000 ! spec=NOE, no=865, id=845, vol=1.175066e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   37 and name  HB1) 2.982 1.111 1.111 weight 1.000 ! spec=NOE, no=866, id=846, vol=1.079139e+06
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name   HA) 3.000 1.125 1.125 weight 1.000 ! spec=NOE, no=869, id=849, vol=1.040455e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   17 and name   HN) 3.677 1.690 1.690 weight 1.000 ! spec=NOE, no=870, id=850, vol=3.068555e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HN) 2.256 0.636 0.636 weight 1.000 ! spec=NOE, no=872, id=852, vol=5.753108e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=NOE, no=873, id=853, vol=1.713954e+06
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   28 and name  HA1) (segid "   A" and resid   19 and name  HB2) 3.237 1.310 1.310 weight 1.000 ! spec=NOE, no=874, id=854, vol=6.588329e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    5 and name  HB1) 3.565 1.589 1.589 weight 1.000 ! spec=NOE, no=876, id=856, vol=3.693327e+05
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid    7 and name   HA) 3.118 1.215 1.215 weight 1.000 ! spec=NOE, no=877, id=857, vol=8.251438e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   12 and name   HA) 3.500 1.531 1.531 weight 1.000 ! spec=NOE, no=878, id=858, vol=4.126487e+05
assign (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   13 and name  HB1) 4.059 2.059 2.059 weight 1.000 ! spec=NOE, no=879, id=859, vol=1.696270e+05
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   22 and name HG23) 2.446 0.748 0.748 weight 1.000 ! spec=NOE, no=880, id=860, vol=3.539755e+06
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   22 and name HG22)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   22 and name HG23)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name  HB1) 3.017 1.138 1.138 weight 1.000 ! spec=NOE, no=882, id=862, vol=1.005261e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name   HN) 3.690 1.702 1.702 weight 1.000 ! spec=NOE, no=884, id=864, vol=3.003655e+05
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   10 and name  HB2) 2.979 1.109 1.109 weight 1.000 ! spec=NOE, no=885, id=865, vol=1.085401e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   10 and name  HB1) 3.315 1.374 1.374 weight 1.000 ! spec=NOE, no=886, id=866, vol=5.715960e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HN) 3.368 1.418 1.418 weight 1.000 ! spec=NOE, no=889, id=869, vol=5.192458e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   39 and name   HA) 4.145 2.148 2.148 weight 1.000 ! spec=NOE, no=890, id=870, vol=1.494755e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   37 and name   HA) 4.581 2.623 2.623 weight 1.000 ! spec=NOE, no=891, id=871, vol=8.205949e+04
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   37 and name   HA) 3.898 1.899 1.899 weight 1.000 ! spec=NOE, no=892, id=872, vol=2.163626e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   38 and name   HA) 4.299 2.310 2.310 weight 1.000 ! spec=NOE, no=893, id=873, vol=1.202037e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 3.999 1.999 1.999 weight 1.000 ! spec=NOE, no=894, id=874, vol=1.854631e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name   HN) 3.788 1.794 1.794 weight 1.000 ! spec=NOE, no=895, id=875, vol=2.566850e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.872 1.874 1.874 weight 1.000 ! spec=NOE, no=896, id=876, vol=2.251940e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   35 and name   HA) 2.980 1.110 1.110 weight 1.000 ! spec=NOE, no=897, id=877, vol=1.083820e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   37 and name  HB2) 2.674 0.894 0.894 weight 1.000 ! spec=NOE, no=900, id=880, vol=2.074259e+06
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD2) 2.307 0.665 0.665 weight 1.000 ! spec=NOE, no=901, id=881, vol=5.030559e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   37 and name  HB1) 2.798 0.979 0.979 weight 1.000 ! spec=NOE, no=902, id=882, vol=1.580684e+06
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid   37 and name  HB1)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HD2) 2.365 0.699 0.699 weight 1.000 ! spec=NOE, no=904, id=884, vol=4.338478e+06
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid    2 and name  HD2) 3.801 1.806 1.806 weight 1.000 ! spec=NOE, no=907, id=887, vol=2.515255e+05
    or (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid    2 and name  HE2) 2.850 1.015 1.015 weight 1.000 ! spec=NOE, no=908, id=888, vol=1.414940e+06
    or (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid    2 and name  HE1)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HD2) 2.774 0.962 0.962 weight 1.000 ! spec=NOE, no=909, id=889, vol=1.664369e+06
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HD2) 2.285 0.653 0.653 weight 1.000 ! spec=NOE, no=911, id=891, vol=5.326649e+06
    or (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    3 and name   HN) 3.446 1.485 1.485 weight 1.000 ! spec=NOE, no=912, id=892, vol=4.527480e+05
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid    2 and name  HD2) 3.921 1.922 1.922 weight 1.000 ! spec=NOE, no=913, id=893, vol=2.086799e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HE2) 1.925 0.463 0.463 weight 1.000 ! spec=NOE, no=915, id=895, vol=1.490265e+07
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HE1)
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HE2)
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HE1)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HE1) 2.727 0.930 0.930 weight 1.000 ! spec=NOE, no=917, id=897, vol=1.843238e+06
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   26 and name  HD2) 3.285 1.349 1.349 weight 1.000 ! spec=NOE, no=918, id=898, vol=6.039417e+05
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   26 and name  HD2)
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   26 and name  HG1) 2.917 1.064 1.064 weight 1.000 ! spec=NOE, no=919, id=899, vol=1.230327e+06
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   26 and name  HG1)
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   26 and name  HB1) 3.419 1.461 1.461 weight 1.000 ! spec=NOE, no=920, id=900, vol=4.747571e+05
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name  HD2) 2.347 0.689 0.689 weight 1.000 ! spec=NOE, no=923, id=903, vol=4.537423e+06
    or (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   40 and name  HD1)
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HD2) 2.326 0.676 0.676 weight 1.000 ! spec=NOE, no=924, id=904, vol=4.790794e+06
    or (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HD1)
assign (segid "   A" and resid   40 and name  HD2) (segid "   A" and resid   40 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=NOE, no=926, id=906, vol=1.889365e+06
    or (segid "   A" and resid   40 and name  HD1) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   30 and name   HN) 3.220 1.296 1.296 weight 1.000 ! spec=NOE, no=928, id=908, vol=6.801685e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   30 and name   HN)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD2) 2.399 0.720 0.720 weight 1.000 ! spec=NOE, no=929, id=909, vol=3.974865e+06
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   31 and name  HB1) 2.920 1.066 1.066 weight 1.000 ! spec=NOE, no=931, id=911, vol=1.222775e+06
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   31 and name  HB3)
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HD2) 2.845 1.012 1.012 weight 1.000 ! spec=NOE, no=933, id=913, vol=1.430319e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HD2) 3.311 1.370 1.370 weight 1.000 ! spec=NOE, no=935, id=915, vol=5.758528e+05
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD2) 2.358 0.695 0.695 weight 1.000 ! spec=NOE, no=936, id=916, vol=4.415317e+06
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   38 and name  HB2) 3.635 1.652 1.652 weight 1.000 ! spec=NOE, no=940, id=920, vol=3.288335e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   33 and name  HA2) (segid "   A" and resid   35 and name  HD1) 3.325 1.382 1.382 weight 1.000 ! spec=NOE, no=942, id=922, vol=5.611654e+05
    or (segid "   A" and resid   33 and name  HA2) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   35 and name  HB2) 2.282 0.651 0.651 weight 1.000 ! spec=NOE, no=943, id=923, vol=5.377402e+06
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   35 and name  HB2)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid    6 and name  HA1) 3.163 1.250 1.250 weight 1.000 ! spec=NOE, no=945, id=925, vol=7.578865e+05
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid    6 and name  HA1)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   36 and name HG23) 3.510 1.540 1.540 weight 1.000 ! spec=NOE, no=946, id=926, vol=4.059419e+05
    or (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   36 and name HG22)
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   36 and name HG23)
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   36 and name HG21)
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   36 and name HG22)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid    5 and name   HA) 3.715 1.725 1.725 weight 1.000 ! spec=NOE, no=947, id=927, vol=2.885669e+05
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   35 and name  HD1) (segid "   A" and resid   35 and name   HA) 2.607 0.850 0.850 weight 1.000 ! spec=NOE, no=949, id=929, vol=2.416056e+06
    or (segid "   A" and resid   35 and name  HD2) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid   35 and name  HD1) 3.169 1.255 1.255 weight 1.000 ! spec=NOE, no=951, id=931, vol=7.492626e+05
    or (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HD1) 2.222 0.617 0.617 weight 1.000 ! spec=NOE, no=953, id=933, vol=6.303954e+06
    or (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HD2)
assign (segid "   A" and resid   29 and name  HE2) (segid "   A" and resid   38 and name  HB2) 3.059 1.170 1.170 weight 1.000 ! spec=NOE, no=956, id=936, vol=9.256507e+05
    or (segid "   A" and resid   29 and name  HE1) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   29 and name  HE2) 2.532 0.801 0.801 weight 1.000 ! spec=NOE, no=960, id=940, vol=2.881683e+06
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   29 and name  HE1)
    or (segid "   A" and resid   31 and name  HB3) (segid "   A" and resid   29 and name  HE2)
    or (segid "   A" and resid   31 and name  HB3) (segid "   A" and resid   29 and name  HE1)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   29 and name  HE2)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   29 and name  HE1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HE2) 3.839 1.842 1.842 weight 1.000 ! spec=NOE, no=961, id=941, vol=2.369003e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HE1)
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HE2) 2.858 1.021 1.021 weight 1.000 ! spec=NOE, no=962, id=942, vol=1.391594e+06
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HE1)
assign (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   26 and name  HB1) 3.049 1.162 1.162 weight 1.000 ! spec=NOE, no=963, id=943, vol=9.432225e+05
    or (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   40 and name  HE2) 2.794 0.976 0.976 weight 1.000 ! spec=NOE, no=967, id=947, vol=1.594610e+06
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HE2) 3.645 1.661 1.661 weight 1.000 ! spec=NOE, no=968, id=948, vol=3.235367e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid   40 and name  HE2) (segid "   A" and resid   28 and name   HN) 2.837 1.006 1.006 weight 1.000 ! spec=NOE, no=970, id=950, vol=1.453957e+06
    or (segid "   A" and resid   40 and name  HE1) (segid "   A" and resid   28 and name   HN)
assign (segid "   A" and resid    2 and name  HE2) (segid "   A" and resid    2 and name  HB2) 3.405 1.449 1.449 weight 1.000 ! spec=NOE, no=974, id=954, vol=4.870749e+05
    or (segid "   A" and resid    2 and name  HE1) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid   35 and name  HE1) 3.080 1.186 1.186 weight 1.000 ! spec=NOE, no=978, id=958, vol=8.882111e+05
    or (segid "   A" and resid    6 and name  HA2) (segid "   A" and resid   35 and name  HE2)
assign (segid "   A" and resid   35 and name  HE1) (segid "   A" and resid    6 and name  HA1) 2.948 1.086 1.086 weight 1.000 ! spec=NOE, no=979, id=959, vol=1.155678e+06
    or (segid "   A" and resid   35 and name  HE2) (segid "   A" and resid    6 and name  HA1)
assign (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   13 and name HD23) 2.771 0.960 0.960 weight 1.000 ! spec=NOE, no=980, id=960, vol=1.673723e+06
    or (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   13 and name HD21)
    or (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   13 and name HD22)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HD2) 3.117 1.214 1.214 weight 1.000 ! spec=NOE, no=981, id=961, vol=8.272816e+05
assign (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   16 and name  HD2) 3.168 1.255 1.255 weight 1.000 ! spec=NOE, no=982, id=962, vol=7.502648e+05
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   16 and name  HD2)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   16 and name  HD2)
assign (segid "   A" and resid   16 and name  HD2) (segid "   A" and resid   16 and name  HB1) 2.847 1.013 1.013 weight 1.000 ! spec=NOE, no=984, id=964, vol=1.424668e+06
assign (segid "   A" and resid   16 and name  HE1) (segid "   A" and resid   27 and name  HA2) 3.572 1.595 1.595 weight 1.000 ! spec=NOE, no=988, id=968, vol=3.648935e+05
assign (segid "   A" and resid   16 and name  HE1) (segid "   A" and resid   27 and name  HA1) 3.664 1.678 1.678 weight 1.000 ! spec=NOE, no=989, id=969, vol=3.135405e+05
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name  HD2) 3.059 1.170 1.170 weight 1.000 ! spec=NOE, no=990, id=970, vol=9.258209e+05
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   19 and name   HN) 3.072 1.179 1.179 weight 1.000 ! spec=NOE, no=992, id=972, vol=9.033329e+05
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid    2 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=NOE, no=993, id=973, vol=6.807752e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name  HD2) 2.748 0.944 0.944 weight 1.000 ! spec=NOE, no=994, id=974, vol=1.759842e+06
assign (segid "   A" and resid   18 and name  HD2) (segid "   A" and resid   18 and name  HB1) 2.741 0.939 0.939 weight 1.000 ! spec=NOE, no=995, id=975, vol=1.788069e+06
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HE2) 3.131 1.226 1.226 weight 1.000 ! spec=NOE, no=997, id=977, vol=8.044900e+05
    or (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid   22 and name HD11) 2.619 0.857 0.857 weight 1.000 ! spec=NOE, no=1000, id=980, vol=2.349921e+06
    or (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid   22 and name HD12)
    or (segid "   A" and resid   18 and name  HE1) (segid "   A" and resid   22 and name HD13)
assign (segid "   A" and resid   27 and name  HA1) (segid "   A" and resid   40 and name  HE2) 3.178 1.262 1.262 weight 1.000 ! spec=NOE, no=1002, id=982, vol=7.365729e+05
    or (segid "   A" and resid   27 and name  HA1) (segid "   A" and resid   40 and name  HE1)
assign (segid "   A" and resid    8 and name  HE1) (segid "   A" and resid    8 and name  HZ2) 3.187 1.270 1.270 weight 1.000 ! spec=NOE, no=1004, id=984, vol=7.234595e+05
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    9 and name  HB2) 3.069 1.177 1.177 weight 1.000 ! spec=NOE, no=1005, id=985, vol=9.083449e+05
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name  HB2) 3.441 1.480 1.480 weight 1.000 ! spec=NOE, no=1007, id=987, vol=4.571192e+05
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   5.669  -0.154   4.039
    2    H2   GLY   1           HT2      GLY   1   5.787   0.698   5.498
    3    H3   GLY   1           HT3      GLY   1   4.347   0.733   4.611
    4    HA2  GLY   1           HA1      GLY   1   5.517  -1.663   5.908
    5    HA3  GLY   1           HA2      GLY   1   4.150  -0.739   6.516
    6    H    PHE   2           HN       PHE   2   3.405  -3.130   6.303
    7    HA   PHE   2           HA       PHE   2   2.025  -4.655   5.333
    8    HB2  PHE   2           HB2      PHE   2   0.947  -2.254   3.838
    9    HB3  PHE   2           HB1      PHE   2   0.090  -3.750   4.195
   10    HD1  PHE   2           HD1      PHE   2   0.123  -4.336   6.825
   11    HD2  PHE   2           HD2      PHE   2   0.429  -0.446   5.127
   12    HE1  PHE   2           HE1      PHE   2  -0.685  -3.359   8.932
   13    HE2  PHE   2           HE2      PHE   2  -0.377   0.537   7.236
   14    HZ   PHE   2           HZ       PHE   2  -0.935  -0.919   9.141
   15    H    GLY   3           HN       GLY   3   4.083  -5.364   4.222
   16    HA2  GLY   3           HA2      GLY   3   4.824  -6.503   2.343
   17    HA3  GLY   3           HA1      GLY   3   3.525  -5.763   1.417
   18    H    CYS   4           HN       CYS   4   3.967  -3.120   1.806
   19    HA   CYS   4           HA       CYS   4   6.154  -2.641   0.030
   20    HB2  CYS   4           HB2      CYS   4   4.016  -1.371  -0.022
   21    HB3  CYS   4           HB1      CYS   4   4.434  -0.660   1.533
   22    H    ASN   5           HN       ASN   5   8.207  -2.379   0.605
   23    HA   ASN   5           HA       ASN   5   8.761  -1.526   3.374
   24    HB2  ASN   5           HB2      ASN   5  10.249  -3.370   1.531
   25    HB3  ASN   5           HB1      ASN   5  11.087  -2.560   2.847
   26   HD21  ASN   5          HD21      ASN   5   7.759  -3.676   2.985
   27   HD22  ASN   5          HD22      ASN   5   8.035  -4.914   4.160
   28    H    GLY   6           HN       GLY   6   8.469  -0.143   0.554
   29    HA2  GLY   6           HA2      GLY   6   9.260   2.189   0.513
   30    HA3  GLY   6           HA1      GLY   6  10.839   1.559   0.931
   31    HA   PRO   7           HA       PRO   7  10.346   2.426  -3.679
   32    HB2  PRO   7           HB2      PRO   7  13.011   3.257  -3.822
   33    HB3  PRO   7           HB1      PRO   7  11.597   4.303  -3.720
   34    HG2  PRO   7           HG2      PRO   7  13.455   3.416  -1.573
   35    HG3  PRO   7           HG1      PRO   7  12.630   4.972  -1.776
   36    HD2  PRO   7           HD2      PRO   7  11.797   3.174   0.021
   37    HD3  PRO   7           HD1      PRO   7  10.641   4.171  -0.886
   38    H    TRP   8           HN       TRP   8  12.858   0.781  -1.837
   39    HA   TRP   8           HA       TRP   8  13.959  -0.584  -4.099
   40    HB2  TRP   8           HB2      TRP   8  15.335  -1.760  -2.539
   41    HB3  TRP   8           HB1      TRP   8  15.201  -0.106  -1.958
   42    HD1  TRP   8           HD1      TRP   8  13.124   0.167   0.021
   43    HE1  TRP   8           HE1      TRP   8  12.715  -1.385   2.029
   44    HE3  TRP   8           HE3      TRP   8  15.565  -3.990  -1.668
   45    HZ2  TRP   8           HZ2      TRP   8  13.340  -4.031   2.792
   46    HZ3  TRP   8           HZ3      TRP   8  15.610  -5.992  -0.240
   47    HH2  TRP   8           HH2      TRP   8  14.520  -6.010   1.944
   48    H    ASN   9           HN       ASN   9  11.277  -1.116  -2.027
   49    HA   ASN   9           HA       ASN   9  10.633  -3.612  -3.348
   50    HB2  ASN   9           HB2      ASN   9  12.086  -4.268  -1.416
   51    HB3  ASN   9           HB1      ASN   9  10.927  -3.511  -0.333
   52   HD21  ASN   9          HD21      ASN   9   8.915  -4.514  -0.002
   53   HD22  ASN   9          HD22      ASN   9   8.638  -6.167  -0.423
   54    H    GLU  10           HN       GLU  10   9.103  -1.871  -4.020
   55    HA   GLU  10           HA       GLU  10   7.074  -1.146  -2.073
   56    HB2  GLU  10           HB2      GLU  10   7.024  -0.661  -5.055
   57    HB3  GLU  10           HB1      GLU  10   6.087   0.169  -3.825
   58    HG2  GLU  10           HG2      GLU  10   8.114   1.202  -2.950
   59    HG3  GLU  10           HG1      GLU  10   9.074   0.324  -4.144
   60    H    ASP  11           HN       ASP  11   4.858  -1.805  -2.266
   61    HA   ASP  11           HA       ASP  11   4.352  -4.040  -4.070
   62    HB2  ASP  11           HB2      ASP  11   5.230  -4.846  -1.773
   63    HB3  ASP  11           HB1      ASP  11   3.652  -4.353  -1.164
   64    H    ASP  12           HN       ASP  12   2.803  -3.004  -5.163
   65    HA   ASP  12           HA       ASP  12   0.835  -1.315  -4.053
   66    HB2  ASP  12           HB2      ASP  12   1.476  -1.242  -6.419
   67    HB3  ASP  12           HB1      ASP  12   0.839  -2.863  -6.655
   68    H    LEU  13           HN       LEU  13   1.046  -4.759  -4.426
   69    HA   LEU  13           HA       LEU  13  -1.778  -5.230  -4.384
   70    HB2  LEU  13           HB2      LEU  13  -0.034  -6.683  -5.479
   71    HB3  LEU  13           HB1      LEU  13   0.426  -7.218  -3.884
   72    HG   LEU  13           HG       LEU  13  -1.198  -8.680  -5.309
   73   HD11  LEU  13          HD11      LEU  13  -2.198  -9.552  -3.325
   74   HD12  LEU  13          HD12      LEU  13  -1.829  -8.065  -2.452
   75   HD13  LEU  13          HD13      LEU  13  -0.521  -9.111  -3.007
   76   HD21  LEU  13          HD21      LEU  13  -3.542  -8.215  -4.970
   77   HD22  LEU  13          HD22      LEU  13  -2.783  -6.857  -5.801
   78   HD23  LEU  13          HD23      LEU  13  -3.149  -6.747  -4.079
   79    H    ARG  14           HN       ARG  14   0.851  -5.873  -2.043
   80    HA   ARG  14           HA       ARG  14  -0.806  -6.756   0.046
   81    HB2  ARG  14           HB2      ARG  14   1.928  -5.604  -0.058
   82    HB3  ARG  14           HB1      ARG  14   1.113  -5.577   1.490
   83    HG2  ARG  14           HG2      ARG  14   2.272  -7.538   1.611
   84    HG3  ARG  14           HG1      ARG  14   0.706  -8.093   1.025
   85    HD2  ARG  14           HD2      ARG  14   2.527  -7.330  -1.112
   86    HD3  ARG  14           HD1      ARG  14   3.147  -8.638  -0.108
   87    HE   ARG  14           HE       ARG  14   0.517  -9.246  -0.713
   88   HH11  ARG  14          HH11      ARG  14   3.456  -8.647  -2.514
   89   HH12  ARG  14          HH12      ARG  14   3.140  -9.887  -3.696
   90   HH21  ARG  14          HH21      ARG  14   0.099 -10.896  -2.274
   91   HH22  ARG  14          HH22      ARG  14   1.234 -11.153  -3.563
   92    H    CYS  15           HN       CYS  15   0.300  -3.423  -0.659
   93    HA   CYS  15           HA       CYS  15  -1.024  -2.137   1.416
   94    HB2  CYS  15           HB2      CYS  15  -0.438  -1.190  -1.393
   95    HB3  CYS  15           HB1      CYS  15  -0.951  -0.157  -0.083
   96    H    HIS  16           HN       HIS  16  -2.109  -2.881  -1.884
   97    HA   HIS  16           HA       HIS  16  -4.688  -1.875  -1.809
   98    HB2  HIS  16           HB2      HIS  16  -3.880  -2.668  -3.877
   99    HB3  HIS  16           HB1      HIS  16  -3.457  -4.234  -3.216
  100    HD1  HIS  16           HD1      HIS  16  -6.539  -2.237  -4.202
  101    HD2  HIS  16           HD2      HIS  16  -5.331  -6.166  -3.560
  102    HE1  HIS  16           HE1      HIS  16  -8.477  -3.665  -4.915
  103    HE2  HIS  16           HE2      HIS  16  -7.631  -6.029  -4.740
  104    H    ASN  17           HN       ASN  17  -3.586  -5.122  -0.866
  105    HA   ASN  17           HA       ASN  17  -6.112  -6.113  -0.164
  106    HB2  ASN  17           HB2      ASN  17  -3.327  -6.923   0.630
  107    HB3  ASN  17           HB1      ASN  17  -4.748  -7.792   1.185
  108   HD21  ASN  17          HD21      ASN  17  -2.708  -8.891  -0.391
  109   HD22  ASN  17          HD22      ASN  17  -3.359  -9.290  -1.951
  110    H    HIS  18           HN       HIS  18  -3.717  -4.347   1.703
  111    HA   HIS  18           HA       HIS  18  -5.013  -4.653   4.211
  112    HB2  HIS  18           HB2      HIS  18  -2.700  -3.983   4.186
  113    HB3  HIS  18           HB1      HIS  18  -3.062  -2.577   3.195
  114    HD1  HIS  18           HD1      HIS  18  -4.223  -3.855   6.610
  115    HD2  HIS  18           HD2      HIS  18  -3.090  -0.344   4.684
  116    HE1  HIS  18           HE1      HIS  18  -4.378  -2.044   8.351
  117    HE2  HIS  18           HE2      HIS  18  -3.718   0.076   7.157
  118    H    CYS  19           HN       CYS  19  -5.094  -2.097   1.751
  119    HA   CYS  19           HA       CYS  19  -6.792  -0.411   3.274
  120    HB2  CYS  19           HB2      CYS  19  -6.097  -0.384   0.339
  121    HB3  CYS  19           HB1      CYS  19  -6.977   0.895   1.170
  122    H    LYS  20           HN       LYS  20  -7.428  -2.855   0.791
  123    HA   LYS  20           HA       LYS  20 -10.187  -2.110   0.536
  124    HB2  LYS  20           HB2      LYS  20 -10.461  -4.011  -0.868
  125    HB3  LYS  20           HB1      LYS  20  -8.887  -3.330  -1.244
  126    HG2  LYS  20           HG2      LYS  20  -7.771  -5.055  -0.047
  127    HG3  LYS  20           HG1      LYS  20  -9.291  -5.660   0.612
  128    HD2  LYS  20           HD2      LYS  20 -10.015  -6.155  -1.729
  129    HD3  LYS  20           HD1      LYS  20  -8.392  -5.721  -2.266
  130    HE2  LYS  20           HE2      LYS  20  -7.444  -7.491  -0.896
  131    HE3  LYS  20           HE1      LYS  20  -9.046  -7.900  -0.284
  132    HZ1  LYS  20           HZ1      LYS  20  -8.140  -8.133  -3.100
  133    HZ2  LYS  20           HZ2      LYS  20  -9.702  -8.470  -2.553
  134    HZ3  LYS  20           HZ3      LYS  20  -8.401  -9.410  -2.023
  135    H    SER  21           HN       SER  21  -8.463  -3.672   2.937
  136    HA   SER  21           HA       SER  21 -10.639  -5.355   3.842
  137    HB2  SER  21           HB2      SER  21  -8.212  -5.946   4.186
  138    HB3  SER  21           HB1      SER  21  -8.099  -4.593   5.312
  139    HG   SER  21           HG       SER  21  -9.842  -5.646   6.498
  140    H    ILE  22           HN       ILE  22  -9.814  -2.122   3.951
  141    HA   ILE  22           HA       ILE  22 -11.322  -1.621   6.421
  142    HB   ILE  22           HB       ILE  22  -9.649   0.331   4.830
  143   HG12  ILE  22          HG12      ILE  22  -8.895  -1.118   7.377
  144   HG13  ILE  22          HG11      ILE  22  -8.308  -1.558   5.775
  145   HG21  ILE  22          HG21      ILE  22 -11.372   1.363   6.208
  146   HG22  ILE  22          HG22      ILE  22  -9.768   1.696   6.859
  147   HG23  ILE  22          HG23      ILE  22 -10.790   0.477   7.617
  148   HD11  ILE  22          HD11      ILE  22  -7.833   1.063   7.173
  149   HD12  ILE  22          HD12      ILE  22  -7.240   0.627   5.572
  150   HD13  ILE  22          HD13      ILE  22  -6.667  -0.248   6.991
  151    H    LYS  23           HN       LYS  23 -13.408  -1.227   6.084
  152    HA   LYS  23           HA       LYS  23 -14.624  -0.818   3.631
  153    HB2  LYS  23           HB2      LYS  23 -15.664  -1.514   5.863
  154    HB3  LYS  23           HB1      LYS  23 -15.747   0.204   6.218
  155    HG2  LYS  23           HG2      LYS  23 -17.156   0.576   4.294
  156    HG3  LYS  23           HG1      LYS  23 -17.019  -1.125   3.852
  157    HD2  LYS  23           HD2      LYS  23 -18.202  -0.127   6.440
  158    HD3  LYS  23           HD1      LYS  23 -19.146  -0.557   5.013
  159    HE2  LYS  23           HE2      LYS  23 -17.326  -2.413   6.546
  160    HE3  LYS  23           HE1      LYS  23 -19.084  -2.379   6.653
  161    HZ1  LYS  23           HZ1      LYS  23 -18.379  -4.131   5.187
  162    HZ2  LYS  23           HZ2      LYS  23 -17.485  -3.053   4.242
  163    HZ3  LYS  23           HZ3      LYS  23 -19.172  -2.942   4.281
  164    H    GLY  24           HN       GLY  24 -15.040   0.890   2.403
  165    HA2  GLY  24           HA2      GLY  24 -15.513   3.279   2.191
  166    HA3  GLY  24           HA1      GLY  24 -14.294   3.555   3.426
  167    H    TYR  25           HN       TYR  25 -12.382   1.686   2.378
  168    HA   TYR  25           HA       TYR  25 -11.420   3.306   0.125
  169    HB2  TYR  25           HB2      TYR  25  -9.905   1.381   1.904
  170    HB3  TYR  25           HB1      TYR  25  -9.202   2.405   0.660
  171    HD1  TYR  25           HD1      TYR  25  -9.911   2.117   4.089
  172    HD2  TYR  25           HD2      TYR  25  -9.632   4.987   0.965
  173    HE1  TYR  25           HE1      TYR  25  -9.562   3.886   5.758
  174    HE2  TYR  25           HE2      TYR  25  -9.283   6.767   2.626
  175    HH   TYR  25           HH       TYR  25  -9.726   7.198   4.995
  176    H    LYS  26           HN       LYS  26 -10.197   2.152  -1.582
  177    HA   LYS  26           HA       LYS  26 -11.154  -0.604  -1.980
  178    HB2  LYS  26           HB2      LYS  26 -11.200  -0.059  -4.474
  179    HB3  LYS  26           HB1      LYS  26 -12.523   0.552  -3.495
  180    HG2  LYS  26           HG2      LYS  26 -10.152   2.269  -4.104
  181    HG3  LYS  26           HG1      LYS  26 -11.437   2.054  -5.293
  182    HD2  LYS  26           HD2      LYS  26 -13.073   2.814  -3.593
  183    HD3  LYS  26           HD1      LYS  26 -11.731   3.127  -2.490
  184    HE2  LYS  26           HE2      LYS  26 -10.785   4.661  -4.229
  185    HE3  LYS  26           HE1      LYS  26 -12.284   4.461  -5.133
  186    HZ1  LYS  26           HZ1      LYS  26 -11.979   5.606  -2.414
  187    HZ2  LYS  26           HZ2      LYS  26 -13.471   5.297  -3.154
  188    HZ3  LYS  26           HZ3      LYS  26 -12.419   6.435  -3.823
  189    H    GLY  27           HN       GLY  27  -8.596   1.739  -2.358
  190    HA2  GLY  27           HA2      GLY  27  -6.842  -0.490  -3.153
  191    HA3  GLY  27           HA1      GLY  27  -6.822   1.000  -4.081
  192    H    GLY  28           HN       GLY  28  -4.515   0.127  -3.069
  193    HA2  GLY  28           HA2      GLY  28  -3.812   2.276  -1.264
  194    HA3  GLY  28           HA1      GLY  28  -3.587   0.657  -0.609
  195    H    TYR  29           HN       TYR  29  -1.673   2.862  -1.442
  196    HA   TYR  29           HA       TYR  29   0.175   1.131  -2.866
  197    HB2  TYR  29           HB2      TYR  29   0.602   2.655  -4.686
  198    HB3  TYR  29           HB1      TYR  29  -1.120   2.300  -4.657
  199    HD1  TYR  29           HD1      TYR  29  -2.453   4.079  -3.042
  200    HD2  TYR  29           HD2      TYR  29   1.154   4.823  -5.172
  201    HE1  TYR  29           HE1      TYR  29  -2.940   6.486  -3.015
  202    HE2  TYR  29           HE2      TYR  29   0.675   7.232  -5.150
  203    HH   TYR  29           HH       TYR  29  -1.299   8.706  -4.966
  204    H    CYS  30           HN       CYS  30   2.361   1.977  -2.888
  205    HA   CYS  30           HA       CYS  30   3.054   3.214  -0.427
  206    HB2  CYS  30           HB2      CYS  30   4.890   2.865  -2.796
  207    HB3  CYS  30           HB1      CYS  30   5.314   2.896  -1.090
  208    H    ALA  31           HN       ALA  31   2.370   5.285  -0.209
  209    HA   ALA  31           HA       ALA  31   2.873   7.158  -2.404
  210    HB1  ALA  31           HB1      ALA  31   0.593   7.065  -1.541
  211    HB2  ALA  31           HB2      ALA  31   1.318   8.649  -1.274
  212    HB3  ALA  31           HB3      ALA  31   1.181   7.507   0.061
  213    H    LYS  32           HN       LYS  32   2.732   7.822   1.069
  214    HA   LYS  32           HA       LYS  32   4.623   9.841   0.961
  215    HB2  LYS  32           HB2      LYS  32   3.635   8.214   3.290
  216    HB3  LYS  32           HB1      LYS  32   4.693   9.603   3.468
  217    HG2  LYS  32           HG2      LYS  32   1.955   9.654   2.219
  218    HG3  LYS  32           HG1      LYS  32   2.342  10.161   3.865
  219    HD2  LYS  32           HD2      LYS  32   3.881  11.859   2.941
  220    HD3  LYS  32           HD1      LYS  32   3.392  11.384   1.315
  221    HE2  LYS  32           HE2      LYS  32   2.204  13.384   2.090
  222    HE3  LYS  32           HE1      LYS  32   1.108  12.043   1.773
  223    HZ1  LYS  32           HZ1      LYS  32   0.954  11.611   4.113
  224    HZ2  LYS  32           HZ2      LYS  32   0.609  13.244   3.845
  225    HZ3  LYS  32           HZ3      LYS  32   2.115  12.790   4.462
  226    H    GLY  33           HN       GLY  33   6.658   9.658   0.429
  227    HA2  GLY  33           HA2      GLY  33   8.872   9.061   0.538
  228    HA3  GLY  33           HA1      GLY  33   8.489   8.120   1.969
  229    H    GLY  34           HN       GLY  34   6.413   7.041  -0.308
  230    HA2  GLY  34           HA2      GLY  34   6.400   5.162  -1.665
  231    HA3  GLY  34           HA1      GLY  34   8.158   5.134  -1.588
  232    H    PHE  35           HN       PHE  35   6.654   5.390   1.445
  233    HA   PHE  35           HA       PHE  35   7.150   2.527   1.932
  234    HB2  PHE  35           HB2      PHE  35   7.230   4.846   3.881
  235    HB3  PHE  35           HB1      PHE  35   7.476   3.160   4.312
  236    HD1  PHE  35           HD1      PHE  35   8.942   6.123   2.799
  237    HD2  PHE  35           HD2      PHE  35   9.517   1.999   3.664
  238    HE1  PHE  35           HE1      PHE  35  11.350   6.375   2.373
  239    HE2  PHE  35           HE2      PHE  35  11.925   2.243   3.234
  240    HZ   PHE  35           HZ       PHE  35  12.846   4.432   2.590
  241    H    VAL  36           HN       VAL  36   4.998   5.228   2.672
  242    HA   VAL  36           HA       VAL  36   3.246   3.620   4.282
  243    HB   VAL  36           HB       VAL  36   2.864   6.420   3.220
  244   HG11  VAL  36          HG11      VAL  36   0.740   5.448   3.824
  245   HG12  VAL  36          HG12      VAL  36   1.209   6.640   5.038
  246   HG13  VAL  36          HG13      VAL  36   1.389   4.919   5.377
  247   HG21  VAL  36          HG21      VAL  36   3.555   7.141   5.463
  248   HG22  VAL  36          HG22      VAL  36   4.835   6.258   4.632
  249   HG23  VAL  36          HG23      VAL  36   3.890   5.462   5.890
  250    H    CYS  37           HN       CYS  37   1.728   2.311   3.517
  251    HA   CYS  37           HA       CYS  37   0.732   2.408   0.859
  252    HB2  CYS  37           HB2      CYS  37  -0.319   0.981   3.312
  253    HB3  CYS  37           HB1      CYS  37  -0.826   0.677   1.670
  254    H    LYS  38           HN       LYS  38  -0.188   4.476   0.528
  255    HA   LYS  38           HA       LYS  38  -2.193   5.493   2.307
  256    HB2  LYS  38           HB2      LYS  38  -0.879   6.974   0.804
  257    HB3  LYS  38           HB1      LYS  38  -1.713   6.274  -0.573
  258    HG2  LYS  38           HG2      LYS  38  -3.848   6.991   0.810
  259    HG3  LYS  38           HG1      LYS  38  -2.714   8.146   1.507
  260    HD2  LYS  38           HD2      LYS  38  -3.237   7.797  -1.440
  261    HD3  LYS  38           HD1      LYS  38  -3.959   9.047  -0.429
  262    HE2  LYS  38           HE2      LYS  38  -1.776   9.978   0.035
  263    HE3  LYS  38           HE1      LYS  38  -1.000   8.680  -0.875
  264    HZ1  LYS  38           HZ1      LYS  38  -2.073   9.457  -2.873
  265    HZ2  LYS  38           HZ2      LYS  38  -1.202  10.726  -2.170
  266    HZ3  LYS  38           HZ3      LYS  38  -2.885  10.670  -2.016
  267    H    CYS  39           HN       CYS  39  -4.345   5.303   2.179
  268    HA   CYS  39           HA       CYS  39  -5.327   3.258   0.322
  269    HB2  CYS  39           HB2      CYS  39  -6.534   4.223   2.922
  270    HB3  CYS  39           HB1      CYS  39  -7.138   2.906   1.922
  271    H    TYR  40           HN       TYR  40  -6.868   3.714  -1.112
  272    HA   TYR  40           HA       TYR  40  -8.195   6.324  -0.915
  273    HB2  TYR  40           HB2      TYR  40  -8.152   6.455  -3.408
  274    HB3  TYR  40           HB1      TYR  40  -6.559   6.562  -2.670
  275    HD1  TYR  40           HD1      TYR  40  -4.862   5.016  -3.242
  276    HD2  TYR  40           HD2      TYR  40  -8.859   4.310  -4.514
  277    HE1  TYR  40           HE1      TYR  40  -4.068   3.236  -4.739
  278    HE2  TYR  40           HE2      TYR  40  -8.085   2.522  -6.002
  279    HH   TYR  40           HH       TYR  40  -5.879   1.956  -7.202
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   6.184  -0.901   6.983
    2    H2   GLY   1           HT2      GLY   1   6.453   0.649   6.365
    3    H3   GLY   1           HT3      GLY   1   6.490  -0.687   5.331
    4    HA2  GLY   1           HA1      GLY   1   4.127   0.386   6.758
    5    HA3  GLY   1           HA2      GLY   1   4.431   0.475   5.030
    6    H    PHE   2           HN       PHE   2   2.227  -0.556   5.101
    7    HA   PHE   2           HA       PHE   2   2.120  -3.323   5.866
    8    HB2  PHE   2           HB2      PHE   2   0.069  -1.575   4.495
    9    HB3  PHE   2           HB1      PHE   2  -0.224  -3.207   5.083
   10    HD1  PHE   2           HD1      PHE   2  -0.375  -3.661   7.469
   11    HD2  PHE   2           HD2      PHE   2   0.230   0.288   6.004
   12    HE1  PHE   2           HE1      PHE   2  -0.992  -2.753   9.670
   13    HE2  PHE   2           HE2      PHE   2  -0.384   1.201   8.203
   14    HZ   PHE   2           HZ       PHE   2  -1.004  -0.327  10.038
   15    H    GLY   3           HN       GLY   3   3.984  -3.630   4.313
   16    HA2  GLY   3           HA2      GLY   3   4.315  -5.140   2.463
   17    HA3  GLY   3           HA1      GLY   3   2.915  -4.411   1.685
   18    H    CYS   4           HN       CYS   4   4.120  -1.816   2.823
   19    HA   CYS   4           HA       CYS   4   5.828  -1.281   0.509
   20    HB2  CYS   4           HB2      CYS   4   4.450   0.663   2.368
   21    HB3  CYS   4           HB1      CYS   4   5.271   1.056   0.860
   22    H    ASN   5           HN       ASN   5   7.914  -1.604   1.004
   23    HA   ASN   5           HA       ASN   5   8.887  -0.477   3.552
   24    HB2  ASN   5           HB2      ASN   5   9.981  -2.864   2.048
   25    HB3  ASN   5           HB1      ASN   5  10.641  -2.203   3.539
   26   HD21  ASN   5          HD21      ASN   5   8.112  -4.065   2.098
   27   HD22  ASN   5          HD22      ASN   5   7.417  -4.644   3.575
   28    H    GLY   6           HN       GLY   6   8.673   0.464   0.608
   29    HA2  GLY   6           HA2      GLY   6  10.083   2.374   0.015
   30    HA3  GLY   6           HA1      GLY   6  11.469   1.392   0.467
   31    HA   PRO   7           HA       PRO   7  10.464   1.488  -4.194
   32    HB2  PRO   7           HB2      PRO   7  13.150   1.884  -4.828
   33    HB3  PRO   7           HB1      PRO   7  11.907   3.129  -4.766
   34    HG2  PRO   7           HG2      PRO   7  13.945   2.388  -2.726
   35    HG3  PRO   7           HG1      PRO   7  13.313   3.989  -3.154
   36    HD2  PRO   7           HD2      PRO   7  12.527   2.723  -0.929
   37    HD3  PRO   7           HD1      PRO   7  11.394   3.705  -1.881
   38    H    TRP   8           HN       TRP   8  12.866  -0.111  -2.241
   39    HA   TRP   8           HA       TRP   8  13.539  -2.067  -4.249
   40    HB2  TRP   8           HB2      TRP   8  15.002  -3.019  -2.595
   41    HB3  TRP   8           HB1      TRP   8  15.150  -1.268  -2.496
   42    HD1  TRP   8           HD1      TRP   8  13.460  -0.169  -0.440
   43    HE1  TRP   8           HE1      TRP   8  13.186  -1.053   1.957
   44    HE3  TRP   8           HE3      TRP   8  15.117  -4.952  -1.153
   45    HZ2  TRP   8           HZ2      TRP   8  13.624  -3.459   3.363
   46    HZ3  TRP   8           HZ3      TRP   8  15.161  -6.482   0.773
   47    HH2  TRP   8           HH2      TRP   8  14.429  -5.749   2.984
   48    H    ASN   9           HN       ASN   9  11.107  -1.718  -1.863
   49    HA   ASN   9           HA       ASN   9  10.120  -4.403  -2.276
   50    HB2  ASN   9           HB2      ASN   9  11.883  -4.628  -0.499
   51    HB3  ASN   9           HB1      ASN   9  10.944  -3.537   0.506
   52   HD21  ASN   9          HD21      ASN   9  11.737  -6.235   1.061
   53   HD22  ASN   9          HD22      ASN   9  10.293  -7.154   1.291
   54    H    GLU  10           HN       GLU  10   8.689  -2.488  -3.125
   55    HA   GLU  10           HA       GLU  10   6.719  -1.987  -1.009
   56    HB2  GLU  10           HB2      GLU  10   5.968  -0.019  -2.401
   57    HB3  GLU  10           HB1      GLU  10   7.530   0.151  -1.618
   58    HG2  GLU  10           HG2      GLU  10   8.689  -0.161  -3.646
   59    HG3  GLU  10           HG1      GLU  10   7.233  -0.705  -4.482
   60    H    ASP  11           HN       ASP  11   5.461  -3.734  -1.299
   61    HA   ASP  11           HA       ASP  11   4.631  -4.536  -3.944
   62    HB2  ASP  11           HB2      ASP  11   3.946  -5.542  -1.188
   63    HB3  ASP  11           HB1      ASP  11   3.170  -6.167  -2.640
   64    H    ASP  12           HN       ASP  12   3.357  -3.160  -4.920
   65    HA   ASP  12           HA       ASP  12   1.455  -1.449  -3.842
   66    HB2  ASP  12           HB2      ASP  12   2.342  -1.344  -6.159
   67    HB3  ASP  12           HB1      ASP  12   1.416  -2.784  -6.562
   68    H    LEU  13           HN       LEU  13   1.205  -4.814  -4.811
   69    HA   LEU  13           HA       LEU  13  -1.600  -5.039  -4.738
   70    HB2  LEU  13           HB2      LEU  13   0.512  -6.618  -5.471
   71    HB3  LEU  13           HB1      LEU  13  -0.034  -7.405  -4.014
   72    HG   LEU  13           HG       LEU  13  -1.110  -8.498  -5.824
   73   HD11  LEU  13          HD11      LEU  13  -3.481  -8.065  -5.445
   74   HD12  LEU  13          HD12      LEU  13  -3.069  -6.572  -4.601
   75   HD13  LEU  13          HD13      LEU  13  -2.571  -8.127  -3.937
   76   HD21  LEU  13          HD21      LEU  13  -0.737  -6.831  -7.539
   77   HD22  LEU  13          HD22      LEU  13  -1.927  -5.766  -6.793
   78   HD23  LEU  13          HD23      LEU  13  -2.438  -7.295  -7.503
   79    H    ARG  14           HN       ARG  14   0.925  -5.780  -2.328
   80    HA   ARG  14           HA       ARG  14  -0.601  -6.772  -0.284
   81    HB2  ARG  14           HB2      ARG  14   1.989  -6.286  -0.738
   82    HB3  ARG  14           HB1      ARG  14   1.642  -4.942   0.321
   83    HG2  ARG  14           HG2      ARG  14   1.753  -6.261   2.096
   84    HG3  ARG  14           HG1      ARG  14   0.506  -7.298   1.398
   85    HD2  ARG  14           HD2      ARG  14   2.580  -8.537   1.876
   86    HD3  ARG  14           HD1      ARG  14   2.152  -8.542   0.164
   87    HE   ARG  14           HE       ARG  14   3.958  -7.110  -0.278
   88   HH11  ARG  14          HH11      ARG  14   3.789  -7.984   3.105
   89   HH12  ARG  14          HH12      ARG  14   5.435  -7.548   3.426
   90   HH21  ARG  14          HH21      ARG  14   6.121  -6.545   0.130
   91   HH22  ARG  14          HH22      ARG  14   6.765  -6.735   1.739
   92    H    CYS  15           HN       CYS  15   0.403  -3.428  -0.877
   93    HA   CYS  15           HA       CYS  15  -0.993  -2.240   1.250
   94    HB2  CYS  15           HB2      CYS  15   0.781  -1.118  -0.083
   95    HB3  CYS  15           HB1      CYS  15  -0.334  -1.014  -1.439
   96    H    HIS  16           HN       HIS  16  -1.921  -2.645  -2.164
   97    HA   HIS  16           HA       HIS  16  -4.493  -1.637  -2.107
   98    HB2  HIS  16           HB2      HIS  16  -3.632  -2.258  -4.204
   99    HB3  HIS  16           HB1      HIS  16  -3.207  -3.868  -3.659
  100    HD1  HIS  16           HD1      HIS  16  -6.284  -1.832  -4.543
  101    HD2  HIS  16           HD2      HIS  16  -5.054  -5.787  -4.226
  102    HE1  HIS  16           HE1      HIS  16  -8.195  -3.208  -5.416
  103    HE2  HIS  16           HE2      HIS  16  -7.343  -5.577  -5.403
  104    H    ASN  17           HN       ASN  17  -3.447  -4.943  -1.362
  105    HA   ASN  17           HA       ASN  17  -5.958  -6.019  -0.780
  106    HB2  ASN  17           HB2      ASN  17  -3.184  -6.736   0.147
  107    HB3  ASN  17           HB1      ASN  17  -4.595  -7.662   0.626
  108   HD21  ASN  17          HD21      ASN  17  -2.306  -8.490  -0.924
  109   HD22  ASN  17          HD22      ASN  17  -2.911  -9.034  -2.449
  110    H    HIS  18           HN       HIS  18  -3.618  -4.380   1.299
  111    HA   HIS  18           HA       HIS  18  -4.945  -4.811   3.743
  112    HB2  HIS  18           HB2      HIS  18  -2.651  -4.084   3.752
  113    HB3  HIS  18           HB1      HIS  18  -3.052  -2.624   2.863
  114    HD1  HIS  18           HD1      HIS  18  -3.887  -4.191   6.242
  115    HD2  HIS  18           HD2      HIS  18  -3.384  -0.476   4.449
  116    HE1  HIS  18           HE1      HIS  18  -4.109  -2.509   8.099
  117    HE2  HIS  18           HE2      HIS  18  -3.884  -0.261   6.979
  118    H    CYS  19           HN       CYS  19  -5.146  -2.152   1.418
  119    HA   CYS  19           HA       CYS  19  -6.893  -0.624   3.086
  120    HB2  CYS  19           HB2      CYS  19  -6.222  -0.269   0.162
  121    HB3  CYS  19           HB1      CYS  19  -6.984   0.928   1.203
  122    H    LYS  20           HN       LYS  20  -7.369  -2.814   0.343
  123    HA   LYS  20           HA       LYS  20 -10.076  -2.011  -0.097
  124    HB2  LYS  20           HB2      LYS  20 -10.215  -3.745  -1.701
  125    HB3  LYS  20           HB1      LYS  20  -8.580  -3.116  -1.808
  126    HG2  LYS  20           HG2      LYS  20  -7.742  -5.006  -0.544
  127    HG3  LYS  20           HG1      LYS  20  -9.385  -5.623  -0.346
  128    HD2  LYS  20           HD2      LYS  20  -9.545  -5.730  -2.844
  129    HD3  LYS  20           HD1      LYS  20  -7.829  -5.331  -2.912
  130    HE2  LYS  20           HE2      LYS  20  -8.129  -7.723  -3.103
  131    HE3  LYS  20           HE1      LYS  20  -7.333  -7.339  -1.579
  132    HZ1  LYS  20           HZ1      LYS  20 -10.237  -7.872  -1.868
  133    HZ2  LYS  20           HZ2      LYS  20  -9.390  -7.643  -0.421
  134    HZ3  LYS  20           HZ3      LYS  20  -9.097  -9.013  -1.363
  135    H    SER  21           HN       SER  21  -8.586  -4.074   2.186
  136    HA   SER  21           HA       SER  21 -11.045  -5.543   2.711
  137    HB2  SER  21           HB2      SER  21  -9.599  -6.651   4.502
  138    HB3  SER  21           HB1      SER  21  -9.122  -6.922   2.826
  139    HG   SER  21           HG       SER  21  -7.383  -5.709   3.088
  140    H    ILE  22           HN       ILE  22 -10.082  -2.568   3.360
  141    HA   ILE  22           HA       ILE  22 -11.267  -2.540   6.052
  142    HB   ILE  22           HB       ILE  22  -9.536  -0.438   4.738
  143   HG12  ILE  22          HG12      ILE  22  -8.911  -2.327   7.019
  144   HG13  ILE  22          HG11      ILE  22  -8.293  -2.480   5.379
  145   HG21  ILE  22          HG21      ILE  22  -9.552   0.644   6.936
  146   HG22  ILE  22          HG22      ILE  22 -10.666  -0.587   7.531
  147   HG23  ILE  22          HG23      ILE  22 -11.176   0.523   6.260
  148   HD11  ILE  22          HD11      ILE  22  -7.746  -0.195   7.262
  149   HD12  ILE  22          HD12      ILE  22  -7.116  -0.360   5.621
  150   HD13  ILE  22          HD13      ILE  22  -6.637  -1.509   6.870
  151    H    LYS  23           HN       LYS  23 -13.302  -1.824   6.134
  152    HA   LYS  23           HA       LYS  23 -14.716  -0.839   3.942
  153    HB2  LYS  23           HB2      LYS  23 -15.618  -1.887   6.096
  154    HB3  LYS  23           HB1      LYS  23 -15.440  -0.288   6.805
  155    HG2  LYS  23           HG2      LYS  23 -17.008   0.652   5.280
  156    HG3  LYS  23           HG1      LYS  23 -17.064  -0.847   4.353
  157    HD2  LYS  23           HD2      LYS  23 -19.038  -0.618   5.775
  158    HD3  LYS  23           HD1      LYS  23 -18.061  -2.002   6.260
  159    HE2  LYS  23           HE2      LYS  23 -18.814  -0.811   8.220
  160    HE3  LYS  23           HE1      LYS  23 -17.070  -0.635   8.058
  161    HZ1  LYS  23           HZ1      LYS  23 -18.091   1.456   8.645
  162    HZ2  LYS  23           HZ2      LYS  23 -19.100   1.389   7.291
  163    HZ3  LYS  23           HZ3      LYS  23 -17.431   1.560   7.093
  164    H    GLY  24           HN       GLY  24 -15.070   1.142   3.162
  165    HA2  GLY  24           HA2      GLY  24 -15.186   3.551   3.431
  166    HA3  GLY  24           HA1      GLY  24 -13.879   3.425   4.599
  167    H    TYR  25           HN       TYR  25 -12.595   1.391   2.737
  168    HA   TYR  25           HA       TYR  25 -11.508   3.335   0.803
  169    HB2  TYR  25           HB2      TYR  25 -10.030   1.070   2.162
  170    HB3  TYR  25           HB1      TYR  25  -9.345   2.201   1.005
  171    HD1  TYR  25           HD1      TYR  25  -9.778   1.492   4.434
  172    HD2  TYR  25           HD2      TYR  25  -9.506   4.724   1.684
  173    HE1  TYR  25           HE1      TYR  25  -9.179   3.006   6.277
  174    HE2  TYR  25           HE2      TYR  25  -8.906   6.243   3.516
  175    HH   TYR  25           HH       TYR  25  -9.187   6.386   5.952
  176    H    LYS  26           HN       LYS  26 -10.348   2.176  -1.038
  177    HA   LYS  26           HA       LYS  26 -11.583  -0.400  -1.693
  178    HB2  LYS  26           HB2      LYS  26 -11.782   0.486  -4.108
  179    HB3  LYS  26           HB1      LYS  26 -13.025   0.918  -2.945
  180    HG2  LYS  26           HG2      LYS  26 -10.727   2.766  -3.364
  181    HG3  LYS  26           HG1      LYS  26 -12.001   2.687  -4.581
  182    HD2  LYS  26           HD2      LYS  26 -13.660   3.089  -2.746
  183    HD3  LYS  26           HD1      LYS  26 -12.297   3.372  -1.661
  184    HE2  LYS  26           HE2      LYS  26 -13.150   5.482  -2.482
  185    HE3  LYS  26           HE1      LYS  26 -11.537   5.191  -3.131
  186    HZ1  LYS  26           HZ1      LYS  26 -12.529   4.471  -5.200
  187    HZ2  LYS  26           HZ2      LYS  26 -13.051   6.030  -4.820
  188    HZ3  LYS  26           HZ3      LYS  26 -14.081   4.712  -4.582
  189    H    GLY  27           HN       GLY  27  -8.950   1.875  -2.109
  190    HA2  GLY  27           HA2      GLY  27  -7.358  -0.359  -3.173
  191    HA3  GLY  27           HA1      GLY  27  -7.400   1.146  -4.079
  192    H    GLY  28           HN       GLY  28  -4.999   0.256  -3.332
  193    HA2  GLY  28           HA2      GLY  28  -4.140   2.352  -1.533
  194    HA3  GLY  28           HA1      GLY  28  -3.863   0.719  -0.942
  195    H    TYR  29           HN       TYR  29  -1.933   2.784  -1.635
  196    HA   TYR  29           HA       TYR  29  -0.168   1.090  -3.138
  197    HB2  TYR  29           HB2      TYR  29   0.464   2.840  -4.800
  198    HB3  TYR  29           HB1      TYR  29  -1.155   2.203  -5.031
  199    HD1  TYR  29           HD1      TYR  29  -2.942   3.691  -5.285
  200    HD2  TYR  29           HD2      TYR  29   0.654   5.058  -3.477
  201    HE1  TYR  29           HE1      TYR  29  -3.833   5.979  -5.259
  202    HE2  TYR  29           HE2      TYR  29  -0.224   7.353  -3.453
  203    HH   TYR  29           HH       TYR  29  -1.851   8.718  -4.471
  204    H    CYS  30           HN       CYS  30   2.046   1.792  -3.020
  205    HA   CYS  30           HA       CYS  30   2.565   3.159  -0.532
  206    HB2  CYS  30           HB2      CYS  30   4.706   2.254  -2.441
  207    HB3  CYS  30           HB1      CYS  30   4.739   2.321  -0.688
  208    H    ALA  31           HN       ALA  31   2.476   5.301  -0.534
  209    HA   ALA  31           HA       ALA  31   2.937   6.739  -3.019
  210    HB1  ALA  31           HB1      ALA  31   1.891   8.628  -1.907
  211    HB2  ALA  31           HB2      ALA  31   1.872   7.738  -0.384
  212    HB3  ALA  31           HB3      ALA  31   0.898   7.181  -1.743
  213    H    LYS  32           HN       LYS  32   3.600   7.950   0.225
  214    HA   LYS  32           HA       LYS  32   5.750   9.485  -0.635
  215    HB2  LYS  32           HB2      LYS  32   4.959   8.649   2.150
  216    HB3  LYS  32           HB1      LYS  32   6.167   9.874   1.789
  217    HG2  LYS  32           HG2      LYS  32   3.263  10.004   0.998
  218    HG3  LYS  32           HG1      LYS  32   3.998  10.855   2.358
  219    HD2  LYS  32           HD2      LYS  32   5.497  12.018   0.768
  220    HD3  LYS  32           HD1      LYS  32   4.661  11.221  -0.563
  221    HE2  LYS  32           HE2      LYS  32   3.350  13.037   1.453
  222    HE3  LYS  32           HE1      LYS  32   3.881  13.537  -0.150
  223    HZ1  LYS  32           HZ1      LYS  32   2.349  11.904  -1.098
  224    HZ2  LYS  32           HZ2      LYS  32   1.536  13.047  -0.158
  225    HZ3  LYS  32           HZ3      LYS  32   1.812  11.495   0.450
  226    H    GLY  33           HN       GLY  33   7.517   8.626  -1.461
  227    HA2  GLY  33           HA2      GLY  33   9.605   7.678  -1.460
  228    HA3  GLY  33           HA1      GLY  33   9.383   7.318   0.243
  229    H    GLY  34           HN       GLY  34   6.797   5.997  -1.309
  230    HA2  GLY  34           HA2      GLY  34   6.303   3.833  -1.984
  231    HA3  GLY  34           HA1      GLY  34   8.029   3.500  -2.071
  232    H    PHE  35           HN       PHE  35   7.299   4.919   0.860
  233    HA   PHE  35           HA       PHE  35   7.417   2.309   2.177
  234    HB2  PHE  35           HB2      PHE  35   7.783   5.072   3.373
  235    HB3  PHE  35           HB1      PHE  35   8.046   3.547   4.204
  236    HD1  PHE  35           HD1      PHE  35   9.406   5.964   1.854
  237    HD2  PHE  35           HD2      PHE  35   9.992   2.176   3.695
  238    HE1  PHE  35           HE1      PHE  35  11.757   5.979   1.129
  239    HE2  PHE  35           HE2      PHE  35  12.345   2.190   2.981
  240    HZ   PHE  35           HZ       PHE  35  13.252   4.156   1.772
  241    H    VAL  36           HN       VAL  36   5.487   5.229   1.971
  242    HA   VAL  36           HA       VAL  36   3.735   4.388   4.112
  243    HB   VAL  36           HB       VAL  36   3.513   6.779   2.276
  244   HG11  VAL  36          HG11      VAL  36   1.370   6.185   3.254
  245   HG12  VAL  36          HG12      VAL  36   1.988   7.665   3.987
  246   HG13  VAL  36          HG13      VAL  36   2.095   6.137   4.861
  247   HG21  VAL  36          HG21      VAL  36   4.641   6.538   5.063
  248   HG22  VAL  36          HG22      VAL  36   4.397   8.050   4.190
  249   HG23  VAL  36          HG23      VAL  36   5.554   6.862   3.589
  250    H    CYS  37           HN       CYS  37   2.334   2.849   3.708
  251    HA   CYS  37           HA       CYS  37   1.085   2.428   1.163
  252    HB2  CYS  37           HB2      CYS  37   1.447   0.542   2.647
  253    HB3  CYS  37           HB1      CYS  37   0.524   1.318   3.925
  254    H    LYS  38           HN       LYS  38  -0.247   3.985   0.443
  255    HA   LYS  38           HA       LYS  38  -1.989   5.374   2.332
  256    HB2  LYS  38           HB2      LYS  38  -0.809   6.745   0.675
  257    HB3  LYS  38           HB1      LYS  38  -1.561   5.834  -0.630
  258    HG2  LYS  38           HG2      LYS  38  -3.781   6.580   0.519
  259    HG3  LYS  38           HG1      LYS  38  -2.763   7.830   1.232
  260    HD2  LYS  38           HD2      LYS  38  -3.053   7.288  -1.720
  261    HD3  LYS  38           HD1      LYS  38  -3.878   8.567  -0.831
  262    HE2  LYS  38           HE2      LYS  38  -1.674   9.505  -0.216
  263    HE3  LYS  38           HE1      LYS  38  -0.903   8.269  -1.210
  264    HZ1  LYS  38           HZ1      LYS  38  -1.113  10.323  -2.433
  265    HZ2  LYS  38           HZ2      LYS  38  -2.783  10.358  -2.163
  266    HZ3  LYS  38           HZ3      LYS  38  -2.111   9.146  -3.133
  267    H    CYS  39           HN       CYS  39  -4.183   5.259   2.283
  268    HA   CYS  39           HA       CYS  39  -5.318   3.176   0.543
  269    HB2  CYS  39           HB2      CYS  39  -6.193   4.006   3.318
  270    HB3  CYS  39           HB1      CYS  39  -7.021   2.829   2.307
  271    H    TYR  40           HN       TYR  40  -7.018   3.713  -0.707
  272    HA   TYR  40           HA       TYR  40  -8.358   6.266  -0.158
  273    HB2  TYR  40           HB2      TYR  40  -8.500   6.725  -2.578
  274    HB3  TYR  40           HB1      TYR  40  -6.831   6.679  -2.020
  275    HD1  TYR  40           HD1      TYR  40  -5.296   5.097  -2.905
  276    HD2  TYR  40           HD2      TYR  40  -9.418   4.840  -3.925
  277    HE1  TYR  40           HE1      TYR  40  -4.756   3.496  -4.685
  278    HE2  TYR  40           HE2      TYR  40  -8.887   3.234  -5.700
  279    HH   TYR  40           HH       TYR  40  -5.910   1.684  -5.950
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   6.939  -1.952   7.671
    2    H2   GLY   1           HT2      GLY   1   6.814  -3.115   6.452
    3    H3   GLY   1           HT3      GLY   1   5.992  -3.331   7.912
    4    HA2  GLY   1           HA1      GLY   1   4.634  -1.372   7.449
    5    HA3  GLY   1           HA2      GLY   1   5.456  -1.220   5.904
    6    H    PHE   2           HN       PHE   2   2.930  -1.362   5.513
    7    HA   PHE   2           HA       PHE   2   1.923  -4.057   5.482
    8    HB2  PHE   2           HB2      PHE   2   0.685  -1.514   4.411
    9    HB3  PHE   2           HB1      PHE   2  -0.134  -3.064   4.575
   10    HD1  PHE   2           HD1      PHE   2  -0.297  -4.052   6.933
   11    HD2  PHE   2           HD2      PHE   2   0.635   0.021   6.146
   12    HE1  PHE   2           HE1      PHE   2  -0.986  -3.457   9.219
   13    HE2  PHE   2           HE2      PHE   2  -0.052   0.626   8.430
   14    HZ   PHE   2           HZ       PHE   2  -0.839  -1.110   9.976
   15    H    GLY   3           HN       GLY   3   3.990  -4.402   4.042
   16    HA2  GLY   3           HA2      GLY   3   4.470  -5.386   1.968
   17    HA3  GLY   3           HA1      GLY   3   3.034  -4.621   1.300
   18    H    CYS   4           HN       CYS   4   3.823  -2.027   2.461
   19    HA   CYS   4           HA       CYS   4   5.571  -1.193   0.306
   20    HB2  CYS   4           HB2      CYS   4   4.083   0.406   2.394
   21    HB3  CYS   4           HB1      CYS   4   4.959   1.081   1.023
   22    H    ASN   5           HN       ASN   5   7.603  -1.889   0.888
   23    HA   ASN   5           HA       ASN   5   8.679  -0.718   3.366
   24    HB2  ASN   5           HB2      ASN   5   9.256  -3.388   2.089
   25    HB3  ASN   5           HB1      ASN   5  10.304  -2.675   3.311
   26   HD21  ASN   5          HD21      ASN   5   8.609  -5.116   3.310
   27   HD22  ASN   5          HD22      ASN   5   7.624  -4.968   4.723
   28    H    GLY   6           HN       GLY   6   8.629   0.499   0.725
   29    HA2  GLY   6           HA2      GLY   6  10.331   2.167   0.293
   30    HA3  GLY   6           HA1      GLY   6  11.546   0.929   0.557
   31    HA   PRO   7           HA       PRO   7  10.417   1.894  -4.011
   32    HB2  PRO   7           HB2      PRO   7  13.117   2.172  -4.677
   33    HB3  PRO   7           HB1      PRO   7  11.966   3.482  -4.423
   34    HG2  PRO   7           HG2      PRO   7  14.003   2.359  -2.570
   35    HG3  PRO   7           HG1      PRO   7  13.441   4.032  -2.745
   36    HD2  PRO   7           HD2      PRO   7  12.664   2.489  -0.693
   37    HD3  PRO   7           HD1      PRO   7  11.567   3.670  -1.436
   38    H    TRP   8           HN       TRP   8  12.728  -0.150  -2.413
   39    HA   TRP   8           HA       TRP   8  12.995  -1.879  -4.756
   40    HB2  TRP   8           HB2      TRP   8  14.337  -2.646  -2.242
   41    HB3  TRP   8           HB1      TRP   8  14.977  -2.563  -3.878
   42    HD1  TRP   8           HD1      TRP   8  14.533  -0.479  -0.724
   43    HE1  TRP   8           HE1      TRP   8  15.984   1.641  -0.905
   44    HE3  TRP   8           HE3      TRP   8  16.013  -0.935  -5.594
   45    HZ2  TRP   8           HZ2      TRP   8  17.549   2.942  -2.862
   46    HZ3  TRP   8           HZ3      TRP   8  17.487   0.790  -6.545
   47    HH2  TRP   8           HH2      TRP   8  18.237   2.687  -5.207
   48    H    ASN   9           HN       ASN   9  10.893  -1.568  -2.238
   49    HA   ASN   9           HA       ASN   9  10.129  -4.367  -2.276
   50    HB2  ASN   9           HB2      ASN   9  11.975  -3.922  -0.478
   51    HB3  ASN   9           HB1      ASN   9  10.683  -3.129   0.410
   52   HD21  ASN   9          HD21      ASN   9   8.611  -4.982  -0.463
   53   HD22  ASN   9          HD22      ASN   9   8.908  -6.468   0.370
   54    H    GLU  10           HN       GLU  10   8.786  -2.062  -3.200
   55    HA   GLU  10           HA       GLU  10   6.740  -1.651  -1.145
   56    HB2  GLU  10           HB2      GLU  10   5.944   0.176  -2.800
   57    HB3  GLU  10           HB1      GLU  10   7.364   0.474  -1.811
   58    HG2  GLU  10           HG2      GLU  10   8.820   0.056  -3.641
   59    HG3  GLU  10           HG1      GLU  10   7.483  -0.508  -4.651
   60    H    ASP  11           HN       ASP  11   5.643  -3.531  -1.347
   61    HA   ASP  11           HA       ASP  11   4.585  -4.390  -3.889
   62    HB2  ASP  11           HB2      ASP  11   4.229  -5.364  -1.056
   63    HB3  ASP  11           HB1      ASP  11   3.319  -6.043  -2.401
   64    H    ASP  12           HN       ASP  12   3.320  -2.703  -4.607
   65    HA   ASP  12           HA       ASP  12   1.381  -1.303  -3.189
   66    HB2  ASP  12           HB2      ASP  12   1.326  -2.075  -6.115
   67    HB3  ASP  12           HB1      ASP  12   0.339  -0.821  -5.376
   68    H    LEU  13           HN       LEU  13   1.261  -4.452  -4.694
   69    HA   LEU  13           HA       LEU  13  -1.489  -4.907  -4.713
   70    HB2  LEU  13           HB2      LEU  13   0.277  -6.330  -5.752
   71    HB3  LEU  13           HB1      LEU  13   0.702  -6.909  -4.166
   72    HG   LEU  13           HG       LEU  13  -0.817  -8.368  -5.690
   73   HD11  LEU  13          HD11      LEU  13  -1.605  -7.867  -2.844
   74   HD12  LEU  13          HD12      LEU  13  -0.226  -8.840  -3.360
   75   HD13  LEU  13          HD13      LEU  13  -1.865  -9.343  -3.774
   76   HD21  LEU  13          HD21      LEU  13  -3.195  -7.980  -5.416
   77   HD22  LEU  13          HD22      LEU  13  -2.435  -6.603  -6.214
   78   HD23  LEU  13          HD23      LEU  13  -2.865  -6.506  -4.507
   79    H    ARG  14           HN       ARG  14   0.889  -5.716  -2.207
   80    HA   ARG  14           HA       ARG  14  -0.919  -6.757  -0.332
   81    HB2  ARG  14           HB2      ARG  14   1.794  -5.489  -0.054
   82    HB3  ARG  14           HB1      ARG  14   0.912  -6.113   1.329
   83    HG2  ARG  14           HG2      ARG  14   0.886  -8.330   0.351
   84    HG3  ARG  14           HG1      ARG  14   1.670  -7.718  -1.104
   85    HD2  ARG  14           HD2      ARG  14   3.290  -8.816   0.319
   86    HD3  ARG  14           HD1      ARG  14   3.619  -7.085   0.227
   87    HE   ARG  14           HE       ARG  14   2.065  -7.376   2.461
   88   HH11  ARG  14          HH11      ARG  14   5.087  -8.758   1.370
   89   HH12  ARG  14          HH12      ARG  14   5.727  -8.950   2.968
   90   HH21  ARG  14          HH21      ARG  14   2.910  -7.600   4.565
   91   HH22  ARG  14          HH22      ARG  14   4.492  -8.280   4.789
   92    H    CYS  15           HN       CYS  15   0.420  -3.476  -0.581
   93    HA   CYS  15           HA       CYS  15  -1.023  -2.259   1.458
   94    HB2  CYS  15           HB2      CYS  15   0.748  -1.102   0.238
   95    HB3  CYS  15           HB1      CYS  15  -0.223  -1.114  -1.229
   96    H    HIS  16           HN       HIS  16  -1.924  -2.632  -1.957
   97    HA   HIS  16           HA       HIS  16  -4.465  -1.566  -1.955
   98    HB2  HIS  16           HB2      HIS  16  -3.633  -2.195  -4.043
   99    HB3  HIS  16           HB1      HIS  16  -3.153  -3.788  -3.489
  100    HD1  HIS  16           HD1      HIS  16  -6.186  -1.864  -4.628
  101    HD2  HIS  16           HD2      HIS  16  -5.028  -5.775  -3.821
  102    HE1  HIS  16           HE1      HIS  16  -8.084  -3.302  -5.420
  103    HE2  HIS  16           HE2      HIS  16  -7.448  -5.643  -4.736
  104    H    ASN  17           HN       ASN  17  -3.557  -4.930  -1.240
  105    HA   ASN  17           HA       ASN  17  -6.167  -5.836  -0.737
  106    HB2  ASN  17           HB2      ASN  17  -3.466  -6.875   0.095
  107    HB3  ASN  17           HB1      ASN  17  -4.956  -7.707   0.496
  108   HD21  ASN  17          HD21      ASN  17  -2.810  -8.664  -1.122
  109   HD22  ASN  17          HD22      ASN  17  -3.432  -8.939  -2.719
  110    H    HIS  18           HN       HIS  18  -3.733  -4.416   1.376
  111    HA   HIS  18           HA       HIS  18  -5.074  -4.854   3.817
  112    HB2  HIS  18           HB2      HIS  18  -2.728  -4.149   3.739
  113    HB3  HIS  18           HB1      HIS  18  -3.196  -2.608   3.034
  114    HD1  HIS  18           HD1      HIS  18  -4.067  -4.542   6.211
  115    HD2  HIS  18           HD2      HIS  18  -3.297  -0.676   4.896
  116    HE1  HIS  18           HE1      HIS  18  -4.204  -3.091   8.261
  117    HE2  HIS  18           HE2      HIS  18  -3.907  -0.739   7.411
  118    H    CYS  19           HN       CYS  19  -5.219  -2.226   1.462
  119    HA   CYS  19           HA       CYS  19  -7.020  -0.630   2.985
  120    HB2  CYS  19           HB2      CYS  19  -6.364  -0.558   0.037
  121    HB3  CYS  19           HB1      CYS  19  -7.232   0.694   0.920
  122    H    LYS  20           HN       LYS  20  -7.430  -3.315   0.856
  123    HA   LYS  20           HA       LYS  20 -10.241  -2.874   0.422
  124    HB2  LYS  20           HB2      LYS  20  -8.402  -5.202  -0.066
  125    HB3  LYS  20           HB1      LYS  20 -10.137  -5.338  -0.304
  126    HG2  LYS  20           HG2      LYS  20  -8.392  -3.311  -1.677
  127    HG3  LYS  20           HG1      LYS  20  -8.861  -4.856  -2.376
  128    HD2  LYS  20           HD2      LYS  20 -10.783  -2.706  -1.478
  129    HD3  LYS  20           HD1      LYS  20 -10.277  -2.980  -3.146
  130    HE2  LYS  20           HE2      LYS  20 -11.180  -5.259  -3.018
  131    HE3  LYS  20           HE1      LYS  20 -11.735  -4.940  -1.379
  132    HZ1  LYS  20           HZ1      LYS  20 -13.502  -4.687  -3.029
  133    HZ2  LYS  20           HZ2      LYS  20 -12.631  -3.453  -3.786
  134    HZ3  LYS  20           HZ3      LYS  20 -13.198  -3.240  -2.211
  135    H    SER  21           HN       SER  21  -8.239  -4.468   2.765
  136    HA   SER  21           HA       SER  21 -10.356  -5.852   4.094
  137    HB2  SER  21           HB2      SER  21  -7.641  -5.015   5.145
  138    HB3  SER  21           HB1      SER  21  -8.716  -6.202   5.881
  139    HG   SER  21           HG       SER  21  -8.062  -7.645   4.497
  140    H    ILE  22           HN       ILE  22  -9.400  -2.609   3.923
  141    HA   ILE  22           HA       ILE  22 -10.734  -1.926   6.443
  142    HB   ILE  22           HB       ILE  22  -9.206  -0.094   4.587
  143   HG12  ILE  22          HG12      ILE  22  -8.266  -1.405   7.149
  144   HG13  ILE  22          HG11      ILE  22  -7.755  -1.872   5.531
  145   HG21  ILE  22          HG21      ILE  22  -9.159   1.398   6.548
  146   HG22  ILE  22          HG22      ILE  22 -10.164   0.246   7.426
  147   HG23  ILE  22          HG23      ILE  22 -10.800   1.062   5.999
  148   HD11  ILE  22          HD11      ILE  22  -7.272   0.800   6.828
  149   HD12  ILE  22          HD12      ILE  22  -6.752   0.325   5.211
  150   HD13  ILE  22          HD13      ILE  22  -6.086  -0.490   6.627
  151    H    LYS  23           HN       LYS  23 -12.811  -1.363   6.340
  152    HA   LYS  23           HA       LYS  23 -14.217  -1.051   3.925
  153    HB2  LYS  23           HB2      LYS  23 -15.096  -1.746   6.242
  154    HB3  LYS  23           HB1      LYS  23 -15.145  -0.024   6.592
  155    HG2  LYS  23           HG2      LYS  23 -16.655   0.324   4.712
  156    HG3  LYS  23           HG1      LYS  23 -16.602  -1.404   4.367
  157    HD2  LYS  23           HD2      LYS  23 -18.619  -0.902   5.591
  158    HD3  LYS  23           HD1      LYS  23 -17.538  -1.842   6.618
  159    HE2  LYS  23           HE2      LYS  23 -16.840   0.172   7.773
  160    HE3  LYS  23           HE1      LYS  23 -17.824   1.159   6.695
  161    HZ1  LYS  23           HZ1      LYS  23 -18.902   0.764   8.835
  162    HZ2  LYS  23           HZ2      LYS  23 -18.875  -0.902   8.553
  163    HZ3  LYS  23           HZ3      LYS  23 -19.798   0.104   7.560
  164    H    GLY  24           HN       GLY  24 -14.763   0.719   2.779
  165    HA2  GLY  24           HA2      GLY  24 -15.316   3.030   2.583
  166    HA3  GLY  24           HA1      GLY  24 -14.268   3.364   3.951
  167    H    TYR  25           HN       TYR  25 -12.868   1.223   1.744
  168    HA   TYR  25           HA       TYR  25 -11.645   3.379   0.172
  169    HB2  TYR  25           HB2      TYR  25 -10.123   1.175   1.581
  170    HB3  TYR  25           HB1      TYR  25  -9.426   2.285   0.409
  171    HD1  TYR  25           HD1      TYR  25  -9.938   1.676   3.823
  172    HD2  TYR  25           HD2      TYR  25  -9.726   4.847   1.000
  173    HE1  TYR  25           HE1      TYR  25  -9.401   3.245   5.635
  174    HE2  TYR  25           HE2      TYR  25  -9.189   6.427   2.806
  175    HH   TYR  25           HH       TYR  25  -9.491   6.601   5.262
  176    H    LYS  26           HN       LYS  26 -10.627   2.603  -1.825
  177    HA   LYS  26           HA       LYS  26 -11.759   0.017  -2.667
  178    HB2  LYS  26           HB2      LYS  26 -11.953   0.941  -4.967
  179    HB3  LYS  26           HB1      LYS  26 -13.033   1.683  -3.802
  180    HG2  LYS  26           HG2      LYS  26 -10.418   2.974  -4.426
  181    HG3  LYS  26           HG1      LYS  26 -11.758   3.117  -5.560
  182    HD2  LYS  26           HD2      LYS  26 -13.153   3.945  -3.624
  183    HD3  LYS  26           HD1      LYS  26 -11.655   4.030  -2.693
  184    HE2  LYS  26           HE2      LYS  26 -10.736   5.485  -4.545
  185    HE3  LYS  26           HE1      LYS  26 -12.374   5.557  -5.185
  186    HZ1  LYS  26           HZ1      LYS  26 -11.847   7.459  -3.778
  187    HZ2  LYS  26           HZ2      LYS  26 -11.563   6.424  -2.468
  188    HZ3  LYS  26           HZ3      LYS  26 -13.117   6.548  -3.132
  189    H    GLY  27           HN       GLY  27  -8.937   1.874  -2.323
  190    HA2  GLY  27           HA2      GLY  27  -7.383  -0.313  -3.372
  191    HA3  GLY  27           HA1      GLY  27  -7.283   1.135  -4.361
  192    H    GLY  28           HN       GLY  28  -4.979   0.305  -3.417
  193    HA2  GLY  28           HA2      GLY  28  -4.241   2.407  -1.559
  194    HA3  GLY  28           HA1      GLY  28  -3.976   0.767  -0.980
  195    H    TYR  29           HN       TYR  29  -1.987   2.817  -1.503
  196    HA   TYR  29           HA       TYR  29  -0.219   1.243  -3.154
  197    HB2  TYR  29           HB2      TYR  29   0.295   2.916  -4.793
  198    HB3  TYR  29           HB1      TYR  29  -1.448   2.694  -4.801
  199    HD1  TYR  29           HD1      TYR  29  -2.644   4.374  -2.974
  200    HD2  TYR  29           HD2      TYR  29   1.001   5.081  -5.053
  201    HE1  TYR  29           HE1      TYR  29  -2.947   6.793  -2.673
  202    HE2  TYR  29           HE2      TYR  29   0.705   7.503  -4.757
  203    HH   TYR  29           HH       TYR  29  -1.149   9.094  -4.380
  204    H    CYS  30           HN       CYS  30   1.997   1.950  -2.996
  205    HA   CYS  30           HA       CYS  30   2.539   3.139  -0.418
  206    HB2  CYS  30           HB2      CYS  30   4.658   2.333  -2.395
  207    HB3  CYS  30           HB1      CYS  30   4.706   2.296  -0.640
  208    H    ALA  31           HN       ALA  31   2.400   5.284  -0.312
  209    HA   ALA  31           HA       ALA  31   2.852   6.871  -2.695
  210    HB1  ALA  31           HB1      ALA  31   0.873   7.284  -1.328
  211    HB2  ALA  31           HB2      ALA  31   1.903   8.712  -1.420
  212    HB3  ALA  31           HB3      ALA  31   1.904   7.719   0.036
  213    H    LYS  32           HN       LYS  32   3.736   7.697   0.644
  214    HA   LYS  32           HA       LYS  32   5.826   9.343  -0.229
  215    HB2  LYS  32           HB2      LYS  32   5.234   8.309   2.538
  216    HB3  LYS  32           HB1      LYS  32   6.351   9.613   2.163
  217    HG2  LYS  32           HG2      LYS  32   3.379   9.614   1.687
  218    HG3  LYS  32           HG1      LYS  32   4.247  10.508   2.934
  219    HD2  LYS  32           HD2      LYS  32   5.453  11.740   1.170
  220    HD3  LYS  32           HD1      LYS  32   4.501  10.887  -0.045
  221    HE2  LYS  32           HE2      LYS  32   3.560  13.078   0.365
  222    HE3  LYS  32           HE1      LYS  32   2.450  11.827   0.918
  223    HZ1  LYS  32           HZ1      LYS  32   4.270  13.431   2.628
  224    HZ2  LYS  32           HZ2      LYS  32   3.248  12.205   3.179
  225    HZ3  LYS  32           HZ3      LYS  32   2.594  13.613   2.513
  226    H    GLY  33           HN       GLY  33   7.522   8.492  -1.230
  227    HA2  GLY  33           HA2      GLY  33   9.593   7.532  -1.409
  228    HA3  GLY  33           HA1      GLY  33   9.529   7.243   0.320
  229    H    GLY  34           HN       GLY  34   6.913   5.888  -1.368
  230    HA2  GLY  34           HA2      GLY  34   6.391   3.715  -1.930
  231    HA3  GLY  34           HA1      GLY  34   8.114   3.379  -2.016
  232    H    PHE  35           HN       PHE  35   7.293   4.775   0.938
  233    HA   PHE  35           HA       PHE  35   7.428   2.131   2.198
  234    HB2  PHE  35           HB2      PHE  35   8.107   4.888   3.230
  235    HB3  PHE  35           HB1      PHE  35   7.981   3.492   4.290
  236    HD1  PHE  35           HD1      PHE  35   9.961   5.175   1.750
  237    HD2  PHE  35           HD2      PHE  35   9.640   1.705   4.189
  238    HE1  PHE  35           HE1      PHE  35  12.303   4.615   1.253
  239    HE2  PHE  35           HE2      PHE  35  11.986   1.141   3.700
  240    HZ   PHE  35           HZ       PHE  35  13.349   2.629   2.336
  241    H    VAL  36           HN       VAL  36   5.521   5.079   2.084
  242    HA   VAL  36           HA       VAL  36   3.866   4.131   4.286
  243    HB   VAL  36           HB       VAL  36   3.668   6.734   2.764
  244   HG11  VAL  36          HG11      VAL  36   1.580   6.091   3.844
  245   HG12  VAL  36          HG12      VAL  36   2.309   7.472   4.662
  246   HG13  VAL  36          HG13      VAL  36   2.427   5.863   5.373
  247   HG21  VAL  36          HG21      VAL  36   4.765   7.732   4.717
  248   HG22  VAL  36          HG22      VAL  36   5.804   6.548   3.924
  249   HG23  VAL  36          HG23      VAL  36   4.968   6.128   5.419
  250    H    CYS  37           HN       CYS  37   2.348   2.748   3.799
  251    HA   CYS  37           HA       CYS  37   1.073   2.569   1.244
  252    HB2  CYS  37           HB2      CYS  37   1.333   0.553   2.522
  253    HB3  CYS  37           HB1      CYS  37   0.564   1.272   3.930
  254    H    LYS  38           HN       LYS  38  -0.562   3.828   0.548
  255    HA   LYS  38           HA       LYS  38  -2.252   5.090   2.604
  256    HB2  LYS  38           HB2      LYS  38  -0.850   6.653   1.171
  257    HB3  LYS  38           HB1      LYS  38  -1.858   6.170  -0.183
  258    HG2  LYS  38           HG2      LYS  38  -3.821   7.013   0.895
  259    HG3  LYS  38           HG1      LYS  38  -2.924   7.352   2.371
  260    HD2  LYS  38           HD2      LYS  38  -3.223   9.412   1.251
  261    HD3  LYS  38           HD1      LYS  38  -1.534   8.957   1.031
  262    HE2  LYS  38           HE2      LYS  38  -2.022   8.151  -1.205
  263    HE3  LYS  38           HE1      LYS  38  -3.732   8.515  -0.985
  264    HZ1  LYS  38           HZ1      LYS  38  -2.624  10.235  -2.252
  265    HZ2  LYS  38           HZ2      LYS  38  -1.527  10.499  -0.994
  266    HZ3  LYS  38           HZ3      LYS  38  -3.166  10.855  -0.773
  267    H    CYS  39           HN       CYS  39  -4.425   5.141   2.307
  268    HA   CYS  39           HA       CYS  39  -5.442   3.248   0.298
  269    HB2  CYS  39           HB2      CYS  39  -6.599   3.955   3.004
  270    HB3  CYS  39           HB1      CYS  39  -7.280   2.796   1.868
  271    H    TYR  40           HN       TYR  40  -7.078   3.873  -1.020
  272    HA   TYR  40           HA       TYR  40  -8.274   6.502  -0.512
  273    HB2  TYR  40           HB2      TYR  40  -8.310   6.874  -2.992
  274    HB3  TYR  40           HB1      TYR  40  -6.709   6.908  -2.271
  275    HD1  TYR  40           HD1      TYR  40  -5.009   5.555  -3.135
  276    HD2  TYR  40           HD2      TYR  40  -9.047   4.727  -4.164
  277    HE1  TYR  40           HE1      TYR  40  -4.245   3.928  -4.809
  278    HE2  TYR  40           HE2      TYR  40  -8.305   3.094  -5.833
  279    HH   TYR  40           HH       TYR  40  -5.022   2.030  -6.023
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   6.186  -0.859   4.934
    2    H2   GLY   1           HT2      GLY   1   5.747  -0.214   6.434
    3    H3   GLY   1           HT3      GLY   1   6.198   0.816   5.172
    4    HA2  GLY   1           HA1      GLY   1   3.798   0.799   5.489
    5    HA3  GLY   1           HA2      GLY   1   4.269   0.214   3.900
    6    H    PHE   2           HN       PHE   2   2.205  -0.853   3.827
    7    HA   PHE   2           HA       PHE   2   2.017  -3.236   5.508
    8    HB2  PHE   2           HB2      PHE   2  -0.136  -1.869   3.880
    9    HB3  PHE   2           HB1      PHE   2  -0.373  -3.268   4.921
   10    HD1  PHE   2           HD1      PHE   2  -0.423  -3.040   7.321
   11    HD2  PHE   2           HD2      PHE   2   0.189   0.340   4.809
   12    HE1  PHE   2           HE1      PHE   2  -0.901  -1.547   9.216
   13    HE2  PHE   2           HE2      PHE   2  -0.286   1.838   6.701
   14    HZ   PHE   2           HZ       PHE   2  -0.833   0.895   8.907
   15    H    GLY   3           HN       GLY   3   3.845  -3.328   3.530
   16    HA2  GLY   3           HA2      GLY   3   3.799  -5.362   1.935
   17    HA3  GLY   3           HA1      GLY   3   2.606  -4.371   1.095
   18    H    CYS   4           HN       CYS   4   3.623  -1.873   1.402
   19    HA   CYS   4           HA       CYS   4   5.986  -1.885  -0.243
   20    HB2  CYS   4           HB2      CYS   4   4.580   0.501   0.972
   21    HB3  CYS   4           HB1      CYS   4   5.692   0.507  -0.394
   22    H    ASN   5           HN       ASN   5   7.712  -2.591   0.949
   23    HA   ASN   5           HA       ASN   5   8.269  -1.136   3.452
   24    HB2  ASN   5           HB2      ASN   5   8.732  -4.074   2.885
   25    HB3  ASN   5           HB1      ASN   5   9.259  -3.235   4.339
   26   HD21  ASN   5          HD21      ASN   5   7.425  -5.495   3.981
   27   HD22  ASN   5          HD22      ASN   5   5.939  -5.017   4.730
   28    H    GLY   6           HN       GLY   6   9.287  -0.142   1.162
   29    HA2  GLY   6           HA2      GLY   6  11.902   0.299   1.556
   30    HA3  GLY   6           HA1      GLY   6  11.925  -1.240   0.711
   31    HA   PRO   7           HA       PRO   7  11.522   2.214  -2.471
   32    HB2  PRO   7           HB2      PRO   7  14.095   2.412  -3.270
   33    HB3  PRO   7           HB1      PRO   7  13.445   3.406  -1.961
   34    HG2  PRO   7           HG2      PRO   7  15.054   0.880  -1.796
   35    HG3  PRO   7           HG1      PRO   7  15.246   2.382  -0.880
   36    HD2  PRO   7           HD2      PRO   7  13.987   0.217   0.139
   37    HD3  PRO   7           HD1      PRO   7  13.517   1.876   0.562
   38    H    TRP   8           HN       TRP   8  13.613  -0.591  -2.194
   39    HA   TRP   8           HA       TRP   8  13.032  -1.407  -4.943
   40    HB2  TRP   8           HB2      TRP   8  14.776  -3.042  -4.650
   41    HB3  TRP   8           HB1      TRP   8  15.372  -1.518  -4.001
   42    HD1  TRP   8           HD1      TRP   8  14.895  -1.339  -1.147
   43    HE1  TRP   8           HE1      TRP   8  15.401  -3.162   0.595
   44    HE3  TRP   8           HE3      TRP   8  15.076  -5.393  -4.253
   45    HZ2  TRP   8           HZ2      TRP   8  15.824  -5.946   0.641
   46    HZ3  TRP   8           HZ3      TRP   8  15.540  -7.601  -3.277
   47    HH2  TRP   8           HH2      TRP   8  15.907  -7.871  -0.881
   48    H    ASN   9           HN       ASN   9  11.629  -1.652  -2.004
   49    HA   ASN   9           HA       ASN   9  10.586  -4.357  -2.489
   50    HB2  ASN   9           HB2      ASN   9  12.332  -4.324  -0.689
   51    HB3  ASN   9           HB1      ASN   9  11.317  -3.215   0.221
   52   HD21  ASN   9          HD21      ASN   9  11.152  -4.636   1.938
   53   HD22  ASN   9          HD22      ASN   9  10.190  -6.073   1.864
   54    H    GLU  10           HN       GLU  10   9.508  -1.758  -3.161
   55    HA   GLU  10           HA       GLU  10   7.285  -1.458  -1.324
   56    HB2  GLU  10           HB2      GLU  10   6.704   0.325  -3.237
   57    HB3  GLU  10           HB1      GLU  10   7.783   0.672  -1.896
   58    HG2  GLU  10           HG2      GLU  10   9.711   0.216  -3.263
   59    HG3  GLU  10           HG1      GLU  10   8.672  -0.265  -4.614
   60    H    ASP  11           HN       ASP  11   5.868  -3.082  -1.564
   61    HA   ASP  11           HA       ASP  11   4.971  -3.768  -4.274
   62    HB2  ASP  11           HB2      ASP  11   5.726  -5.667  -2.932
   63    HB3  ASP  11           HB1      ASP  11   4.589  -5.240  -1.657
   64    H    ASP  12           HN       ASP  12   3.250  -2.697  -4.927
   65    HA   ASP  12           HA       ASP  12   1.556  -1.276  -3.116
   66    HB2  ASP  12           HB2      ASP  12   1.323  -1.717  -6.101
   67    HB3  ASP  12           HB1      ASP  12   0.309  -0.624  -5.170
   68    H    LEU  13           HN       LEU  13   1.531  -4.478  -4.226
   69    HA   LEU  13           HA       LEU  13  -1.289  -4.776  -4.594
   70    HB2  LEU  13           HB2      LEU  13   0.851  -6.236  -5.333
   71    HB3  LEU  13           HB1      LEU  13   0.359  -7.132  -3.919
   72    HG   LEU  13           HG       LEU  13  -0.681  -8.216  -5.738
   73   HD11  LEU  13          HD11      LEU  13  -3.059  -7.898  -5.396
   74   HD12  LEU  13          HD12      LEU  13  -2.748  -6.374  -4.570
   75   HD13  LEU  13          HD13      LEU  13  -2.187  -7.887  -3.865
   76   HD21  LEU  13          HD21      LEU  13  -1.990  -7.068  -7.442
   77   HD22  LEU  13          HD22      LEU  13  -0.329  -6.477  -7.407
   78   HD23  LEU  13          HD23      LEU  13  -1.622  -5.516  -6.689
   79    H    ARG  14           HN       ARG  14   0.992  -5.810  -2.048
   80    HA   ARG  14           HA       ARG  14  -0.928  -6.892  -0.315
   81    HB2  ARG  14           HB2      ARG  14   1.859  -5.971  -0.024
   82    HB3  ARG  14           HB1      ARG  14   0.906  -5.900   1.447
   83    HG2  ARG  14           HG2      ARG  14   1.353  -8.043   1.752
   84    HG3  ARG  14           HG1      ARG  14   0.324  -8.392   0.367
   85    HD2  ARG  14           HD2      ARG  14   3.285  -7.847   0.255
   86    HD3  ARG  14           HD1      ARG  14   2.541  -9.441   0.187
   87    HE   ARG  14           HE       ARG  14   2.374  -7.354  -1.889
   88   HH11  ARG  14          HH11      ARG  14   1.889 -10.686  -0.892
   89   HH12  ARG  14          HH12      ARG  14   1.728 -11.272  -2.517
   90   HH21  ARG  14          HH21      ARG  14   2.162  -8.119  -3.999
   91   HH22  ARG  14          HH22      ARG  14   1.870  -9.805  -4.290
   92    H    CYS  15           HN       CYS  15   0.234  -3.560  -0.597
   93    HA   CYS  15           HA       CYS  15  -1.307  -2.597   1.558
   94    HB2  CYS  15           HB2      CYS  15   0.104  -1.283  -0.748
   95    HB3  CYS  15           HB1      CYS  15  -0.800  -0.371   0.443
   96    H    HIS  16           HN       HIS  16  -1.900  -2.878  -1.916
   97    HA   HIS  16           HA       HIS  16  -4.405  -1.623  -2.019
   98    HB2  HIS  16           HB2      HIS  16  -3.434  -2.216  -4.092
   99    HB3  HIS  16           HB1      HIS  16  -3.146  -3.872  -3.585
  100    HD1  HIS  16           HD1      HIS  16  -6.065  -1.613  -4.493
  101    HD2  HIS  16           HD2      HIS  16  -5.026  -5.635  -4.431
  102    HE1  HIS  16           HE1      HIS  16  -8.013  -2.829  -5.508
  103    HE2  HIS  16           HE2      HIS  16  -7.252  -5.221  -5.682
  104    H    ASN  17           HN       ASN  17  -3.577  -5.022  -1.419
  105    HA   ASN  17           HA       ASN  17  -6.189  -5.932  -0.948
  106    HB2  ASN  17           HB2      ASN  17  -3.502  -6.966  -0.045
  107    HB3  ASN  17           HB1      ASN  17  -5.004  -7.822   0.248
  108   HD21  ASN  17          HD21      ASN  17  -2.703  -8.637  -1.300
  109   HD22  ASN  17          HD22      ASN  17  -3.268  -8.931  -2.909
  110    H    HIS  18           HN       HIS  18  -3.702  -4.697   1.211
  111    HA   HIS  18           HA       HIS  18  -4.940  -4.928   3.669
  112    HB2  HIS  18           HB2      HIS  18  -2.736  -4.120   3.699
  113    HB3  HIS  18           HB1      HIS  18  -3.070  -2.905   2.484
  114    HD1  HIS  18           HD1      HIS  18  -2.637  -0.712   3.579
  115    HD2  HIS  18           HD2      HIS  18  -4.808  -3.295   5.947
  116    HE1  HIS  18           HE1      HIS  18  -3.207   0.604   5.644
  117    HE2  HIS  18           HE2      HIS  18  -4.338  -1.053   7.164
  118    H    CYS  19           HN       CYS  19  -4.962  -2.007   1.687
  119    HA   CYS  19           HA       CYS  19  -6.744  -0.587   3.251
  120    HB2  CYS  19           HB2      CYS  19  -6.149  -0.280   0.306
  121    HB3  CYS  19           HB1      CYS  19  -6.955   0.925   1.300
  122    H    LYS  20           HN       LYS  20  -7.457  -2.689   0.456
  123    HA   LYS  20           HA       LYS  20 -10.186  -1.845   0.323
  124    HB2  LYS  20           HB2      LYS  20 -10.522  -3.578  -1.297
  125    HB3  LYS  20           HB1      LYS  20  -8.966  -2.826  -1.614
  126    HG2  LYS  20           HG2      LYS  20  -7.782  -4.669  -0.798
  127    HG3  LYS  20           HG1      LYS  20  -9.208  -5.343  -0.006
  128    HD2  LYS  20           HD2      LYS  20 -10.224  -5.638  -2.269
  129    HD3  LYS  20           HD1      LYS  20  -8.678  -5.151  -2.965
  130    HE2  LYS  20           HE2      LYS  20  -7.575  -7.029  -1.908
  131    HE3  LYS  20           HE1      LYS  20  -9.073  -7.484  -1.098
  132    HZ1  LYS  20           HZ1      LYS  20 -10.066  -7.943  -3.235
  133    HZ2  LYS  20           HZ2      LYS  20  -8.641  -8.835  -3.060
  134    HZ3  LYS  20           HZ3      LYS  20  -8.659  -7.456  -4.038
  135    H    SER  21           HN       SER  21  -8.527  -3.887   2.440
  136    HA   SER  21           HA       SER  21 -10.879  -5.454   3.133
  137    HB2  SER  21           HB2      SER  21  -8.115  -5.390   4.376
  138    HB3  SER  21           HB1      SER  21  -9.401  -6.519   4.802
  139    HG   SER  21           HG       SER  21  -7.891  -6.344   2.425
  140    H    ILE  22           HN       ILE  22  -9.879  -2.408   3.664
  141    HA   ILE  22           HA       ILE  22 -11.041  -2.249   6.359
  142    HB   ILE  22           HB       ILE  22  -9.473  -0.156   4.839
  143   HG12  ILE  22          HG12      ILE  22  -8.630  -1.893   7.169
  144   HG13  ILE  22          HG11      ILE  22  -8.068  -2.064   5.509
  145   HG21  ILE  22          HG21      ILE  22 -11.088   0.800   6.397
  146   HG22  ILE  22          HG22      ILE  22  -9.439   1.060   6.961
  147   HG23  ILE  22          HG23      ILE  22 -10.434  -0.195   7.698
  148   HD11  ILE  22          HD11      ILE  22  -6.432  -0.922   6.909
  149   HD12  ILE  22          HD12      ILE  22  -7.618   0.334   7.270
  150   HD13  ILE  22          HD13      ILE  22  -7.026   0.128   5.622
  151    H    LYS  23           HN       LYS  23 -13.012  -1.365   6.578
  152    HA   LYS  23           HA       LYS  23 -14.612  -0.793   4.338
  153    HB2  LYS  23           HB2      LYS  23 -15.256  -1.484   6.774
  154    HB3  LYS  23           HB1      LYS  23 -15.253   0.251   7.066
  155    HG2  LYS  23           HG2      LYS  23 -16.923   0.575   5.340
  156    HG3  LYS  23           HG1      LYS  23 -16.900  -1.153   4.981
  157    HD2  LYS  23           HD2      LYS  23 -17.704   0.087   7.610
  158    HD3  LYS  23           HD1      LYS  23 -18.812  -0.539   6.390
  159    HE2  LYS  23           HE2      LYS  23 -16.734  -2.152   7.872
  160    HE3  LYS  23           HE1      LYS  23 -18.460  -2.134   8.222
  161    HZ1  LYS  23           HZ1      LYS  23 -17.856  -4.048   6.890
  162    HZ2  LYS  23           HZ2      LYS  23 -17.224  -3.050   5.683
  163    HZ3  LYS  23           HZ3      LYS  23 -18.881  -3.026   6.015
  164    H    GLY  24           HN       GLY  24 -14.972   1.028   3.257
  165    HA2  GLY  24           HA2      GLY  24 -15.166   3.417   3.103
  166    HA3  GLY  24           HA1      GLY  24 -13.952   3.554   4.366
  167    H    TYR  25           HN       TYR  25 -12.593   1.234   2.713
  168    HA   TYR  25           HA       TYR  25 -11.422   2.997   0.665
  169    HB2  TYR  25           HB2      TYR  25  -9.868   1.080   2.415
  170    HB3  TYR  25           HB1      TYR  25  -9.202   2.125   1.167
  171    HD1  TYR  25           HD1      TYR  25  -9.621   1.774   4.585
  172    HD2  TYR  25           HD2      TYR  25  -9.866   4.717   1.531
  173    HE1  TYR  25           HE1      TYR  25  -9.282   3.528   6.267
  174    HE2  TYR  25           HE2      TYR  25  -9.530   6.489   3.203
  175    HH   TYR  25           HH       TYR  25  -8.451   5.863   6.344
  176    H    LYS  26           HN       LYS  26 -10.568   1.949  -1.187
  177    HA   LYS  26           HA       LYS  26 -11.255  -0.891  -1.463
  178    HB2  LYS  26           HB2      LYS  26 -12.045  -0.335  -3.823
  179    HB3  LYS  26           HB1      LYS  26 -13.129   0.051  -2.494
  180    HG2  LYS  26           HG2      LYS  26 -13.310   2.035  -3.502
  181    HG3  LYS  26           HG1      LYS  26 -11.725   2.376  -2.804
  182    HD2  LYS  26           HD2      LYS  26 -10.647   1.573  -4.823
  183    HD3  LYS  26           HD1      LYS  26 -12.214   1.177  -5.527
  184    HE2  LYS  26           HE2      LYS  26 -11.314   3.945  -4.729
  185    HE3  LYS  26           HE1      LYS  26 -11.318   3.312  -6.372
  186    HZ1  LYS  26           HZ1      LYS  26 -13.269   4.685  -5.870
  187    HZ2  LYS  26           HZ2      LYS  26 -13.729   3.596  -4.664
  188    HZ3  LYS  26           HZ3      LYS  26 -13.694   3.102  -6.281
  189    H    GLY  27           HN       GLY  27  -8.830   1.207  -1.500
  190    HA2  GLY  27           HA2      GLY  27  -7.148  -0.598  -2.948
  191    HA3  GLY  27           HA1      GLY  27  -7.406   0.897  -3.833
  192    H    GLY  28           HN       GLY  28  -4.889   0.192  -3.108
  193    HA2  GLY  28           HA2      GLY  28  -4.102   2.405  -1.452
  194    HA3  GLY  28           HA1      GLY  28  -3.811   0.842  -0.699
  195    H    TYR  29           HN       TYR  29  -1.928   2.921  -1.672
  196    HA   TYR  29           HA       TYR  29  -0.218   1.174  -3.261
  197    HB2  TYR  29           HB2      TYR  29   0.236   2.951  -4.921
  198    HB3  TYR  29           HB1      TYR  29  -1.446   2.437  -4.961
  199    HD1  TYR  29           HD1      TYR  29  -3.214   3.923  -4.108
  200    HD2  TYR  29           HD2      TYR  29   0.841   5.181  -4.269
  201    HE1  TYR  29           HE1      TYR  29  -3.934   6.258  -3.847
  202    HE2  TYR  29           HE2      TYR  29   0.133   7.520  -4.005
  203    HH   TYR  29           HH       TYR  29  -3.042   8.391  -3.112
  204    H    CYS  30           HN       CYS  30   2.025   1.912  -3.300
  205    HA   CYS  30           HA       CYS  30   2.820   3.101  -0.821
  206    HB2  CYS  30           HB2      CYS  30   4.772   2.970  -3.057
  207    HB3  CYS  30           HB1      CYS  30   4.957   2.488  -1.380
  208    H    ALA  31           HN       ALA  31   2.382   5.232  -0.513
  209    HA   ALA  31           HA       ALA  31   2.550   7.023  -2.819
  210    HB1  ALA  31           HB1      ALA  31   1.371   7.523  -0.090
  211    HB2  ALA  31           HB2      ALA  31   0.475   7.048  -1.533
  212    HB3  ALA  31           HB3      ALA  31   1.288   8.611  -1.475
  213    H    LYS  32           HN       LYS  32   3.043   7.980   0.537
  214    HA   LYS  32           HA       LYS  32   5.052   9.779  -0.237
  215    HB2  LYS  32           HB2      LYS  32   4.459   8.909   2.586
  216    HB3  LYS  32           HB1      LYS  32   5.185  10.420   2.066
  217    HG2  LYS  32           HG2      LYS  32   2.344   9.549   1.579
  218    HG3  LYS  32           HG1      LYS  32   2.883  10.752   2.746
  219    HD2  LYS  32           HD2      LYS  32   3.463  11.064  -0.181
  220    HD3  LYS  32           HD1      LYS  32   1.910  11.548   0.490
  221    HE2  LYS  32           HE2      LYS  32   3.173  13.509   0.509
  222    HE3  LYS  32           HE1      LYS  32   3.271  12.923   2.166
  223    HZ1  LYS  32           HZ1      LYS  32   5.354  12.486   0.095
  224    HZ2  LYS  32           HZ2      LYS  32   5.461  12.071   1.732
  225    HZ3  LYS  32           HZ3      LYS  32   5.408  13.694   1.276
  226    H    GLY  33           HN       GLY  33   7.043   9.263  -0.767
  227    HA2  GLY  33           HA2      GLY  33   9.188   8.463  -0.563
  228    HA3  GLY  33           HA1      GLY  33   8.755   7.838   1.020
  229    H    GLY  34           HN       GLY  34   6.526   6.682  -1.126
  230    HA2  GLY  34           HA2      GLY  34   6.245   4.627  -2.142
  231    HA3  GLY  34           HA1      GLY  34   7.985   4.391  -2.067
  232    H    PHE  35           HN       PHE  35   6.682   5.268   0.921
  233    HA   PHE  35           HA       PHE  35   6.747   2.448   1.779
  234    HB2  PHE  35           HB2      PHE  35   7.231   4.860   3.533
  235    HB3  PHE  35           HB1      PHE  35   7.528   3.174   3.930
  236    HD1  PHE  35           HD1      PHE  35   9.028   6.149   3.033
  237    HD2  PHE  35           HD2      PHE  35   9.207   1.979   2.192
  238    HE1  PHE  35           HE1      PHE  35  11.349   6.408   2.265
  239    HE2  PHE  35           HE2      PHE  35  11.529   2.236   1.422
  240    HZ   PHE  35           HZ       PHE  35  12.601   4.449   1.459
  241    H    VAL  36           HN       VAL  36   5.154   5.568   2.253
  242    HA   VAL  36           HA       VAL  36   3.212   4.485   4.074
  243    HB   VAL  36           HB       VAL  36   3.275   7.171   2.690
  244   HG11  VAL  36          HG11      VAL  36   1.595   6.193   5.000
  245   HG12  VAL  36          HG12      VAL  36   1.018   6.594   3.381
  246   HG13  VAL  36          HG13      VAL  36   1.667   7.858   4.424
  247   HG21  VAL  36          HG21      VAL  36   5.199   6.820   4.149
  248   HG22  VAL  36          HG22      VAL  36   4.124   6.366   5.471
  249   HG23  VAL  36          HG23      VAL  36   4.098   8.013   4.840
  250    H    CYS  37           HN       CYS  37   1.845   3.047   3.233
  251    HA   CYS  37           HA       CYS  37   0.831   3.242   0.578
  252    HB2  CYS  37           HB2      CYS  37   0.060   1.463   2.894
  253    HB3  CYS  37           HB1      CYS  37  -0.453   1.258   1.230
  254    H    LYS  38           HN       LYS  38  -0.559   4.781   0.097
  255    HA   LYS  38           HA       LYS  38  -2.419   5.780   2.085
  256    HB2  LYS  38           HB2      LYS  38  -1.103   7.158   0.372
  257    HB3  LYS  38           HB1      LYS  38  -2.291   6.633  -0.799
  258    HG2  LYS  38           HG2      LYS  38  -2.964   8.102   1.742
  259    HG3  LYS  38           HG1      LYS  38  -2.670   8.898   0.201
  260    HD2  LYS  38           HD2      LYS  38  -4.816   6.838   0.696
  261    HD3  LYS  38           HD1      LYS  38  -5.071   8.582   0.713
  262    HE2  LYS  38           HE2      LYS  38  -4.058   7.003  -1.650
  263    HE3  LYS  38           HE1      LYS  38  -5.725   7.524  -1.422
  264    HZ1  LYS  38           HZ1      LYS  38  -4.518   9.023  -2.875
  265    HZ2  LYS  38           HZ2      LYS  38  -3.376   9.325  -1.666
  266    HZ3  LYS  38           HZ3      LYS  38  -4.979   9.817  -1.455
  267    H    CYS  39           HN       CYS  39  -4.453   5.288   2.204
  268    HA   CYS  39           HA       CYS  39  -5.503   3.272   0.353
  269    HB2  CYS  39           HB2      CYS  39  -6.526   4.088   3.083
  270    HB3  CYS  39           HB1      CYS  39  -7.117   2.747   2.111
  271    H    TYR  40           HN       TYR  40  -7.261   3.653  -0.891
  272    HA   TYR  40           HA       TYR  40  -8.652   6.208  -0.485
  273    HB2  TYR  40           HB2      TYR  40  -8.926   6.364  -2.962
  274    HB3  TYR  40           HB1      TYR  40  -7.266   6.527  -2.416
  275    HD1  TYR  40           HD1      TYR  40  -5.595   5.244  -3.432
  276    HD2  TYR  40           HD2      TYR  40  -9.651   4.021  -3.776
  277    HE1  TYR  40           HE1      TYR  40  -4.913   3.458  -4.973
  278    HE2  TYR  40           HE2      TYR  40  -8.984   2.232  -5.320
  279    HH   TYR  40           HH       TYR  40  -5.783   1.253  -5.727
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   6.458  -2.514   6.190
    2    H2   GLY   1           HT2      GLY   1   5.569  -2.168   7.585
    3    H3   GLY   1           HT3      GLY   1   6.611  -1.005   6.937
    4    HA2  GLY   1           HA1      GLY   1   4.353  -0.438   6.395
    5    HA3  GLY   1           HA2      GLY   1   5.245  -0.870   4.941
    6    H    PHE   2           HN       PHE   2   2.646  -0.997   4.643
    7    HA   PHE   2           HA       PHE   2   1.583  -3.561   5.410
    8    HB2  PHE   2           HB2      PHE   2   0.347  -1.465   3.615
    9    HB3  PHE   2           HB1      PHE   2  -0.485  -2.805   4.398
   10    HD1  PHE   2           HD1      PHE   2  -0.668  -2.822   6.901
   11    HD2  PHE   2           HD2      PHE   2   0.651   0.581   4.711
   12    HE1  PHE   2           HE1      PHE   2  -1.159  -1.389   8.839
   13    HE2  PHE   2           HE2      PHE   2   0.164   2.020   6.646
   14    HZ   PHE   2           HZ       PHE   2  -0.730   1.039   8.712
   15    H    GLY   3           HN       GLY   3   3.545  -4.429   4.143
   16    HA2  GLY   3           HA2      GLY   3   3.981  -5.904   2.366
   17    HA3  GLY   3           HA1      GLY   3   2.638  -5.196   1.480
   18    H    CYS   4           HN       CYS   4   3.248  -2.543   1.634
   19    HA   CYS   4           HA       CYS   4   5.535  -2.303  -0.118
   20    HB2  CYS   4           HB2      CYS   4   3.553  -1.021  -0.679
   21    HB3  CYS   4           HB1      CYS   4   3.551  -0.266   0.913
   22    H    ASN   5           HN       ASN   5   7.490  -2.088   0.677
   23    HA   ASN   5           HA       ASN   5   7.843  -0.570   3.179
   24    HB2  ASN   5           HB2      ASN   5   9.341  -3.052   2.301
   25    HB3  ASN   5           HB1      ASN   5   9.745  -2.081   3.712
   26   HD21  ASN   5          HD21      ASN   5   7.482  -4.322   2.323
   27   HD22  ASN   5          HD22      ASN   5   6.662  -4.711   3.795
   28    H    GLY   6           HN       GLY   6   7.906   0.477   0.562
   29    HA2  GLY   6           HA2      GLY   6   9.231   2.258  -0.191
   30    HA3  GLY   6           HA1      GLY   6  10.606   1.573   0.656
   31    HA   PRO   7           HA       PRO   7  10.891   1.409  -4.146
   32    HB2  PRO   7           HB2      PRO   7  13.687   1.495  -3.228
   33    HB3  PRO   7           HB1      PRO   7  12.876   2.470  -4.456
   34    HG2  PRO   7           HG2      PRO   7  13.458   3.170  -1.756
   35    HG3  PRO   7           HG1      PRO   7  12.590   4.132  -2.960
   36    HD2  PRO   7           HD2      PRO   7  11.497   3.047  -0.645
   37    HD3  PRO   7           HD1      PRO   7  10.576   3.612  -2.051
   38    H    TRP   8           HN       TRP   8  12.551  -0.291  -1.543
   39    HA   TRP   8           HA       TRP   8  13.664  -2.254  -3.364
   40    HB2  TRP   8           HB2      TRP   8  14.053  -2.861  -0.566
   41    HB3  TRP   8           HB1      TRP   8  15.247  -2.456  -1.797
   42    HD1  TRP   8           HD1      TRP   8  13.350  -0.985   1.112
   43    HE1  TRP   8           HE1      TRP   8  14.192   1.401   1.573
   44    HE3  TRP   8           HE3      TRP   8  16.233  -0.334  -3.053
   45    HZ2  TRP   8           HZ2      TRP   8  15.850   3.310   0.325
   46    HZ3  TRP   8           HZ3      TRP   8  17.410   1.804  -3.343
   47    HH2  TRP   8           HH2      TRP   8  17.223   3.587  -1.691
   48    H    ASN   9           HN       ASN   9  10.754  -1.918  -1.837
   49    HA   ASN   9           HA       ASN   9   9.911  -4.570  -2.382
   50    HB2  ASN   9           HB2      ASN   9  11.172  -5.060  -0.317
   51    HB3  ASN   9           HB1      ASN   9  10.236  -3.849   0.548
   52   HD21  ASN   9          HD21      ASN   9   9.558  -5.401   2.033
   53   HD22  ASN   9          HD22      ASN   9   8.349  -6.575   1.639
   54    H    GLU  10           HN       GLU  10   8.835  -2.457  -3.384
   55    HA   GLU  10           HA       GLU  10   6.712  -1.470  -1.652
   56    HB2  GLU  10           HB2      GLU  10   6.311  -0.089  -3.916
   57    HB3  GLU  10           HB1      GLU  10   7.436   0.411  -2.667
   58    HG2  GLU  10           HG2      GLU  10   8.431   0.630  -4.856
   59    HG3  GLU  10           HG1      GLU  10   9.278  -0.584  -3.902
   60    H    ASP  11           HN       ASP  11   5.919  -3.794  -1.802
   61    HA   ASP  11           HA       ASP  11   4.571  -4.566  -4.205
   62    HB2  ASP  11           HB2      ASP  11   5.359  -6.171  -2.428
   63    HB3  ASP  11           HB1      ASP  11   4.041  -5.592  -1.412
   64    H    ASP  12           HN       ASP  12   2.959  -3.388  -4.943
   65    HA   ASP  12           HA       ASP  12   1.374  -1.692  -3.292
   66    HB2  ASP  12           HB2      ASP  12   1.925  -1.115  -5.618
   67    HB3  ASP  12           HB1      ASP  12   0.998  -2.497  -6.184
   68    H    LEU  13           HN       LEU  13   0.989  -4.911  -4.589
   69    HA   LEU  13           HA       LEU  13  -1.820  -5.033  -4.546
   70    HB2  LEU  13           HB2      LEU  13   0.147  -6.622  -5.480
   71    HB3  LEU  13           HB1      LEU  13  -0.304  -7.509  -4.048
   72    HG   LEU  13           HG       LEU  13  -1.540  -8.435  -5.874
   73   HD11  LEU  13          HD11      LEU  13  -3.835  -8.099  -5.217
   74   HD12  LEU  13          HD12      LEU  13  -3.392  -6.628  -4.351
   75   HD13  LEU  13          HD13      LEU  13  -2.791  -8.190  -3.798
   76   HD21  LEU  13          HD21      LEU  13  -2.546  -5.659  -6.473
   77   HD22  LEU  13          HD22      LEU  13  -2.940  -7.137  -7.350
   78   HD23  LEU  13          HD23      LEU  13  -1.297  -6.500  -7.391
   79    H    ARG  14           HN       ARG  14   0.611  -6.216  -2.201
   80    HA   ARG  14           HA       ARG  14  -1.126  -7.252  -0.297
   81    HB2  ARG  14           HB2      ARG  14   1.520  -5.845   0.033
   82    HB3  ARG  14           HB1      ARG  14   0.679  -6.614   1.366
   83    HG2  ARG  14           HG2      ARG  14   0.805  -8.761   0.246
   84    HG3  ARG  14           HG1      ARG  14   1.561  -8.001  -1.152
   85    HD2  ARG  14           HD2      ARG  14   3.278  -9.035   0.149
   86    HD3  ARG  14           HD1      ARG  14   3.422  -7.285   0.319
   87    HE   ARG  14           HE       ARG  14   1.839  -8.427   2.398
   88   HH11  ARG  14          HH11      ARG  14   5.151  -7.974   1.357
   89   HH12  ARG  14          HH12      ARG  14   5.796  -8.010   2.965
   90   HH21  ARG  14          HH21      ARG  14   2.688  -8.469   4.526
   91   HH22  ARG  14          HH22      ARG  14   4.397  -8.297   4.767
   92    H    CYS  15           HN       CYS  15   0.126  -3.927  -0.439
   93    HA   CYS  15           HA       CYS  15  -1.429  -2.947   1.693
   94    HB2  CYS  15           HB2      CYS  15   0.528  -1.749   0.776
   95    HB3  CYS  15           HB1      CYS  15  -0.384  -1.403  -0.693
   96    H    HIS  16           HN       HIS  16  -2.020  -3.038  -1.791
   97    HA   HIS  16           HA       HIS  16  -4.472  -1.742  -1.921
   98    HB2  HIS  16           HB2      HIS  16  -3.166  -2.480  -3.881
   99    HB3  HIS  16           HB1      HIS  16  -3.516  -4.152  -3.487
  100    HD1  HIS  16           HD1      HIS  16  -5.072  -1.076  -4.939
  101    HD2  HIS  16           HD2      HIS  16  -5.986  -5.085  -4.352
  102    HE1  HIS  16           HE1      HIS  16  -7.161  -1.489  -6.268
  103    HE2  HIS  16           HE2      HIS  16  -7.604  -3.953  -6.025
  104    H    ASN  17           HN       ASN  17  -3.748  -5.131  -1.211
  105    HA   ASN  17           HA       ASN  17  -6.394  -6.017  -0.824
  106    HB2  ASN  17           HB2      ASN  17  -3.730  -7.010   0.194
  107    HB3  ASN  17           HB1      ASN  17  -5.237  -7.844   0.525
  108   HD21  ASN  17          HD21      ASN  17  -2.947  -8.811  -0.929
  109   HD22  ASN  17          HD22      ASN  17  -3.486  -9.179  -2.536
  110    H    HIS  18           HN       HIS  18  -3.946  -4.802   1.425
  111    HA   HIS  18           HA       HIS  18  -5.335  -5.139   3.815
  112    HB2  HIS  18           HB2      HIS  18  -2.979  -4.549   3.796
  113    HB3  HIS  18           HB1      HIS  18  -3.333  -3.009   3.032
  114    HD1  HIS  18           HD1      HIS  18  -3.871  -4.813   6.323
  115    HD2  HIS  18           HD2      HIS  18  -3.829  -0.975   4.750
  116    HE1  HIS  18           HE1      HIS  18  -4.051  -3.275   8.302
  117    HE2  HIS  18           HE2      HIS  18  -4.039  -0.951   7.329
  118    H    CYS  19           HN       CYS  19  -5.280  -2.342   1.627
  119    HA   CYS  19           HA       CYS  19  -6.977  -0.745   3.228
  120    HB2  CYS  19           HB2      CYS  19  -6.385  -0.560   0.271
  121    HB3  CYS  19           HB1      CYS  19  -7.164   0.692   1.232
  122    H    LYS  20           HN       LYS  20  -7.630  -3.149   0.750
  123    HA   LYS  20           HA       LYS  20 -10.372  -2.429   0.409
  124    HB2  LYS  20           HB2      LYS  20  -8.860  -4.952  -0.236
  125    HB3  LYS  20           HB1      LYS  20 -10.569  -4.741  -0.592
  126    HG2  LYS  20           HG2      LYS  20 -10.041  -2.836  -2.020
  127    HG3  LYS  20           HG1      LYS  20  -8.330  -3.035  -1.657
  128    HD2  LYS  20           HD2      LYS  20  -8.744  -4.040  -3.778
  129    HD3  LYS  20           HD1      LYS  20  -8.473  -5.336  -2.612
  130    HE2  LYS  20           HE2      LYS  20 -10.873  -5.681  -2.416
  131    HE3  LYS  20           HE1      LYS  20 -11.163  -4.350  -3.532
  132    HZ1  LYS  20           HZ1      LYS  20  -9.962  -5.610  -5.238
  133    HZ2  LYS  20           HZ2      LYS  20 -11.326  -6.436  -4.683
  134    HZ3  LYS  20           HZ3      LYS  20  -9.790  -6.902  -4.161
  135    H    SER  21           HN       SER  21  -8.619  -4.556   2.563
  136    HA   SER  21           HA       SER  21 -10.843  -5.898   3.669
  137    HB2  SER  21           HB2      SER  21  -8.436  -6.583   3.936
  138    HB3  SER  21           HB1      SER  21  -8.232  -5.239   5.059
  139    HG   SER  21           HG       SER  21 -10.241  -7.198   5.428
  140    H    ILE  22           HN       ILE  22  -9.450  -2.761   4.175
  141    HA   ILE  22           HA       ILE  22 -11.142  -2.182   6.468
  142    HB   ILE  22           HB       ILE  22  -9.409  -0.273   4.892
  143   HG12  ILE  22          HG12      ILE  22  -8.697  -1.737   7.441
  144   HG13  ILE  22          HG11      ILE  22  -8.113  -2.190   5.842
  145   HG21  ILE  22          HG21      ILE  22 -11.107   0.804   6.259
  146   HG22  ILE  22          HG22      ILE  22  -9.503   1.085   6.937
  147   HG23  ILE  22          HG23      ILE  22 -10.574  -0.109   7.670
  148   HD11  ILE  22          HD11      ILE  22  -7.013  -0.017   5.639
  149   HD12  ILE  22          HD12      ILE  22  -6.445  -0.917   7.044
  150   HD13  ILE  22          HD13      ILE  22  -7.583   0.414   7.250
  151    H    LYS  23           HN       LYS  23 -13.220  -1.624   6.142
  152    HA   LYS  23           HA       LYS  23 -14.268  -1.164   3.584
  153    HB2  LYS  23           HB2      LYS  23 -15.709  -2.080   5.192
  154    HB3  LYS  23           HB1      LYS  23 -15.399  -0.793   6.345
  155    HG2  LYS  23           HG2      LYS  23 -16.545   0.773   4.864
  156    HG3  LYS  23           HG1      LYS  23 -16.889  -0.543   3.742
  157    HD2  LYS  23           HD2      LYS  23 -17.843  -0.341   6.599
  158    HD3  LYS  23           HD1      LYS  23 -18.823  -0.066   5.160
  159    HE2  LYS  23           HE2      LYS  23 -18.435  -2.396   4.473
  160    HE3  LYS  23           HE1      LYS  23 -17.493  -2.659   5.938
  161    HZ1  LYS  23           HZ1      LYS  23 -20.361  -1.913   5.845
  162    HZ2  LYS  23           HZ2      LYS  23 -19.457  -2.179   7.248
  163    HZ3  LYS  23           HZ3      LYS  23 -19.753  -3.453   6.179
  164    H    GLY  24           HN       GLY  24 -14.626   0.582   2.446
  165    HA2  GLY  24           HA2      GLY  24 -15.100   2.980   2.339
  166    HA3  GLY  24           HA1      GLY  24 -13.967   3.190   3.667
  167    H    TYR  25           HN       TYR  25 -12.324   1.009   2.114
  168    HA   TYR  25           HA       TYR  25 -11.142   2.907   0.194
  169    HB2  TYR  25           HB2      TYR  25  -9.629   0.936   1.913
  170    HB3  TYR  25           HB1      TYR  25  -8.931   2.087   0.778
  171    HD1  TYR  25           HD1      TYR  25  -9.780   1.515   4.152
  172    HD2  TYR  25           HD2      TYR  25  -9.499   4.593   1.236
  173    HE1  TYR  25           HE1      TYR  25  -9.629   3.191   5.943
  174    HE2  TYR  25           HE2      TYR  25  -9.345   6.276   3.013
  175    HH   TYR  25           HH       TYR  25  -8.763   5.485   6.250
  176    H    LYS  26           HN       LYS  26 -10.041   2.001  -1.599
  177    HA   LYS  26           HA       LYS  26 -10.962  -0.714  -2.276
  178    HB2  LYS  26           HB2      LYS  26 -10.973   0.072  -4.636
  179    HB3  LYS  26           HB1      LYS  26 -12.176   0.825  -3.604
  180    HG2  LYS  26           HG2      LYS  26 -10.252   2.626  -3.329
  181    HG3  LYS  26           HG1      LYS  26  -9.798   1.989  -4.913
  182    HD2  LYS  26           HD2      LYS  26 -12.604   2.779  -4.274
  183    HD3  LYS  26           HD1      LYS  26 -11.425   3.972  -4.828
  184    HE2  LYS  26           HE2      LYS  26 -12.588   3.275  -6.761
  185    HE3  LYS  26           HE1      LYS  26 -11.036   2.447  -6.817
  186    HZ1  LYS  26           HZ1      LYS  26 -12.881   0.984  -7.393
  187    HZ2  LYS  26           HZ2      LYS  26 -13.585   1.244  -5.879
  188    HZ3  LYS  26           HZ3      LYS  26 -12.098   0.451  -5.996
  189    H    GLY  27           HN       GLY  27  -8.279   1.214  -1.719
  190    HA2  GLY  27           HA2      GLY  27  -6.437  -0.827  -2.193
  191    HA3  GLY  27           HA1      GLY  27  -6.458   0.190  -3.627
  192    H    GLY  28           HN       GLY  28  -4.109   0.257  -2.682
  193    HA2  GLY  28           HA2      GLY  28  -3.948   2.790  -1.198
  194    HA3  GLY  28           HA1      GLY  28  -3.013   1.410  -0.640
  195    H    TYR  29           HN       TYR  29  -1.564   3.552  -1.171
  196    HA   TYR  29           HA       TYR  29   0.051   2.618  -3.378
  197    HB2  TYR  29           HB2      TYR  29   0.206   4.797  -4.499
  198    HB3  TYR  29           HB1      TYR  29  -1.439   4.182  -4.535
  199    HD1  TYR  29           HD1      TYR  29  -3.029   5.066  -2.699
  200    HD2  TYR  29           HD2      TYR  29   0.614   6.970  -3.759
  201    HE1  TYR  29           HE1      TYR  29  -3.851   7.158  -1.711
  202    HE2  TYR  29           HE2      TYR  29  -0.191   9.071  -2.767
  203    HH   TYR  29           HH       TYR  29  -2.429  10.124  -2.270
  204    H    CYS  30           HN       CYS  30   2.170   3.035  -3.091
  205    HA   CYS  30           HA       CYS  30   3.040   3.992  -0.543
  206    HB2  CYS  30           HB2      CYS  30   4.808   3.532  -2.941
  207    HB3  CYS  30           HB1      CYS  30   5.224   3.388  -1.240
  208    H    ALA  31           HN       ALA  31   2.721   6.128  -0.161
  209    HA   ALA  31           HA       ALA  31   3.161   8.033  -2.328
  210    HB1  ALA  31           HB1      ALA  31   1.998   8.477   0.415
  211    HB2  ALA  31           HB2      ALA  31   1.075   8.169  -1.056
  212    HB3  ALA  31           HB3      ALA  31   2.032   9.644  -0.906
  213    H    LYS  32           HN       LYS  32   3.731   8.511   1.135
  214    HA   LYS  32           HA       LYS  32   5.733  10.383   0.730
  215    HB2  LYS  32           HB2      LYS  32   5.366   8.720   3.217
  216    HB3  LYS  32           HB1      LYS  32   6.118  10.302   3.104
  217    HG2  LYS  32           HG2      LYS  32   3.216   9.725   2.551
  218    HG3  LYS  32           HG1      LYS  32   3.858  10.390   4.053
  219    HD2  LYS  32           HD2      LYS  32   4.698  12.336   2.832
  220    HD3  LYS  32           HD1      LYS  32   4.067  11.669   1.326
  221    HE2  LYS  32           HE2      LYS  32   1.802  11.785   2.207
  222    HE3  LYS  32           HE1      LYS  32   2.416  12.391   3.745
  223    HZ1  LYS  32           HZ1      LYS  32   1.571  14.170   2.339
  224    HZ2  LYS  32           HZ2      LYS  32   2.682  13.770   1.129
  225    HZ3  LYS  32           HZ3      LYS  32   3.227  14.354   2.619
  226    H    GLY  33           HN       GLY  33   7.556   9.932  -0.323
  227    HA2  GLY  33           HA2      GLY  33   9.684   9.143  -0.643
  228    HA3  GLY  33           HA1      GLY  33   9.570   8.386   0.936
  229    H    GLY  34           HN       GLY  34   7.029   7.407  -1.019
  230    HA2  GLY  34           HA2      GLY  34   6.618   5.445  -2.172
  231    HA3  GLY  34           HA1      GLY  34   8.354   5.214  -2.314
  232    H    PHE  35           HN       PHE  35   7.510   5.779   0.882
  233    HA   PHE  35           HA       PHE  35   7.660   2.898   1.447
  234    HB2  PHE  35           HB2      PHE  35   8.357   5.312   3.124
  235    HB3  PHE  35           HB1      PHE  35   8.250   3.693   3.796
  236    HD1  PHE  35           HD1      PHE  35  10.077   5.814   1.393
  237    HD2  PHE  35           HD2      PHE  35  10.020   2.162   3.570
  238    HE1  PHE  35           HE1      PHE  35  12.426   5.418   0.780
  239    HE2  PHE  35           HE2      PHE  35  12.368   1.756   2.959
  240    HZ   PHE  35           HZ       PHE  35  13.575   3.384   1.561
  241    H    VAL  36           HN       VAL  36   5.883   5.840   2.250
  242    HA   VAL  36           HA       VAL  36   4.189   4.412   4.118
  243    HB   VAL  36           HB       VAL  36   4.038   7.289   3.210
  244   HG11  VAL  36          HG11      VAL  36   2.728   5.873   5.528
  245   HG12  VAL  36          HG12      VAL  36   1.922   6.515   4.095
  246   HG13  VAL  36          HG13      VAL  36   2.690   7.614   5.243
  247   HG21  VAL  36          HG21      VAL  36   5.123   7.812   5.350
  248   HG22  VAL  36          HG22      VAL  36   6.155   6.829   4.310
  249   HG23  VAL  36          HG23      VAL  36   5.308   6.087   5.666
  250    H    CYS  37           HN       CYS  37   2.738   3.118   3.198
  251    HA   CYS  37           HA       CYS  37   1.453   3.853   0.721
  252    HB2  CYS  37           HB2      CYS  37   2.116   1.487   1.309
  253    HB3  CYS  37           HB1      CYS  37   0.808   1.491   2.488
  254    H    LYS  38           HN       LYS  38  -0.384   4.896   0.540
  255    HA   LYS  38           HA       LYS  38  -2.058   5.215   2.946
  256    HB2  LYS  38           HB2      LYS  38  -0.790   7.176   1.656
  257    HB3  LYS  38           HB1      LYS  38  -2.250   7.147   0.696
  258    HG2  LYS  38           HG2      LYS  38  -2.182   7.454   3.694
  259    HG3  LYS  38           HG1      LYS  38  -2.224   8.804   2.567
  260    HD2  LYS  38           HD2      LYS  38  -4.323   6.727   2.285
  261    HD3  LYS  38           HD1      LYS  38  -4.415   7.785   3.691
  262    HE2  LYS  38           HE2      LYS  38  -5.705   8.871   2.077
  263    HE3  LYS  38           HE1      LYS  38  -4.161   9.714   2.027
  264    HZ1  LYS  38           HZ1      LYS  38  -3.563   8.507   0.058
  265    HZ2  LYS  38           HZ2      LYS  38  -5.083   9.209  -0.181
  266    HZ3  LYS  38           HZ3      LYS  38  -4.962   7.558   0.155
  267    H    CYS  39           HN       CYS  39  -4.219   4.932   2.743
  268    HA   CYS  39           HA       CYS  39  -5.018   3.288   0.484
  269    HB2  CYS  39           HB2      CYS  39  -6.473   3.943   3.052
  270    HB3  CYS  39           HB1      CYS  39  -7.020   2.788   1.844
  271    H    TYR  40           HN       TYR  40  -6.959   3.608  -0.696
  272    HA   TYR  40           HA       TYR  40  -8.255   6.215  -0.482
  273    HB2  TYR  40           HB2      TYR  40  -8.181   6.493  -2.963
  274    HB3  TYR  40           HB1      TYR  40  -6.604   6.620  -2.198
  275    HD1  TYR  40           HD1      TYR  40  -4.841   5.110  -2.771
  276    HD2  TYR  40           HD2      TYR  40  -8.777   4.444  -4.216
  277    HE1  TYR  40           HE1      TYR  40  -3.979   3.393  -4.308
  278    HE2  TYR  40           HE2      TYR  40  -7.934   2.728  -5.756
  279    HH   TYR  40           HH       TYR  40  -5.887   2.069  -6.838
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   4.766  -2.050   8.272
    2    H2   GLY   1           HT2      GLY   1   6.085  -1.070   7.882
    3    H3   GLY   1           HT3      GLY   1   6.092  -2.704   7.455
    4    HA2  GLY   1           HA1      GLY   1   4.249  -0.645   6.390
    5    HA3  GLY   1           HA2      GLY   1   5.633  -1.315   5.537
    6    H    PHE   2           HN       PHE   2   2.817  -1.367   4.784
    7    HA   PHE   2           HA       PHE   2   2.017  -4.120   5.154
    8    HB2  PHE   2           HB2      PHE   2   0.611  -1.962   3.573
    9    HB3  PHE   2           HB1      PHE   2  -0.070  -3.493   4.113
   10    HD1  PHE   2           HD1      PHE   2  -0.109  -3.878   6.682
   11    HD2  PHE   2           HD2      PHE   2   0.308  -0.067   4.837
   12    HE1  PHE   2           HE1      PHE   2  -0.880  -2.794   8.752
   13    HE2  PHE   2           HE2      PHE   2  -0.459   1.022   6.902
   14    HZ   PHE   2           HZ       PHE   2  -1.053  -0.341   8.863
   15    H    GLY   3           HN       GLY   3   4.131  -4.576   3.958
   16    HA2  GLY   3           HA2      GLY   3   4.819  -5.777   2.047
   17    HA3  GLY   3           HA1      GLY   3   3.499  -5.047   1.142
   18    H    CYS   4           HN       CYS   4   3.922  -2.382   1.763
   19    HA   CYS   4           HA       CYS   4   5.991  -1.657  -0.028
   20    HB2  CYS   4           HB2      CYS   4   3.908  -0.324   0.416
   21    HB3  CYS   4           HB1      CYS   4   4.585   0.117   1.979
   22    H    ASN   5           HN       ASN   5   8.021  -2.140   0.526
   23    HA   ASN   5           HA       ASN   5   8.951  -1.359   3.212
   24    HB2  ASN   5           HB2      ASN   5   9.812  -3.557   1.349
   25    HB3  ASN   5           HB1      ASN   5  10.904  -2.955   2.591
   26   HD21  ASN   5          HD21      ASN   5   7.923  -4.645   1.965
   27   HD22  ASN   5          HD22      ASN   5   7.742  -5.306   3.552
   28    H    GLY   6           HN       GLY   6   8.760   0.041   0.431
   29    HA2  GLY   6           HA2      GLY   6  10.065   2.087   0.184
   30    HA3  GLY   6           HA1      GLY   6  11.487   1.141   0.583
   31    HA   PRO   7           HA       PRO   7  11.026   1.871  -4.022
   32    HB2  PRO   7           HB2      PRO   7  13.769   2.067  -4.388
   33    HB3  PRO   7           HB1      PRO   7  12.664   3.422  -4.156
   34    HG2  PRO   7           HG2      PRO   7  14.441   2.068  -2.187
   35    HG3  PRO   7           HG1      PRO   7  14.027   3.784  -2.333
   36    HD2  PRO   7           HD2      PRO   7  12.933   2.213  -0.449
   37    HD3  PRO   7           HD1      PRO   7  12.017   3.522  -1.221
   38    H    TRP   8           HN       TRP   8  13.187  -0.270  -2.248
   39    HA   TRP   8           HA       TRP   8  13.814  -1.904  -4.513
   40    HB2  TRP   8           HB2      TRP   8  14.989  -3.313  -2.982
   41    HB3  TRP   8           HB1      TRP   8  15.264  -1.652  -2.473
   42    HD1  TRP   8           HD1      TRP   8  13.076  -0.951  -0.538
   43    HE1  TRP   8           HE1      TRP   8  12.616  -2.271   1.620
   44    HE3  TRP   8           HE3      TRP   8  15.289  -5.375  -1.817
   45    HZ2  TRP   8           HZ2      TRP   8  13.126  -4.855   2.642
   46    HZ3  TRP   8           HZ3      TRP   8  15.261  -7.221  -0.191
   47    HH2  TRP   8           HH2      TRP   8  14.201  -6.964   1.990
   48    H    ASN   9           HN       ASN   9  11.106  -1.657  -2.512
   49    HA   ASN   9           HA       ASN   9   9.751  -3.804  -3.785
   50    HB2  ASN   9           HB2      ASN   9  11.164  -5.044  -2.087
   51    HB3  ASN   9           HB1      ASN   9  10.267  -4.200  -0.829
   52   HD21  ASN   9          HD21      ASN   9   8.049  -4.696  -0.536
   53   HD22  ASN   9          HD22      ASN   9   7.372  -6.166  -1.148
   54    H    GLU  10           HN       GLU  10   8.567  -1.773  -4.119
   55    HA   GLU  10           HA       GLU  10   7.262  -0.560  -1.862
   56    HB2  GLU  10           HB2      GLU  10   6.729  -0.198  -4.817
   57    HB3  GLU  10           HB1      GLU  10   6.076   0.801  -3.528
   58    HG2  GLU  10           HG2      GLU  10   8.399   1.440  -2.922
   59    HG3  GLU  10           HG1      GLU  10   8.959   0.545  -4.336
   60    H    ASP  11           HN       ASP  11   6.609  -3.079  -4.099
   61    HA   ASP  11           HA       ASP  11   4.931  -4.590  -4.315
   62    HB2  ASP  11           HB2      ASP  11   5.364  -4.574  -1.758
   63    HB3  ASP  11           HB1      ASP  11   3.870  -3.656  -1.658
   64    H    ASP  12           HN       ASP  12   2.262  -4.524  -3.541
   65    HA   ASP  12           HA       ASP  12   0.969  -2.068  -4.067
   66    HB2  ASP  12           HB2      ASP  12   1.807  -2.412  -6.346
   67    HB3  ASP  12           HB1      ASP  12   1.109  -4.028  -6.367
   68    H    LEU  13           HN       LEU  13   0.824  -5.575  -4.452
   69    HA   LEU  13           HA       LEU  13  -1.952  -5.871  -4.183
   70    HB2  LEU  13           HB2      LEU  13   0.136  -7.486  -4.784
   71    HB3  LEU  13           HB1      LEU  13  -0.198  -8.003  -3.154
   72    HG   LEU  13           HG       LEU  13  -1.370  -9.482  -4.592
   73   HD11  LEU  13          HD11      LEU  13  -2.649  -8.791  -2.641
   74   HD12  LEU  13          HD12      LEU  13  -3.698  -9.148  -4.011
   75   HD13  LEU  13          HD13      LEU  13  -3.362  -7.474  -3.571
   76   HD21  LEU  13          HD21      LEU  13  -1.292  -8.072  -6.601
   77   HD22  LEU  13          HD22      LEU  13  -2.584  -7.074  -5.933
   78   HD23  LEU  13          HD23      LEU  13  -2.890  -8.763  -6.331
   79    H    ARG  14           HN       ARG  14   0.698  -6.129  -1.825
   80    HA   ARG  14           HA       ARG  14  -0.910  -6.824   0.381
   81    HB2  ARG  14           HB2      ARG  14   1.862  -5.849  -0.021
   82    HB3  ARG  14           HB1      ARG  14   1.184  -5.681   1.591
   83    HG2  ARG  14           HG2      ARG  14   2.501  -7.762   1.182
   84    HG3  ARG  14           HG1      ARG  14   0.881  -8.016   1.813
   85    HD2  ARG  14           HD2      ARG  14   1.332  -9.638   0.094
   86    HD3  ARG  14           HD1      ARG  14   0.113  -8.506  -0.487
   87    HE   ARG  14           HE       ARG  14   2.544  -7.521  -1.356
   88   HH11  ARG  14          HH11      ARG  14   0.696 -10.464  -1.787
   89   HH12  ARG  14          HH12      ARG  14   1.301 -10.760  -3.385
   90   HH21  ARG  14          HH21      ARG  14   3.354  -7.909  -3.435
   91   HH22  ARG  14          HH22      ARG  14   2.813  -9.298  -4.333
   92    H    CYS  15           HN       CYS  15   0.320  -3.642  -0.663
   93    HA   CYS  15           HA       CYS  15  -0.852  -2.081   1.311
   94    HB2  CYS  15           HB2      CYS  15  -0.338  -1.499  -1.610
   95    HB3  CYS  15           HB1      CYS  15  -0.776  -0.291  -0.433
   96    H    HIS  16           HN       HIS  16  -2.085  -3.176  -1.811
   97    HA   HIS  16           HA       HIS  16  -4.612  -1.978  -1.729
   98    HB2  HIS  16           HB2      HIS  16  -3.788  -2.852  -3.789
   99    HB3  HIS  16           HB1      HIS  16  -3.560  -4.448  -3.103
  100    HD1  HIS  16           HD1      HIS  16  -6.366  -2.113  -4.134
  101    HD2  HIS  16           HD2      HIS  16  -5.639  -6.152  -3.471
  102    HE1  HIS  16           HE1      HIS  16  -8.480  -3.302  -4.801
  103    HE2  HIS  16           HE2      HIS  16  -7.933  -5.754  -4.597
  104    H    ASN  17           HN       ASN  17  -3.549  -5.188  -0.658
  105    HA   ASN  17           HA       ASN  17  -6.002  -6.252   0.071
  106    HB2  ASN  17           HB2      ASN  17  -3.225  -6.718   1.124
  107    HB3  ASN  17           HB1      ASN  17  -4.608  -7.600   1.747
  108   HD21  ASN  17          HD21      ASN  17  -2.346  -8.697   0.420
  109   HD22  ASN  17          HD22      ASN  17  -2.913  -9.463  -1.027
  110    H    HIS  18           HN       HIS  18  -3.688  -4.497   2.117
  111    HA   HIS  18           HA       HIS  18  -5.150  -4.637   4.489
  112    HB2  HIS  18           HB2      HIS  18  -2.847  -3.972   4.546
  113    HB3  HIS  18           HB1      HIS  18  -3.162  -2.584   3.515
  114    HD1  HIS  18           HD1      HIS  18  -4.311  -3.815   6.946
  115    HD2  HIS  18           HD2      HIS  18  -3.393  -0.308   4.911
  116    HE1  HIS  18           HE1      HIS  18  -4.530  -1.972   8.642
  117    HE2  HIS  18           HE2      HIS  18  -4.143   0.151   7.347
  118    H    CYS  19           HN       CYS  19  -5.259  -2.228   1.902
  119    HA   CYS  19           HA       CYS  19  -7.028  -0.526   3.388
  120    HB2  CYS  19           HB2      CYS  19  -6.206  -0.415   0.483
  121    HB3  CYS  19           HB1      CYS  19  -7.064   0.852   1.355
  122    H    LYS  20           HN       LYS  20  -7.452  -3.080   1.006
  123    HA   LYS  20           HA       LYS  20 -10.194  -2.317   0.484
  124    HB2  LYS  20           HB2      LYS  20 -10.348  -4.227  -0.943
  125    HB3  LYS  20           HB1      LYS  20  -8.788  -3.473  -1.235
  126    HG2  LYS  20           HG2      LYS  20  -7.640  -5.171  -0.086
  127    HG3  LYS  20           HG1      LYS  20  -9.126  -5.812   0.616
  128    HD2  LYS  20           HD2      LYS  20  -9.882  -6.384  -1.692
  129    HD3  LYS  20           HD1      LYS  20  -8.295  -5.887  -2.283
  130    HE2  LYS  20           HE2      LYS  20  -8.421  -8.312  -1.996
  131    HE3  LYS  20           HE1      LYS  20  -7.233  -7.596  -0.909
  132    HZ1  LYS  20           HZ1      LYS  20  -8.781  -7.764   0.899
  133    HZ2  LYS  20           HZ2      LYS  20  -8.640  -9.279   0.166
  134    HZ3  LYS  20           HZ3      LYS  20 -10.004  -8.323  -0.128
  135    H    SER  21           HN       SER  21  -8.577  -4.010   2.913
  136    HA   SER  21           HA       SER  21 -10.735  -5.725   3.692
  137    HB2  SER  21           HB2      SER  21  -8.364  -6.142   4.339
  138    HB3  SER  21           HB1      SER  21  -8.406  -4.693   5.340
  139    HG   SER  21           HG       SER  21 -10.165  -6.899   5.665
  140    H    ILE  22           HN       ILE  22  -9.964  -2.420   4.011
  141    HA   ILE  22           HA       ILE  22 -11.864  -1.964   6.179
  142    HB   ILE  22           HB       ILE  22 -10.143   0.071   4.754
  143   HG12  ILE  22          HG12      ILE  22  -9.493  -1.364   7.335
  144   HG13  ILE  22          HG11      ILE  22  -8.775  -1.761   5.779
  145   HG21  ILE  22          HG21      ILE  22 -11.491   0.114   7.453
  146   HG22  ILE  22          HG22      ILE  22 -12.019   0.986   6.013
  147   HG23  ILE  22          HG23      ILE  22 -10.486   1.400   6.781
  148   HD11  ILE  22          HD11      ILE  22  -8.537   0.880   7.203
  149   HD12  ILE  22          HD12      ILE  22  -7.797   0.464   5.657
  150   HD13  ILE  22          HD13      ILE  22  -7.300  -0.375   7.127
  151    H    LYS  23           HN       LYS  23 -13.825  -0.984   5.799
  152    HA   LYS  23           HA       LYS  23 -14.602  -0.679   3.040
  153    HB2  LYS  23           HB2      LYS  23 -16.237  -1.731   4.373
  154    HB3  LYS  23           HB1      LYS  23 -16.143  -0.495   5.622
  155    HG2  LYS  23           HG2      LYS  23 -17.243   1.063   4.261
  156    HG3  LYS  23           HG1      LYS  23 -17.064   0.057   2.825
  157    HD2  LYS  23           HD2      LYS  23 -18.452  -1.670   4.174
  158    HD3  LYS  23           HD1      LYS  23 -18.916  -0.274   5.152
  159    HE2  LYS  23           HE2      LYS  23 -19.734   0.869   3.188
  160    HE3  LYS  23           HE1      LYS  23 -19.186  -0.456   2.165
  161    HZ1  LYS  23           HZ1      LYS  23 -21.585  -0.506   2.640
  162    HZ2  LYS  23           HZ2      LYS  23 -21.246  -0.722   4.281
  163    HZ3  LYS  23           HZ3      LYS  23 -20.786  -1.902   3.161
  164    H    GLY  24           HN       GLY  24 -14.935   1.131   1.984
  165    HA2  GLY  24           HA2      GLY  24 -15.387   3.546   1.991
  166    HA3  GLY  24           HA1      GLY  24 -14.346   3.652   3.406
  167    H    TYR  25           HN       TYR  25 -12.662   1.516   1.949
  168    HA   TYR  25           HA       TYR  25 -11.293   3.357   0.102
  169    HB2  TYR  25           HB2      TYR  25 -10.016   1.334   1.957
  170    HB3  TYR  25           HB1      TYR  25  -9.158   2.357   0.808
  171    HD1  TYR  25           HD1      TYR  25 -10.322   2.069   4.144
  172    HD2  TYR  25           HD2      TYR  25  -9.469   4.918   1.105
  173    HE1  TYR  25           HE1      TYR  25 -10.155   3.832   5.849
  174    HE2  TYR  25           HE2      TYR  25  -9.297   6.686   2.801
  175    HH   TYR  25           HH       TYR  25 -10.164   7.111   5.108
  176    H    LYS  26           HN       LYS  26 -10.185   2.369  -1.686
  177    HA   LYS  26           HA       LYS  26 -11.077  -0.375  -2.252
  178    HB2  LYS  26           HB2      LYS  26 -11.497   0.348  -4.620
  179    HB3  LYS  26           HB1      LYS  26 -12.642   0.958  -3.436
  180    HG2  LYS  26           HG2      LYS  26 -12.304   2.924  -4.437
  181    HG3  LYS  26           HG1      LYS  26 -10.801   2.965  -3.516
  182    HD2  LYS  26           HD2      LYS  26 -10.305   3.461  -5.813
  183    HD3  LYS  26           HD1      LYS  26  -9.670   1.860  -5.427
  184    HE2  LYS  26           HE2      LYS  26 -11.568   0.810  -6.504
  185    HE3  LYS  26           HE1      LYS  26 -12.299   2.383  -6.807
  186    HZ1  LYS  26           HZ1      LYS  26 -10.515   2.928  -8.291
  187    HZ2  LYS  26           HZ2      LYS  26 -11.170   1.443  -8.757
  188    HZ3  LYS  26           HZ3      LYS  26  -9.697   1.492  -7.928
  189    H    GLY  27           HN       GLY  27  -8.461   1.032  -1.520
  190    HA2  GLY  27           HA2      GLY  27  -6.761  -0.763  -2.708
  191    HA3  GLY  27           HA1      GLY  27  -6.786   0.613  -3.799
  192    H    GLY  28           HN       GLY  28  -4.431  -0.038  -2.800
  193    HA2  GLY  28           HA2      GLY  28  -3.825   2.252  -1.102
  194    HA3  GLY  28           HA1      GLY  28  -3.377   0.669  -0.477
  195    H    TYR  29           HN       TYR  29  -1.678   2.956  -1.255
  196    HA   TYR  29           HA       TYR  29   0.234   1.469  -2.843
  197    HB2  TYR  29           HB2      TYR  29   0.446   3.039  -4.633
  198    HB3  TYR  29           HB1      TYR  29  -1.263   2.649  -4.511
  199    HD1  TYR  29           HD1      TYR  29  -2.541   4.328  -2.770
  200    HD2  TYR  29           HD2      TYR  29   0.943   5.241  -5.032
  201    HE1  TYR  29           HE1      TYR  29  -3.060   6.721  -2.593
  202    HE2  TYR  29           HE2      TYR  29   0.431   7.640  -4.860
  203    HH   TYR  29           HH       TYR  29  -1.537   9.083  -4.480
  204    H    CYS  30           HN       CYS  30   2.354   2.418  -2.773
  205    HA   CYS  30           HA       CYS  30   2.955   3.723  -0.335
  206    HB2  CYS  30           HB2      CYS  30   4.746   3.545  -2.765
  207    HB3  CYS  30           HB1      CYS  30   5.242   3.762  -1.091
  208    H    ALA  31           HN       ALA  31   2.654   5.793   0.141
  209    HA   ALA  31           HA       ALA  31   3.072   7.791  -1.975
  210    HB1  ALA  31           HB1      ALA  31   0.662   7.389  -1.773
  211    HB2  ALA  31           HB2      ALA  31   1.100   9.024  -1.278
  212    HB3  ALA  31           HB3      ALA  31   0.745   7.800  -0.061
  213    H    LYS  32           HN       LYS  32   2.017   7.957   1.420
  214    HA   LYS  32           HA       LYS  32   3.520  10.221   2.006
  215    HB2  LYS  32           HB2      LYS  32   2.525   8.144   3.959
  216    HB3  LYS  32           HB1      LYS  32   2.975   9.797   4.343
  217    HG2  LYS  32           HG2      LYS  32   0.689   8.993   2.554
  218    HG3  LYS  32           HG1      LYS  32   0.547   9.467   4.246
  219    HD2  LYS  32           HD2      LYS  32   1.716  11.239   2.108
  220    HD3  LYS  32           HD1      LYS  32   0.021  11.272   2.587
  221    HE2  LYS  32           HE2      LYS  32   2.362  11.779   4.423
  222    HE3  LYS  32           HE1      LYS  32   1.351  13.023   3.692
  223    HZ1  LYS  32           HZ1      LYS  32   0.643  12.584   5.938
  224    HZ2  LYS  32           HZ2      LYS  32   0.447  10.939   5.606
  225    HZ3  LYS  32           HZ3      LYS  32  -0.560  12.077   4.864
  226    H    GLY  33           HN       GLY  33   5.660  10.367   1.992
  227    HA2  GLY  33           HA2      GLY  33   7.845   9.978   2.617
  228    HA3  GLY  33           HA1      GLY  33   7.271   8.688   3.662
  229    H    GLY  34           HN       GLY  34   5.918   7.869   0.876
  230    HA2  GLY  34           HA2      GLY  34   6.481   6.499  -0.902
  231    HA3  GLY  34           HA1      GLY  34   8.176   6.753  -0.524
  232    H    PHE  35           HN       PHE  35   6.601   5.843   2.263
  233    HA   PHE  35           HA       PHE  35   7.239   3.000   1.806
  234    HB2  PHE  35           HB2      PHE  35   7.856   4.747   4.188
  235    HB3  PHE  35           HB1      PHE  35   7.816   2.995   4.315
  236    HD1  PHE  35           HD1      PHE  35   9.396   5.689   2.274
  237    HD2  PHE  35           HD2      PHE  35   9.758   1.815   3.993
  238    HE1  PHE  35           HE1      PHE  35  11.737   5.583   1.530
  239    HE2  PHE  35           HE2      PHE  35  12.101   1.703   3.249
  240    HZ   PHE  35           HZ       PHE  35  13.092   3.587   2.016
  241    H    VAL  36           HN       VAL  36   4.844   5.184   2.569
  242    HA   VAL  36           HA       VAL  36   3.366   3.280   4.242
  243    HB   VAL  36           HB       VAL  36   2.898   6.218   3.730
  244   HG11  VAL  36          HG11      VAL  36   1.309   4.313   5.446
  245   HG12  VAL  36          HG12      VAL  36   0.757   5.083   3.958
  246   HG13  VAL  36          HG13      VAL  36   1.094   6.063   5.386
  247   HG21  VAL  36          HG21      VAL  36   3.741   4.714   6.201
  248   HG22  VAL  36          HG22      VAL  36   3.385   6.438   6.128
  249   HG23  VAL  36          HG23      VAL  36   4.751   5.782   5.226
  250    H    CYS  37           HN       CYS  37   1.931   2.017   3.263
  251    HA   CYS  37           HA       CYS  37   0.845   2.481   0.694
  252    HB2  CYS  37           HB2      CYS  37  -0.243   0.725   2.904
  253    HB3  CYS  37           HB1      CYS  37  -0.573   0.587   1.196
  254    H    LYS  38           HN       LYS  38  -0.182   4.492   0.606
  255    HA   LYS  38           HA       LYS  38  -2.106   5.305   2.572
  256    HB2  LYS  38           HB2      LYS  38  -0.891   6.950   1.179
  257    HB3  LYS  38           HB1      LYS  38  -1.719   6.342  -0.246
  258    HG2  LYS  38           HG2      LYS  38  -3.855   6.892   1.233
  259    HG3  LYS  38           HG1      LYS  38  -2.732   8.033   1.970
  260    HD2  LYS  38           HD2      LYS  38  -3.286   7.846  -0.983
  261    HD3  LYS  38           HD1      LYS  38  -4.073   8.986   0.105
  262    HE2  LYS  38           HE2      LYS  38  -1.951  10.018   0.618
  263    HE3  LYS  38           HE1      LYS  38  -1.099   8.818  -0.352
  264    HZ1  LYS  38           HZ1      LYS  38  -3.116  10.701  -1.444
  265    HZ2  LYS  38           HZ2      LYS  38  -2.114   9.659  -2.325
  266    HZ3  LYS  38           HZ3      LYS  38  -1.447  10.973  -1.490
  267    H    CYS  39           HN       CYS  39  -4.273   5.121   2.522
  268    HA   CYS  39           HA       CYS  39  -5.355   3.236   0.556
  269    HB2  CYS  39           HB2      CYS  39  -6.535   4.136   3.193
  270    HB3  CYS  39           HB1      CYS  39  -7.166   2.867   2.150
  271    H    TYR  40           HN       TYR  40  -6.918   3.809  -0.833
  272    HA   TYR  40           HA       TYR  40  -8.067   6.499  -0.559
  273    HB2  TYR  40           HB2      TYR  40  -8.079   6.570  -3.099
  274    HB3  TYR  40           HB1      TYR  40  -6.504   6.718  -2.334
  275    HD1  TYR  40           HD1      TYR  40  -4.782   5.162  -2.802
  276    HD2  TYR  40           HD2      TYR  40  -8.740   4.388  -4.150
  277    HE1  TYR  40           HE1      TYR  40  -3.945   3.314  -4.175
  278    HE2  TYR  40           HE2      TYR  40  -7.910   2.529  -5.530
  279    HH   TYR  40           HH       TYR  40  -4.818   1.219  -5.182
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   6.467  -2.254   4.906
    2    H2   GLY   1           HT2      GLY   1   6.894  -3.394   6.081
    3    H3   GLY   1           HT3      GLY   1   7.188  -1.752   6.352
    4    HA2  GLY   1           HA1      GLY   1   5.279  -2.405   7.619
    5    HA3  GLY   1           HA2      GLY   1   4.798  -1.315   6.331
    6    H    PHE   2           HN       PHE   2   3.003  -1.919   5.364
    7    HA   PHE   2           HA       PHE   2   2.018  -4.605   5.556
    8    HB2  PHE   2           HB2      PHE   2   0.827  -2.206   4.149
    9    HB3  PHE   2           HB1      PHE   2   0.002  -3.729   4.461
   10    HD1  PHE   2           HD1      PHE   2   0.004  -4.443   7.015
   11    HD2  PHE   2           HD2      PHE   2   0.450  -0.463   5.583
   12    HE1  PHE   2           HE1      PHE   2  -0.778  -3.581   9.183
   13    HE2  PHE   2           HE2      PHE   2  -0.330   0.407   7.746
   14    HZ   PHE   2           HZ       PHE   2  -0.913  -1.158   9.564
   15    H    GLY   3           HN       GLY   3   3.988  -5.276   4.342
   16    HA2  GLY   3           HA2      GLY   3   4.641  -6.447   2.435
   17    HA3  GLY   3           HA1      GLY   3   3.339  -5.665   1.542
   18    H    CYS   4           HN       CYS   4   3.782  -3.064   1.912
   19    HA   CYS   4           HA       CYS   4   5.955  -2.522   0.167
   20    HB2  CYS   4           HB2      CYS   4   3.844  -1.197   0.249
   21    HB3  CYS   4           HB1      CYS   4   4.332  -0.581   1.824
   22    H    ASN   5           HN       ASN   5   8.016  -2.097   0.637
   23    HA   ASN   5           HA       ASN   5   8.689  -1.144   3.329
   24    HB2  ASN   5           HB2      ASN   5   9.888  -3.532   1.935
   25    HB3  ASN   5           HB1      ASN   5  10.742  -2.675   3.213
   26   HD21  ASN   5          HD21      ASN   5   8.093  -4.776   2.438
   27   HD22  ASN   5          HD22      ASN   5   7.691  -5.199   4.066
   28    H    GLY   6           HN       GLY   6   8.472   0.246   0.836
   29    HA2  GLY   6           HA2      GLY   6   9.959   2.204   0.586
   30    HA3  GLY   6           HA1      GLY   6  11.292   1.061   0.523
   31    HA   PRO   7           HA       PRO   7   9.556   2.393  -3.758
   32    HB2  PRO   7           HB2      PRO   7  12.402   2.960  -4.213
   33    HB3  PRO   7           HB1      PRO   7  10.992   3.958  -4.569
   34    HG2  PRO   7           HG2      PRO   7  12.762   4.426  -2.534
   35    HG3  PRO   7           HG1      PRO   7  11.090   5.011  -2.557
   36    HD2  PRO   7           HD2      PRO   7  12.327   2.899  -0.943
   37    HD3  PRO   7           HD1      PRO   7  10.815   3.786  -0.675
   38    H    TRP   8           HN       TRP   8  12.492   0.803  -2.706
   39    HA   TRP   8           HA       TRP   8  13.040  -0.657  -5.055
   40    HB2  TRP   8           HB2      TRP   8  13.869  -1.958  -2.567
   41    HB3  TRP   8           HB1      TRP   8  14.848  -1.361  -3.902
   42    HD1  TRP   8           HD1      TRP   8  13.352  -0.261  -0.563
   43    HE1  TRP   8           HE1      TRP   8  14.545   1.880   0.217
   44    HE3  TRP   8           HE3      TRP   8  16.138   0.673  -4.740
   45    HZ2  TRP   8           HZ2      TRP   8  16.425   3.722  -0.809
   46    HZ3  TRP   8           HZ3      TRP   8  17.608   2.644  -4.763
   47    HH2  TRP   8           HH2      TRP   8  17.749   4.137  -2.836
   48    H    ASN   9           HN       ASN   9  10.847  -1.190  -2.429
   49    HA   ASN   9           HA       ASN   9   9.970  -3.684  -3.676
   50    HB2  ASN   9           HB2      ASN   9  11.540  -4.242  -1.803
   51    HB3  ASN   9           HB1      ASN   9  10.436  -3.431  -0.695
   52   HD21  ASN   9          HD21      ASN   9  10.000  -5.287   0.476
   53   HD22  ASN   9          HD22      ASN   9   9.051  -6.585  -0.156
   54    H    GLU  10           HN       GLU  10   8.467  -1.860  -4.328
   55    HA   GLU  10           HA       GLU  10   6.569  -1.019  -2.312
   56    HB2  GLU  10           HB2      GLU  10   6.599  -0.585  -5.305
   57    HB3  GLU  10           HB1      GLU  10   5.441   0.131  -4.196
   58    HG2  GLU  10           HG2      GLU  10   7.232   1.359  -3.095
   59    HG3  GLU  10           HG1      GLU  10   8.409   0.609  -4.176
   60    H    ASP  11           HN       ASP  11   5.885  -3.218  -1.752
   61    HA   ASP  11           HA       ASP  11   4.464  -4.835  -3.582
   62    HB2  ASP  11           HB2      ASP  11   4.796  -4.750  -0.651
   63    HB3  ASP  11           HB1      ASP  11   3.308  -5.495  -1.225
   64    H    ASP  12           HN       ASP  12   3.072  -3.645  -4.760
   65    HA   ASP  12           HA       ASP  12   1.338  -1.683  -3.686
   66    HB2  ASP  12           HB2      ASP  12   2.139  -1.673  -6.026
   67    HB3  ASP  12           HB1      ASP  12   1.174  -3.111  -6.348
   68    H    LEU  13           HN       LEU  13   0.941  -5.098  -4.461
   69    HA   LEU  13           HA       LEU  13  -1.906  -5.045  -4.309
   70    HB2  LEU  13           HB2      LEU  13  -0.048  -6.779  -5.284
   71    HB3  LEU  13           HB1      LEU  13  -0.533  -7.587  -3.816
   72    HG   LEU  13           HG       LEU  13  -1.858  -8.451  -5.627
   73   HD11  LEU  13          HD11      LEU  13  -3.522  -6.559  -3.990
   74   HD12  LEU  13          HD12      LEU  13  -3.023  -8.181  -3.517
   75   HD13  LEU  13          HD13      LEU  13  -4.115  -7.960  -4.883
   76   HD21  LEU  13          HD21      LEU  13  -2.697  -5.610  -6.176
   77   HD22  LEU  13          HD22      LEU  13  -3.267  -7.050  -7.018
   78   HD23  LEU  13          HD23      LEU  13  -1.581  -6.555  -7.162
   79    H    ARG  14           HN       ARG  14   0.710  -5.985  -2.117
   80    HA   ARG  14           HA       ARG  14  -0.801  -6.897   0.041
   81    HB2  ARG  14           HB2      ARG  14   1.790  -5.331   0.026
   82    HB3  ARG  14           HB1      ARG  14   1.098  -6.049   1.466
   83    HG2  ARG  14           HG2      ARG  14   1.773  -7.649  -0.985
   84    HG3  ARG  14           HG1      ARG  14   2.911  -7.378   0.338
   85    HD2  ARG  14           HD2      ARG  14   0.190  -8.642   0.611
   86    HD3  ARG  14           HD1      ARG  14   1.715  -9.525   0.531
   87    HE   ARG  14           HE       ARG  14   2.213  -7.964   2.591
   88   HH11  ARG  14          HH11      ARG  14  -0.708  -9.744   1.851
   89   HH12  ARG  14          HH12      ARG  14  -1.162  -9.937   3.513
   90   HH21  ARG  14          HH21      ARG  14   1.615  -8.203   4.777
   91   HH22  ARG  14          HH22      ARG  14   0.155  -9.050   5.177
   92    H    CYS  15           HN       CYS  15   0.376  -3.581  -0.493
   93    HA   CYS  15           HA       CYS  15  -1.074  -2.369   1.578
   94    HB2  CYS  15           HB2      CYS  15   0.794  -1.287   0.359
   95    HB3  CYS  15           HB1      CYS  15  -0.231  -1.148  -1.064
   96    H    HIS  16           HN       HIS  16  -1.904  -2.916  -1.824
   97    HA   HIS  16           HA       HIS  16  -4.386  -1.656  -1.916
   98    HB2  HIS  16           HB2      HIS  16  -3.105  -2.618  -3.855
   99    HB3  HIS  16           HB1      HIS  16  -3.613  -4.216  -3.335
  100    HD1  HIS  16           HD1      HIS  16  -4.940  -1.062  -4.911
  101    HD2  HIS  16           HD2      HIS  16  -6.164  -4.952  -4.092
  102    HE1  HIS  16           HE1      HIS  16  -7.118  -1.361  -6.130
  103    HE2  HIS  16           HE2      HIS  16  -7.754  -3.763  -5.752
  104    H    ASN  17           HN       ASN  17  -3.585  -5.000  -1.053
  105    HA   ASN  17           HA       ASN  17  -6.198  -5.883  -0.518
  106    HB2  ASN  17           HB2      ASN  17  -3.464  -6.821   0.314
  107    HB3  ASN  17           HB1      ASN  17  -4.903  -7.609   0.932
  108   HD21  ASN  17          HD21      ASN  17  -2.846  -8.736  -0.733
  109   HD22  ASN  17          HD22      ASN  17  -3.603  -9.230  -2.210
  110    H    HIS  18           HN       HIS  18  -3.724  -4.451   1.548
  111    HA   HIS  18           HA       HIS  18  -5.031  -4.709   4.006
  112    HB2  HIS  18           HB2      HIS  18  -2.727  -4.085   4.007
  113    HB3  HIS  18           HB1      HIS  18  -3.032  -2.686   2.992
  114    HD1  HIS  18           HD1      HIS  18  -3.872  -3.900   6.512
  115    HD2  HIS  18           HD2      HIS  18  -3.302  -0.390   4.363
  116    HE1  HIS  18           HE1      HIS  18  -4.017  -2.039   8.200
  117    HE2  HIS  18           HE2      HIS  18  -3.526   0.062   6.896
  118    H    CYS  19           HN       CYS  19  -5.181  -2.137   1.584
  119    HA   CYS  19           HA       CYS  19  -6.945  -0.549   3.191
  120    HB2  CYS  19           HB2      CYS  19  -6.120  -0.273   0.304
  121    HB3  CYS  19           HB1      CYS  19  -7.044   0.921   1.210
  122    H    LYS  20           HN       LYS  20  -7.356  -2.976   0.709
  123    HA   LYS  20           HA       LYS  20 -10.087  -2.454   0.166
  124    HB2  LYS  20           HB2      LYS  20  -8.427  -4.953  -0.022
  125    HB3  LYS  20           HB1      LYS  20 -10.143  -4.955  -0.395
  126    HG2  LYS  20           HG2      LYS  20  -9.745  -3.248  -2.119
  127    HG3  LYS  20           HG1      LYS  20  -8.022  -3.323  -1.767
  128    HD2  LYS  20           HD2      LYS  20  -8.488  -4.670  -3.702
  129    HD3  LYS  20           HD1      LYS  20  -8.044  -5.725  -2.359
  130    HE2  LYS  20           HE2      LYS  20 -10.372  -6.246  -1.953
  131    HE3  LYS  20           HE1      LYS  20 -10.866  -5.104  -3.202
  132    HZ1  LYS  20           HZ1      LYS  20  -9.239  -7.543  -3.674
  133    HZ2  LYS  20           HZ2      LYS  20  -9.807  -6.479  -4.858
  134    HZ3  LYS  20           HZ3      LYS  20 -10.899  -7.413  -3.969
  135    H    SER  21           HN       SER  21  -8.410  -4.159   2.700
  136    HA   SER  21           HA       SER  21 -10.649  -5.400   3.892
  137    HB2  SER  21           HB2      SER  21  -8.258  -5.995   4.334
  138    HB3  SER  21           HB1      SER  21  -8.089  -4.488   5.230
  139    HG   SER  21           HG       SER  21 -10.215  -5.711   6.195
  140    H    ILE  22           HN       ILE  22  -9.368  -2.175   3.985
  141    HA   ILE  22           HA       ILE  22 -10.998  -1.377   6.246
  142    HB   ILE  22           HB       ILE  22  -9.406   0.389   4.380
  143   HG12  ILE  22          HG12      ILE  22  -8.565  -0.809   7.030
  144   HG13  ILE  22          HG11      ILE  22  -7.967  -1.315   5.455
  145   HG21  ILE  22          HG21      ILE  22 -11.095   1.566   5.679
  146   HG22  ILE  22          HG22      ILE  22  -9.478   1.979   6.253
  147   HG23  ILE  22          HG23      ILE  22 -10.476   0.846   7.165
  148   HD11  ILE  22          HD11      ILE  22  -7.598   1.399   6.700
  149   HD12  ILE  22          HD12      ILE  22  -7.010   0.906   5.113
  150   HD13  ILE  22          HD13      ILE  22  -6.376   0.132   6.566
  151    H    LYS  23           HN       LYS  23 -13.111  -1.123   5.915
  152    HA   LYS  23           HA       LYS  23 -14.357  -0.846   3.439
  153    HB2  LYS  23           HB2      LYS  23 -15.373  -1.567   5.666
  154    HB3  LYS  23           HB1      LYS  23 -15.504   0.147   6.031
  155    HG2  LYS  23           HG2      LYS  23 -16.956   0.499   4.160
  156    HG3  LYS  23           HG1      LYS  23 -16.726  -1.168   3.636
  157    HD2  LYS  23           HD2      LYS  23 -17.960  -0.361   6.263
  158    HD3  LYS  23           HD1      LYS  23 -18.878  -0.782   4.819
  159    HE2  LYS  23           HE2      LYS  23 -16.959  -2.586   6.294
  160    HE3  LYS  23           HE1      LYS  23 -18.718  -2.677   6.352
  161    HZ1  LYS  23           HZ1      LYS  23 -18.746  -3.187   3.998
  162    HZ2  LYS  23           HZ2      LYS  23 -17.776  -4.302   4.823
  163    HZ3  LYS  23           HZ3      LYS  23 -17.060  -3.067   3.918
  164    H    GLY  24           HN       GLY  24 -14.963   0.849   2.237
  165    HA2  GLY  24           HA2      GLY  24 -15.469   3.212   1.988
  166    HA3  GLY  24           HA1      GLY  24 -14.241   3.540   3.203
  167    H    TYR  25           HN       TYR  25 -12.317   1.681   2.154
  168    HA   TYR  25           HA       TYR  25 -11.432   3.249  -0.169
  169    HB2  TYR  25           HB2      TYR  25  -9.841   1.479   1.706
  170    HB3  TYR  25           HB1      TYR  25  -9.175   2.416   0.373
  171    HD1  TYR  25           HD1      TYR  25  -9.802   2.387   3.828
  172    HD2  TYR  25           HD2      TYR  25  -9.688   5.002   0.478
  173    HE1  TYR  25           HE1      TYR  25  -9.526   4.303   5.341
  174    HE2  TYR  25           HE2      TYR  25  -9.408   6.928   1.981
  175    HH   TYR  25           HH       TYR  25  -8.674   6.566   5.303
  176    H    LYS  26           HN       LYS  26 -10.240   2.057  -1.871
  177    HA   LYS  26           HA       LYS  26 -11.211  -0.717  -2.122
  178    HB2  LYS  26           HB2      LYS  26 -11.378  -0.337  -4.590
  179    HB3  LYS  26           HB1      LYS  26 -12.561   0.536  -3.633
  180    HG2  LYS  26           HG2      LYS  26 -10.042   1.923  -4.384
  181    HG3  LYS  26           HG1      LYS  26 -11.274   1.673  -5.620
  182    HD2  LYS  26           HD2      LYS  26 -12.927   2.761  -4.132
  183    HD3  LYS  26           HD1      LYS  26 -11.633   3.080  -2.975
  184    HE2  LYS  26           HE2      LYS  26 -12.121   5.037  -4.373
  185    HE3  LYS  26           HE1      LYS  26 -10.477   4.451  -4.611
  186    HZ1  LYS  26           HZ1      LYS  26 -11.536   5.003  -6.706
  187    HZ2  LYS  26           HZ2      LYS  26 -12.781   3.902  -6.401
  188    HZ3  LYS  26           HZ3      LYS  26 -11.201   3.348  -6.634
  189    H    GLY  27           HN       GLY  27  -8.544   1.026  -1.664
  190    HA2  GLY  27           HA2      GLY  27  -6.771  -1.035  -2.119
  191    HA3  GLY  27           HA1      GLY  27  -6.771  -0.088  -3.600
  192    H    GLY  28           HN       GLY  28  -4.419  -0.071  -2.654
  193    HA2  GLY  28           HA2      GLY  28  -4.036   2.567  -1.555
  194    HA3  GLY  28           HA1      GLY  28  -3.534   1.262  -0.491
  195    H    TYR  29           HN       TYR  29  -1.699   3.106  -1.347
  196    HA   TYR  29           HA       TYR  29   0.108   1.397  -2.841
  197    HB2  TYR  29           HB2      TYR  29   0.773   3.251  -4.383
  198    HB3  TYR  29           HB1      TYR  29  -0.842   2.623  -4.675
  199    HD1  TYR  29           HD1      TYR  29  -2.576   4.153  -4.976
  200    HD2  TYR  29           HD2      TYR  29   0.876   5.360  -2.805
  201    HE1  TYR  29           HE1      TYR  29  -3.482   6.432  -4.811
  202    HE2  TYR  29           HE2      TYR  29  -0.022   7.641  -2.634
  203    HH   TYR  29           HH       TYR  29  -3.212   8.408  -3.253
  204    H    CYS  30           HN       CYS  30   2.332   2.382  -2.924
  205    HA   CYS  30           HA       CYS  30   3.034   3.220  -0.270
  206    HB2  CYS  30           HB2      CYS  30   4.810   2.895  -2.699
  207    HB3  CYS  30           HB1      CYS  30   5.336   2.990  -1.023
  208    H    ALA  31           HN       ALA  31   2.425   5.260   0.148
  209    HA   ALA  31           HA       ALA  31   3.137   7.393  -1.736
  210    HB1  ALA  31           HB1      ALA  31   0.806   7.280  -0.946
  211    HB2  ALA  31           HB2      ALA  31   1.598   8.786  -0.485
  212    HB3  ALA  31           HB3      ALA  31   1.373   7.507   0.706
  213    H    LYS  32           HN       LYS  32   3.485   9.547  -0.288
  214    HA   LYS  32           HA       LYS  32   4.986  10.760   0.895
  215    HB2  LYS  32           HB2      LYS  32   4.618   8.410   2.734
  216    HB3  LYS  32           HB1      LYS  32   5.505   9.855   3.193
  217    HG2  LYS  32           HG2      LYS  32   2.623   9.836   2.322
  218    HG3  LYS  32           HG1      LYS  32   3.151   9.772   4.002
  219    HD2  LYS  32           HD2      LYS  32   3.819  11.991   2.066
  220    HD3  LYS  32           HD1      LYS  32   2.521  12.052   3.261
  221    HE2  LYS  32           HE2      LYS  32   4.181  11.750   5.049
  222    HE3  LYS  32           HE1      LYS  32   5.466  11.739   3.842
  223    HZ1  LYS  32           HZ1      LYS  32   3.633  14.000   4.414
  224    HZ2  LYS  32           HZ2      LYS  32   4.824  13.990   3.214
  225    HZ3  LYS  32           HZ3      LYS  32   5.266  13.903   4.844
  226    H    GLY  33           HN       GLY  33   6.210   9.558  -1.138
  227    HA2  GLY  33           HA2      GLY  33   8.496   9.483  -1.701
  228    HA3  GLY  33           HA1      GLY  33   8.873   9.081  -0.032
  229    H    GLY  34           HN       GLY  34   6.307   7.227  -1.006
  230    HA2  GLY  34           HA2      GLY  34   6.132   5.094  -1.925
  231    HA3  GLY  34           HA1      GLY  34   7.854   5.127  -2.271
  232    H    PHE  35           HN       PHE  35   6.162   5.625   0.808
  233    HA   PHE  35           HA       PHE  35   7.421   3.162   1.809
  234    HB2  PHE  35           HB2      PHE  35   7.480   5.857   3.183
  235    HB3  PHE  35           HB1      PHE  35   7.975   4.345   3.933
  236    HD1  PHE  35           HD1      PHE  35   8.929   7.058   1.779
  237    HD2  PHE  35           HD2      PHE  35   9.953   3.123   3.020
  238    HE1  PHE  35           HE1      PHE  35  11.199   7.373   0.888
  239    HE2  PHE  35           HE2      PHE  35  12.225   3.432   2.137
  240    HZ   PHE  35           HZ       PHE  35  12.861   5.561   1.093
  241    H    VAL  36           HN       VAL  36   5.034   5.709   2.427
  242    HA   VAL  36           HA       VAL  36   3.763   4.140   4.502
  243    HB   VAL  36           HB       VAL  36   2.971   6.811   3.325
  244   HG11  VAL  36          HG11      VAL  36   1.595   7.061   5.335
  245   HG12  VAL  36          HG12      VAL  36   2.024   5.424   5.830
  246   HG13  VAL  36          HG13      VAL  36   1.079   5.683   4.363
  247   HG21  VAL  36          HG21      VAL  36   4.477   6.149   5.853
  248   HG22  VAL  36          HG22      VAL  36   3.958   7.760   5.356
  249   HG23  VAL  36          HG23      VAL  36   5.155   6.886   4.401
  250    H    CYS  37           HN       CYS  37   2.069   2.846   4.245
  251    HA   CYS  37           HA       CYS  37   0.934   2.409   1.643
  252    HB2  CYS  37           HB2      CYS  37   1.308   0.531   3.158
  253    HB3  CYS  37           HB1      CYS  37   0.258   1.262   4.363
  254    H    LYS  38           HN       LYS  38  -0.187   4.251   1.033
  255    HA   LYS  38           HA       LYS  38  -2.249   5.269   2.845
  256    HB2  LYS  38           HB2      LYS  38  -0.649   6.789   1.512
  257    HB3  LYS  38           HB1      LYS  38  -1.636   6.382   0.122
  258    HG2  LYS  38           HG2      LYS  38  -3.624   7.205   1.362
  259    HG3  LYS  38           HG1      LYS  38  -2.544   7.742   2.647
  260    HD2  LYS  38           HD2      LYS  38  -3.084   9.600   1.209
  261    HD3  LYS  38           HD1      LYS  38  -1.380   9.185   1.017
  262    HE2  LYS  38           HE2      LYS  38  -1.853   8.018  -1.037
  263    HE3  LYS  38           HE1      LYS  38  -3.585   8.264  -0.818
  264    HZ1  LYS  38           HZ1      LYS  38  -2.618   9.819  -2.402
  265    HZ2  LYS  38           HZ2      LYS  38  -1.589  10.429  -1.206
  266    HZ3  LYS  38           HZ3      LYS  38  -3.265  10.627  -1.064
  267    H    CYS  39           HN       CYS  39  -4.401   5.372   2.265
  268    HA   CYS  39           HA       CYS  39  -5.142   3.289   0.329
  269    HB2  CYS  39           HB2      CYS  39  -6.665   4.281   2.743
  270    HB3  CYS  39           HB1      CYS  39  -7.143   2.953   1.694
  271    H    TYR  40           HN       TYR  40  -6.729   3.647  -1.173
  272    HA   TYR  40           HA       TYR  40  -7.853   6.359  -1.271
  273    HB2  TYR  40           HB2      TYR  40  -7.902   6.081  -3.784
  274    HB3  TYR  40           HB1      TYR  40  -6.306   6.274  -3.075
  275    HD1  TYR  40           HD1      TYR  40  -4.638   4.636  -3.404
  276    HD2  TYR  40           HD2      TYR  40  -8.656   3.787  -4.504
  277    HE1  TYR  40           HE1      TYR  40  -3.888   2.616  -4.584
  278    HE2  TYR  40           HE2      TYR  40  -7.916   1.768  -5.678
  279    HH   TYR  40           HH       TYR  40  -5.895   0.878  -6.711
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   5.809  -2.167   7.927
    2    H2   GLY   1           HT2      GLY   1   4.641  -1.414   8.885
    3    H3   GLY   1           HT3      GLY   1   5.772  -0.482   8.045
    4    HA2  GLY   1           HA1      GLY   1   3.626  -0.423   6.945
    5    HA3  GLY   1           HA2      GLY   1   4.853  -1.178   5.938
    6    H    PHE   2           HN       PHE   2   2.672  -1.936   4.988
    7    HA   PHE   2           HA       PHE   2   1.908  -4.420   6.324
    8    HB2  PHE   2           HB2      PHE   2   0.235  -2.695   4.496
    9    HB3  PHE   2           HB1      PHE   2  -0.282  -4.220   5.209
   10    HD1  PHE   2           HD1      PHE   2  -0.243  -4.367   7.776
   11    HD2  PHE   2           HD2      PHE   2  -0.147  -0.704   5.618
   12    HE1  PHE   2           HE1      PHE   2  -1.030  -3.173   9.775
   13    HE2  PHE   2           HE2      PHE   2  -0.935   0.495   7.617
   14    HZ   PHE   2           HZ       PHE   2  -1.375  -0.741   9.697
   15    H    GLY   3           HN       GLY   3   4.021  -3.726   4.262
   16    HA2  GLY   3           HA2      GLY   3   4.416  -5.991   2.958
   17    HA3  GLY   3           HA1      GLY   3   3.158  -5.278   1.958
   18    H    CYS   4           HN       CYS   4   4.080  -2.558   2.403
   19    HA   CYS   4           HA       CYS   4   6.137  -2.543   0.362
   20    HB2  CYS   4           HB2      CYS   4   4.074  -1.044   0.375
   21    HB3  CYS   4           HB1      CYS   4   4.853  -0.151   1.678
   22    H    ASN   5           HN       ASN   5   8.235  -1.926   0.648
   23    HA   ASN   5           HA       ASN   5   9.025  -1.183   3.397
   24    HB2  ASN   5           HB2      ASN   5  10.241  -3.160   1.501
   25    HB3  ASN   5           HB1      ASN   5  11.263  -2.340   2.673
   26   HD21  ASN   5          HD21      ASN   5   7.941  -3.128   3.399
   27   HD22  ASN   5          HD22      ASN   5   8.290  -4.397   4.518
   28    H    GLY   6           HN       GLY   6   8.743   0.047   0.412
   29    HA2  GLY   6           HA2      GLY   6   9.810   2.362   0.355
   30    HA3  GLY   6           HA1      GLY   6  11.319   1.469   0.483
   31    HA   PRO   7           HA       PRO   7   9.960   2.246  -4.025
   32    HB2  PRO   7           HB2      PRO   7  12.477   3.212  -4.709
   33    HB3  PRO   7           HB1      PRO   7  11.057   4.197  -4.360
   34    HG2  PRO   7           HG2      PRO   7  13.354   3.496  -2.601
   35    HG3  PRO   7           HG1      PRO   7  12.431   5.004  -2.697
   36    HD2  PRO   7           HD2      PRO   7  12.072   3.243  -0.700
   37    HD3  PRO   7           HD1      PRO   7  10.724   4.191  -1.360
   38    H    TRP   8           HN       TRP   8  12.790   0.902  -2.477
   39    HA   TRP   8           HA       TRP   8  13.696  -0.658  -4.670
   40    HB2  TRP   8           HB2      TRP   8  15.117  -1.774  -3.053
   41    HB3  TRP   8           HB1      TRP   8  15.107  -0.049  -2.709
   42    HD1  TRP   8           HD1      TRP   8  13.060   0.560  -0.711
   43    HE1  TRP   8           HE1      TRP   8  12.774  -0.637   1.544
   44    HE3  TRP   8           HE3      TRP   8  15.491  -3.795  -1.804
   45    HZ2  TRP   8           HZ2      TRP   8  13.486  -3.106   2.705
   46    HZ3  TRP   8           HZ3      TRP   8  15.644  -5.527  -0.065
   47    HH2  TRP   8           HH2      TRP   8  14.662  -5.187   2.143
   48    H    ASN   9           HN       ASN   9  11.207  -1.039  -2.322
   49    HA   ASN   9           HA       ASN   9  10.515  -3.664  -3.377
   50    HB2  ASN   9           HB2      ASN   9  12.023  -4.044  -1.422
   51    HB3  ASN   9           HB1      ASN   9  10.884  -3.163  -0.412
   52   HD21  ASN   9          HD21      ASN   9   8.941  -4.147   0.161
   53   HD22  ASN   9          HD22      ASN   9   8.652  -5.833  -0.074
   54    H    GLU  10           HN       GLU  10   8.935  -2.102  -4.255
   55    HA   GLU  10           HA       GLU  10   6.938  -1.133  -2.374
   56    HB2  GLU  10           HB2      GLU  10   7.275  -0.770  -5.351
   57    HB3  GLU  10           HB1      GLU  10   5.884  -0.171  -4.461
   58    HG2  GLU  10           HG2      GLU  10   7.301   1.256  -3.129
   59    HG3  GLU  10           HG1      GLU  10   8.737   0.602  -3.914
   60    H    ASP  11           HN       ASP  11   5.548  -2.594  -1.711
   61    HA   ASP  11           HA       ASP  11   4.410  -4.458  -3.671
   62    HB2  ASP  11           HB2      ASP  11   4.750  -4.606  -0.694
   63    HB3  ASP  11           HB1      ASP  11   3.501  -5.559  -1.488
   64    H    ASP  12           HN       ASP  12   3.200  -2.612  -4.461
   65    HA   ASP  12           HA       ASP  12   1.329  -1.183  -2.943
   66    HB2  ASP  12           HB2      ASP  12   1.181  -1.871  -5.889
   67    HB3  ASP  12           HB1      ASP  12   0.274  -0.600  -5.081
   68    H    LEU  13           HN       LEU  13   1.219  -4.340  -4.397
   69    HA   LEU  13           HA       LEU  13  -1.549  -4.771  -4.393
   70    HB2  LEU  13           HB2      LEU  13   0.626  -6.171  -5.186
   71    HB3  LEU  13           HB1      LEU  13   0.226  -7.030  -3.722
   72    HG   LEU  13           HG       LEU  13  -0.829  -8.205  -5.483
   73   HD11  LEU  13          HD11      LEU  13  -2.235  -7.914  -3.518
   74   HD12  LEU  13          HD12      LEU  13  -3.191  -8.023  -4.995
   75   HD13  LEU  13          HD13      LEU  13  -2.927  -6.457  -4.231
   76   HD21  LEU  13          HD21      LEU  13  -2.280  -7.158  -7.130
   77   HD22  LEU  13          HD22      LEU  13  -0.663  -6.454  -7.181
   78   HD23  LEU  13          HD23      LEU  13  -1.983  -5.579  -6.404
   79    H    ARG  14           HN       ARG  14   0.940  -5.502  -1.965
   80    HA   ARG  14           HA       ARG  14  -0.701  -6.534   0.031
   81    HB2  ARG  14           HB2      ARG  14   1.904  -5.034   0.122
   82    HB3  ARG  14           HB1      ARG  14   1.090  -5.532   1.595
   83    HG2  ARG  14           HG2      ARG  14   1.929  -7.392  -0.618
   84    HG3  ARG  14           HG1      ARG  14   2.822  -7.121   0.881
   85    HD2  ARG  14           HD2      ARG  14   0.038  -8.241   0.615
   86    HD3  ARG  14           HD1      ARG  14   1.486  -9.129   1.081
   87    HE   ARG  14           HE       ARG  14   1.164  -6.995   2.859
   88   HH11  ARG  14          HH11      ARG  14  -0.462  -9.983   2.014
   89   HH12  ARG  14          HH12      ARG  14  -1.124 -10.213   3.601
   90   HH21  ARG  14          HH21      ARG  14   0.285  -7.301   4.935
   91   HH22  ARG  14          HH22      ARG  14  -0.700  -8.692   5.258
   92    H    CYS  15           HN       CYS  15   0.347  -3.178  -0.457
   93    HA   CYS  15           HA       CYS  15  -1.107  -1.973   1.556
   94    HB2  CYS  15           HB2      CYS  15  -0.571  -0.872  -1.209
   95    HB3  CYS  15           HB1      CYS  15  -0.852   0.046   0.256
   96    H    HIS  16           HN       HIS  16  -2.051  -2.650  -1.803
   97    HA   HIS  16           HA       HIS  16  -4.659  -1.680  -1.738
   98    HB2  HIS  16           HB2      HIS  16  -3.676  -2.296  -3.833
   99    HB3  HIS  16           HB1      HIS  16  -3.405  -3.948  -3.296
  100    HD1  HIS  16           HD1      HIS  16  -6.330  -1.641  -4.082
  101    HD2  HIS  16           HD2      HIS  16  -5.340  -5.678  -4.062
  102    HE1  HIS  16           HE1      HIS  16  -8.358  -2.839  -4.956
  103    HE2  HIS  16           HE2      HIS  16  -7.673  -5.257  -5.103
  104    H    ASN  17           HN       ASN  17  -3.497  -4.978  -1.039
  105    HA   ASN  17           HA       ASN  17  -5.999  -6.103  -0.476
  106    HB2  ASN  17           HB2      ASN  17  -3.203  -6.859   0.342
  107    HB3  ASN  17           HB1      ASN  17  -4.600  -7.806   0.825
  108   HD21  ASN  17          HD21      ASN  17  -2.369  -8.566  -0.849
  109   HD22  ASN  17          HD22      ASN  17  -3.029  -9.025  -2.379
  110    H    HIS  18           HN       HIS  18  -3.762  -4.321   1.554
  111    HA   HIS  18           HA       HIS  18  -5.121  -4.859   3.998
  112    HB2  HIS  18           HB2      HIS  18  -2.829  -4.135   4.107
  113    HB3  HIS  18           HB1      HIS  18  -3.193  -2.668   3.208
  114    HD1  HIS  18           HD1      HIS  18  -4.129  -4.263   6.537
  115    HD2  HIS  18           HD2      HIS  18  -3.651  -0.533   4.780
  116    HE1  HIS  18           HE1      HIS  18  -4.517  -2.598   8.376
  117    HE2  HIS  18           HE2      HIS  18  -4.038  -0.358   7.332
  118    H    CYS  19           HN       CYS  19  -5.222  -2.187   1.676
  119    HA   CYS  19           HA       CYS  19  -6.988  -0.617   3.261
  120    HB2  CYS  19           HB2      CYS  19  -6.270  -0.387   0.337
  121    HB3  CYS  19           HB1      CYS  19  -7.118   0.839   1.278
  122    H    LYS  20           HN       LYS  20  -7.489  -3.023   0.744
  123    HA   LYS  20           HA       LYS  20 -10.281  -2.380   0.456
  124    HB2  LYS  20           HB2      LYS  20 -10.439  -4.450  -0.859
  125    HB3  LYS  20           HB1      LYS  20  -9.120  -3.427  -1.408
  126    HG2  LYS  20           HG2      LYS  20  -7.511  -4.829  -0.326
  127    HG3  LYS  20           HG1      LYS  20  -8.783  -5.797   0.414
  128    HD2  LYS  20           HD2      LYS  20  -8.366  -5.524  -2.559
  129    HD3  LYS  20           HD1      LYS  20  -7.717  -6.844  -1.586
  130    HE2  LYS  20           HE2      LYS  20  -9.981  -7.465  -0.919
  131    HE3  LYS  20           HE1      LYS  20 -10.635  -6.146  -1.887
  132    HZ1  LYS  20           HZ1      LYS  20 -10.778  -8.232  -3.072
  133    HZ2  LYS  20           HZ2      LYS  20  -9.109  -8.468  -2.930
  134    HZ3  LYS  20           HZ3      LYS  20  -9.706  -7.190  -3.861
  135    H    SER  21           HN       SER  21  -8.531  -3.813   2.873
  136    HA   SER  21           HA       SER  21 -10.680  -5.551   3.782
  137    HB2  SER  21           HB2      SER  21  -8.290  -6.186   4.134
  138    HB3  SER  21           HB1      SER  21  -8.103  -4.783   5.183
  139    HG   SER  21           HG       SER  21 -10.155  -5.972   6.164
  140    H    ILE  22           HN       ILE  22 -10.069  -2.336   3.711
  141    HA   ILE  22           HA       ILE  22 -11.472  -1.791   6.240
  142    HB   ILE  22           HB       ILE  22  -9.834   0.141   4.585
  143   HG12  ILE  22          HG12      ILE  22  -9.053  -1.248   7.159
  144   HG13  ILE  22          HG11      ILE  22  -8.443  -1.681   5.567
  145   HG21  ILE  22          HG21      ILE  22  -9.964   1.567   6.567
  146   HG22  ILE  22          HG22      ILE  22 -10.952   0.352   7.377
  147   HG23  ILE  22          HG23      ILE  22 -11.570   1.178   5.947
  148   HD11  ILE  22          HD11      ILE  22  -7.397   0.493   5.353
  149   HD12  ILE  22          HD12      ILE  22  -6.862  -0.310   6.831
  150   HD13  ILE  22          HD13      ILE  22  -8.060   0.984   6.913
  151    H    LYS  23           HN       LYS  23 -13.508  -1.048   6.061
  152    HA   LYS  23           HA       LYS  23 -14.807  -0.866   3.581
  153    HB2  LYS  23           HB2      LYS  23 -15.812  -1.367   5.876
  154    HB3  LYS  23           HB1      LYS  23 -15.793   0.372   6.136
  155    HG2  LYS  23           HG2      LYS  23 -17.199   0.675   4.153
  156    HG3  LYS  23           HG1      LYS  23 -17.242  -1.076   3.951
  157    HD2  LYS  23           HD2      LYS  23 -18.220   0.385   6.397
  158    HD3  LYS  23           HD1      LYS  23 -19.256  -0.155   5.075
  159    HE2  LYS  23           HE2      LYS  23 -18.628  -2.461   5.500
  160    HE3  LYS  23           HE1      LYS  23 -17.523  -1.948   6.772
  161    HZ1  LYS  23           HZ1      LYS  23 -19.383  -1.127   8.039
  162    HZ2  LYS  23           HZ2      LYS  23 -19.648  -2.750   7.643
  163    HZ3  LYS  23           HZ3      LYS  23 -20.460  -1.531   6.802
  164    H    GLY  24           HN       GLY  24 -15.285   0.809   2.285
  165    HA2  GLY  24           HA2      GLY  24 -15.732   3.129   1.878
  166    HA3  GLY  24           HA1      GLY  24 -14.635   3.529   3.193
  167    H    TYR  25           HN       TYR  25 -12.532   1.762   2.405
  168    HA   TYR  25           HA       TYR  25 -11.402   3.440   0.313
  169    HB2  TYR  25           HB2      TYR  25 -10.148   1.337   2.091
  170    HB3  TYR  25           HB1      TYR  25  -9.268   2.278   0.890
  171    HD1  TYR  25           HD1      TYR  25 -10.367   2.142   4.257
  172    HD2  TYR  25           HD2      TYR  25  -9.366   4.856   1.142
  173    HE1  TYR  25           HE1      TYR  25 -10.004   3.910   5.922
  174    HE2  TYR  25           HE2      TYR  25  -9.002   6.634   2.798
  175    HH   TYR  25           HH       TYR  25  -8.764   5.994   6.136
  176    H    LYS  26           HN       LYS  26 -10.448   2.621  -1.580
  177    HA   LYS  26           HA       LYS  26 -11.549  -0.001  -2.353
  178    HB2  LYS  26           HB2      LYS  26 -11.541   0.929  -4.713
  179    HB3  LYS  26           HB1      LYS  26 -12.752   1.575  -3.619
  180    HG2  LYS  26           HG2      LYS  26 -10.215   3.067  -3.778
  181    HG3  LYS  26           HG1      LYS  26 -11.229   3.084  -5.222
  182    HD2  LYS  26           HD2      LYS  26 -13.127   3.857  -3.863
  183    HD3  LYS  26           HD1      LYS  26 -12.089   3.866  -2.436
  184    HE2  LYS  26           HE2      LYS  26 -12.348   6.105  -3.409
  185    HE3  LYS  26           HE1      LYS  26 -10.675   5.556  -3.433
  186    HZ1  LYS  26           HZ1      LYS  26 -10.974   4.945  -5.770
  187    HZ2  LYS  26           HZ2      LYS  26 -11.248   6.592  -5.515
  188    HZ3  LYS  26           HZ3      LYS  26 -12.553   5.543  -5.732
  189    H    GLY  27           HN       GLY  27  -8.698   1.925  -2.120
  190    HA2  GLY  27           HA2      GLY  27  -7.182  -0.310  -3.199
  191    HA3  GLY  27           HA1      GLY  27  -7.054   1.192  -4.095
  192    H    GLY  28           HN       GLY  28  -4.793   0.260  -3.301
  193    HA2  GLY  28           HA2      GLY  28  -3.887   2.175  -1.339
  194    HA3  GLY  28           HA1      GLY  28  -3.687   0.489  -0.869
  195    H    TYR  29           HN       TYR  29  -1.582   2.417  -1.339
  196    HA   TYR  29           HA       TYR  29   0.061   0.892  -3.122
  197    HB2  TYR  29           HB2      TYR  29   0.477   2.590  -4.796
  198    HB3  TYR  29           HB1      TYR  29  -1.250   2.266  -4.740
  199    HD1  TYR  29           HD1      TYR  29  -2.594   3.874  -3.107
  200    HD2  TYR  29           HD2      TYR  29   1.161   4.799  -4.877
  201    HE1  TYR  29           HE1      TYR  29  -3.038   6.270  -2.792
  202    HE2  TYR  29           HE2      TYR  29   0.722   7.195  -4.567
  203    HH   TYR  29           HH       TYR  29  -1.704   8.371  -2.568
  204    H    CYS  30           HN       CYS  30   2.277   1.909  -3.318
  205    HA   CYS  30           HA       CYS  30   3.064   2.828  -0.704
  206    HB2  CYS  30           HB2      CYS  30   4.758   2.470  -3.183
  207    HB3  CYS  30           HB1      CYS  30   5.352   2.702  -1.550
  208    H    ALA  31           HN       ALA  31   2.480   4.844  -0.264
  209    HA   ALA  31           HA       ALA  31   3.433   6.970  -2.076
  210    HB1  ALA  31           HB1      ALA  31   1.648   8.384  -1.218
  211    HB2  ALA  31           HB2      ALA  31   1.115   7.087  -0.148
  212    HB3  ALA  31           HB3      ALA  31   0.979   6.900  -1.896
  213    H    LYS  32           HN       LYS  32   3.221   9.106  -0.356
  214    HA   LYS  32           HA       LYS  32   4.356  10.237   1.254
  215    HB2  LYS  32           HB2      LYS  32   2.857   8.778   2.655
  216    HB3  LYS  32           HB1      LYS  32   4.184   7.639   2.794
  217    HG2  LYS  32           HG2      LYS  32   4.010   8.995   4.782
  218    HG3  LYS  32           HG1      LYS  32   5.519   9.332   3.938
  219    HD2  LYS  32           HD2      LYS  32   4.484  11.334   2.938
  220    HD3  LYS  32           HD1      LYS  32   3.016  11.010   3.862
  221    HE2  LYS  32           HE2      LYS  32   4.380  12.685   4.973
  222    HE3  LYS  32           HE1      LYS  32   4.285  11.219   5.942
  223    HZ1  LYS  32           HZ1      LYS  32   6.532  12.105   5.879
  224    HZ2  LYS  32           HZ2      LYS  32   6.560  11.982   4.194
  225    HZ3  LYS  32           HZ3      LYS  32   6.473  10.587   5.141
  226    H    GLY  33           HN       GLY  33   5.970   9.534  -0.676
  227    HA2  GLY  33           HA2      GLY  33   8.323   9.612  -0.888
  228    HA3  GLY  33           HA1      GLY  33   8.467   8.834   0.682
  229    H    GLY  34           HN       GLY  34   6.187   7.043  -0.551
  230    HA2  GLY  34           HA2      GLY  34   6.124   5.208  -2.044
  231    HA3  GLY  34           HA1      GLY  34   7.858   5.376  -2.284
  232    H    PHE  35           HN       PHE  35   6.276   5.347   0.843
  233    HA   PHE  35           HA       PHE  35   7.457   2.701   1.365
  234    HB2  PHE  35           HB2      PHE  35   7.498   5.095   3.222
  235    HB3  PHE  35           HB1      PHE  35   8.027   3.478   3.659
  236    HD1  PHE  35           HD1      PHE  35   8.772   6.403   1.548
  237    HD2  PHE  35           HD2      PHE  35  10.196   2.705   3.097
  238    HE1  PHE  35           HE1      PHE  35  11.036   6.942   0.749
  239    HE2  PHE  35           HE2      PHE  35  12.462   3.243   2.307
  240    HZ   PHE  35           HZ       PHE  35  12.906   5.377   1.208
  241    H    VAL  36           HN       VAL  36   5.004   5.079   2.162
  242    HA   VAL  36           HA       VAL  36   3.738   3.325   4.099
  243    HB   VAL  36           HB       VAL  36   3.053   6.125   3.194
  244   HG11  VAL  36          HG11      VAL  36   1.839   4.474   5.400
  245   HG12  VAL  36          HG12      VAL  36   1.035   5.040   3.935
  246   HG13  VAL  36          HG13      VAL  36   1.566   6.200   5.153
  247   HG21  VAL  36          HG21      VAL  36   4.332   5.117   5.728
  248   HG22  VAL  36          HG22      VAL  36   3.904   6.793   5.388
  249   HG23  VAL  36          HG23      VAL  36   5.145   5.987   4.428
  250    H    CYS  37           HN       CYS  37   2.048   2.065   3.684
  251    HA   CYS  37           HA       CYS  37   0.874   1.922   1.095
  252    HB2  CYS  37           HB2      CYS  37   0.254   0.604   3.737
  253    HB3  CYS  37           HB1      CYS  37  -0.648   0.276   2.274
  254    H    LYS  38           HN       LYS  38  -0.028   4.000   0.763
  255    HA   LYS  38           HA       LYS  38  -1.939   5.112   2.570
  256    HB2  LYS  38           HB2      LYS  38  -0.681   6.498   0.943
  257    HB3  LYS  38           HB1      LYS  38  -1.560   5.726  -0.367
  258    HG2  LYS  38           HG2      LYS  38  -3.677   6.537   0.803
  259    HG3  LYS  38           HG1      LYS  38  -2.611   7.568   1.754
  260    HD2  LYS  38           HD2      LYS  38  -2.728   7.557  -1.254
  261    HD3  LYS  38           HD1      LYS  38  -3.615   8.682  -0.227
  262    HE2  LYS  38           HE2      LYS  38  -1.535   9.546   0.667
  263    HE3  LYS  38           HE1      LYS  38  -0.619   8.370  -0.275
  264    HZ1  LYS  38           HZ1      LYS  38  -2.323  10.530  -1.379
  265    HZ2  LYS  38           HZ2      LYS  38  -1.485   9.382  -2.296
  266    HZ3  LYS  38           HZ3      LYS  38  -0.631  10.510  -1.364
  267    H    CYS  39           HN       CYS  39  -4.129   5.092   2.471
  268    HA   CYS  39           HA       CYS  39  -5.329   3.148   0.619
  269    HB2  CYS  39           HB2      CYS  39  -6.341   4.111   3.306
  270    HB3  CYS  39           HB1      CYS  39  -7.155   2.949   2.261
  271    H    TYR  40           HN       TYR  40  -6.884   3.829  -0.752
  272    HA   TYR  40           HA       TYR  40  -7.944   6.531  -0.343
  273    HB2  TYR  40           HB2      TYR  40  -7.897   6.908  -2.799
  274    HB3  TYR  40           HB1      TYR  40  -6.288   6.753  -2.101
  275    HD1  TYR  40           HD1      TYR  40  -4.828   4.991  -2.792
  276    HD2  TYR  40           HD2      TYR  40  -8.849   5.081  -4.178
  277    HE1  TYR  40           HE1      TYR  40  -4.283   3.288  -4.479
  278    HE2  TYR  40           HE2      TYR  40  -8.316   3.383  -5.861
  279    HH   TYR  40           HH       TYR  40  -6.360   2.525  -7.062
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   4.489   0.900   4.871
    2    H2   GLY   1           HT2      GLY   1   5.324   0.982   6.340
    3    H3   GLY   1           HT3      GLY   1   3.657   0.711   6.330
    4    HA2  GLY   1           HA1      GLY   1   5.684  -1.147   5.229
    5    HA3  GLY   1           HA2      GLY   1   4.900  -1.323   6.793
    6    H    PHE   2           HN       PHE   2   3.643  -3.048   6.582
    7    HA   PHE   2           HA       PHE   2   1.858  -4.325   6.041
    8    HB2  PHE   2           HB2      PHE   2   0.902  -1.953   4.423
    9    HB3  PHE   2           HB1      PHE   2  -0.072  -3.325   4.937
   10    HD1  PHE   2           HD1      PHE   2   0.595  -3.690   7.711
   11    HD2  PHE   2           HD2      PHE   2   0.154  -0.081   5.502
   12    HE1  PHE   2           HE1      PHE   2   0.018  -2.499   9.784
   13    HE2  PHE   2           HE2      PHE   2  -0.419   1.118   7.576
   14    HZ   PHE   2           HZ       PHE   2  -0.487  -0.091   9.717
   15    H    GLY   3           HN       GLY   3   4.233  -3.747   4.070
   16    HA2  GLY   3           HA2      GLY   3   4.320  -5.688   2.347
   17    HA3  GLY   3           HA1      GLY   3   3.059  -4.721   1.588
   18    H    CYS   4           HN       CYS   4   4.579  -2.354   2.861
   19    HA   CYS   4           HA       CYS   4   6.367  -1.933   0.610
   20    HB2  CYS   4           HB2      CYS   4   5.376  -0.109   2.791
   21    HB3  CYS   4           HB1      CYS   4   6.538   0.381   1.563
   22    H    ASN   5           HN       ASN   5   8.473  -2.187   0.722
   23    HA   ASN   5           HA       ASN   5   9.785  -1.923   3.341
   24    HB2  ASN   5           HB2      ASN   5  10.228  -4.018   1.216
   25    HB3  ASN   5           HB1      ASN   5  11.442  -3.654   2.437
   26   HD21  ASN   5          HD21      ASN   5   8.270  -4.988   1.856
   27   HD22  ASN   5          HD22      ASN   5   8.114  -5.775   3.386
   28    H    GLY   6           HN       GLY   6   9.317  -0.025   1.192
   29    HA2  GLY   6           HA2      GLY   6  10.938   1.807   0.979
   30    HA3  GLY   6           HA1      GLY   6  12.124   0.593   0.525
   31    HA   PRO   7           HA       PRO   7   9.697   2.538  -3.129
   32    HB2  PRO   7           HB2      PRO   7  11.796   3.914  -4.216
   33    HB3  PRO   7           HB1      PRO   7  10.632   4.613  -3.094
   34    HG2  PRO   7           HG2      PRO   7  13.377   3.576  -2.563
   35    HG3  PRO   7           HG1      PRO   7  12.582   5.022  -1.917
   36    HD2  PRO   7           HD2      PRO   7  12.815   2.748  -0.486
   37    HD3  PRO   7           HD1      PRO   7  11.411   3.820  -0.329
   38    H    TRP   8           HN       TRP   8  12.599   0.853  -2.588
   39    HA   TRP   8           HA       TRP   8  12.890  -0.043  -5.337
   40    HB2  TRP   8           HB2      TRP   8  14.855  -1.223  -4.555
   41    HB3  TRP   8           HB1      TRP   8  14.881   0.408  -3.897
   42    HD1  TRP   8           HD1      TRP   8  13.808   0.513  -1.236
   43    HE1  TRP   8           HE1      TRP   8  14.325  -1.104   0.699
   44    HE3  TRP   8           HE3      TRP   8  15.514  -3.467  -3.950
   45    HZ2  TRP   8           HZ2      TRP   8  15.322  -3.723   1.025
   46    HZ3  TRP   8           HZ3      TRP   8  16.225  -5.493  -2.749
   47    HH2  TRP   8           HH2      TRP   8  16.132  -5.616  -0.313
   48    H    ASN   9           HN       ASN   9  11.108  -0.897  -2.610
   49    HA   ASN   9           HA       ASN   9  10.418  -3.488  -3.678
   50    HB2  ASN   9           HB2      ASN   9  12.467  -3.972  -2.387
   51    HB3  ASN   9           HB1      ASN   9  11.729  -3.264  -0.955
   52   HD21  ASN   9          HD21      ASN   9  11.985  -5.226   0.154
   53   HD22  ASN   9          HD22      ASN   9  10.951  -6.580  -0.152
   54    H    GLU  10           HN       GLU  10   8.718  -1.459  -3.556
   55    HA   GLU  10           HA       GLU  10   7.052  -1.990  -1.216
   56    HB2  GLU  10           HB2      GLU  10   5.694  -0.075  -2.596
   57    HB3  GLU  10           HB1      GLU  10   6.845   0.234  -1.312
   58    HG2  GLU  10           HG2      GLU  10   7.246   1.697  -3.185
   59    HG3  GLU  10           HG1      GLU  10   8.609   0.607  -2.940
   60    H    ASP  11           HN       ASP  11   5.146  -3.062  -1.372
   61    HA   ASP  11           HA       ASP  11   4.618  -4.253  -3.999
   62    HB2  ASP  11           HB2      ASP  11   5.123  -5.773  -2.070
   63    HB3  ASP  11           HB1      ASP  11   3.631  -5.220  -1.313
   64    H    ASP  12           HN       ASP  12   3.019  -3.465  -5.108
   65    HA   ASP  12           HA       ASP  12   1.186  -1.564  -4.092
   66    HB2  ASP  12           HB2      ASP  12   1.980  -1.617  -6.437
   67    HB3  ASP  12           HB1      ASP  12   1.093  -3.115  -6.689
   68    H    LEU  13           HN       LEU  13   1.042  -5.014  -4.599
   69    HA   LEU  13           HA       LEU  13  -1.780  -5.279  -4.525
   70    HB2  LEU  13           HB2      LEU  13   0.305  -6.902  -5.152
   71    HB3  LEU  13           HB1      LEU  13  -0.111  -7.509  -3.570
   72    HG   LEU  13           HG       LEU  13  -1.249  -8.864  -5.158
   73   HD11  LEU  13          HD11      LEU  13  -3.235  -6.890  -4.056
   74   HD12  LEU  13          HD12      LEU  13  -2.571  -8.279  -3.198
   75   HD13  LEU  13          HD13      LEU  13  -3.587  -8.524  -4.616
   76   HD21  LEU  13          HD21      LEU  13  -2.743  -7.955  -6.867
   77   HD22  LEU  13          HD22      LEU  13  -1.091  -7.371  -7.076
   78   HD23  LEU  13          HD23      LEU  13  -2.318  -6.318  -6.370
   79    H    ARG  14           HN       ARG  14   0.805  -5.627  -2.131
   80    HA   ARG  14           HA       ARG  14  -0.709  -6.343   0.088
   81    HB2  ARG  14           HB2      ARG  14   1.779  -4.636  -0.080
   82    HB3  ARG  14           HB1      ARG  14   1.062  -5.152   1.432
   83    HG2  ARG  14           HG2      ARG  14   2.120  -6.969  -0.722
   84    HG3  ARG  14           HG1      ARG  14   2.915  -6.591   0.807
   85    HD2  ARG  14           HD2      ARG  14   0.334  -8.082   0.395
   86    HD3  ARG  14           HD1      ARG  14   1.849  -8.715   1.033
   87    HE   ARG  14           HE       ARG  14   1.141  -6.668   2.732
   88   HH11  ARG  14          HH11      ARG  14  -0.282  -9.666   1.640
   89   HH12  ARG  14          HH12      ARG  14  -1.199  -9.917   3.089
   90   HH21  ARG  14          HH21      ARG  14  -0.071  -6.989   4.663
   91   HH22  ARG  14          HH22      ARG  14  -1.079  -8.394   4.810
   92    H    CYS  15           HN       CYS  15   0.224  -3.032  -0.864
   93    HA   CYS  15           HA       CYS  15  -1.258  -1.637   0.981
   94    HB2  CYS  15           HB2      CYS  15  -0.730  -0.900  -1.902
   95    HB3  CYS  15           HB1      CYS  15  -1.180   0.205  -0.623
   96    H    HIS  16           HN       HIS  16  -2.272  -2.883  -2.193
   97    HA   HIS  16           HA       HIS  16  -4.909  -1.942  -2.164
   98    HB2  HIS  16           HB2      HIS  16  -4.114  -2.847  -4.205
   99    HB3  HIS  16           HB1      HIS  16  -3.625  -4.352  -3.445
  100    HD1  HIS  16           HD1      HIS  16  -6.851  -2.486  -4.253
  101    HD2  HIS  16           HD2      HIS  16  -5.432  -6.357  -3.730
  102    HE1  HIS  16           HE1      HIS  16  -8.811  -3.991  -4.700
  103    HE2  HIS  16           HE2      HIS  16  -7.876  -6.325  -4.584
  104    H    ASN  17           HN       ASN  17  -3.626  -5.075  -1.071
  105    HA   ASN  17           HA       ASN  17  -6.049  -6.156  -0.193
  106    HB2  ASN  17           HB2      ASN  17  -3.189  -6.701   0.572
  107    HB3  ASN  17           HB1      ASN  17  -4.526  -7.604   1.262
  108   HD21  ASN  17          HD21      ASN  17  -2.366  -8.573  -0.377
  109   HD22  ASN  17          HD22      ASN  17  -3.086  -9.273  -1.786
  110    H    HIS  18           HN       HIS  18  -3.623  -4.250   1.497
  111    HA   HIS  18           HA       HIS  18  -4.732  -4.420   4.069
  112    HB2  HIS  18           HB2      HIS  18  -2.462  -3.619   3.703
  113    HB3  HIS  18           HB1      HIS  18  -3.065  -2.234   2.805
  114    HD1  HIS  18           HD1      HIS  18  -3.456  -3.664   6.316
  115    HD2  HIS  18           HD2      HIS  18  -3.221  -0.025   4.328
  116    HE1  HIS  18           HE1      HIS  18  -3.551  -1.904   8.115
  117    HE2  HIS  18           HE2      HIS  18  -3.484   0.293   6.882
  118    H    CYS  19           HN       CYS  19  -5.210  -2.031   1.493
  119    HA   CYS  19           HA       CYS  19  -6.934  -0.425   3.125
  120    HB2  CYS  19           HB2      CYS  19  -6.258  -0.295   0.190
  121    HB3  CYS  19           HB1      CYS  19  -7.222   0.906   1.042
  122    H    LYS  20           HN       LYS  20  -7.436  -2.910   0.675
  123    HA   LYS  20           HA       LYS  20 -10.184  -2.301   0.227
  124    HB2  LYS  20           HB2      LYS  20 -10.320  -4.347  -0.980
  125    HB3  LYS  20           HB1      LYS  20  -8.716  -3.698  -1.295
  126    HG2  LYS  20           HG2      LYS  20  -7.752  -5.228   0.311
  127    HG3  LYS  20           HG1      LYS  20  -9.353  -5.841   0.720
  128    HD2  LYS  20           HD2      LYS  20  -9.584  -6.525  -1.689
  129    HD3  LYS  20           HD1      LYS  20  -7.876  -6.124  -1.890
  130    HE2  LYS  20           HE2      LYS  20  -7.328  -7.732  -0.093
  131    HE3  LYS  20           HE1      LYS  20  -9.033  -8.164   0.008
  132    HZ1  LYS  20           HZ1      LYS  20  -8.905  -8.860  -2.335
  133    HZ2  LYS  20           HZ2      LYS  20  -7.889  -9.759  -1.332
  134    HZ3  LYS  20           HZ3      LYS  20  -7.243  -8.556  -2.326
  135    H    SER  21           HN       SER  21  -8.490  -3.886   2.740
  136    HA   SER  21           HA       SER  21 -10.785  -5.349   3.724
  137    HB2  SER  21           HB2      SER  21  -8.480  -6.252   3.959
  138    HB3  SER  21           HB1      SER  21  -8.077  -4.894   5.007
  139    HG   SER  21           HG       SER  21  -9.911  -5.664   6.330
  140    H    ILE  22           HN       ILE  22  -9.900  -2.199   3.712
  141    HA   ILE  22           HA       ILE  22 -11.148  -1.631   6.314
  142    HB   ILE  22           HB       ILE  22  -9.516   0.246   4.592
  143   HG12  ILE  22          HG12      ILE  22  -8.688  -1.201   7.118
  144   HG13  ILE  22          HG11      ILE  22  -8.160  -1.633   5.495
  145   HG21  ILE  22          HG21      ILE  22  -9.485   1.655   6.603
  146   HG22  ILE  22          HG22      ILE  22 -10.523   0.489   7.423
  147   HG23  ILE  22          HG23      ILE  22 -11.127   1.371   6.022
  148   HD11  ILE  22          HD11      ILE  22  -7.588   0.957   6.919
  149   HD12  ILE  22          HD12      ILE  22  -7.079   0.554   5.280
  150   HD13  ILE  22          HD13      ILE  22  -6.453  -0.365   6.648
  151    H    LYS  23           HN       LYS  23 -13.244  -1.153   6.129
  152    HA   LYS  23           HA       LYS  23 -14.603  -0.702   3.760
  153    HB2  LYS  23           HB2      LYS  23 -15.543  -1.331   6.058
  154    HB3  LYS  23           HB1      LYS  23 -15.499   0.390   6.416
  155    HG2  LYS  23           HG2      LYS  23 -17.034   0.869   4.650
  156    HG3  LYS  23           HG1      LYS  23 -16.964  -0.800   4.088
  157    HD2  LYS  23           HD2      LYS  23 -19.004  -0.478   5.320
  158    HD3  LYS  23           HD1      LYS  23 -17.934  -1.523   6.250
  159    HE2  LYS  23           HE2      LYS  23 -18.976   0.079   7.716
  160    HE3  LYS  23           HE1      LYS  23 -17.253   0.427   7.599
  161    HZ1  LYS  23           HZ1      LYS  23 -18.613   2.429   7.477
  162    HZ2  LYS  23           HZ2      LYS  23 -19.387   1.842   6.097
  163    HZ3  LYS  23           HZ3      LYS  23 -17.736   2.200   6.053
  164    H    GLY  24           HN       GLY  24 -15.082   1.041   2.576
  165    HA2  GLY  24           HA2      GLY  24 -15.364   3.433   2.312
  166    HA3  GLY  24           HA1      GLY  24 -14.095   3.657   3.509
  167    H    TYR  25           HN       TYR  25 -12.370   1.602   2.392
  168    HA   TYR  25           HA       TYR  25 -11.440   3.065   0.003
  169    HB2  TYR  25           HB2      TYR  25  -9.764   1.381   1.876
  170    HB3  TYR  25           HB1      TYR  25  -9.189   2.437   0.592
  171    HD1  TYR  25           HD1      TYR  25  -9.574   2.167   4.040
  172    HD2  TYR  25           HD2      TYR  25 -10.036   4.971   0.878
  173    HE1  TYR  25           HE1      TYR  25  -9.399   4.011   5.657
  174    HE2  TYR  25           HE2      TYR  25  -9.858   6.822   2.480
  175    HH   TYR  25           HH       TYR  25 -10.295   7.148   4.955
  176    H    LYS  26           HN       LYS  26 -10.608   1.800  -1.770
  177    HA   LYS  26           HA       LYS  26 -11.435  -1.020  -1.616
  178    HB2  LYS  26           HB2      LYS  26 -12.148  -0.963  -3.885
  179    HB3  LYS  26           HB1      LYS  26 -12.832   0.439  -3.096
  180    HG2  LYS  26           HG2      LYS  26 -12.191   1.280  -5.125
  181    HG3  LYS  26           HG1      LYS  26 -10.830   1.708  -4.090
  182    HD2  LYS  26           HD2      LYS  26  -9.466   0.046  -4.996
  183    HD3  LYS  26           HD1      LYS  26 -10.834  -0.847  -5.664
  184    HE2  LYS  26           HE2      LYS  26  -9.867   1.846  -6.624
  185    HE3  LYS  26           HE1      LYS  26  -9.524   0.304  -7.400
  186    HZ1  LYS  26           HZ1      LYS  26 -12.192   1.553  -7.060
  187    HZ2  LYS  26           HZ2      LYS  26 -11.930   0.013  -7.701
  188    HZ3  LYS  26           HZ3      LYS  26 -11.338   1.372  -8.506
  189    H    GLY  27           HN       GLY  27  -8.829   0.967  -1.770
  190    HA2  GLY  27           HA2      GLY  27  -6.969  -1.089  -2.159
  191    HA3  GLY  27           HA1      GLY  27  -7.154  -0.225  -3.680
  192    H    GLY  28           HN       GLY  28  -4.721  -0.044  -2.848
  193    HA2  GLY  28           HA2      GLY  28  -4.450   2.709  -2.038
  194    HA3  GLY  28           HA1      GLY  28  -3.866   1.560  -0.843
  195    H    TYR  29           HN       TYR  29  -2.092   3.299  -1.782
  196    HA   TYR  29           HA       TYR  29  -0.309   1.610  -3.354
  197    HB2  TYR  29           HB2      TYR  29   0.372   3.678  -4.694
  198    HB3  TYR  29           HB1      TYR  29  -1.159   2.927  -5.124
  199    HD1  TYR  29           HD1      TYR  29  -3.102   4.238  -5.232
  200    HD2  TYR  29           HD2      TYR  29   0.275   5.696  -3.094
  201    HE1  TYR  29           HE1      TYR  29  -4.230   6.403  -4.937
  202    HE2  TYR  29           HE2      TYR  29  -0.845   7.861  -2.795
  203    HH   TYR  29           HH       TYR  29  -2.569   9.179  -3.683
  204    H    CYS  30           HN       CYS  30   1.922   2.171  -3.103
  205    HA   CYS  30           HA       CYS  30   2.415   3.157  -0.442
  206    HB2  CYS  30           HB2      CYS  30   3.600   1.195  -1.797
  207    HB3  CYS  30           HB1      CYS  30   4.668   2.511  -2.268
  208    H    ALA  31           HN       ALA  31   2.834   5.159   0.040
  209    HA   ALA  31           HA       ALA  31   4.214   6.889  -1.889
  210    HB1  ALA  31           HB1      ALA  31   1.699   7.619  -0.388
  211    HB2  ALA  31           HB2      ALA  31   1.833   7.349  -2.125
  212    HB3  ALA  31           HB3      ALA  31   2.655   8.719  -1.380
  213    H    LYS  32           HN       LYS  32   4.181   9.209  -0.408
  214    HA   LYS  32           HA       LYS  32   5.388  10.307   1.155
  215    HB2  LYS  32           HB2      LYS  32   4.183   8.118   2.831
  216    HB3  LYS  32           HB1      LYS  32   5.045   9.489   3.516
  217    HG2  LYS  32           HG2      LYS  32   2.582   9.678   1.789
  218    HG3  LYS  32           HG1      LYS  32   2.595   9.765   3.552
  219    HD2  LYS  32           HD2      LYS  32   3.980  11.759   3.464
  220    HD3  LYS  32           HD1      LYS  32   4.049  11.657   1.705
  221    HE2  LYS  32           HE2      LYS  32   1.508  11.983   3.288
  222    HE3  LYS  32           HE1      LYS  32   2.408  13.314   2.575
  223    HZ1  LYS  32           HZ1      LYS  32   1.183  11.055   1.087
  224    HZ2  LYS  32           HZ2      LYS  32   2.069  12.314   0.393
  225    HZ3  LYS  32           HZ3      LYS  32   0.593  12.638   1.152
  226    H    GLY  33           HN       GLY  33   7.127   9.165  -0.295
  227    HA2  GLY  33           HA2      GLY  33   9.444   8.795  -0.020
  228    HA3  GLY  33           HA1      GLY  33   9.129   8.143   1.582
  229    H    GLY  34           HN       GLY  34   6.828   6.776  -0.183
  230    HA2  GLY  34           HA2      GLY  34   6.626   4.807  -1.405
  231    HA3  GLY  34           HA1      GLY  34   8.380   4.702  -1.473
  232    H    PHE  35           HN       PHE  35   6.418   5.055   1.444
  233    HA   PHE  35           HA       PHE  35   7.034   2.267   2.124
  234    HB2  PHE  35           HB2      PHE  35   7.405   4.647   3.965
  235    HB3  PHE  35           HB1      PHE  35   7.500   2.972   4.481
  236    HD1  PHE  35           HD1      PHE  35   9.160   5.640   2.592
  237    HD2  PHE  35           HD2      PHE  35   9.445   1.644   4.031
  238    HE1  PHE  35           HE1      PHE  35  11.574   5.648   2.123
  239    HE2  PHE  35           HE2      PHE  35  11.858   1.645   3.560
  240    HZ   PHE  35           HZ       PHE  35  12.927   3.648   2.606
  241    H    VAL  36           HN       VAL  36   4.811   4.889   2.197
  242    HA   VAL  36           HA       VAL  36   3.141   3.553   4.193
  243    HB   VAL  36           HB       VAL  36   2.805   6.286   2.949
  244   HG11  VAL  36          HG11      VAL  36   1.192   6.671   4.759
  245   HG12  VAL  36          HG12      VAL  36   1.376   4.994   5.270
  246   HG13  VAL  36          HG13      VAL  36   0.686   5.362   3.690
  247   HG21  VAL  36          HG21      VAL  36   4.811   6.165   4.328
  248   HG22  VAL  36          HG22      VAL  36   3.866   5.506   5.662
  249   HG23  VAL  36          HG23      VAL  36   3.573   7.152   5.104
  250    H    CYS  37           HN       CYS  37   1.773   2.088   3.392
  251    HA   CYS  37           HA       CYS  37   0.681   2.146   0.770
  252    HB2  CYS  37           HB2      CYS  37   0.068   0.599   3.280
  253    HB3  CYS  37           HB1      CYS  37  -0.914   0.427   1.845
  254    H    LYS  38           HN       LYS  38  -0.140   4.384   0.768
  255    HA   LYS  38           HA       LYS  38  -2.214   5.134   2.590
  256    HB2  LYS  38           HB2      LYS  38  -0.668   6.707   1.282
  257    HB3  LYS  38           HB1      LYS  38  -1.744   6.440  -0.077
  258    HG2  LYS  38           HG2      LYS  38  -3.632   7.182   1.394
  259    HG3  LYS  38           HG1      LYS  38  -2.425   7.656   2.588
  260    HD2  LYS  38           HD2      LYS  38  -2.914   9.617   1.417
  261    HD3  LYS  38           HD1      LYS  38  -1.389   9.060   0.727
  262    HE2  LYS  38           HE2      LYS  38  -2.826   9.763  -1.059
  263    HE3  LYS  38           HE1      LYS  38  -2.679   8.008  -1.120
  264    HZ1  LYS  38           HZ1      LYS  38  -4.967   8.766  -1.449
  265    HZ2  LYS  38           HZ2      LYS  38  -4.958   9.492   0.077
  266    HZ3  LYS  38           HZ3      LYS  38  -4.832   7.811  -0.057
  267    H    CYS  39           HN       CYS  39  -4.392   5.358   2.193
  268    HA   CYS  39           HA       CYS  39  -5.374   3.466   0.171
  269    HB2  CYS  39           HB2      CYS  39  -6.734   4.448   2.688
  270    HB3  CYS  39           HB1      CYS  39  -7.327   3.191   1.607
  271    H    TYR  40           HN       TYR  40  -7.458   3.965  -0.838
  272    HA   TYR  40           HA       TYR  40  -8.113   6.813  -0.855
  273    HB2  TYR  40           HB2      TYR  40  -8.528   6.629  -3.342
  274    HB3  TYR  40           HB1      TYR  40  -6.846   6.617  -2.842
  275    HD1  TYR  40           HD1      TYR  40  -5.449   5.071  -3.859
  276    HD2  TYR  40           HD2      TYR  40  -9.603   4.202  -3.558
  277    HE1  TYR  40           HE1      TYR  40  -5.099   2.994  -5.103
  278    HE2  TYR  40           HE2      TYR  40  -9.258   2.111  -4.804
  279    HH   TYR  40           HH       TYR  40  -7.615   1.179  -6.418
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   4.351  -0.397   7.882
    2    H2   GLY   1           HT2      GLY   1   5.265   0.608   6.876
    3    H3   GLY   1           HT3      GLY   1   5.519  -1.064   6.858
    4    HA2  GLY   1           HA1      GLY   1   3.046   0.319   5.995
    5    HA3  GLY   1           HA2      GLY   1   4.261  -0.359   4.922
    6    H    PHE   2           HN       PHE   2   2.358  -1.539   4.099
    7    HA   PHE   2           HA       PHE   2   1.968  -4.011   5.606
    8    HB2  PHE   2           HB2      PHE   2  -0.139  -2.662   3.909
    9    HB3  PHE   2           HB1      PHE   2  -0.337  -4.138   4.849
   10    HD1  PHE   2           HD1      PHE   2  -0.236  -4.009   7.344
   11    HD2  PHE   2           HD2      PHE   2  -0.451  -0.552   4.874
   12    HE1  PHE   2           HE1      PHE   2  -0.975  -2.679   9.278
   13    HE2  PHE   2           HE2      PHE   2  -1.189   0.782   6.802
   14    HZ   PHE   2           HZ       PHE   2  -1.450  -0.279   9.008
   15    H    GLY   3           HN       GLY   3   3.918  -4.390   4.155
   16    HA2  GLY   3           HA2      GLY   3   4.597  -5.741   2.351
   17    HA3  GLY   3           HA1      GLY   3   3.037  -5.458   1.586
   18    H    CYS   4           HN       CYS   4   5.430  -3.242   2.903
   19    HA   CYS   4           HA       CYS   4   6.233  -2.267   0.336
   20    HB2  CYS   4           HB2      CYS   4   3.999  -1.198   0.636
   21    HB3  CYS   4           HB1      CYS   4   4.602  -0.441   2.108
   22    H    ASN   5           HN       ASN   5   8.316  -2.548   1.003
   23    HA   ASN   5           HA       ASN   5   9.141  -1.102   3.429
   24    HB2  ASN   5           HB2      ASN   5  10.282  -3.542   2.078
   25    HB3  ASN   5           HB1      ASN   5  11.203  -2.616   3.258
   26   HD21  ASN   5          HD21      ASN   5   8.414  -4.656   2.756
   27   HD22  ASN   5          HD22      ASN   5   8.155  -5.036   4.422
   28    H    GLY   6           HN       GLY   6   8.739   0.139   0.861
   29    HA2  GLY   6           HA2      GLY   6  10.008   2.132   0.348
   30    HA3  GLY   6           HA1      GLY   6  11.476   1.185   0.533
   31    HA   PRO   7           HA       PRO   7   9.957   1.823  -3.968
   32    HB2  PRO   7           HB2      PRO   7  12.511   2.611  -4.767
   33    HB3  PRO   7           HB1      PRO   7  11.147   3.680  -4.453
   34    HG2  PRO   7           HG2      PRO   7  13.440   2.965  -2.694
   35    HG3  PRO   7           HG1      PRO   7  12.590   4.512  -2.861
   36    HD2  PRO   7           HD2      PRO   7  12.173   2.914  -0.757
   37    HD3  PRO   7           HD1      PRO   7  10.846   3.841  -1.487
   38    H    TRP   8           HN       TRP   8  12.768   0.337  -2.492
   39    HA   TRP   8           HA       TRP   8  13.345  -1.294  -4.797
   40    HB2  TRP   8           HB2      TRP   8  15.154  -2.198  -3.533
   41    HB3  TRP   8           HB1      TRP   8  15.093  -0.479  -3.167
   42    HD1  TRP   8           HD1      TRP   8  13.954   0.157  -0.719
   43    HE1  TRP   8           HE1      TRP   8  14.054  -1.133   1.505
   44    HE3  TRP   8           HE3      TRP   8  15.264  -4.440  -2.514
   45    HZ2  TRP   8           HZ2      TRP   8  14.610  -3.756   2.381
   46    HZ3  TRP   8           HZ3      TRP   8  15.557  -6.290  -0.918
   47    HH2  TRP   8           HH2      TRP   8  15.238  -5.954   1.478
   48    H    ASN   9           HN       ASN   9  11.219  -1.480  -2.138
   49    HA   ASN   9           HA       ASN   9  10.674  -4.300  -2.685
   50    HB2  ASN   9           HB2      ASN   9  12.373  -3.870  -0.709
   51    HB3  ASN   9           HB1      ASN   9  10.905  -3.475   0.180
   52   HD21  ASN   9          HD21      ASN   9   9.304  -5.099   0.447
   53   HD22  ASN   9          HD22      ASN   9   9.718  -6.775   0.336
   54    H    GLU  10           HN       GLU  10   9.111  -2.243  -3.457
   55    HA   GLU  10           HA       GLU  10   6.963  -2.026  -1.486
   56    HB2  GLU  10           HB2      GLU  10   6.058  -0.489  -3.461
   57    HB3  GLU  10           HB1      GLU  10   7.212   0.107  -2.276
   58    HG2  GLU  10           HG2      GLU  10   8.969   0.057  -3.751
   59    HG3  GLU  10           HG1      GLU  10   8.202  -1.146  -4.791
   60    H    ASP  11           HN       ASP  11   5.956  -4.002  -1.598
   61    HA   ASP  11           HA       ASP  11   5.244  -5.327  -3.974
   62    HB2  ASP  11           HB2      ASP  11   4.029  -5.399  -1.211
   63    HB3  ASP  11           HB1      ASP  11   3.438  -6.401  -2.530
   64    H    ASP  12           HN       ASP  12   3.487  -3.071  -1.927
   65    HA   ASP  12           HA       ASP  12   2.038  -1.396  -2.385
   66    HB2  ASP  12           HB2      ASP  12   3.441  -1.228  -4.486
   67    HB3  ASP  12           HB1      ASP  12   2.197  -2.169  -5.290
   68    H    LEU  13           HN       LEU  13   1.535  -4.426  -4.004
   69    HA   LEU  13           HA       LEU  13  -1.284  -4.220  -4.349
   70    HB2  LEU  13           HB2      LEU  13   0.644  -5.882  -5.263
   71    HB3  LEU  13           HB1      LEU  13  -0.033  -6.877  -4.000
   72    HG   LEU  13           HG       LEU  13  -1.087  -7.490  -6.053
   73   HD11  LEU  13          HD11      LEU  13  -3.433  -7.048  -5.615
   74   HD12  LEU  13          HD12      LEU  13  -2.989  -5.767  -4.487
   75   HD13  LEU  13          HD13      LEU  13  -2.567  -7.441  -4.130
   76   HD21  LEU  13          HD21      LEU  13  -1.817  -4.589  -6.402
   77   HD22  LEU  13          HD22      LEU  13  -2.263  -5.914  -7.473
   78   HD23  LEU  13          HD23      LEU  13  -0.571  -5.449  -7.306
   79    H    ARG  14           HN       ARG  14   0.828  -5.660  -1.947
   80    HA   ARG  14           HA       ARG  14  -1.064  -6.884  -0.314
   81    HB2  ARG  14           HB2      ARG  14   1.666  -5.745   0.182
   82    HB3  ARG  14           HB1      ARG  14   0.729  -6.425   1.502
   83    HG2  ARG  14           HG2      ARG  14   0.688  -8.571   0.473
   84    HG3  ARG  14           HG1      ARG  14   1.341  -7.929  -1.032
   85    HD2  ARG  14           HD2      ARG  14   3.061  -9.120   0.184
   86    HD3  ARG  14           HD1      ARG  14   3.441  -7.401   0.123
   87    HE   ARG  14           HE       ARG  14   2.069  -7.897   2.508
   88   HH11  ARG  14          HH11      ARG  14   5.115  -8.736   0.991
   89   HH12  ARG  14          HH12      ARG  14   5.974  -8.862   2.492
   90   HH21  ARG  14          HH21      ARG  14   3.196  -8.054   4.480
   91   HH22  ARG  14          HH22      ARG  14   4.879  -8.480   4.486
   92    H    CYS  15           HN       CYS  15   0.272  -3.585  -0.065
   93    HA   CYS  15           HA       CYS  15  -1.310  -2.685   2.028
   94    HB2  CYS  15           HB2      CYS  15  -0.081  -1.260  -0.329
   95    HB3  CYS  15           HB1      CYS  15  -0.910  -0.423   0.966
   96    H    HIS  16           HN       HIS  16  -1.930  -2.739  -1.457
   97    HA   HIS  16           HA       HIS  16  -4.420  -1.462  -1.467
   98    HB2  HIS  16           HB2      HIS  16  -3.352  -1.835  -3.554
   99    HB3  HIS  16           HB1      HIS  16  -3.198  -3.556  -3.263
  100    HD1  HIS  16           HD1      HIS  16  -5.808  -0.963  -4.137
  101    HD2  HIS  16           HD2      HIS  16  -5.256  -5.077  -4.205
  102    HE1  HIS  16           HE1      HIS  16  -7.821  -1.894  -5.314
  103    HE2  HIS  16           HE2      HIS  16  -7.319  -4.346  -5.578
  104    H    ASN  17           HN       ASN  17  -3.623  -4.909  -1.193
  105    HA   ASN  17           HA       ASN  17  -6.245  -5.861  -0.968
  106    HB2  ASN  17           HB2      ASN  17  -3.614  -6.967   0.012
  107    HB3  ASN  17           HB1      ASN  17  -5.128  -7.849   0.132
  108   HD21  ASN  17          HD21      ASN  17  -2.745  -8.552  -1.357
  109   HD22  ASN  17          HD22      ASN  17  -3.223  -8.668  -3.018
  110    H    HIS  18           HN       HIS  18  -3.916  -4.867   1.496
  111    HA   HIS  18           HA       HIS  18  -5.394  -5.465   3.775
  112    HB2  HIS  18           HB2      HIS  18  -3.075  -4.782   3.939
  113    HB3  HIS  18           HB1      HIS  18  -3.444  -3.209   3.257
  114    HD1  HIS  18           HD1      HIS  18  -4.039  -5.232   6.413
  115    HD2  HIS  18           HD2      HIS  18  -4.121  -1.310   5.057
  116    HE1  HIS  18           HE1      HIS  18  -4.435  -3.815   8.456
  117    HE2  HIS  18           HE2      HIS  18  -4.300  -1.437   7.633
  118    H    CYS  19           HN       CYS  19  -5.393  -2.479   1.835
  119    HA   CYS  19           HA       CYS  19  -7.292  -1.285   3.652
  120    HB2  CYS  19           HB2      CYS  19  -5.764  -0.270   1.285
  121    HB3  CYS  19           HB1      CYS  19  -7.074   0.674   1.986
  122    H    LYS  20           HN       LYS  20  -7.436  -2.779   0.463
  123    HA   LYS  20           HA       LYS  20 -10.001  -1.657  -0.140
  124    HB2  LYS  20           HB2      LYS  20 -10.013  -2.915  -2.087
  125    HB3  LYS  20           HB1      LYS  20  -8.296  -2.706  -1.798
  126    HG2  LYS  20           HG2      LYS  20  -8.051  -4.931  -1.056
  127    HG3  LYS  20           HG1      LYS  20  -9.796  -5.160  -0.924
  128    HD2  LYS  20           HD2      LYS  20  -9.883  -4.724  -3.427
  129    HD3  LYS  20           HD1      LYS  20  -8.129  -4.897  -3.414
  130    HE2  LYS  20           HE2      LYS  20 -10.050  -6.994  -2.412
  131    HE3  LYS  20           HE1      LYS  20  -9.372  -6.971  -4.036
  132    HZ1  LYS  20           HZ1      LYS  20  -8.125  -8.450  -2.635
  133    HZ2  LYS  20           HZ2      LYS  20  -7.848  -7.231  -1.502
  134    HZ3  LYS  20           HZ3      LYS  20  -7.151  -7.131  -3.042
  135    H    SER  21           HN       SER  21  -8.946  -4.050   1.966
  136    HA   SER  21           HA       SER  21 -11.466  -5.477   2.063
  137    HB2  SER  21           HB2      SER  21  -9.306  -6.654   2.445
  138    HB3  SER  21           HB1      SER  21  -9.052  -5.671   3.885
  139    HG   SER  21           HG       SER  21 -11.340  -7.307   3.514
  140    H    ILE  22           HN       ILE  22  -9.915  -2.790   3.574
  141    HA   ILE  22           HA       ILE  22 -11.596  -2.738   5.913
  142    HB   ILE  22           HB       ILE  22  -9.797  -0.589   4.767
  143   HG12  ILE  22          HG12      ILE  22  -9.319  -2.510   7.059
  144   HG13  ILE  22          HG11      ILE  22  -8.587  -2.635   5.463
  145   HG21  ILE  22          HG21      ILE  22  -9.973   0.461   6.973
  146   HG22  ILE  22          HG22      ILE  22 -11.119  -0.784   7.472
  147   HG23  ILE  22          HG23      ILE  22 -11.546   0.342   6.183
  148   HD11  ILE  22          HD11      ILE  22  -8.201  -0.352   7.388
  149   HD12  ILE  22          HD12      ILE  22  -7.433  -0.527   5.810
  150   HD13  ILE  22          HD13      ILE  22  -7.058  -1.667   7.104
  151    H    LYS  23           HN       LYS  23 -13.616  -2.031   5.922
  152    HA   LYS  23           HA       LYS  23 -14.980  -1.120   3.682
  153    HB2  LYS  23           HB2      LYS  23 -15.871  -2.083   5.915
  154    HB3  LYS  23           HB1      LYS  23 -15.825  -0.416   6.467
  155    HG2  LYS  23           HG2      LYS  23 -17.368   0.256   4.756
  156    HG3  LYS  23           HG1      LYS  23 -17.334  -1.360   4.051
  157    HD2  LYS  23           HD2      LYS  23 -19.337  -1.154   5.351
  158    HD3  LYS  23           HD1      LYS  23 -18.242  -2.244   6.196
  159    HE2  LYS  23           HE2      LYS  23 -19.221  -0.770   7.804
  160    HE3  LYS  23           HE1      LYS  23 -17.528  -0.327   7.612
  161    HZ1  LYS  23           HZ1      LYS  23 -18.982   1.611   7.675
  162    HZ2  LYS  23           HZ2      LYS  23 -19.816   1.049   6.314
  163    HZ3  LYS  23           HZ3      LYS  23 -18.191   1.490   6.185
  164    H    GLY  24           HN       GLY  24 -15.214   0.803   2.763
  165    HA2  GLY  24           HA2      GLY  24 -15.429   3.200   2.868
  166    HA3  GLY  24           HA1      GLY  24 -14.335   3.192   4.244
  167    H    TYR  25           HN       TYR  25 -12.654   1.158   2.679
  168    HA   TYR  25           HA       TYR  25 -11.387   3.114   0.869
  169    HB2  TYR  25           HB2      TYR  25 -10.060   0.918   2.474
  170    HB3  TYR  25           HB1      TYR  25  -9.244   1.965   1.322
  171    HD1  TYR  25           HD1      TYR  25  -9.982   1.470   4.701
  172    HD2  TYR  25           HD2      TYR  25  -9.525   4.557   1.814
  173    HE1  TYR  25           HE1      TYR  25  -9.522   3.070   6.502
  174    HE2  TYR  25           HE2      TYR  25  -9.066   6.176   3.608
  175    HH   TYR  25           HH       TYR  25  -8.477   5.198   6.856
  176    H    LYS  26           HN       LYS  26 -10.366   2.285  -1.016
  177    HA   LYS  26           HA       LYS  26 -11.121  -0.452  -1.764
  178    HB2  LYS  26           HB2      LYS  26 -11.614   0.479  -4.088
  179    HB3  LYS  26           HB1      LYS  26 -12.817   0.766  -2.838
  180    HG2  LYS  26           HG2      LYS  26 -12.749   2.891  -3.497
  181    HG3  LYS  26           HG1      LYS  26 -11.195   2.979  -2.664
  182    HD2  LYS  26           HD2      LYS  26 -10.854   3.827  -4.853
  183    HD3  LYS  26           HD1      LYS  26 -10.126   2.221  -4.800
  184    HE2  LYS  26           HE2      LYS  26 -12.070   1.277  -5.904
  185    HE3  LYS  26           HE1      LYS  26 -12.863   2.850  -5.895
  186    HZ1  LYS  26           HZ1      LYS  26 -11.908   2.416  -8.043
  187    HZ2  LYS  26           HZ2      LYS  26 -10.384   2.142  -7.366
  188    HZ3  LYS  26           HZ3      LYS  26 -11.066   3.689  -7.312
  189    H    GLY  27           HN       GLY  27  -8.699   1.779  -1.414
  190    HA2  GLY  27           HA2      GLY  27  -6.911   0.099  -2.991
  191    HA3  GLY  27           HA1      GLY  27  -6.997   1.788  -3.460
  192    H    GLY  28           HN       GLY  28  -4.624   0.682  -2.710
  193    HA2  GLY  28           HA2      GLY  28  -3.819   2.453  -0.618
  194    HA3  GLY  28           HA1      GLY  28  -3.791   0.773  -0.094
  195    H    TYR  29           HN       TYR  29  -1.949   3.191  -1.473
  196    HA   TYR  29           HA       TYR  29  -0.140   1.242  -2.741
  197    HB2  TYR  29           HB2      TYR  29   0.125   2.608  -4.712
  198    HB3  TYR  29           HB1      TYR  29  -1.592   2.300  -4.488
  199    HD1  TYR  29           HD1      TYR  29  -2.833   4.181  -3.051
  200    HD2  TYR  29           HD2      TYR  29   0.767   4.762  -5.238
  201    HE1  TYR  29           HE1      TYR  29  -3.272   6.595  -3.123
  202    HE2  TYR  29           HE2      TYR  29   0.337   7.179  -5.318
  203    HH   TYR  29           HH       TYR  29  -1.511   8.729  -5.134
  204    H    CYS  30           HN       CYS  30   2.049   1.890  -2.868
  205    HA   CYS  30           HA       CYS  30   2.885   3.577  -0.697
  206    HB2  CYS  30           HB2      CYS  30   4.642   2.467  -2.891
  207    HB3  CYS  30           HB1      CYS  30   5.117   2.936  -1.267
  208    H    ALA  31           HN       ALA  31   2.528   5.710  -0.949
  209    HA   ALA  31           HA       ALA  31   3.066   6.929  -3.561
  210    HB1  ALA  31           HB1      ALA  31   0.885   7.383  -2.560
  211    HB2  ALA  31           HB2      ALA  31   1.833   8.862  -2.714
  212    HB3  ALA  31           HB3      ALA  31   1.673   8.078  -1.143
  213    H    LYS  32           HN       LYS  32   3.387   8.248  -0.291
  214    HA   LYS  32           HA       LYS  32   5.514   9.910  -1.031
  215    HB2  LYS  32           HB2      LYS  32   4.570   9.144   1.729
  216    HB3  LYS  32           HB1      LYS  32   5.624  10.496   1.349
  217    HG2  LYS  32           HG2      LYS  32   2.788  10.178   0.394
  218    HG3  LYS  32           HG1      LYS  32   3.313  11.202   1.731
  219    HD2  LYS  32           HD2      LYS  32   4.726  12.478   0.161
  220    HD3  LYS  32           HD1      LYS  32   4.123  11.480  -1.163
  221    HE2  LYS  32           HE2      LYS  32   2.954  13.640  -1.001
  222    HE3  LYS  32           HE1      LYS  32   1.871  12.268  -0.783
  223    HZ1  LYS  32           HZ1      LYS  32   1.911  12.615   1.580
  224    HZ2  LYS  32           HZ2      LYS  32   1.474  14.060   0.820
  225    HZ3  LYS  32           HZ3      LYS  32   3.042  13.866   1.427
  226    H    GLY  33           HN       GLY  33   7.507   9.313  -1.430
  227    HA2  GLY  33           HA2      GLY  33   9.621   8.515  -1.062
  228    HA3  GLY  33           HA1      GLY  33   9.104   8.053   0.549
  229    H    GLY  34           HN       GLY  34   7.034   6.653  -1.646
  230    HA2  GLY  34           HA2      GLY  34   6.785   4.476  -2.362
  231    HA3  GLY  34           HA1      GLY  34   8.534   4.312  -2.285
  232    H    PHE  35           HN       PHE  35   6.994   5.427   0.559
  233    HA   PHE  35           HA       PHE  35   7.181   2.733   1.735
  234    HB2  PHE  35           HB2      PHE  35   7.938   5.414   2.877
  235    HB3  PHE  35           HB1      PHE  35   7.574   4.051   3.923
  236    HD1  PHE  35           HD1      PHE  35   9.916   5.381   1.427
  237    HD2  PHE  35           HD2      PHE  35   9.106   2.251   4.193
  238    HE1  PHE  35           HE1      PHE  35  12.248   4.624   1.246
  239    HE2  PHE  35           HE2      PHE  35  11.438   1.485   4.015
  240    HZ   PHE  35           HZ       PHE  35  13.013   2.674   2.541
  241    H    VAL  36           HN       VAL  36   5.428   5.783   1.674
  242    HA   VAL  36           HA       VAL  36   3.553   4.904   3.687
  243    HB   VAL  36           HB       VAL  36   3.469   7.377   1.956
  244   HG11  VAL  36          HG11      VAL  36   1.904   8.234   3.641
  245   HG12  VAL  36          HG12      VAL  36   1.946   6.674   4.464
  246   HG13  VAL  36          HG13      VAL  36   1.276   6.796   2.835
  247   HG21  VAL  36          HG21      VAL  36   4.472   6.997   4.773
  248   HG22  VAL  36          HG22      VAL  36   4.328   8.541   3.934
  249   HG23  VAL  36          HG23      VAL  36   5.463   7.322   3.351
  250    H    CYS  37           HN       CYS  37   2.250   3.302   3.055
  251    HA   CYS  37           HA       CYS  37   1.006   3.207   0.491
  252    HB2  CYS  37           HB2      CYS  37   0.596   1.663   3.052
  253    HB3  CYS  37           HB1      CYS  37  -0.312   1.356   1.586
  254    H    LYS  38           HN       LYS  38  -0.158   5.094   0.221
  255    HA   LYS  38           HA       LYS  38  -2.055   5.973   2.194
  256    HB2  LYS  38           HB2      LYS  38  -0.943   7.486   0.496
  257    HB3  LYS  38           HB1      LYS  38  -1.992   6.772  -0.713
  258    HG2  LYS  38           HG2      LYS  38  -3.949   7.488   0.619
  259    HG3  LYS  38           HG1      LYS  38  -2.854   8.302   1.732
  260    HD2  LYS  38           HD2      LYS  38  -3.750   9.910   0.207
  261    HD3  LYS  38           HD1      LYS  38  -2.041   9.682  -0.165
  262    HE2  LYS  38           HE2      LYS  38  -2.643   8.191  -2.003
  263    HE3  LYS  38           HE1      LYS  38  -4.351   8.396  -1.621
  264    HZ1  LYS  38           HZ1      LYS  38  -2.512  10.562  -2.475
  265    HZ2  LYS  38           HZ2      LYS  38  -4.163  10.733  -2.156
  266    HZ3  LYS  38           HZ3      LYS  38  -3.648   9.795  -3.468
  267    H    CYS  39           HN       CYS  39  -4.248   5.760   2.131
  268    HA   CYS  39           HA       CYS  39  -5.229   3.722   0.261
  269    HB2  CYS  39           HB2      CYS  39  -5.843   3.906   3.217
  270    HB3  CYS  39           HB1      CYS  39  -6.580   2.764   2.094
  271    H    TYR  40           HN       TYR  40  -7.146   4.045  -0.631
  272    HA   TYR  40           HA       TYR  40  -8.596   6.476   0.127
  273    HB2  TYR  40           HB2      TYR  40  -8.964   6.821  -2.368
  274    HB3  TYR  40           HB1      TYR  40  -7.344   7.156  -1.772
  275    HD1  TYR  40           HD1      TYR  40  -5.472   5.891  -2.537
  276    HD2  TYR  40           HD2      TYR  40  -9.413   4.767  -3.663
  277    HE1  TYR  40           HE1      TYR  40  -4.548   4.348  -4.213
  278    HE2  TYR  40           HE2      TYR  40  -8.506   3.220  -5.336
  279    HH   TYR  40           HH       TYR  40  -5.174   2.382  -5.443
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   4.788  -6.977   7.384
    2    H2   GLY   1           HT2      GLY   1   3.636  -6.519   8.533
    3    H3   GLY   1           HT3      GLY   1   5.257  -6.091   8.743
    4    HA2  GLY   1           HA1      GLY   1   4.032  -4.181   8.005
    5    HA3  GLY   1           HA2      GLY   1   5.158  -4.698   6.759
    6    H    PHE   2           HN       PHE   2   3.458  -3.278   5.590
    7    HA   PHE   2           HA       PHE   2   1.111  -4.846   4.881
    8    HB2  PHE   2           HB2      PHE   2   1.645  -1.933   4.305
    9    HB3  PHE   2           HB1      PHE   2   0.124  -2.789   4.074
   10    HD1  PHE   2           HD1      PHE   2  -0.530  -4.149   6.385
   11    HD2  PHE   2           HD2      PHE   2   1.632  -0.497   6.077
   12    HE1  PHE   2           HE1      PHE   2  -1.207  -3.562   8.676
   13    HE2  PHE   2           HE2      PHE   2   0.961   0.097   8.370
   14    HZ   PHE   2           HZ       PHE   2  -0.459  -1.436   9.672
   15    H    GLY   3           HN       GLY   3   3.823  -5.339   3.883
   16    HA2  GLY   3           HA2      GLY   3   4.809  -5.960   1.916
   17    HA3  GLY   3           HA1      GLY   3   3.249  -5.722   1.141
   18    H    CYS   4           HN       CYS   4   5.004  -3.258   2.902
   19    HA   CYS   4           HA       CYS   4   5.469  -1.872   0.354
   20    HB2  CYS   4           HB2      CYS   4   3.599  -0.918   1.728
   21    HB3  CYS   4           HB1      CYS   4   4.775  -0.553   2.978
   22    H    ASN   5           HN       ASN   5   6.418  -0.689   3.517
   23    HA   ASN   5           HA       ASN   5   8.405  -0.339   4.526
   24    HB2  ASN   5           HB2      ASN   5   8.918  -2.919   3.092
   25    HB3  ASN   5           HB1      ASN   5  10.098  -2.217   4.196
   26   HD21  ASN   5          HD21      ASN   5   8.498  -4.723   4.288
   27   HD22  ASN   5          HD22      ASN   5   7.669  -4.674   5.802
   28    H    GLY   6           HN       GLY   6   7.998   0.703   1.677
   29    HA2  GLY   6           HA2      GLY   6   9.504   2.497   1.000
   30    HA3  GLY   6           HA1      GLY   6  10.844   1.409   1.315
   31    HA   PRO   7           HA       PRO   7   9.104   1.603  -3.195
   32    HB2  PRO   7           HB2      PRO   7  11.365   2.737  -4.301
   33    HB3  PRO   7           HB1      PRO   7   9.903   3.610  -3.851
   34    HG2  PRO   7           HG2      PRO   7  12.479   3.348  -2.390
   35    HG3  PRO   7           HG1      PRO   7  11.392   4.742  -2.510
   36    HD2  PRO   7           HD2      PRO   7  11.508   3.181  -0.310
   37    HD3  PRO   7           HD1      PRO   7  10.003   3.956  -0.841
   38    H    TRP   8           HN       TRP   8  12.133   0.693  -1.782
   39    HA   TRP   8           HA       TRP   8  13.108  -0.867  -3.956
   40    HB2  TRP   8           HB2      TRP   8  14.790  -1.645  -2.388
   41    HB3  TRP   8           HB1      TRP   8  14.556   0.088  -2.175
   42    HD1  TRP   8           HD1      TRP   8  12.813   0.719  -0.028
   43    HE1  TRP   8           HE1      TRP   8  12.722  -0.368   2.302
   44    HE3  TRP   8           HE3      TRP   8  15.185  -3.675  -1.099
   45    HZ2  TRP   8           HZ2      TRP   8  13.552  -2.770   3.521
   46    HZ3  TRP   8           HZ3      TRP   8  15.493  -5.317   0.703
   47    HH2  TRP   8           HH2      TRP   8  14.693  -4.873   2.967
   48    H    ASN   9           HN       ASN   9  10.641  -1.426  -1.701
   49    HA   ASN   9           HA       ASN   9  10.839  -4.334  -2.087
   50    HB2  ASN   9           HB2      ASN   9  11.816  -3.882   0.067
   51    HB3  ASN   9           HB1      ASN   9  10.455  -2.863   0.526
   52   HD21  ASN   9          HD21      ASN   9   8.550  -3.814   1.199
   53   HD22  ASN   9          HD22      ASN   9   8.433  -5.501   1.577
   54    H    GLU  10           HN       GLU  10   8.880  -1.537  -1.969
   55    HA   GLU  10           HA       GLU  10   6.500  -2.599  -0.987
   56    HB2  GLU  10           HB2      GLU  10   5.413  -0.632  -2.164
   57    HB3  GLU  10           HB1      GLU  10   6.651  -0.270  -0.976
   58    HG2  GLU  10           HG2      GLU  10   7.167   1.179  -2.670
   59    HG3  GLU  10           HG1      GLU  10   8.238  -0.176  -3.013
   60    H    ASP  11           HN       ASP  11   4.678  -3.353  -1.833
   61    HA   ASP  11           HA       ASP  11   4.621  -3.977  -4.704
   62    HB2  ASP  11           HB2      ASP  11   5.145  -6.057  -3.598
   63    HB3  ASP  11           HB1      ASP  11   3.882  -5.795  -2.398
   64    H    ASP  12           HN       ASP  12   2.774  -3.467  -5.684
   65    HA   ASP  12           HA       ASP  12   1.004  -1.704  -4.362
   66    HB2  ASP  12           HB2      ASP  12   0.917  -2.953  -7.107
   67    HB3  ASP  12           HB1      ASP  12  -0.283  -1.797  -6.543
   68    H    LEU  13           HN       LEU  13   0.909  -5.128  -4.879
   69    HA   LEU  13           HA       LEU  13  -1.942  -5.353  -4.791
   70    HB2  LEU  13           HB2      LEU  13   0.101  -6.963  -5.611
   71    HB3  LEU  13           HB1      LEU  13  -0.329  -7.699  -4.089
   72    HG   LEU  13           HG       LEU  13  -1.541  -8.845  -5.793
   73   HD11  LEU  13          HD11      LEU  13  -3.446  -6.913  -4.506
   74   HD12  LEU  13          HD12      LEU  13  -2.794  -8.361  -3.748
   75   HD13  LEU  13          HD13      LEU  13  -3.833  -8.502  -5.165
   76   HD21  LEU  13          HD21      LEU  13  -1.340  -7.144  -7.542
   77   HD22  LEU  13          HD22      LEU  13  -2.539  -6.153  -6.709
   78   HD23  LEU  13          HD23      LEU  13  -3.001  -7.716  -7.381
   79    H    ARG  14           HN       ARG  14   0.710  -6.027  -2.500
   80    HA   ARG  14           HA       ARG  14  -0.911  -6.866  -0.363
   81    HB2  ARG  14           HB2      ARG  14   1.844  -5.702  -0.484
   82    HB3  ARG  14           HB1      ARG  14   1.057  -5.888   1.066
   83    HG2  ARG  14           HG2      ARG  14   2.377  -7.783   0.776
   84    HG3  ARG  14           HG1      ARG  14   0.721  -8.303   0.469
   85    HD2  ARG  14           HD2      ARG  14   1.085  -8.615  -1.755
   86    HD3  ARG  14           HD1      ARG  14   2.340  -7.375  -1.834
   87    HE   ARG  14           HE       ARG  14   3.261  -9.438  -0.225
   88   HH11  ARG  14          HH11      ARG  14   2.482  -8.811  -3.569
   89   HH12  ARG  14          HH12      ARG  14   3.559 -10.024  -4.191
   90   HH21  ARG  14          HH21      ARG  14   4.721 -11.024  -1.034
   91   HH22  ARG  14          HH22      ARG  14   4.842 -11.275  -2.747
   92    H    CYS  15           HN       CYS  15   0.347  -3.617  -1.075
   93    HA   CYS  15           HA       CYS  15  -0.905  -2.304   1.064
   94    HB2  CYS  15           HB2      CYS  15   0.894  -1.338  -0.376
   95    HB3  CYS  15           HB1      CYS  15  -0.283  -1.158  -1.670
   96    H    HIS  16           HN       HIS  16  -2.011  -2.909  -2.259
   97    HA   HIS  16           HA       HIS  16  -4.512  -1.683  -2.120
   98    HB2  HIS  16           HB2      HIS  16  -3.697  -2.429  -4.239
   99    HB3  HIS  16           HB1      HIS  16  -3.530  -4.080  -3.670
  100    HD1  HIS  16           HD1      HIS  16  -6.218  -1.580  -4.593
  101    HD2  HIS  16           HD2      HIS  16  -5.690  -5.674  -4.134
  102    HE1  HIS  16           HE1      HIS  16  -8.367  -2.628  -5.366
  103    HE2  HIS  16           HE2      HIS  16  -7.920  -5.103  -5.306
  104    H    ASN  17           HN       ASN  17  -3.622  -5.047  -1.375
  105    HA   ASN  17           HA       ASN  17  -6.193  -5.936  -0.714
  106    HB2  ASN  17           HB2      ASN  17  -3.446  -6.910   0.028
  107    HB3  ASN  17           HB1      ASN  17  -4.895  -7.707   0.618
  108   HD21  ASN  17          HD21      ASN  17  -2.912  -8.865  -1.046
  109   HD22  ASN  17          HD22      ASN  17  -3.669  -9.281  -2.545
  110    H    HIS  18           HN       HIS  18  -3.595  -4.664   1.330
  111    HA   HIS  18           HA       HIS  18  -4.870  -4.925   3.798
  112    HB2  HIS  18           HB2      HIS  18  -2.555  -4.346   3.777
  113    HB3  HIS  18           HB1      HIS  18  -2.849  -2.915   2.798
  114    HD1  HIS  18           HD1      HIS  18  -4.040  -4.146   6.212
  115    HD2  HIS  18           HD2      HIS  18  -2.715  -0.698   4.306
  116    HE1  HIS  18           HE1      HIS  18  -4.086  -2.345   7.963
  117    HE2  HIS  18           HE2      HIS  18  -3.118  -0.317   6.830
  118    H    CYS  19           HN       CYS  19  -4.901  -2.209   1.517
  119    HA   CYS  19           HA       CYS  19  -6.465  -0.554   3.191
  120    HB2  CYS  19           HB2      CYS  19  -5.852  -0.405   0.245
  121    HB3  CYS  19           HB1      CYS  19  -6.691   0.858   1.144
  122    H    LYS  20           HN       LYS  20  -7.343  -2.732   0.508
  123    HA   LYS  20           HA       LYS  20 -10.064  -1.840   0.511
  124    HB2  LYS  20           HB2      LYS  20 -10.536  -3.630  -1.026
  125    HB3  LYS  20           HB1      LYS  20  -9.022  -2.869  -1.487
  126    HG2  LYS  20           HG2      LYS  20  -7.755  -4.690  -0.799
  127    HG3  LYS  20           HG1      LYS  20  -9.057  -5.342   0.199
  128    HD2  LYS  20           HD2      LYS  20 -10.355  -5.742  -1.901
  129    HD3  LYS  20           HD1      LYS  20  -8.926  -5.259  -2.815
  130    HE2  LYS  20           HE2      LYS  20  -7.668  -7.092  -1.972
  131    HE3  LYS  20           HE1      LYS  20  -8.910  -7.479  -0.786
  132    HZ1  LYS  20           HZ1      LYS  20 -10.397  -8.064  -2.610
  133    HZ2  LYS  20           HZ2      LYS  20  -8.991  -9.003  -2.632
  134    HZ3  LYS  20           HZ3      LYS  20  -9.173  -7.733  -3.727
  135    H    SER  21           HN       SER  21  -8.296  -3.864   2.568
  136    HA   SER  21           HA       SER  21 -10.549  -5.431   3.467
  137    HB2  SER  21           HB2      SER  21  -7.818  -5.012   4.712
  138    HB3  SER  21           HB1      SER  21  -9.017  -6.183   5.262
  139    HG   SER  21           HG       SER  21  -7.749  -6.116   2.712
  140    H    ILE  22           HN       ILE  22  -9.477  -2.294   3.866
  141    HA   ILE  22           HA       ILE  22 -10.787  -1.940   6.461
  142    HB   ILE  22           HB       ILE  22  -9.225   0.061   4.812
  143   HG12  ILE  22          HG12      ILE  22  -8.343  -1.475   7.266
  144   HG13  ILE  22          HG11      ILE  22  -7.840  -1.844   5.620
  145   HG21  ILE  22          HG21      ILE  22 -10.198   0.177   7.663
  146   HG22  ILE  22          HG22      ILE  22 -10.825   1.112   6.307
  147   HG23  ILE  22          HG23      ILE  22  -9.180   1.384   6.878
  148   HD11  ILE  22          HD11      ILE  22  -7.274   0.710   7.109
  149   HD12  ILE  22          HD12      ILE  22  -6.767   0.342   5.460
  150   HD13  ILE  22          HD13      ILE  22  -6.129  -0.600   6.809
  151    H    LYS  23           HN       LYS  23 -12.864  -1.282   6.480
  152    HA   LYS  23           HA       LYS  23 -14.272  -0.833   4.092
  153    HB2  LYS  23           HB2      LYS  23 -15.486  -1.737   5.889
  154    HB3  LYS  23           HB1      LYS  23 -14.994  -0.459   6.988
  155    HG2  LYS  23           HG2      LYS  23 -16.347   1.126   5.790
  156    HG3  LYS  23           HG1      LYS  23 -16.792  -0.096   4.603
  157    HD2  LYS  23           HD2      LYS  23 -17.361  -0.517   7.516
  158    HD3  LYS  23           HD1      LYS  23 -18.440   0.464   6.527
  159    HE2  LYS  23           HE2      LYS  23 -19.324  -1.742   6.552
  160    HE3  LYS  23           HE1      LYS  23 -18.632  -1.479   4.958
  161    HZ1  LYS  23           HZ1      LYS  23 -16.757  -2.804   5.523
  162    HZ2  LYS  23           HZ2      LYS  23 -18.133  -3.679   5.960
  163    HZ3  LYS  23           HZ3      LYS  23 -17.220  -2.901   7.146
  164    H    GLY  24           HN       GLY  24 -14.782   0.917   3.021
  165    HA2  GLY  24           HA2      GLY  24 -15.187   3.300   2.875
  166    HA3  GLY  24           HA1      GLY  24 -13.967   3.529   4.118
  167    H    TYR  25           HN       TYR  25 -12.342   1.383   2.656
  168    HA   TYR  25           HA       TYR  25 -11.298   3.158   0.543
  169    HB2  TYR  25           HB2      TYR  25  -9.831   1.165   2.283
  170    HB3  TYR  25           HB1      TYR  25  -9.108   2.020   0.927
  171    HD1  TYR  25           HD1      TYR  25  -9.466   2.015   4.389
  172    HD2  TYR  25           HD2      TYR  25  -9.412   4.680   1.074
  173    HE1  TYR  25           HE1      TYR  25  -8.815   3.852   5.884
  174    HE2  TYR  25           HE2      TYR  25  -8.763   6.525   2.563
  175    HH   TYR  25           HH       TYR  25  -7.725   6.001   5.789
  176    H    LYS  26           HN       LYS  26 -10.320   2.084  -1.318
  177    HA   LYS  26           HA       LYS  26 -11.392  -0.624  -1.752
  178    HB2  LYS  26           HB2      LYS  26 -11.757   0.008  -4.162
  179    HB3  LYS  26           HB1      LYS  26 -12.867   0.725  -3.010
  180    HG2  LYS  26           HG2      LYS  26 -10.455   2.237  -3.921
  181    HG3  LYS  26           HG1      LYS  26 -11.895   2.151  -4.937
  182    HD2  LYS  26           HD2      LYS  26 -13.208   2.976  -2.955
  183    HD3  LYS  26           HD1      LYS  26 -11.668   3.268  -2.147
  184    HE2  LYS  26           HE2      LYS  26 -12.456   5.316  -3.151
  185    HE3  LYS  26           HE1      LYS  26 -11.018   4.761  -3.999
  186    HZ1  LYS  26           HZ1      LYS  26 -12.474   3.820  -5.714
  187    HZ2  LYS  26           HZ2      LYS  26 -12.665   5.491  -5.564
  188    HZ3  LYS  26           HZ3      LYS  26 -13.824   4.447  -4.912
  189    H    GLY  27           HN       GLY  27  -8.722   1.525  -2.033
  190    HA2  GLY  27           HA2      GLY  27  -7.081  -0.716  -2.899
  191    HA3  GLY  27           HA1      GLY  27  -7.143   0.638  -4.018
  192    H    GLY  28           HN       GLY  28  -4.718   0.232  -3.329
  193    HA2  GLY  28           HA2      GLY  28  -4.062   2.440  -1.591
  194    HA3  GLY  28           HA1      GLY  28  -3.600   0.870  -0.954
  195    H    TYR  29           HN       TYR  29  -1.915   3.094  -1.700
  196    HA   TYR  29           HA       TYR  29  -0.038   1.590  -3.319
  197    HB2  TYR  29           HB2      TYR  29   0.479   3.617  -4.734
  198    HB3  TYR  29           HB1      TYR  29  -1.053   2.836  -5.087
  199    HD1  TYR  29           HD1      TYR  29  -3.027   4.071  -5.099
  200    HD2  TYR  29           HD2      TYR  29   0.422   5.723  -3.246
  201    HE1  TYR  29           HE1      TYR  29  -4.195   6.218  -4.858
  202    HE2  TYR  29           HE2      TYR  29  -0.738   7.878  -2.997
  203    HH   TYR  29           HH       TYR  29  -4.133   8.216  -3.623
  204    H    CYS  30           HN       CYS  30   2.115   2.139  -2.900
  205    HA   CYS  30           HA       CYS  30   2.532   3.530  -0.420
  206    HB2  CYS  30           HB2      CYS  30   4.495   2.248  -2.327
  207    HB3  CYS  30           HB1      CYS  30   4.926   2.948  -0.773
  208    H    ALA  31           HN       ALA  31   2.282   5.637  -0.521
  209    HA   ALA  31           HA       ALA  31   3.601   7.149  -2.664
  210    HB1  ALA  31           HB1      ALA  31   1.197   7.535  -2.420
  211    HB2  ALA  31           HB2      ALA  31   2.119   8.989  -2.045
  212    HB3  ALA  31           HB3      ALA  31   1.442   8.013  -0.741
  213    H    LYS  32           HN       LYS  32   3.822   9.585  -1.462
  214    HA   LYS  32           HA       LYS  32   5.308  10.839  -0.309
  215    HB2  LYS  32           HB2      LYS  32   4.533   8.871   1.837
  216    HB3  LYS  32           HB1      LYS  32   5.404  10.368   2.140
  217    HG2  LYS  32           HG2      LYS  32   2.616  10.102   1.030
  218    HG3  LYS  32           HG1      LYS  32   3.056  10.632   2.655
  219    HD2  LYS  32           HD2      LYS  32   4.267  12.547   1.641
  220    HD3  LYS  32           HD1      LYS  32   3.677  12.038   0.060
  221    HE2  LYS  32           HE2      LYS  32   1.373  12.316   0.837
  222    HE3  LYS  32           HE1      LYS  32   1.969  12.839   2.412
  223    HZ1  LYS  32           HZ1      LYS  32   3.101  14.689   1.258
  224    HZ2  LYS  32           HZ2      LYS  32   1.418  14.747   1.124
  225    HZ3  LYS  32           HZ3      LYS  32   2.349  14.222  -0.185
  226    H    GLY  33           HN       GLY  33   6.774   9.537  -1.910
  227    HA2  GLY  33           HA2      GLY  33   9.074   9.093  -2.062
  228    HA3  GLY  33           HA1      GLY  33   9.098   8.718  -0.344
  229    H    GLY  34           HN       GLY  34   6.512   7.105  -1.228
  230    HA2  GLY  34           HA2      GLY  34   6.116   4.992  -2.185
  231    HA3  GLY  34           HA1      GLY  34   7.844   4.807  -2.442
  232    H    PHE  35           HN       PHE  35   6.998   5.934   0.653
  233    HA   PHE  35           HA       PHE  35   7.657   3.291   1.746
  234    HB2  PHE  35           HB2      PHE  35   7.810   6.025   3.037
  235    HB3  PHE  35           HB1      PHE  35   8.236   4.514   3.827
  236    HD1  PHE  35           HD1      PHE  35   9.234   6.991   1.336
  237    HD2  PHE  35           HD2      PHE  35  10.289   3.364   3.294
  238    HE1  PHE  35           HE1      PHE  35  11.532   7.206   0.490
  239    HE2  PHE  35           HE2      PHE  35  12.588   3.577   2.452
  240    HZ   PHE  35           HZ       PHE  35  13.226   5.513   1.087
  241    H    VAL  36           HN       VAL  36   5.166   5.689   1.622
  242    HA   VAL  36           HA       VAL  36   3.824   4.538   3.960
  243    HB   VAL  36           HB       VAL  36   3.134   7.052   2.431
  244   HG11  VAL  36          HG11      VAL  36   1.749   7.591   4.375
  245   HG12  VAL  36          HG12      VAL  36   2.163   6.040   5.103
  246   HG13  VAL  36          HG13      VAL  36   1.226   6.091   3.610
  247   HG21  VAL  36          HG21      VAL  36   5.318   7.242   3.489
  248   HG22  VAL  36          HG22      VAL  36   4.631   6.721   5.028
  249   HG23  VAL  36          HG23      VAL  36   4.133   8.255   4.314
  250    H    CYS  37           HN       CYS  37   2.544   2.876   3.472
  251    HA   CYS  37           HA       CYS  37   1.178   2.532   1.004
  252    HB2  CYS  37           HB2      CYS  37   1.699   0.622   2.430
  253    HB3  CYS  37           HB1      CYS  37   0.730   1.292   3.734
  254    H    LYS  38           HN       LYS  38  -0.068   4.274   0.469
  255    HA   LYS  38           HA       LYS  38  -1.944   5.330   2.447
  256    HB2  LYS  38           HB2      LYS  38  -0.391   6.722   0.878
  257    HB3  LYS  38           HB1      LYS  38  -1.633   6.441  -0.321
  258    HG2  LYS  38           HG2      LYS  38  -2.165   7.684   2.368
  259    HG3  LYS  38           HG1      LYS  38  -1.762   8.619   0.934
  260    HD2  LYS  38           HD2      LYS  38  -4.095   6.720   1.072
  261    HD3  LYS  38           HD1      LYS  38  -4.218   8.433   1.471
  262    HE2  LYS  38           HE2      LYS  38  -3.277   7.342  -1.181
  263    HE3  LYS  38           HE1      LYS  38  -4.918   7.890  -0.848
  264    HZ1  LYS  38           HZ1      LYS  38  -3.595   9.598  -1.940
  265    HZ2  LYS  38           HZ2      LYS  38  -2.479   9.574  -0.673
  266    HZ3  LYS  38           HZ3      LYS  38  -4.060  10.096  -0.393
  267    H    CYS  39           HN       CYS  39  -4.052   5.154   2.270
  268    HA   CYS  39           HA       CYS  39  -5.017   3.166   0.343
  269    HB2  CYS  39           HB2      CYS  39  -6.205   4.067   2.974
  270    HB3  CYS  39           HB1      CYS  39  -6.824   2.769   1.958
  271    H    TYR  40           HN       TYR  40  -6.740   3.548  -0.984
  272    HA   TYR  40           HA       TYR  40  -8.047   6.159  -0.711
  273    HB2  TYR  40           HB2      TYR  40  -8.252   6.314  -3.156
  274    HB3  TYR  40           HB1      TYR  40  -6.577   6.298  -2.635
  275    HD1  TYR  40           HD1      TYR  40  -5.078   4.625  -3.404
  276    HD2  TYR  40           HD2      TYR  40  -9.233   4.291  -4.234
  277    HE1  TYR  40           HE1      TYR  40  -4.610   2.850  -5.037
  278    HE2  TYR  40           HE2      TYR  40  -8.775   2.518  -5.856
  279    HH   TYR  40           HH       TYR  40  -6.929   1.747  -7.260
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   5.864  -0.718   7.362
    2    H2   GLY   1           HT2      GLY   1   4.181  -0.591   7.262
    3    H3   GLY   1           HT3      GLY   1   5.143  -0.064   5.978
    4    HA2  GLY   1           HA1      GLY   1   5.883  -2.315   5.560
    5    HA3  GLY   1           HA2      GLY   1   4.904  -2.870   6.904
    6    H    PHE   2           HN       PHE   2   3.118  -3.804   6.299
    7    HA   PHE   2           HA       PHE   2   1.310  -4.471   5.109
    8    HB2  PHE   2           HB2      PHE   2   1.208  -1.561   4.288
    9    HB3  PHE   2           HB1      PHE   2  -0.103  -2.721   4.106
   10    HD1  PHE   2           HD1      PHE   2  -0.414  -4.079   6.513
   11    HD2  PHE   2           HD2      PHE   2   0.824  -0.047   5.956
   12    HE1  PHE   2           HE1      PHE   2  -1.224  -3.522   8.766
   13    HE2  PHE   2           HE2      PHE   2   0.015   0.518   8.209
   14    HZ   PHE   2           HZ       PHE   2  -1.000  -1.212   9.619
   15    H    GLY   3           HN       GLY   3   3.795  -4.872   3.903
   16    HA2  GLY   3           HA2      GLY   3   4.215  -5.931   1.829
   17    HA3  GLY   3           HA1      GLY   3   2.972  -4.933   1.096
   18    H    CYS   4           HN       CYS   4   4.092  -2.502   2.410
   19    HA   CYS   4           HA       CYS   4   6.111  -2.033   0.362
   20    HB2  CYS   4           HB2      CYS   4   4.219  -0.460   0.519
   21    HB3  CYS   4           HB1      CYS   4   4.698  -0.064   2.167
   22    H    ASN   5           HN       ASN   5   8.147  -2.352   0.894
   23    HA   ASN   5           HA       ASN   5   9.057  -1.396   3.524
   24    HB2  ASN   5           HB2      ASN   5   9.832  -3.986   2.169
   25    HB3  ASN   5           HB1      ASN   5  10.711  -3.298   3.529
   26   HD21  ASN   5          HD21      ASN   5   7.894  -4.994   2.508
   27   HD22  ASN   5          HD22      ASN   5   7.263  -5.320   4.086
   28    H    GLY   6           HN       GLY   6   9.086   0.011   1.079
   29    HA2  GLY   6           HA2      GLY   6  11.321   1.400   1.074
   30    HA3  GLY   6           HA1      GLY   6  11.875  -0.024   0.216
   31    HA   PRO   7           HA       PRO   7   9.829   3.021  -2.726
   32    HB2  PRO   7           HB2      PRO   7  12.023   4.029  -3.907
   33    HB3  PRO   7           HB1      PRO   7  11.394   4.690  -2.396
   34    HG2  PRO   7           HG2      PRO   7  13.664   2.785  -2.818
   35    HG3  PRO   7           HG1      PRO   7  13.577   4.195  -1.753
   36    HD2  PRO   7           HD2      PRO   7  13.221   1.654  -0.879
   37    HD3  PRO   7           HD1      PRO   7  12.457   3.062  -0.120
   38    H    TRP   8           HN       TRP   8  12.220   0.572  -2.839
   39    HA   TRP   8           HA       TRP   8  11.477  -0.091  -5.614
   40    HB2  TRP   8           HB2      TRP   8  13.627  -1.113  -5.909
   41    HB3  TRP   8           HB1      TRP   8  13.904   0.481  -5.217
   42    HD1  TRP   8           HD1      TRP   8  13.984   0.227  -2.261
   43    HE1  TRP   8           HE1      TRP   8  15.517  -1.395  -0.984
   44    HE3  TRP   8           HE3      TRP   8  14.915  -3.122  -6.009
   45    HZ2  TRP   8           HZ2      TRP   8  16.934  -3.781  -1.501
   46    HZ3  TRP   8           HZ3      TRP   8  16.373  -5.046  -5.535
   47    HH2  TRP   8           HH2      TRP   8  17.362  -5.366  -3.326
   48    H    ASN   9           HN       ASN   9  10.617  -0.786  -2.670
   49    HA   ASN   9           HA       ASN   9  10.129  -3.615  -3.213
   50    HB2  ASN   9           HB2      ASN   9  12.149  -3.476  -1.760
   51    HB3  ASN   9           HB1      ASN   9  11.209  -2.587  -0.569
   52   HD21  ASN   9          HD21      ASN   9  11.640  -4.182   0.978
   53   HD22  ASN   9          HD22      ASN   9  10.837  -5.714   0.962
   54    H    GLU  10           HN       GLU  10   8.400  -1.635  -3.656
   55    HA   GLU  10           HA       GLU  10   6.622  -1.501  -1.336
   56    HB2  GLU  10           HB2      GLU  10   5.597   0.099  -3.393
   57    HB3  GLU  10           HB1      GLU  10   6.384   0.639  -1.919
   58    HG2  GLU  10           HG2      GLU  10   7.492   1.719  -3.680
   59    HG3  GLU  10           HG1      GLU  10   8.574   0.421  -3.162
   60    H    ASP  11           HN       ASP  11   5.604  -3.464  -1.435
   61    HA   ASP  11           HA       ASP  11   4.504  -4.553  -3.811
   62    HB2  ASP  11           HB2      ASP  11   4.179  -5.144  -0.892
   63    HB3  ASP  11           HB1      ASP  11   3.104  -5.892  -2.065
   64    H    ASP  12           HN       ASP  12   3.188  -3.205  -4.869
   65    HA   ASP  12           HA       ASP  12   1.250  -1.504  -3.822
   66    HB2  ASP  12           HB2      ASP  12   1.252  -2.929  -6.494
   67    HB3  ASP  12           HB1      ASP  12   0.221  -1.567  -6.078
   68    H    LEU  13           HN       LEU  13   1.060  -4.908  -4.712
   69    HA   LEU  13           HA       LEU  13  -1.755  -5.102  -4.629
   70    HB2  LEU  13           HB2      LEU  13   0.270  -6.678  -5.489
   71    HB3  LEU  13           HB1      LEU  13  -0.162  -7.494  -4.009
   72    HG   LEU  13           HG       LEU  13  -1.380  -8.573  -5.725
   73   HD11  LEU  13          HD11      LEU  13  -3.694  -8.169  -5.168
   74   HD12  LEU  13          HD12      LEU  13  -3.273  -6.617  -4.449
   75   HD13  LEU  13          HD13      LEU  13  -2.694  -8.112  -3.718
   76   HD21  LEU  13          HD21      LEU  13  -1.091  -6.848  -7.441
   77   HD22  LEU  13          HD22      LEU  13  -2.314  -5.860  -6.644
   78   HD23  LEU  13          HD23      LEU  13  -2.757  -7.411  -7.349
   79    H    ARG  14           HN       ARG  14   0.773  -5.977  -2.275
   80    HA   ARG  14           HA       ARG  14  -0.883  -6.909  -0.235
   81    HB2  ARG  14           HB2      ARG  14   1.839  -5.736  -0.339
   82    HB3  ARG  14           HB1      ARG  14   1.046  -5.733   1.223
   83    HG2  ARG  14           HG2      ARG  14   2.259  -7.691   1.260
   84    HG3  ARG  14           HG1      ARG  14   0.654  -8.237   0.788
   85    HD2  ARG  14           HD2      ARG  14   2.654  -7.559  -1.316
   86    HD3  ARG  14           HD1      ARG  14   2.778  -9.094  -0.469
   87    HE   ARG  14           HE       ARG  14   0.205  -9.072  -1.255
   88   HH11  ARG  14          HH11      ARG  14   3.195  -8.418  -2.976
   89   HH12  ARG  14          HH12      ARG  14   2.624  -9.103  -4.471
   90   HH21  ARG  14          HH21      ARG  14  -0.530  -9.994  -3.236
   91   HH22  ARG  14          HH22      ARG  14   0.527  -9.996  -4.612
   92    H    CYS  15           HN       CYS  15   0.166  -3.591  -0.935
   93    HA   CYS  15           HA       CYS  15  -1.170  -2.387   1.252
   94    HB2  CYS  15           HB2      CYS  15   0.660  -1.313  -0.070
   95    HB3  CYS  15           HB1      CYS  15  -0.461  -1.132  -1.412
   96    H    HIS  16           HN       HIS  16  -2.100  -2.970  -2.120
   97    HA   HIS  16           HA       HIS  16  -4.656  -1.876  -2.120
   98    HB2  HIS  16           HB2      HIS  16  -3.783  -2.672  -4.186
   99    HB3  HIS  16           HB1      HIS  16  -3.488  -4.276  -3.534
  100    HD1  HIS  16           HD1      HIS  16  -6.417  -2.055  -4.509
  101    HD2  HIS  16           HD2      HIS  16  -5.471  -6.072  -4.021
  102    HE1  HIS  16           HE1      HIS  16  -8.470  -3.324  -5.202
  103    HE2  HIS  16           HE2      HIS  16  -7.812  -5.748  -5.074
  104    H    ASN  17           HN       ASN  17  -3.661  -5.171  -1.248
  105    HA   ASN  17           HA       ASN  17  -6.212  -6.120  -0.584
  106    HB2  ASN  17           HB2      ASN  17  -3.441  -7.005   0.197
  107    HB3  ASN  17           HB1      ASN  17  -4.879  -7.867   0.713
  108   HD21  ASN  17          HD21      ASN  17  -2.711  -8.773  -0.991
  109   HD22  ASN  17          HD22      ASN  17  -3.424  -9.220  -2.503
  110    H    HIS  18           HN       HIS  18  -3.726  -4.552   1.363
  111    HA   HIS  18           HA       HIS  18  -5.000  -4.843   3.856
  112    HB2  HIS  18           HB2      HIS  18  -2.701  -4.206   3.849
  113    HB3  HIS  18           HB1      HIS  18  -3.017  -2.815   2.821
  114    HD1  HIS  18           HD1      HIS  18  -4.119  -3.974   6.297
  115    HD2  HIS  18           HD2      HIS  18  -3.051  -0.529   4.229
  116    HE1  HIS  18           HE1      HIS  18  -4.235  -2.110   7.981
  117    HE2  HIS  18           HE2      HIS  18  -3.540  -0.041   6.723
  118    H    CYS  19           HN       CYS  19  -5.100  -2.185   1.491
  119    HA   CYS  19           HA       CYS  19  -6.764  -0.597   3.169
  120    HB2  CYS  19           HB2      CYS  19  -5.886  -0.321   0.312
  121    HB3  CYS  19           HB1      CYS  19  -6.977   0.831   1.077
  122    H    LYS  20           HN       LYS  20  -7.466  -2.938   0.635
  123    HA   LYS  20           HA       LYS  20 -10.187  -2.050   0.362
  124    HB2  LYS  20           HB2      LYS  20 -10.581  -4.016  -0.972
  125    HB3  LYS  20           HB1      LYS  20  -9.044  -3.310  -1.447
  126    HG2  LYS  20           HG2      LYS  20  -7.819  -5.016  -0.413
  127    HG3  LYS  20           HG1      LYS  20  -9.219  -5.584   0.501
  128    HD2  LYS  20           HD2      LYS  20 -10.288  -6.201  -1.667
  129    HD3  LYS  20           HD1      LYS  20  -8.778  -5.781  -2.477
  130    HE2  LYS  20           HE2      LYS  20  -8.961  -8.193  -2.077
  131    HE3  LYS  20           HE1      LYS  20  -7.599  -7.488  -1.210
  132    HZ1  LYS  20           HZ1      LYS  20  -8.874  -7.524   0.815
  133    HZ2  LYS  20           HZ2      LYS  20  -8.886  -9.070   0.138
  134    HZ3  LYS  20           HZ3      LYS  20 -10.247  -8.080   0.003
  135    H    SER  21           HN       SER  21  -8.504  -3.753   2.711
  136    HA   SER  21           HA       SER  21 -10.797  -5.194   3.724
  137    HB2  SER  21           HB2      SER  21  -8.060  -4.716   4.931
  138    HB3  SER  21           HB1      SER  21  -9.287  -5.796   5.591
  139    HG   SER  21           HG       SER  21  -7.712  -6.071   3.280
  140    H    ILE  22           HN       ILE  22  -9.519  -2.064   3.878
  141    HA   ILE  22           HA       ILE  22 -10.825  -1.383   6.389
  142    HB   ILE  22           HB       ILE  22  -9.399   0.454   4.454
  143   HG12  ILE  22          HG12      ILE  22  -8.293  -0.840   6.956
  144   HG13  ILE  22          HG11      ILE  22  -7.899  -1.337   5.313
  145   HG21  ILE  22          HG21      ILE  22 -10.148   0.792   7.357
  146   HG22  ILE  22          HG22      ILE  22 -10.919   1.586   5.982
  147   HG23  ILE  22          HG23      ILE  22  -9.242   1.954   6.387
  148   HD11  ILE  22          HD11      ILE  22  -6.168   0.077   6.311
  149   HD12  ILE  22          HD12      ILE  22  -7.347   1.379   6.483
  150   HD13  ILE  22          HD13      ILE  22  -6.885   0.814   4.878
  151    H    LYS  23           HN       LYS  23 -12.827  -0.546   6.457
  152    HA   LYS  23           HA       LYS  23 -14.430  -0.519   4.148
  153    HB2  LYS  23           HB2      LYS  23 -15.499  -1.032   6.166
  154    HB3  LYS  23           HB1      LYS  23 -14.878   0.398   6.975
  155    HG2  LYS  23           HG2      LYS  23 -16.312   1.804   5.659
  156    HG3  LYS  23           HG1      LYS  23 -16.874   0.423   4.721
  157    HD2  LYS  23           HD2      LYS  23 -17.284   0.821   7.685
  158    HD3  LYS  23           HD1      LYS  23 -18.499   1.094   6.438
  159    HE2  LYS  23           HE2      LYS  23 -17.177  -1.540   7.091
  160    HE3  LYS  23           HE1      LYS  23 -18.821  -1.070   7.514
  161    HZ1  LYS  23           HZ1      LYS  23 -17.776  -1.368   4.749
  162    HZ2  LYS  23           HZ2      LYS  23 -19.358  -0.948   5.169
  163    HZ3  LYS  23           HZ3      LYS  23 -18.762  -2.481   5.552
  164    H    GLY  24           HN       GLY  24 -14.979   1.002   2.796
  165    HA2  GLY  24           HA2      GLY  24 -15.448   3.290   2.217
  166    HA3  GLY  24           HA1      GLY  24 -14.241   3.792   3.392
  167    H    TYR  25           HN       TYR  25 -12.544   1.473   2.252
  168    HA   TYR  25           HA       TYR  25 -11.593   2.961  -0.106
  169    HB2  TYR  25           HB2      TYR  25  -9.917   1.288   1.772
  170    HB3  TYR  25           HB1      TYR  25  -9.334   2.253   0.423
  171    HD1  TYR  25           HD1      TYR  25 -10.024   2.218   3.927
  172    HD2  TYR  25           HD2      TYR  25  -9.700   4.783   0.555
  173    HE1  TYR  25           HE1      TYR  25  -9.741   4.148   5.428
  174    HE2  TYR  25           HE2      TYR  25  -9.417   6.718   2.036
  175    HH   TYR  25           HH       TYR  25  -9.944   7.374   4.321
  176    H    LYS  26           HN       LYS  26 -10.505   1.641  -1.745
  177    HA   LYS  26           HA       LYS  26 -11.430  -1.149  -1.736
  178    HB2  LYS  26           HB2      LYS  26 -11.747  -1.013  -4.173
  179    HB3  LYS  26           HB1      LYS  26 -12.811   0.080  -3.305
  180    HG2  LYS  26           HG2      LYS  26 -10.219   1.049  -4.441
  181    HG3  LYS  26           HG1      LYS  26 -11.642   0.872  -5.464
  182    HD2  LYS  26           HD2      LYS  26 -12.884   2.359  -3.922
  183    HD3  LYS  26           HD1      LYS  26 -11.401   2.591  -2.995
  184    HE2  LYS  26           HE2      LYS  26 -10.310   3.525  -4.973
  185    HE3  LYS  26           HE1      LYS  26 -11.787   3.287  -5.904
  186    HZ1  LYS  26           HZ1      LYS  26 -11.497   5.067  -3.544
  187    HZ2  LYS  26           HZ2      LYS  26 -12.917   4.833  -4.430
  188    HZ3  LYS  26           HZ3      LYS  26 -11.581   5.565  -5.158
  189    H    GLY  27           HN       GLY  27  -8.792   0.653  -1.474
  190    HA2  GLY  27           HA2      GLY  27  -6.923  -1.299  -1.834
  191    HA3  GLY  27           HA1      GLY  27  -7.073  -0.558  -3.421
  192    H    GLY  28           HN       GLY  28  -4.700  -0.163  -2.800
  193    HA2  GLY  28           HA2      GLY  28  -4.416   2.545  -1.940
  194    HA3  GLY  28           HA1      GLY  28  -3.856   1.412  -0.720
  195    H    TYR  29           HN       TYR  29  -2.052   3.083  -1.571
  196    HA   TYR  29           HA       TYR  29  -0.206   1.455  -3.131
  197    HB2  TYR  29           HB2      TYR  29   0.406   3.534  -4.489
  198    HB3  TYR  29           HB1      TYR  29  -1.107   2.747  -4.919
  199    HD1  TYR  29           HD1      TYR  29  -3.106   3.963  -4.945
  200    HD2  TYR  29           HD2      TYR  29   0.280   5.589  -2.948
  201    HE1  TYR  29           HE1      TYR  29  -4.310   6.084  -4.638
  202    HE2  TYR  29           HE2      TYR  29  -0.916   7.711  -2.632
  203    HH   TYR  29           HH       TYR  29  -4.288   8.023  -3.240
  204    H    CYS  30           HN       CYS  30   2.012   2.068  -2.738
  205    HA   CYS  30           HA       CYS  30   2.318   3.327  -0.161
  206    HB2  CYS  30           HB2      CYS  30   3.664   1.294  -1.076
  207    HB3  CYS  30           HB1      CYS  30   4.632   2.521  -1.889
  208    H    ALA  31           HN       ALA  31   2.743   5.361   0.183
  209    HA   ALA  31           HA       ALA  31   3.863   7.019  -1.970
  210    HB1  ALA  31           HB1      ALA  31   1.416   7.256  -1.984
  211    HB2  ALA  31           HB2      ALA  31   2.213   8.753  -1.515
  212    HB3  ALA  31           HB3      ALA  31   1.459   7.737  -0.289
  213    H    LYS  32           HN       LYS  32   3.636   9.455  -0.532
  214    HA   LYS  32           HA       LYS  32   4.871  10.745   0.868
  215    HB2  LYS  32           HB2      LYS  32   4.213   8.417   2.655
  216    HB3  LYS  32           HB1      LYS  32   5.134   9.789   3.243
  217    HG2  LYS  32           HG2      LYS  32   2.878  10.108   3.897
  218    HG3  LYS  32           HG1      LYS  32   3.205  11.250   2.596
  219    HD2  LYS  32           HD2      LYS  32   1.982   9.969   1.034
  220    HD3  LYS  32           HD1      LYS  32   1.937   8.569   2.104
  221    HE2  LYS  32           HE2      LYS  32  -0.223   9.728   2.015
  222    HE3  LYS  32           HE1      LYS  32   0.471   9.745   3.634
  223    HZ1  LYS  32           HZ1      LYS  32  -0.487  11.883   2.989
  224    HZ2  LYS  32           HZ2      LYS  32   0.608  12.000   1.706
  225    HZ3  LYS  32           HZ3      LYS  32   1.170  12.008   3.301
  226    H    GLY  33           HN       GLY  33   6.544   9.899  -0.841
  227    HA2  GLY  33           HA2      GLY  33   8.874   9.714  -1.004
  228    HA3  GLY  33           HA1      GLY  33   8.924   9.127   0.653
  229    H    GLY  34           HN       GLY  34   6.588   7.322  -0.316
  230    HA2  GLY  34           HA2      GLY  34   6.394   5.311  -1.540
  231    HA3  GLY  34           HA1      GLY  34   8.125   5.364  -1.850
  232    H    PHE  35           HN       PHE  35   6.508   5.740   1.272
  233    HA   PHE  35           HA       PHE  35   7.517   3.104   2.058
  234    HB2  PHE  35           HB2      PHE  35   7.962   5.646   3.645
  235    HB3  PHE  35           HB1      PHE  35   8.349   4.024   4.205
  236    HD1  PHE  35           HD1      PHE  35   9.371   6.805   2.118
  237    HD2  PHE  35           HD2      PHE  35  10.193   2.771   3.187
  238    HE1  PHE  35           HE1      PHE  35  11.604   6.995   1.106
  239    HE2  PHE  35           HE2      PHE  35  12.428   2.955   2.181
  240    HZ   PHE  35           HZ       PHE  35  13.138   5.083   1.145
  241    H    VAL  36           HN       VAL  36   4.992   5.326   2.061
  242    HA   VAL  36           HA       VAL  36   3.740   4.055   4.406
  243    HB   VAL  36           HB       VAL  36   3.061   6.721   3.152
  244   HG11  VAL  36          HG11      VAL  36   1.117   5.643   4.152
  245   HG12  VAL  36          HG12      VAL  36   1.622   7.039   5.106
  246   HG13  VAL  36          HG13      VAL  36   2.009   5.408   5.657
  247   HG21  VAL  36          HG21      VAL  36   5.209   6.784   4.297
  248   HG22  VAL  36          HG22      VAL  36   4.473   6.090   5.743
  249   HG23  VAL  36          HG23      VAL  36   3.995   7.697   5.193
  250    H    CYS  37           HN       CYS  37   2.356   2.512   3.846
  251    HA   CYS  37           HA       CYS  37   1.049   2.287   1.349
  252    HB2  CYS  37           HB2      CYS  37   1.370   0.335   2.749
  253    HB3  CYS  37           HB1      CYS  37   0.438   1.062   4.050
  254    H    LYS  38           HN       LYS  38  -0.314   3.792   0.633
  255    HA   LYS  38           HA       LYS  38  -2.153   5.039   2.562
  256    HB2  LYS  38           HB2      LYS  38  -0.367   6.453   1.429
  257    HB3  LYS  38           HB1      LYS  38  -1.273   6.255  -0.048
  258    HG2  LYS  38           HG2      LYS  38  -2.656   7.293   2.347
  259    HG3  LYS  38           HG1      LYS  38  -1.597   8.354   1.414
  260    HD2  LYS  38           HD2      LYS  38  -2.854   7.701  -0.630
  261    HD3  LYS  38           HD1      LYS  38  -3.977   6.811   0.403
  262    HE2  LYS  38           HE2      LYS  38  -4.386   8.915   1.637
  263    HE3  LYS  38           HE1      LYS  38  -3.388   9.741   0.448
  264    HZ1  LYS  38           HZ1      LYS  38  -5.809   9.881   0.005
  265    HZ2  LYS  38           HZ2      LYS  38  -5.838   8.203  -0.239
  266    HZ3  LYS  38           HZ3      LYS  38  -4.930   9.199  -1.265
  267    H    CYS  39           HN       CYS  39  -4.231   4.987   2.184
  268    HA   CYS  39           HA       CYS  39  -5.157   3.208   0.071
  269    HB2  CYS  39           HB2      CYS  39  -6.759   4.454   2.311
  270    HB3  CYS  39           HB1      CYS  39  -7.198   3.058   1.333
  271    H    TYR  40           HN       TYR  40  -6.949   3.780  -1.327
  272    HA   TYR  40           HA       TYR  40  -6.583   6.135  -2.710
  273    HB2  TYR  40           HB2      TYR  40  -9.091   4.471  -2.514
  274    HB3  TYR  40           HB1      TYR  40  -8.857   5.761  -3.683
  275    HD1  TYR  40           HD1      TYR  40  -6.410   5.465  -4.899
  276    HD2  TYR  40           HD2      TYR  40  -8.885   2.353  -3.399
  277    HE1  TYR  40           HE1      TYR  40  -5.334   3.887  -6.434
  278    HE2  TYR  40           HE2      TYR  40  -7.817   0.756  -4.940
  279    HH   TYR  40           HH       TYR  40  -4.952   1.509  -6.656
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   6.360   0.236   5.328
    2    H2   GLY   1           HT2      GLY   1   6.099  -1.066   4.285
    3    H3   GLY   1           HT3      GLY   1   6.376  -1.346   5.931
    4    HA2  GLY   1           HA1      GLY   1   4.308  -0.170   6.467
    5    HA3  GLY   1           HA2      GLY   1   4.017   0.006   4.743
    6    H    PHE   2           HN       PHE   2   2.066  -1.160   4.892
    7    HA   PHE   2           HA       PHE   2   1.993  -3.793   5.991
    8    HB2  PHE   2           HB2      PHE   2  -0.020  -2.278   4.330
    9    HB3  PHE   2           HB1      PHE   2  -0.321  -3.858   5.042
   10    HD1  PHE   2           HD1      PHE   2  -0.334  -4.086   7.534
   11    HD2  PHE   2           HD2      PHE   2  -0.231  -0.308   5.582
   12    HE1  PHE   2           HE1      PHE   2  -1.085  -2.992   9.609
   13    HE2  PHE   2           HE2      PHE   2  -0.978   0.787   7.650
   14    HZ   PHE   2           HZ       PHE   2  -1.429  -0.578   9.671
   15    H    GLY   3           HN       GLY   3   3.176  -2.638   3.161
   16    HA2  GLY   3           HA2      GLY   3   3.418  -5.258   2.016
   17    HA3  GLY   3           HA1      GLY   3   2.362  -4.195   1.089
   18    H    CYS   4           HN       CYS   4   3.405  -1.874   0.945
   19    HA   CYS   4           HA       CYS   4   5.857  -2.104  -0.465
   20    HB2  CYS   4           HB2      CYS   4   4.585   0.407   0.646
   21    HB3  CYS   4           HB1      CYS   4   5.743   0.303  -0.678
   22    H    ASN   5           HN       ASN   5   7.855  -2.156   0.327
   23    HA   ASN   5           HA       ASN   5   8.236  -1.463   3.162
   24    HB2  ASN   5           HB2      ASN   5   9.788  -3.247   1.285
   25    HB3  ASN   5           HB1      ASN   5  10.442  -2.729   2.831
   26   HD21  ASN   5          HD21      ASN   5   7.056  -3.478   2.273
   27   HD22  ASN   5          HD22      ASN   5   7.021  -4.898   3.258
   28    H    GLY   6           HN       GLY   6   8.430  -0.005   0.317
   29    HA2  GLY   6           HA2      GLY   6   9.517   2.264   0.500
   30    HA3  GLY   6           HA1      GLY   6  10.978   1.363   0.870
   31    HA   PRO   7           HA       PRO   7  10.509   2.335  -3.761
   32    HB2  PRO   7           HB2      PRO   7  13.166   3.096  -3.980
   33    HB3  PRO   7           HB1      PRO   7  11.805   4.195  -3.766
   34    HG2  PRO   7           HG2      PRO   7  13.705   3.115  -1.731
   35    HG3  PRO   7           HG1      PRO   7  13.025   4.746  -1.875
   36    HD2  PRO   7           HD2      PRO   7  12.085   3.015  -0.074
   37    HD3  PRO   7           HD1      PRO   7  10.993   4.115  -0.942
   38    H    TRP   8           HN       TRP   8  12.840   0.612  -1.834
   39    HA   TRP   8           HA       TRP   8  13.991  -0.894  -3.967
   40    HB2  TRP   8           HB2      TRP   8  15.090  -2.172  -2.222
   41    HB3  TRP   8           HB1      TRP   8  15.163  -0.460  -1.828
   42    HD1  TRP   8           HD1      TRP   8  12.742   0.186  -0.201
   43    HE1  TRP   8           HE1      TRP   8  12.136  -0.995   1.994
   44    HE3  TRP   8           HE3      TRP   8  15.387  -4.126  -0.864
   45    HZ2  TRP   8           HZ2      TRP   8  12.707  -3.438   3.279
   46    HZ3  TRP   8           HZ3      TRP   8  15.307  -5.833   0.899
   47    HH2  TRP   8           HH2      TRP   8  13.997  -5.495   2.925
   48    H    ASN   9           HN       ASN   9  11.058  -1.111  -2.269
   49    HA   ASN   9           HA       ASN   9  10.304  -3.555  -3.563
   50    HB2  ASN   9           HB2      ASN   9  11.575  -4.485  -1.680
   51    HB3  ASN   9           HB1      ASN   9  10.617  -3.537  -0.550
   52   HD21  ASN   9          HD21      ASN   9   9.973  -5.429   0.516
   53   HD22  ASN   9          HD22      ASN   9   8.776  -6.484  -0.146
   54    H    GLU  10           HN       GLU  10   8.776  -1.977  -4.331
   55    HA   GLU  10           HA       GLU  10   6.900  -0.926  -2.348
   56    HB2  GLU  10           HB2      GLU  10   7.078  -0.300  -5.301
   57    HB3  GLU  10           HB1      GLU  10   6.114   0.553  -4.106
   58    HG2  GLU  10           HG2      GLU  10   8.207   1.229  -2.962
   59    HG3  GLU  10           HG1      GLU  10   9.114   0.457  -4.264
   60    H    ASP  11           HN       ASP  11   6.139  -3.187  -2.062
   61    HA   ASP  11           HA       ASP  11   4.727  -4.478  -4.169
   62    HB2  ASP  11           HB2      ASP  11   5.693  -5.683  -2.214
   63    HB3  ASP  11           HB1      ASP  11   4.450  -4.953  -1.198
   64    H    ASP  12           HN       ASP  12   3.080  -3.456  -5.042
   65    HA   ASP  12           HA       ASP  12   1.383  -1.645  -3.669
   66    HB2  ASP  12           HB2      ASP  12   1.897  -1.541  -6.106
   67    HB3  ASP  12           HB1      ASP  12   0.946  -3.001  -6.340
   68    H    LEU  13           HN       LEU  13   1.253  -5.067  -4.300
   69    HA   LEU  13           HA       LEU  13  -1.536  -5.412  -4.271
   70    HB2  LEU  13           HB2      LEU  13   0.532  -6.983  -4.895
   71    HB3  LEU  13           HB1      LEU  13   0.213  -7.590  -3.290
   72    HG   LEU  13           HG       LEU  13  -0.932  -8.982  -4.895
   73   HD11  LEU  13          HD11      LEU  13  -3.184  -8.883  -4.097
   74   HD12  LEU  13          HD12      LEU  13  -2.945  -7.227  -3.538
   75   HD13  LEU  13          HD13      LEU  13  -2.062  -8.548  -2.779
   76   HD21  LEU  13          HD21      LEU  13  -2.547  -8.165  -6.458
   77   HD22  LEU  13          HD22      LEU  13  -1.062  -7.240  -6.681
   78   HD23  LEU  13          HD23      LEU  13  -2.423  -6.530  -5.810
   79    H    ARG  14           HN       ARG  14   0.835  -6.181  -1.685
   80    HA   ARG  14           HA       ARG  14  -1.031  -6.892   0.226
   81    HB2  ARG  14           HB2      ARG  14   1.795  -6.142   0.216
   82    HB3  ARG  14           HB1      ARG  14   0.975  -5.829   1.740
   83    HG2  ARG  14           HG2      ARG  14   1.937  -8.025   1.803
   84    HG3  ARG  14           HG1      ARG  14   0.183  -8.144   1.756
   85    HD2  ARG  14           HD2      ARG  14   1.062  -9.811   0.303
   86    HD3  ARG  14           HD1      ARG  14   0.320  -8.554  -0.682
   87    HE   ARG  14           HE       ARG  14   2.475  -7.821  -1.338
   88   HH11  ARG  14          HH11      ARG  14   2.534 -10.722   0.642
   89   HH12  ARG  14          HH12      ARG  14   4.112 -11.202   0.113
   90   HH21  ARG  14          HH21      ARG  14   4.537  -8.467  -2.051
   91   HH22  ARG  14          HH22      ARG  14   5.262  -9.911  -1.408
   92    H    CYS  15           HN       CYS  15   0.274  -3.624  -0.400
   93    HA   CYS  15           HA       CYS  15  -1.164  -2.348   1.656
   94    HB2  CYS  15           HB2      CYS  15  -0.104  -1.351  -0.988
   95    HB3  CYS  15           HB1      CYS  15  -0.791  -0.314   0.238
   96    H    HIS  16           HN       HIS  16  -1.866  -2.977  -1.744
   97    HA   HIS  16           HA       HIS  16  -4.344  -1.721  -1.985
   98    HB2  HIS  16           HB2      HIS  16  -2.937  -2.711  -3.826
   99    HB3  HIS  16           HB1      HIS  16  -3.464  -4.302  -3.310
  100    HD1  HIS  16           HD1      HIS  16  -4.765  -1.154  -4.940
  101    HD2  HIS  16           HD2      HIS  16  -5.880  -5.111  -4.301
  102    HE1  HIS  16           HE1      HIS  16  -6.822  -1.513  -6.343
  103    HE2  HIS  16           HE2      HIS  16  -7.406  -3.947  -6.036
  104    H    ASN  17           HN       ASN  17  -3.508  -4.949  -0.807
  105    HA   ASN  17           HA       ASN  17  -6.140  -5.903  -0.462
  106    HB2  ASN  17           HB2      ASN  17  -3.516  -6.670   0.808
  107    HB3  ASN  17           HB1      ASN  17  -5.020  -7.490   1.182
  108   HD21  ASN  17          HD21      ASN  17  -2.661  -8.600   0.025
  109   HD22  ASN  17          HD22      ASN  17  -3.084  -9.206  -1.542
  110    H    HIS  18           HN       HIS  18  -3.845  -4.458   1.838
  111    HA   HIS  18           HA       HIS  18  -5.409  -4.708   4.130
  112    HB2  HIS  18           HB2      HIS  18  -3.050  -4.122   4.264
  113    HB3  HIS  18           HB1      HIS  18  -3.353  -2.592   3.454
  114    HD1  HIS  18           HD1      HIS  18  -4.419  -4.347   6.672
  115    HD2  HIS  18           HD2      HIS  18  -3.726  -0.542   5.153
  116    HE1  HIS  18           HE1      HIS  18  -4.690  -2.778   8.623
  117    HE2  HIS  18           HE2      HIS  18  -4.279  -0.476   7.679
  118    H    CYS  19           HN       CYS  19  -5.278  -2.096   1.758
  119    HA   CYS  19           HA       CYS  19  -7.027  -0.386   3.197
  120    HB2  CYS  19           HB2      CYS  19  -6.258  -0.400   0.277
  121    HB3  CYS  19           HB1      CYS  19  -7.125   0.902   1.082
  122    H    LYS  20           HN       LYS  20  -7.561  -2.939   0.830
  123    HA   LYS  20           HA       LYS  20 -10.329  -2.331   0.434
  124    HB2  LYS  20           HB2      LYS  20  -8.772  -4.868  -0.022
  125    HB3  LYS  20           HB1      LYS  20 -10.463  -4.677  -0.443
  126    HG2  LYS  20           HG2      LYS  20  -9.765  -2.756  -1.905
  127    HG3  LYS  20           HG1      LYS  20  -8.097  -3.251  -1.617
  128    HD2  LYS  20           HD2      LYS  20 -10.278  -4.918  -2.872
  129    HD3  LYS  20           HD1      LYS  20  -8.899  -4.195  -3.701
  130    HE2  LYS  20           HE2      LYS  20  -7.368  -5.596  -2.481
  131    HE3  LYS  20           HE1      LYS  20  -8.683  -6.230  -1.493
  132    HZ1  LYS  20           HZ1      LYS  20  -8.459  -6.591  -4.430
  133    HZ2  LYS  20           HZ2      LYS  20  -9.618  -7.287  -3.413
  134    HZ3  LYS  20           HZ3      LYS  20  -7.999  -7.741  -3.283
  135    H    SER  21           HN       SER  21  -8.484  -4.228   2.699
  136    HA   SER  21           HA       SER  21 -10.597  -5.638   3.908
  137    HB2  SER  21           HB2      SER  21  -8.216  -6.198   4.244
  138    HB3  SER  21           HB1      SER  21  -7.983  -4.685   5.114
  139    HG   SER  21           HG       SER  21 -10.042  -6.111   6.158
  140    H    ILE  22           HN       ILE  22  -9.547  -2.359   4.113
  141    HA   ILE  22           HA       ILE  22 -11.184  -1.804   6.461
  142    HB   ILE  22           HB       ILE  22  -9.493   0.079   4.801
  143   HG12  ILE  22          HG12      ILE  22  -8.882  -1.221   7.465
  144   HG13  ILE  22          HG11      ILE  22  -8.163  -1.681   5.926
  145   HG21  ILE  22          HG21      ILE  22 -10.773   0.450   7.507
  146   HG22  ILE  22          HG22      ILE  22 -11.281   1.215   6.003
  147   HG23  ILE  22          HG23      ILE  22  -9.711   1.605   6.704
  148   HD11  ILE  22          HD11      ILE  22  -7.151   0.539   5.747
  149   HD12  ILE  22          HD12      ILE  22  -6.648  -0.303   7.214
  150   HD13  ILE  22          HD13      ILE  22  -7.858   0.979   7.301
  151    H    LYS  23           HN       LYS  23 -13.198  -1.069   6.292
  152    HA   LYS  23           HA       LYS  23 -14.557  -0.834   3.860
  153    HB2  LYS  23           HB2      LYS  23 -15.499  -1.246   6.210
  154    HB3  LYS  23           HB1      LYS  23 -15.392   0.494   6.419
  155    HG2  LYS  23           HG2      LYS  23 -16.904   0.853   4.578
  156    HG3  LYS  23           HG1      LYS  23 -16.958  -0.881   4.270
  157    HD2  LYS  23           HD2      LYS  23 -18.940  -0.147   5.493
  158    HD3  LYS  23           HD1      LYS  23 -17.967  -1.248   6.465
  159    HE2  LYS  23           HE2      LYS  23 -18.759   0.601   7.820
  160    HE3  LYS  23           HE1      LYS  23 -17.006   0.669   7.658
  161    HZ1  LYS  23           HZ1      LYS  23 -18.060   2.843   7.407
  162    HZ2  LYS  23           HZ2      LYS  23 -18.923   2.284   6.068
  163    HZ3  LYS  23           HZ3      LYS  23 -17.238   2.388   6.003
  164    H    GLY  24           HN       GLY  24 -14.867   0.819   2.511
  165    HA2  GLY  24           HA2      GLY  24 -15.233   3.199   2.162
  166    HA3  GLY  24           HA1      GLY  24 -13.982   3.500   3.359
  167    H    TYR  25           HN       TYR  25 -12.097   1.579   2.378
  168    HA   TYR  25           HA       TYR  25 -11.177   3.142   0.070
  169    HB2  TYR  25           HB2      TYR  25  -9.568   1.338   1.887
  170    HB3  TYR  25           HB1      TYR  25  -8.931   2.410   0.645
  171    HD1  TYR  25           HD1      TYR  25  -9.376   2.071   4.062
  172    HD2  TYR  25           HD2      TYR  25  -9.801   4.954   0.962
  173    HE1  TYR  25           HE1      TYR  25  -9.194   3.877   5.722
  174    HE2  TYR  25           HE2      TYR  25  -9.616   6.765   2.612
  175    HH   TYR  25           HH       TYR  25  -8.501   6.301   5.733
  176    H    LYS  26           HN       LYS  26 -10.011   2.026  -1.646
  177    HA   LYS  26           HA       LYS  26 -10.882  -0.770  -1.967
  178    HB2  LYS  26           HB2      LYS  26 -11.244  -0.225  -4.411
  179    HB3  LYS  26           HB1      LYS  26 -12.430   0.431  -3.290
  180    HG2  LYS  26           HG2      LYS  26 -12.101   2.323  -4.433
  181    HG3  LYS  26           HG1      LYS  26 -10.655   2.474  -3.434
  182    HD2  LYS  26           HD2      LYS  26  -9.929   2.812  -5.646
  183    HD3  LYS  26           HD1      LYS  26  -9.455   1.161  -5.243
  184    HE2  LYS  26           HE2      LYS  26 -10.385   1.166  -7.450
  185    HE3  LYS  26           HE1      LYS  26 -11.519   0.358  -6.370
  186    HZ1  LYS  26           HZ1      LYS  26 -11.726   3.188  -7.238
  187    HZ2  LYS  26           HZ2      LYS  26 -12.847   2.346  -6.291
  188    HZ3  LYS  26           HZ3      LYS  26 -12.606   1.906  -7.903
  189    H    GLY  27           HN       GLY  27  -8.289   1.095  -1.625
  190    HA2  GLY  27           HA2      GLY  27  -6.483  -0.874  -2.429
  191    HA3  GLY  27           HA1      GLY  27  -6.577   0.306  -3.730
  192    H    GLY  28           HN       GLY  28  -4.172   0.065  -2.678
  193    HA2  GLY  28           HA2      GLY  28  -3.765   2.602  -1.358
  194    HA3  GLY  28           HA1      GLY  28  -3.352   1.204  -0.376
  195    H    TYR  29           HN       TYR  29  -1.972   3.478  -2.119
  196    HA   TYR  29           HA       TYR  29  -0.013   1.724  -3.440
  197    HB2  TYR  29           HB2      TYR  29   0.671   3.745  -4.695
  198    HB3  TYR  29           HB1      TYR  29  -1.033   3.374  -4.924
  199    HD1  TYR  29           HD1      TYR  29  -2.762   4.792  -3.855
  200    HD2  TYR  29           HD2      TYR  29   1.370   5.758  -3.626
  201    HE1  TYR  29           HE1      TYR  29  -3.340   7.087  -3.189
  202    HE2  TYR  29           HE2      TYR  29   0.806   8.052  -2.959
  203    HH   TYR  29           HH       TYR  29  -2.244   8.979  -1.941
  204    H    CYS  30           HN       CYS  30   2.282   2.681  -3.406
  205    HA   CYS  30           HA       CYS  30   2.967   2.970  -0.611
  206    HB2  CYS  30           HB2      CYS  30   5.066   3.083  -2.716
  207    HB3  CYS  30           HB1      CYS  30   5.064   2.251  -1.172
  208    H    ALA  31           HN       ALA  31   2.543   4.983   0.086
  209    HA   ALA  31           HA       ALA  31   3.619   7.255  -1.435
  210    HB1  ALA  31           HB1      ALA  31   1.643   7.240   0.841
  211    HB2  ALA  31           HB2      ALA  31   1.229   7.339  -0.870
  212    HB3  ALA  31           HB3      ALA  31   2.135   8.643  -0.104
  213    H    LYS  32           HN       LYS  32   4.114   9.128   0.325
  214    HA   LYS  32           HA       LYS  32   5.650   9.936   1.784
  215    HB2  LYS  32           HB2      LYS  32   4.755   7.455   3.223
  216    HB3  LYS  32           HB1      LYS  32   5.927   8.553   3.928
  217    HG2  LYS  32           HG2      LYS  32   3.821   9.106   4.847
  218    HG3  LYS  32           HG1      LYS  32   4.209  10.374   3.685
  219    HD2  LYS  32           HD2      LYS  32   2.742   9.342   2.044
  220    HD3  LYS  32           HD1      LYS  32   2.403   8.016   3.155
  221    HE2  LYS  32           HE2      LYS  32   0.574   9.584   3.193
  222    HE3  LYS  32           HE1      LYS  32   1.419   9.631   4.737
  223    HZ1  LYS  32           HZ1      LYS  32   0.856  11.844   3.899
  224    HZ2  LYS  32           HZ2      LYS  32   1.813  11.577   2.530
  225    HZ3  LYS  32           HZ3      LYS  32   2.526  11.640   4.063
  226    H    GLY  33           HN       GLY  33   6.784   8.711  -0.376
  227    HA2  GLY  33           HA2      GLY  33   9.097   8.385  -0.812
  228    HA3  GLY  33           HA1      GLY  33   9.282   7.720   0.804
  229    H    GLY  34           HN       GLY  34   6.557   6.348  -0.250
  230    HA2  GLY  34           HA2      GLY  34   6.130   4.464  -1.632
  231    HA3  GLY  34           HA1      GLY  34   7.864   4.209  -1.772
  232    H    PHE  35           HN       PHE  35   6.610   4.906   1.349
  233    HA   PHE  35           HA       PHE  35   7.166   2.121   2.098
  234    HB2  PHE  35           HB2      PHE  35   7.318   4.641   3.767
  235    HB3  PHE  35           HB1      PHE  35   7.600   3.019   4.382
  236    HD1  PHE  35           HD1      PHE  35   8.887   5.641   2.141
  237    HD2  PHE  35           HD2      PHE  35   9.688   1.939   4.077
  238    HE1  PHE  35           HE1      PHE  35  11.260   5.836   1.526
  239    HE2  PHE  35           HE2      PHE  35  12.063   2.131   3.470
  240    HZ   PHE  35           HZ       PHE  35  12.867   4.099   2.262
  241    H    VAL  36           HN       VAL  36   4.911   4.786   2.513
  242    HA   VAL  36           HA       VAL  36   3.300   3.232   4.384
  243    HB   VAL  36           HB       VAL  36   3.065   6.101   3.463
  244   HG11  VAL  36          HG11      VAL  36   1.400   6.374   5.233
  245   HG12  VAL  36          HG12      VAL  36   1.478   4.646   5.576
  246   HG13  VAL  36          HG13      VAL  36   0.864   5.209   4.021
  247   HG21  VAL  36          HG21      VAL  36   3.800   6.639   5.735
  248   HG22  VAL  36          HG22      VAL  36   5.002   5.674   4.879
  249   HG23  VAL  36          HG23      VAL  36   3.964   4.920   6.088
  250    H    CYS  37           HN       CYS  37   1.611   2.089   3.738
  251    HA   CYS  37           HA       CYS  37   0.600   2.120   1.093
  252    HB2  CYS  37           HB2      CYS  37  -0.686   0.988   3.585
  253    HB3  CYS  37           HB1      CYS  37  -0.996   0.511   1.933
  254    H    LYS  38           HN       LYS  38  -0.149   4.253   0.631
  255    HA   LYS  38           HA       LYS  38  -2.129   5.413   2.406
  256    HB2  LYS  38           HB2      LYS  38  -0.309   6.526   0.767
  257    HB3  LYS  38           HB1      LYS  38  -1.733   6.641  -0.236
  258    HG2  LYS  38           HG2      LYS  38  -1.424   7.732   2.553
  259    HG3  LYS  38           HG1      LYS  38  -1.383   8.668   1.061
  260    HD2  LYS  38           HD2      LYS  38  -3.776   6.999   1.397
  261    HD3  LYS  38           HD1      LYS  38  -3.596   8.276   2.599
  262    HE2  LYS  38           HE2      LYS  38  -4.860   9.202   0.834
  263    HE3  LYS  38           HE1      LYS  38  -3.238   9.867   0.683
  264    HZ1  LYS  38           HZ1      LYS  38  -2.776   8.374  -1.105
  265    HZ2  LYS  38           HZ2      LYS  38  -4.228   9.173  -1.442
  266    HZ3  LYS  38           HZ3      LYS  38  -4.256   7.575  -0.896
  267    H    CYS  39           HN       CYS  39  -4.121   5.063   2.268
  268    HA   CYS  39           HA       CYS  39  -5.128   3.289   0.220
  269    HB2  CYS  39           HB2      CYS  39  -6.471   4.372   2.701
  270    HB3  CYS  39           HB1      CYS  39  -7.109   3.105   1.659
  271    H    TYR  40           HN       TYR  40  -6.948   3.647  -1.043
  272    HA   TYR  40           HA       TYR  40  -7.992   6.375  -1.175
  273    HB2  TYR  40           HB2      TYR  40  -7.894   6.232  -3.699
  274    HB3  TYR  40           HB1      TYR  40  -6.340   6.422  -2.901
  275    HD1  TYR  40           HD1      TYR  40  -4.612   4.902  -3.279
  276    HD2  TYR  40           HD2      TYR  40  -8.560   3.891  -4.484
  277    HE1  TYR  40           HE1      TYR  40  -3.737   2.939  -4.470
  278    HE2  TYR  40           HE2      TYR  40  -7.703   1.917  -5.672
  279    HH   TYR  40           HH       TYR  40  -5.492   1.214  -6.720
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   5.614  -0.947   7.984
    2    H2   GLY   1           HT2      GLY   1   6.655  -0.043   7.009
    3    H3   GLY   1           HT3      GLY   1   6.533  -1.714   6.788
    4    HA2  GLY   1           HA1      GLY   1   4.378   0.263   6.303
    5    HA3  GLY   1           HA2      GLY   1   5.332  -0.536   5.060
    6    H    PHE   2           HN       PHE   2   2.515  -0.653   5.203
    7    HA   PHE   2           HA       PHE   2   1.702  -3.085   6.457
    8    HB2  PHE   2           HB2      PHE   2   0.226  -1.433   4.404
    9    HB3  PHE   2           HB1      PHE   2  -0.479  -2.668   5.443
   10    HD1  PHE   2           HD1      PHE   2  -0.233  -2.268   7.999
   11    HD2  PHE   2           HD2      PHE   2   0.145   0.778   5.050
   12    HE1  PHE   2           HE1      PHE   2  -0.711  -0.561   9.706
   13    HE2  PHE   2           HE2      PHE   2  -0.331   2.490   6.751
   14    HZ   PHE   2           HZ       PHE   2  -0.795   1.829   9.064
   15    H    GLY   3           HN       GLY   3   3.313  -2.376   3.671
   16    HA2  GLY   3           HA2      GLY   3   3.386  -5.062   2.783
   17    HA3  GLY   3           HA1      GLY   3   2.363  -4.088   1.730
   18    H    CYS   4           HN       CYS   4   3.496  -1.781   1.432
   19    HA   CYS   4           HA       CYS   4   5.982  -2.288   0.087
   20    HB2  CYS   4           HB2      CYS   4   4.650   0.375   0.609
   21    HB3  CYS   4           HB1      CYS   4   5.843   0.010  -0.632
   22    H    ASN   5           HN       ASN   5   7.990  -1.865   0.801
   23    HA   ASN   5           HA       ASN   5   8.303  -0.350   3.296
   24    HB2  ASN   5           HB2      ASN   5   9.413  -3.109   2.743
   25    HB3  ASN   5           HB1      ASN   5  10.031  -2.063   4.015
   26   HD21  ASN   5          HD21      ASN   5   7.369  -4.024   2.954
   27   HD22  ASN   5          HD22      ASN   5   6.541  -4.074   4.469
   28    H    GLY   6           HN       GLY   6   8.734   0.662   0.792
   29    HA2  GLY   6           HA2      GLY   6  10.679   2.205   0.570
   30    HA3  GLY   6           HA1      GLY   6  11.684   0.766   0.672
   31    HA   PRO   7           HA       PRO   7  10.315   1.999  -3.755
   32    HB2  PRO   7           HB2      PRO   7  12.788   2.696  -4.683
   33    HB3  PRO   7           HB1      PRO   7  11.637   3.841  -3.996
   34    HG2  PRO   7           HG2      PRO   7  13.986   2.518  -2.702
   35    HG3  PRO   7           HG1      PRO   7  13.446   4.204  -2.587
   36    HD2  PRO   7           HD2      PRO   7  12.943   2.412  -0.644
   37    HD3  PRO   7           HD1      PRO   7  11.786   3.695  -1.056
   38    H    TRP   8           HN       TRP   8  12.868   0.139  -2.351
   39    HA   TRP   8           HA       TRP   8  13.366  -1.407  -4.752
   40    HB2  TRP   8           HB2      TRP   8  15.063  -2.533  -3.467
   41    HB3  TRP   8           HB1      TRP   8  15.177  -0.810  -3.126
   42    HD1  TRP   8           HD1      TRP   8  13.764  -0.091  -0.724
   43    HE1  TRP   8           HE1      TRP   8  13.827  -1.339   1.526
   44    HE3  TRP   8           HE3      TRP   8  15.403  -4.647  -2.370
   45    HZ2  TRP   8           HZ2      TRP   8  14.487  -3.914   2.474
   46    HZ3  TRP   8           HZ3      TRP   8  15.726  -6.448  -0.725
   47    HH2  TRP   8           HH2      TRP   8  15.277  -6.086   1.646
   48    H    ASN   9           HN       ASN   9  11.068  -1.428  -2.343
   49    HA   ASN   9           HA       ASN   9  10.184  -4.099  -2.977
   50    HB2  ASN   9           HB2      ASN   9  11.771  -4.643  -1.224
   51    HB3  ASN   9           HB1      ASN   9  11.107  -3.393  -0.178
   52   HD21  ASN   9          HD21      ASN   9  10.687  -4.880   1.454
   53   HD22  ASN   9          HD22      ASN   9   9.375  -6.005   1.357
   54    H    GLU  10           HN       GLU  10   8.442  -2.788  -3.773
   55    HA   GLU  10           HA       GLU  10   6.816  -1.550  -1.674
   56    HB2  GLU  10           HB2      GLU  10   6.552  -1.226  -4.668
   57    HB3  GLU  10           HB1      GLU  10   5.638  -0.364  -3.449
   58    HG2  GLU  10           HG2      GLU  10   7.733   0.647  -2.636
   59    HG3  GLU  10           HG1      GLU  10   8.600  -0.169  -3.937
   60    H    ASP  11           HN       ASP  11   5.916  -3.053  -4.764
   61    HA   ASP  11           HA       ASP  11   4.270  -4.470  -5.356
   62    HB2  ASP  11           HB2      ASP  11   5.401  -6.091  -3.870
   63    HB3  ASP  11           HB1      ASP  11   4.421  -5.516  -2.522
   64    H    ASP  12           HN       ASP  12   2.652  -3.173  -5.792
   65    HA   ASP  12           HA       ASP  12   1.177  -1.630  -3.965
   66    HB2  ASP  12           HB2      ASP  12   1.367  -1.201  -6.413
   67    HB3  ASP  12           HB1      ASP  12   0.342  -2.597  -6.710
   68    H    LEU  13           HN       LEU  13   0.914  -4.955  -4.889
   69    HA   LEU  13           HA       LEU  13  -1.850  -5.336  -4.550
   70    HB2  LEU  13           HB2      LEU  13   0.257  -6.828  -5.427
   71    HB3  LEU  13           HB1      LEU  13  -0.081  -7.580  -3.893
   72    HG   LEU  13           HG       LEU  13  -1.303  -8.847  -5.440
   73   HD11  LEU  13          HD11      LEU  13  -2.668  -8.229  -3.519
   74   HD12  LEU  13          HD12      LEU  13  -3.645  -8.441  -4.973
   75   HD13  LEU  13          HD13      LEU  13  -3.264  -6.820  -4.395
   76   HD21  LEU  13          HD21      LEU  13  -2.706  -7.902  -7.192
   77   HD22  LEU  13          HD22      LEU  13  -1.038  -7.346  -7.343
   78   HD23  LEU  13          HD23      LEU  13  -2.268  -6.275  -6.673
   79    H    ARG  14           HN       ARG  14   0.910  -5.805  -2.353
   80    HA   ARG  14           HA       ARG  14  -0.408  -6.866  -0.145
   81    HB2  ARG  14           HB2      ARG  14   1.893  -4.897  -0.171
   82    HB3  ARG  14           HB1      ARG  14   1.380  -5.815   1.232
   83    HG2  ARG  14           HG2      ARG  14   2.362  -7.041  -1.332
   84    HG3  ARG  14           HG1      ARG  14   3.361  -6.749   0.094
   85    HD2  ARG  14           HD2      ARG  14   0.891  -8.475   0.023
   86    HD3  ARG  14           HD1      ARG  14   2.545  -9.072  -0.045
   87    HE   ARG  14           HE       ARG  14   1.727  -7.457   2.259
   88   HH11  ARG  14          HH11      ARG  14   2.551 -10.584   0.931
   89   HH12  ARG  14          HH12      ARG  14   2.846 -11.307   2.478
   90   HH21  ARG  14          HH21      ARG  14   2.096  -8.402   4.301
   91   HH22  ARG  14          HH22      ARG  14   2.595 -10.062   4.400
   92    H    CYS  15           HN       CYS  15   0.359  -3.425  -0.633
   93    HA   CYS  15           HA       CYS  15  -1.131  -2.577   1.583
   94    HB2  CYS  15           HB2      CYS  15   0.002  -1.143  -0.808
   95    HB3  CYS  15           HB1      CYS  15  -0.777  -0.320   0.529
   96    H    HIS  16           HN       HIS  16  -1.952  -2.969  -1.815
   97    HA   HIS  16           HA       HIS  16  -4.514  -1.821  -1.750
   98    HB2  HIS  16           HB2      HIS  16  -3.658  -2.438  -3.876
   99    HB3  HIS  16           HB1      HIS  16  -3.307  -4.076  -3.350
  100    HD1  HIS  16           HD1      HIS  16  -6.311  -1.879  -4.110
  101    HD2  HIS  16           HD2      HIS  16  -5.234  -5.886  -3.944
  102    HE1  HIS  16           HE1      HIS  16  -8.310  -3.149  -4.944
  103    HE2  HIS  16           HE2      HIS  16  -7.530  -5.542  -5.074
  104    H    ASN  17           HN       ASN  17  -3.491  -5.180  -1.173
  105    HA   ASN  17           HA       ASN  17  -5.971  -6.255  -0.501
  106    HB2  ASN  17           HB2      ASN  17  -3.136  -6.996   0.058
  107    HB3  ASN  17           HB1      ASN  17  -4.401  -7.840   0.933
  108   HD21  ASN  17          HD21      ASN  17  -2.535  -8.857  -1.047
  109   HD22  ASN  17          HD22      ASN  17  -3.491  -9.504  -2.333
  110    H    HIS  18           HN       HIS  18  -3.601  -4.583   1.458
  111    HA   HIS  18           HA       HIS  18  -4.818  -4.838   3.958
  112    HB2  HIS  18           HB2      HIS  18  -2.617  -3.906   3.848
  113    HB3  HIS  18           HB1      HIS  18  -3.136  -2.654   2.736
  114    HD1  HIS  18           HD1      HIS  18  -2.526  -0.626   4.130
  115    HD2  HIS  18           HD2      HIS  18  -4.959  -3.327   6.075
  116    HE1  HIS  18           HE1      HIS  18  -3.218   0.522   6.256
  117    HE2  HIS  18           HE2      HIS  18  -4.504  -1.231   7.529
  118    H    CYS  19           HN       CYS  19  -4.981  -2.015   1.842
  119    HA   CYS  19           HA       CYS  19  -6.894  -0.678   3.359
  120    HB2  CYS  19           HB2      CYS  19  -6.194  -0.285   0.452
  121    HB3  CYS  19           HB1      CYS  19  -7.019   0.882   1.477
  122    H    LYS  20           HN       LYS  20  -7.352  -2.853   0.589
  123    HA   LYS  20           HA       LYS  20 -10.035  -2.102   0.067
  124    HB2  LYS  20           HB2      LYS  20 -10.213  -4.176  -1.210
  125    HB3  LYS  20           HB1      LYS  20  -8.701  -3.355  -1.569
  126    HG2  LYS  20           HG2      LYS  20  -7.470  -4.894  -0.218
  127    HG3  LYS  20           HG1      LYS  20  -8.957  -5.633   0.377
  128    HD2  LYS  20           HD2      LYS  20  -8.132  -5.624  -2.522
  129    HD3  LYS  20           HD1      LYS  20  -7.763  -6.934  -1.400
  130    HE2  LYS  20           HE2      LYS  20 -10.216  -7.138  -0.959
  131    HE3  LYS  20           HE1      LYS  20 -10.488  -5.974  -2.256
  132    HZ1  LYS  20           HZ1      LYS  20 -10.723  -8.229  -3.056
  133    HZ2  LYS  20           HZ2      LYS  20  -9.162  -8.617  -2.540
  134    HZ3  LYS  20           HZ3      LYS  20  -9.384  -7.499  -3.788
  135    H    SER  21           HN       SER  21  -8.636  -3.985   2.555
  136    HA   SER  21           HA       SER  21 -11.024  -5.491   3.156
  137    HB2  SER  21           HB2      SER  21  -8.512  -5.140   4.811
  138    HB3  SER  21           HB1      SER  21  -9.746  -6.384   5.017
  139    HG   SER  21           HG       SER  21  -7.798  -6.104   3.007
  140    H    ILE  22           HN       ILE  22  -9.929  -2.367   3.714
  141    HA   ILE  22           HA       ILE  22 -11.397  -2.027   6.210
  142    HB   ILE  22           HB       ILE  22  -9.873   0.029   4.597
  143   HG12  ILE  22          HG12      ILE  22  -9.011  -1.469   7.083
  144   HG13  ILE  22          HG11      ILE  22  -8.412  -1.784   5.457
  145   HG21  ILE  22          HG21      ILE  22 -11.573   1.008   6.028
  146   HG22  ILE  22          HG22      ILE  22  -9.967   1.360   6.661
  147   HG23  ILE  22          HG23      ILE  22 -10.954   0.108   7.413
  148   HD11  ILE  22          HD11      ILE  22  -8.082   0.793   6.978
  149   HD12  ILE  22          HD12      ILE  22  -7.448   0.446   5.368
  150   HD13  ILE  22          HD13      ILE  22  -6.847  -0.449   6.766
  151    H    LYS  23           HN       LYS  23 -13.429  -1.323   6.240
  152    HA   LYS  23           HA       LYS  23 -14.988  -0.978   3.958
  153    HB2  LYS  23           HB2      LYS  23 -15.683  -1.387   6.427
  154    HB3  LYS  23           HB1      LYS  23 -15.637   0.365   6.552
  155    HG2  LYS  23           HG2      LYS  23 -17.262   0.516   4.710
  156    HG3  LYS  23           HG1      LYS  23 -17.356  -1.245   4.695
  157    HD2  LYS  23           HD2      LYS  23 -19.213  -0.343   5.959
  158    HD3  LYS  23           HD1      LYS  23 -18.114  -1.192   7.048
  159    HE2  LYS  23           HE2      LYS  23 -17.146   0.912   7.762
  160    HE3  LYS  23           HE1      LYS  23 -18.144   1.791   6.606
  161    HZ1  LYS  23           HZ1      LYS  23 -20.108   1.029   7.810
  162    HZ2  LYS  23           HZ2      LYS  23 -19.081   1.930   8.802
  163    HZ3  LYS  23           HZ3      LYS  23 -19.127   0.242   8.941
  164    H    GLY  24           HN       GLY  24 -15.265   0.667   2.615
  165    HA2  GLY  24           HA2      GLY  24 -15.598   3.010   2.184
  166    HA3  GLY  24           HA1      GLY  24 -14.462   3.363   3.476
  167    H    TYR  25           HN       TYR  25 -12.539   1.324   2.541
  168    HA   TYR  25           HA       TYR  25 -11.429   2.951   0.359
  169    HB2  TYR  25           HB2      TYR  25  -9.986   1.185   2.347
  170    HB3  TYR  25           HB1      TYR  25  -9.219   2.144   1.084
  171    HD1  TYR  25           HD1      TYR  25  -9.800   2.070   4.456
  172    HD2  TYR  25           HD2      TYR  25 -10.155   4.731   1.161
  173    HE1  TYR  25           HE1      TYR  25  -9.694   3.978   5.998
  174    HE2  TYR  25           HE2      TYR  25 -10.049   6.651   2.691
  175    HH   TYR  25           HH       TYR  25 -10.572   7.080   5.136
  176    H    LYS  26           HN       LYS  26 -10.216   1.909  -1.304
  177    HA   LYS  26           HA       LYS  26 -11.001  -0.895  -1.733
  178    HB2  LYS  26           HB2      LYS  26 -11.131  -0.260  -4.216
  179    HB3  LYS  26           HB1      LYS  26 -12.469   0.199  -3.178
  180    HG2  LYS  26           HG2      LYS  26 -10.270   2.146  -3.691
  181    HG3  LYS  26           HG1      LYS  26 -11.500   1.870  -4.924
  182    HD2  LYS  26           HD2      LYS  26 -13.244   2.390  -3.252
  183    HD3  LYS  26           HD1      LYS  26 -11.981   2.743  -2.074
  184    HE2  LYS  26           HE2      LYS  26 -12.810   4.796  -3.056
  185    HE3  LYS  26           HE1      LYS  26 -11.137   4.524  -3.535
  186    HZ1  LYS  26           HZ1      LYS  26 -12.504   5.260  -5.389
  187    HZ2  LYS  26           HZ2      LYS  26 -13.517   3.921  -5.204
  188    HZ3  LYS  26           HZ3      LYS  26 -11.905   3.706  -5.662
  189    H    GLY  27           HN       GLY  27  -8.531   1.503  -1.871
  190    HA2  GLY  27           HA2      GLY  27  -6.655  -0.584  -2.686
  191    HA3  GLY  27           HA1      GLY  27  -6.744   0.836  -3.714
  192    H    GLY  28           HN       GLY  28  -4.370   0.232  -2.661
  193    HA2  GLY  28           HA2      GLY  28  -3.866   2.556  -1.006
  194    HA3  GLY  28           HA1      GLY  28  -3.489   1.013  -0.248
  195    H    TYR  29           HN       TYR  29  -1.846   3.397  -1.384
  196    HA   TYR  29           HA       TYR  29  -0.056   1.713  -3.010
  197    HB2  TYR  29           HB2      TYR  29   0.425   3.738  -4.423
  198    HB3  TYR  29           HB1      TYR  29  -1.181   3.052  -4.625
  199    HD1  TYR  29           HD1      TYR  29  -3.136   4.294  -4.034
  200    HD2  TYR  29           HD2      TYR  29   0.723   5.896  -3.249
  201    HE1  TYR  29           HE1      TYR  29  -4.142   6.496  -3.619
  202    HE2  TYR  29           HE2      TYR  29  -0.278   8.102  -2.821
  203    HH   TYR  29           HH       TYR  29  -2.336   9.335  -3.454
  204    H    CYS  30           HN       CYS  30   2.106   2.058  -2.816
  205    HA   CYS  30           HA       CYS  30   3.021   3.263  -0.404
  206    HB2  CYS  30           HB2      CYS  30   5.125   2.655  -2.270
  207    HB3  CYS  30           HB1      CYS  30   4.726   1.857  -0.756
  208    H    ALA  31           HN       ALA  31   2.978   5.431  -0.301
  209    HA   ALA  31           HA       ALA  31   3.667   6.962  -2.706
  210    HB1  ALA  31           HB1      ALA  31   1.505   7.442  -1.659
  211    HB2  ALA  31           HB2      ALA  31   2.571   8.848  -1.641
  212    HB3  ALA  31           HB3      ALA  31   2.334   7.901  -0.171
  213    H    LYS  32           HN       LYS  32   4.006   7.816   0.706
  214    HA   LYS  32           HA       LYS  32   6.201   9.457   0.273
  215    HB2  LYS  32           HB2      LYS  32   5.313   8.192   2.863
  216    HB3  LYS  32           HB1      LYS  32   6.360   9.593   2.708
  217    HG2  LYS  32           HG2      LYS  32   4.569  10.881   1.734
  218    HG3  LYS  32           HG1      LYS  32   3.512   9.469   1.744
  219    HD2  LYS  32           HD2      LYS  32   3.565   9.418   4.171
  220    HD3  LYS  32           HD1      LYS  32   4.692  10.777   4.194
  221    HE2  LYS  32           HE2      LYS  32   3.014  12.199   3.145
  222    HE3  LYS  32           HE1      LYS  32   1.895  10.840   3.070
  223    HZ1  LYS  32           HZ1      LYS  32   1.440  12.327   4.937
  224    HZ2  LYS  32           HZ2      LYS  32   2.974  12.020   5.571
  225    HZ3  LYS  32           HZ3      LYS  32   1.840  10.774   5.467
  226    H    GLY  33           HN       GLY  33   7.941   8.539  -0.691
  227    HA2  GLY  33           HA2      GLY  33  10.024   7.573  -0.685
  228    HA3  GLY  33           HA1      GLY  33   9.766   7.143   0.997
  229    H    GLY  34           HN       GLY  34   7.250   6.022  -0.939
  230    HA2  GLY  34           HA2      GLY  34   6.713   3.909  -1.715
  231    HA3  GLY  34           HA1      GLY  34   8.424   3.504  -1.668
  232    H    PHE  35           HN       PHE  35   7.452   4.791   1.256
  233    HA   PHE  35           HA       PHE  35   7.353   2.117   2.448
  234    HB2  PHE  35           HB2      PHE  35   7.983   4.830   3.616
  235    HB3  PHE  35           HB1      PHE  35   7.757   3.396   4.606
  236    HD1  PHE  35           HD1      PHE  35   9.944   5.082   2.206
  237    HD2  PHE  35           HD2      PHE  35   9.411   1.656   4.669
  238    HE1  PHE  35           HE1      PHE  35  12.322   4.517   1.928
  239    HE2  PHE  35           HE2      PHE  35  11.785   1.087   4.396
  240    HZ   PHE  35           HZ       PHE  35  13.247   2.517   3.028
  241    H    VAL  36           HN       VAL  36   5.693   5.248   2.521
  242    HA   VAL  36           HA       VAL  36   3.679   4.187   4.325
  243    HB   VAL  36           HB       VAL  36   3.862   6.937   3.085
  244   HG11  VAL  36          HG11      VAL  36   1.608   6.395   3.799
  245   HG12  VAL  36          HG12      VAL  36   2.320   7.593   4.879
  246   HG13  VAL  36          HG13      VAL  36   2.207   5.907   5.385
  247   HG21  VAL  36          HG21      VAL  36   4.748   5.972   5.803
  248   HG22  VAL  36          HG22      VAL  36   4.747   7.650   5.260
  249   HG23  VAL  36          HG23      VAL  36   5.805   6.472   4.483
  250    H    CYS  37           HN       CYS  37   2.162   2.957   3.445
  251    HA   CYS  37           HA       CYS  37   1.181   3.454   0.778
  252    HB2  CYS  37           HB2      CYS  37   0.583   1.363   2.862
  253    HB3  CYS  37           HB1      CYS  37  -0.234   1.445   1.315
  254    H    LYS  38           HN       LYS  38  -0.392   4.844   0.425
  255    HA   LYS  38           HA       LYS  38  -2.202   5.508   2.624
  256    HB2  LYS  38           HB2      LYS  38  -1.045   7.338   1.410
  257    HB3  LYS  38           HB1      LYS  38  -1.905   6.885  -0.045
  258    HG2  LYS  38           HG2      LYS  38  -3.909   7.676   0.717
  259    HG3  LYS  38           HG1      LYS  38  -3.486   7.437   2.410
  260    HD2  LYS  38           HD2      LYS  38  -3.575   9.776   1.993
  261    HD3  LYS  38           HD1      LYS  38  -1.884   9.331   2.203
  262    HE2  LYS  38           HE2      LYS  38  -1.995  10.838   0.366
  263    HE3  LYS  38           HE1      LYS  38  -1.696   9.230  -0.293
  264    HZ1  LYS  38           HZ1      LYS  38  -4.309  10.634  -0.214
  265    HZ2  LYS  38           HZ2      LYS  38  -4.074   9.061  -0.785
  266    HZ3  LYS  38           HZ3      LYS  38  -3.356  10.364  -1.583
  267    H    CYS  39           HN       CYS  39  -4.362   5.267   2.504
  268    HA   CYS  39           HA       CYS  39  -5.234   3.300   0.516
  269    HB2  CYS  39           HB2      CYS  39  -6.540   4.135   3.114
  270    HB3  CYS  39           HB1      CYS  39  -7.081   2.831   2.065
  271    H    TYR  40           HN       TYR  40  -6.921   3.639  -0.842
  272    HA   TYR  40           HA       TYR  40  -8.373   6.178  -0.586
  273    HB2  TYR  40           HB2      TYR  40  -8.460   6.355  -3.049
  274    HB3  TYR  40           HB1      TYR  40  -6.817   6.450  -2.438
  275    HD1  TYR  40           HD1      TYR  40  -5.192   4.789  -3.018
  276    HD2  TYR  40           HD2      TYR  40  -9.230   4.360  -4.278
  277    HE1  TYR  40           HE1      TYR  40  -4.512   3.033  -4.595
  278    HE2  TYR  40           HE2      TYR  40  -8.560   2.607  -5.854
  279    HH   TYR  40           HH       TYR  40  -5.471   1.149  -5.769
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   6.432  -2.251   6.946
    2    H2   GLY   1           HT2      GLY   1   5.300  -2.083   8.187
    3    H3   GLY   1           HT3      GLY   1   6.362  -0.816   7.837
    4    HA2  GLY   1           HA1      GLY   1   4.218  -0.278   6.955
    5    HA3  GLY   1           HA2      GLY   1   5.353  -0.565   5.642
    6    H    PHE   2           HN       PHE   2   2.727  -0.722   5.059
    7    HA   PHE   2           HA       PHE   2   1.915  -3.500   5.278
    8    HB2  PHE   2           HB2      PHE   2   0.338  -1.146   4.234
    9    HB3  PHE   2           HB1      PHE   2  -0.290  -2.756   4.569
   10    HD1  PHE   2           HD1      PHE   2  -0.059  -3.594   7.006
   11    HD2  PHE   2           HD2      PHE   2   0.221   0.493   5.859
   12    HE1  PHE   2           HE1      PHE   2  -0.593  -2.917   9.309
   13    HE2  PHE   2           HE2      PHE   2  -0.310   1.180   8.161
   14    HZ   PHE   2           HZ       PHE   2  -0.686  -0.519   9.896
   15    H    GLY   3           HN       GLY   3   3.783  -3.882   3.762
   16    HA2  GLY   3           HA2      GLY   3   4.259  -4.753   1.646
   17    HA3  GLY   3           HA1      GLY   3   2.806  -3.976   1.028
   18    H    CYS   4           HN       CYS   4   4.536  -1.865   2.905
   19    HA   CYS   4           HA       CYS   4   6.019  -0.774   0.621
   20    HB2  CYS   4           HB2      CYS   4   4.453   0.948   2.537
   21    HB3  CYS   4           HB1      CYS   4   5.169   1.412   1.001
   22    H    ASN   5           HN       ASN   5   7.922  -1.562   1.579
   23    HA   ASN   5           HA       ASN   5   8.735  -0.078   3.990
   24    HB2  ASN   5           HB2      ASN   5   9.462  -2.915   3.226
   25    HB3  ASN   5           HB1      ASN   5  10.206  -2.027   4.546
   26   HD21  ASN   5          HD21      ASN   5   7.360  -3.655   3.425
   27   HD22  ASN   5          HD22      ASN   5   6.562  -3.742   4.961
   28    H    GLY   6           HN       GLY   6   9.045   0.362   1.008
   29    HA2  GLY   6           HA2      GLY   6  10.995   1.859   0.501
   30    HA3  GLY   6           HA1      GLY   6  11.996   0.499   0.980
   31    HA   PRO   7           HA       PRO   7  11.175   0.925  -3.779
   32    HB2  PRO   7           HB2      PRO   7  14.036   0.289  -3.725
   33    HB3  PRO   7           HB1      PRO   7  13.189   1.563  -4.601
   34    HG2  PRO   7           HG2      PRO   7  14.720   1.825  -2.244
   35    HG3  PRO   7           HG1      PRO   7  13.726   3.067  -3.017
   36    HD2  PRO   7           HD2      PRO   7  13.281   1.805  -0.524
   37    HD3  PRO   7           HD1      PRO   7  12.192   2.915  -1.374
   38    H    TRP   8           HN       TRP   8  13.086  -1.248  -1.764
   39    HA   TRP   8           HA       TRP   8  12.972  -3.372  -3.729
   40    HB2  TRP   8           HB2      TRP   8  14.181  -4.351  -1.425
   41    HB3  TRP   8           HB1      TRP   8  15.005  -3.716  -2.843
   42    HD1  TRP   8           HD1      TRP   8  13.538  -2.330   0.482
   43    HE1  TRP   8           HE1      TRP   8  15.058  -0.418   1.291
   44    HE3  TRP   8           HE3      TRP   8  16.856  -2.249  -3.404
   45    HZ2  TRP   8           HZ2      TRP   8  17.365   0.938   0.396
   46    HZ3  TRP   8           HZ3      TRP   8  18.692  -0.612  -3.349
   47    HH2  TRP   8           HH2      TRP   8  18.939   0.948  -1.489
   48    H    ASN   9           HN       ASN   9  10.795  -2.319  -1.572
   49    HA   ASN   9           HA       ASN   9   9.858  -5.047  -0.989
   50    HB2  ASN   9           HB2      ASN   9  10.829  -4.151   1.060
   51    HB3  ASN   9           HB1      ASN   9   9.826  -2.709   0.929
   52   HD21  ASN   9          HD21      ASN   9   9.923  -6.058   1.777
   53   HD22  ASN   9          HD22      ASN   9   8.339  -6.148   2.461
   54    H    GLU  10           HN       GLU  10   9.095  -1.731  -1.731
   55    HA   GLU  10           HA       GLU  10   6.396  -1.579  -1.281
   56    HB2  GLU  10           HB2      GLU  10   6.348  -0.010  -3.278
   57    HB3  GLU  10           HB1      GLU  10   7.485   0.384  -1.998
   58    HG2  GLU  10           HG2      GLU  10   9.327  -0.337  -3.262
   59    HG3  GLU  10           HG1      GLU  10   8.300  -1.162  -4.436
   60    H    ASP  11           HN       ASP  11   4.667  -2.540  -1.988
   61    HA   ASP  11           HA       ASP  11   4.635  -3.742  -4.661
   62    HB2  ASP  11           HB2      ASP  11   5.143  -5.537  -3.032
   63    HB3  ASP  11           HB1      ASP  11   3.679  -5.131  -2.146
   64    H    ASP  12           HN       ASP  12   2.901  -3.156  -5.742
   65    HA   ASP  12           HA       ASP  12   1.051  -1.317  -4.660
   66    HB2  ASP  12           HB2      ASP  12   1.783  -1.321  -7.025
   67    HB3  ASP  12           HB1      ASP  12   0.923  -2.836  -7.274
   68    H    LEU  13           HN       LEU  13   0.976  -4.766  -5.148
   69    HA   LEU  13           HA       LEU  13  -1.864  -5.013  -4.936
   70    HB2  LEU  13           HB2      LEU  13   0.185  -6.582  -5.844
   71    HB3  LEU  13           HB1      LEU  13  -0.216  -7.350  -4.331
   72    HG   LEU  13           HG       LEU  13  -1.434  -8.463  -6.054
   73   HD11  LEU  13          HD11      LEU  13  -3.735  -8.149  -5.377
   74   HD12  LEU  13          HD12      LEU  13  -3.324  -6.606  -4.630
   75   HD13  LEU  13          HD13      LEU  13  -2.666  -8.105  -3.977
   76   HD21  LEU  13          HD21      LEU  13  -1.304  -6.743  -7.763
   77   HD22  LEU  13          HD22      LEU  13  -2.452  -5.745  -6.869
   78   HD23  LEU  13          HD23      LEU  13  -2.969  -7.285  -7.556
   79    H    ARG  14           HN       ARG  14   0.905  -5.580  -2.781
   80    HA   ARG  14           HA       ARG  14  -0.448  -6.635  -0.588
   81    HB2  ARG  14           HB2      ARG  14   1.968  -4.818  -0.602
   82    HB3  ARG  14           HB1      ARG  14   1.394  -5.686   0.805
   83    HG2  ARG  14           HG2      ARG  14   2.533  -6.834  -1.725
   84    HG3  ARG  14           HG1      ARG  14   3.205  -6.917  -0.097
   85    HD2  ARG  14           HD2      ARG  14   0.725  -8.282  -1.130
   86    HD3  ARG  14           HD1      ARG  14   2.237  -9.042  -0.643
   87    HE   ARG  14           HE       ARG  14   1.371  -7.694   1.581
   88   HH11  ARG  14          HH11      ARG  14   0.094 -10.194  -0.507
   89   HH12  ARG  14          HH12      ARG  14  -0.889 -10.908   0.732
   90   HH21  ARG  14          HH21      ARG  14   0.051  -8.617   3.214
   91   HH22  ARG  14          HH22      ARG  14  -0.915 -10.011   2.845
   92    H    CYS  15           HN       CYS  15   0.412  -3.217  -1.076
   93    HA   CYS  15           HA       CYS  15  -1.019  -2.217   1.115
   94    HB2  CYS  15           HB2      CYS  15   0.698  -0.950  -0.172
   95    HB3  CYS  15           HB1      CYS  15  -0.452  -0.790  -1.495
   96    H    HIS  16           HN       HIS  16  -2.006  -2.734  -2.252
   97    HA   HIS  16           HA       HIS  16  -4.612  -1.761  -2.130
   98    HB2  HIS  16           HB2      HIS  16  -3.789  -2.388  -4.255
   99    HB3  HIS  16           HB1      HIS  16  -3.346  -3.994  -3.707
  100    HD1  HIS  16           HD1      HIS  16  -6.479  -1.965  -4.444
  101    HD2  HIS  16           HD2      HIS  16  -5.197  -5.914  -4.240
  102    HE1  HIS  16           HE1      HIS  16  -8.433  -3.353  -5.196
  103    HE2  HIS  16           HE2      HIS  16  -7.577  -5.719  -5.234
  104    H    ASN  17           HN       ASN  17  -3.400  -5.007  -1.396
  105    HA   ASN  17           HA       ASN  17  -5.822  -6.213  -0.731
  106    HB2  ASN  17           HB2      ASN  17  -2.981  -6.740   0.112
  107    HB3  ASN  17           HB1      ASN  17  -4.308  -7.738   0.680
  108   HD21  ASN  17          HD21      ASN  17  -2.039  -8.444  -0.977
  109   HD22  ASN  17          HD22      ASN  17  -2.684  -9.062  -2.458
  110    H    HIS  18           HN       HIS  18  -3.482  -4.530   1.335
  111    HA   HIS  18           HA       HIS  18  -4.825  -4.972   3.765
  112    HB2  HIS  18           HB2      HIS  18  -2.516  -4.227   3.752
  113    HB3  HIS  18           HB1      HIS  18  -2.963  -2.734   2.939
  114    HD1  HIS  18           HD1      HIS  18  -3.606  -4.487   6.258
  115    HD2  HIS  18           HD2      HIS  18  -3.440  -0.678   4.610
  116    HE1  HIS  18           HE1      HIS  18  -3.913  -2.899   8.188
  117    HE2  HIS  18           HE2      HIS  18  -3.792  -0.597   7.173
  118    H    CYS  19           HN       CYS  19  -4.952  -2.214   1.522
  119    HA   CYS  19           HA       CYS  19  -6.695  -0.719   3.191
  120    HB2  CYS  19           HB2      CYS  19  -5.901  -0.381   0.306
  121    HB3  CYS  19           HB1      CYS  19  -6.905   0.768   1.184
  122    H    LYS  20           HN       LYS  20  -7.273  -2.879   0.440
  123    HA   LYS  20           HA       LYS  20  -9.994  -2.082   0.112
  124    HB2  LYS  20           HB2      LYS  20 -10.215  -3.859  -1.434
  125    HB3  LYS  20           HB1      LYS  20  -8.575  -3.258  -1.629
  126    HG2  LYS  20           HG2      LYS  20  -7.725  -5.118  -0.308
  127    HG3  LYS  20           HG1      LYS  20  -9.370  -5.715  -0.082
  128    HD2  LYS  20           HD2      LYS  20  -9.547  -5.850  -2.587
  129    HD3  LYS  20           HD1      LYS  20  -7.817  -5.514  -2.653
  130    HE2  LYS  20           HE2      LYS  20  -8.142  -7.883  -2.794
  131    HE3  LYS  20           HE1      LYS  20  -7.432  -7.509  -1.228
  132    HZ1  LYS  20           HZ1      LYS  20  -9.540  -7.783  -0.183
  133    HZ2  LYS  20           HZ2      LYS  20  -9.277  -9.140  -1.155
  134    HZ3  LYS  20           HZ3      LYS  20 -10.334  -7.928  -1.668
  135    H    SER  21           HN       SER  21  -8.403  -3.998   2.404
  136    HA   SER  21           HA       SER  21 -10.733  -5.570   3.109
  137    HB2  SER  21           HB2      SER  21  -8.067  -5.313   4.522
  138    HB3  SER  21           HB1      SER  21  -9.305  -6.527   4.840
  139    HG   SER  21           HG       SER  21  -7.556  -6.274   2.659
  140    H    ILE  22           HN       ILE  22  -9.737  -2.458   3.595
  141    HA   ILE  22           HA       ILE  22 -10.957  -2.226   6.253
  142    HB   ILE  22           HB       ILE  22  -9.495  -0.109   4.661
  143   HG12  ILE  22          HG12      ILE  22  -8.474  -1.788   6.965
  144   HG13  ILE  22          HG11      ILE  22  -8.008  -1.993   5.279
  145   HG21  ILE  22          HG21      ILE  22 -10.329  -0.197   7.559
  146   HG22  ILE  22          HG22      ILE  22 -11.073   0.781   6.294
  147   HG23  ILE  22          HG23      ILE  22  -9.408   1.095   6.790
  148   HD11  ILE  22          HD11      ILE  22  -6.328  -0.767   6.565
  149   HD12  ILE  22          HD12      ILE  22  -7.525   0.479   6.930
  150   HD13  ILE  22          HD13      ILE  22  -7.006   0.214   5.265
  151    H    LYS  23           HN       LYS  23 -13.011  -1.575   6.379
  152    HA   LYS  23           HA       LYS  23 -14.609  -0.887   4.202
  153    HB2  LYS  23           HB2      LYS  23 -15.323  -1.680   6.529
  154    HB3  LYS  23           HB1      LYS  23 -15.124  -0.008   7.028
  155    HG2  LYS  23           HG2      LYS  23 -16.778   0.708   5.428
  156    HG3  LYS  23           HG1      LYS  23 -16.967  -0.959   4.879
  157    HD2  LYS  23           HD2      LYS  23 -17.995  -1.628   6.843
  158    HD3  LYS  23           HD1      LYS  23 -17.321  -0.283   7.766
  159    HE2  LYS  23           HE2      LYS  23 -18.758   1.265   6.575
  160    HE3  LYS  23           HE1      LYS  23 -19.424  -0.059   5.626
  161    HZ1  LYS  23           HZ1      LYS  23 -20.864   0.574   7.478
  162    HZ2  LYS  23           HZ2      LYS  23 -19.636   0.198   8.575
  163    HZ3  LYS  23           HZ3      LYS  23 -20.328  -1.022   7.629
  164    H    GLY  24           HN       GLY  24 -15.068   0.998   3.225
  165    HA2  GLY  24           HA2      GLY  24 -15.216   3.381   3.130
  166    HA3  GLY  24           HA1      GLY  24 -13.980   3.471   4.378
  167    H    TYR  25           HN       TYR  25 -12.579   1.238   2.738
  168    HA   TYR  25           HA       TYR  25 -11.480   3.020   0.667
  169    HB2  TYR  25           HB2      TYR  25  -9.916   1.082   2.387
  170    HB3  TYR  25           HB1      TYR  25  -9.254   2.093   1.108
  171    HD1  TYR  25           HD1      TYR  25  -9.800   1.840   4.578
  172    HD2  TYR  25           HD2      TYR  25  -9.672   4.675   1.411
  173    HE1  TYR  25           HE1      TYR  25  -9.402   3.638   6.207
  174    HE2  TYR  25           HE2      TYR  25  -9.276   6.479   3.028
  175    HH   TYR  25           HH       TYR  25  -9.607   6.951   5.386
  176    H    LYS  26           HN       LYS  26 -10.660   2.000  -1.205
  177    HA   LYS  26           HA       LYS  26 -11.645  -0.759  -1.567
  178    HB2  LYS  26           HB2      LYS  26 -11.965  -0.139  -3.992
  179    HB3  LYS  26           HB1      LYS  26 -13.086   0.604  -2.863
  180    HG2  LYS  26           HG2      LYS  26 -10.633   2.103  -3.615
  181    HG3  LYS  26           HG1      LYS  26 -11.935   1.973  -4.796
  182    HD2  LYS  26           HD2      LYS  26 -12.366   2.921  -1.971
  183    HD3  LYS  26           HD1      LYS  26 -11.996   4.012  -3.307
  184    HE2  LYS  26           HE2      LYS  26 -13.979   3.222  -4.495
  185    HE3  LYS  26           HE1      LYS  26 -14.351   2.136  -3.159
  186    HZ1  LYS  26           HZ1      LYS  26 -14.602   4.052  -1.713
  187    HZ2  LYS  26           HZ2      LYS  26 -15.651   4.166  -3.032
  188    HZ3  LYS  26           HZ3      LYS  26 -14.242   5.096  -2.991
  189    H    GLY  27           HN       GLY  27  -8.979   1.360  -1.753
  190    HA2  GLY  27           HA2      GLY  27  -7.274  -0.812  -2.587
  191    HA3  GLY  27           HA1      GLY  27  -7.405   0.475  -3.776
  192    H    GLY  28           HN       GLY  28  -4.952   0.149  -3.042
  193    HA2  GLY  28           HA2      GLY  28  -4.322   2.513  -1.524
  194    HA3  GLY  28           HA1      GLY  28  -3.885   1.023  -0.701
  195    H    TYR  29           HN       TYR  29  -2.033   3.006  -1.488
  196    HA   TYR  29           HA       TYR  29  -0.304   1.396  -3.181
  197    HB2  TYR  29           HB2      TYR  29   0.253   3.461  -4.586
  198    HB3  TYR  29           HB1      TYR  29  -1.271   2.653  -4.934
  199    HD1  TYR  29           HD1      TYR  29  -3.324   3.829  -4.781
  200    HD2  TYR  29           HD2      TYR  29   0.225   5.566  -3.202
  201    HE1  TYR  29           HE1      TYR  29  -4.508   5.960  -4.476
  202    HE2  TYR  29           HE2      TYR  29  -0.953   7.700  -2.888
  203    HH   TYR  29           HH       TYR  29  -4.287   7.997  -3.014
  204    H    CYS  30           HN       CYS  30   1.925   1.987  -3.013
  205    HA   CYS  30           HA       CYS  30   2.530   3.185  -0.455
  206    HB2  CYS  30           HB2      CYS  30   4.537   2.171  -2.469
  207    HB3  CYS  30           HB1      CYS  30   4.741   2.358  -0.738
  208    H    ALA  31           HN       ALA  31   2.350   5.330  -0.474
  209    HA   ALA  31           HA       ALA  31   3.580   6.871  -2.638
  210    HB1  ALA  31           HB1      ALA  31   1.300   7.471  -1.970
  211    HB2  ALA  31           HB2      ALA  31   2.427   8.789  -1.657
  212    HB3  ALA  31           HB3      ALA  31   1.863   7.781  -0.327
  213    H    LYS  32           HN       LYS  32   4.438   9.102  -1.526
  214    HA   LYS  32           HA       LYS  32   6.169  10.101  -0.469
  215    HB2  LYS  32           HB2      LYS  32   5.404   8.111   1.657
  216    HB3  LYS  32           HB1      LYS  32   6.502   9.458   1.923
  217    HG2  LYS  32           HG2      LYS  32   3.626   9.723   1.062
  218    HG3  LYS  32           HG1      LYS  32   4.197   9.872   2.724
  219    HD2  LYS  32           HD2      LYS  32   5.642  11.745   2.023
  220    HD3  LYS  32           HD1      LYS  32   4.976  11.619   0.394
  221    HE2  LYS  32           HE2      LYS  32   3.901  13.396   1.713
  222    HE3  LYS  32           HE1      LYS  32   2.765  12.142   1.221
  223    HZ1  LYS  32           HZ1      LYS  32   4.061  12.236   3.888
  224    HZ2  LYS  32           HZ2      LYS  32   2.792  11.228   3.398
  225    HZ3  LYS  32           HZ3      LYS  32   2.535  12.891   3.560
  226    H    GLY  33           HN       GLY  33   7.050   8.395  -2.333
  227    HA2  GLY  33           HA2      GLY  33   9.172   7.640  -2.931
  228    HA3  GLY  33           HA1      GLY  33   9.615   7.602  -1.231
  229    H    GLY  34           HN       GLY  34   6.658   6.083  -1.901
  230    HA2  GLY  34           HA2      GLY  34   6.059   3.860  -2.180
  231    HA3  GLY  34           HA1      GLY  34   7.747   3.480  -2.495
  232    H    PHE  35           HN       PHE  35   6.685   5.195   0.364
  233    HA   PHE  35           HA       PHE  35   7.485   2.841   1.934
  234    HB2  PHE  35           HB2      PHE  35   7.803   5.775   2.580
  235    HB3  PHE  35           HB1      PHE  35   8.096   4.486   3.739
  236    HD1  PHE  35           HD1      PHE  35   9.382   6.307   0.886
  237    HD2  PHE  35           HD2      PHE  35   9.985   2.948   3.425
  238    HE1  PHE  35           HE1      PHE  35  11.709   6.142   0.106
  239    HE2  PHE  35           HE2      PHE  35  12.311   2.776   2.650
  240    HZ   PHE  35           HZ       PHE  35  13.177   4.374   0.989
  241    H    VAL  36           HN       VAL  36   5.111   5.396   1.585
  242    HA   VAL  36           HA       VAL  36   3.751   4.449   4.005
  243    HB   VAL  36           HB       VAL  36   3.292   6.970   2.403
  244   HG11  VAL  36          HG11      VAL  36   2.048   6.076   5.004
  245   HG12  VAL  36          HG12      VAL  36   1.227   6.186   3.446
  246   HG13  VAL  36          HG13      VAL  36   1.819   7.647   4.237
  247   HG21  VAL  36          HG21      VAL  36   4.559   6.543   5.108
  248   HG22  VAL  36          HG22      VAL  36   4.241   8.106   4.360
  249   HG23  VAL  36          HG23      VAL  36   5.399   6.998   3.626
  250    H    CYS  37           HN       CYS  37   2.357   2.889   3.643
  251    HA   CYS  37           HA       CYS  37   0.957   2.518   1.182
  252    HB2  CYS  37           HB2      CYS  37   1.465   0.600   2.581
  253    HB3  CYS  37           HB1      CYS  37   0.585   1.303   3.931
  254    H    LYS  38           HN       LYS  38  -0.346   4.204   0.639
  255    HA   LYS  38           HA       LYS  38  -2.254   5.151   2.662
  256    HB2  LYS  38           HB2      LYS  38  -0.791   6.779   1.299
  257    HB3  LYS  38           HB1      LYS  38  -1.862   6.408  -0.040
  258    HG2  LYS  38           HG2      LYS  38  -3.784   7.105   1.342
  259    HG3  LYS  38           HG1      LYS  38  -2.663   7.576   2.618
  260    HD2  LYS  38           HD2      LYS  38  -3.263   9.541   1.416
  261    HD3  LYS  38           HD1      LYS  38  -1.598   9.144   0.989
  262    HE2  LYS  38           HE2      LYS  38  -2.856   9.800  -0.984
  263    HE3  LYS  38           HE1      LYS  38  -2.386   8.104  -1.084
  264    HZ1  LYS  38           HZ1      LYS  38  -4.633   7.495  -0.364
  265    HZ2  LYS  38           HZ2      LYS  38  -4.662   8.401  -1.793
  266    HZ3  LYS  38           HZ3      LYS  38  -5.072   9.128  -0.323
  267    H    CYS  39           HN       CYS  39  -4.425   5.215   2.221
  268    HA   CYS  39           HA       CYS  39  -5.246   3.217   0.231
  269    HB2  CYS  39           HB2      CYS  39  -6.758   4.146   2.677
  270    HB3  CYS  39           HB1      CYS  39  -7.146   2.771   1.651
  271    H    TYR  40           HN       TYR  40  -7.449   3.539  -0.678
  272    HA   TYR  40           HA       TYR  40  -8.474   6.255  -0.581
  273    HB2  TYR  40           HB2      TYR  40  -8.732   6.414  -3.017
  274    HB3  TYR  40           HB1      TYR  40  -7.038   6.282  -2.571
  275    HD1  TYR  40           HD1      TYR  40  -5.691   4.519  -3.412
  276    HD2  TYR  40           HD2      TYR  40  -9.904   4.416  -3.981
  277    HE1  TYR  40           HE1      TYR  40  -5.424   2.625  -4.945
  278    HE2  TYR  40           HE2      TYR  40  -9.652   2.522  -5.525
  279    HH   TYR  40           HH       TYR  40  -6.797   0.732  -5.800
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   5.288   0.160   6.138
    2    H2   GLY   1           HT2      GLY   1   5.250   1.433   5.026
    3    H3   GLY   1           HT3      GLY   1   5.624  -0.133   4.504
    4    HA2  GLY   1           HA1      GLY   1   3.018   0.797   5.564
    5    HA3  GLY   1           HA2      GLY   1   3.375   0.412   3.887
    6    H    PHE   2           HN       PHE   2   1.486  -1.041   4.223
    7    HA   PHE   2           HA       PHE   2   1.813  -3.310   5.931
    8    HB2  PHE   2           HB2      PHE   2  -0.257  -2.795   3.790
    9    HB3  PHE   2           HB1      PHE   2  -0.333  -4.060   5.010
   10    HD1  PHE   2           HD1      PHE   2  -0.568  -3.421   7.414
   11    HD2  PHE   2           HD2      PHE   2  -0.975  -0.605   4.250
   12    HE1  PHE   2           HE1      PHE   2  -1.730  -1.880   8.941
   13    HE2  PHE   2           HE2      PHE   2  -2.135   0.941   5.772
   14    HZ   PHE   2           HZ       PHE   2  -2.518   0.305   8.119
   15    H    GLY   3           HN       GLY   3   3.130  -2.528   3.069
   16    HA2  GLY   3           HA2      GLY   3   4.014  -5.211   2.556
   17    HA3  GLY   3           HA1      GLY   3   2.959  -4.576   1.297
   18    H    CYS   4           HN       CYS   4   3.677  -1.953   1.228
   19    HA   CYS   4           HA       CYS   4   6.247  -2.008  -0.036
   20    HB2  CYS   4           HB2      CYS   4   4.620   0.428   0.691
   21    HB3  CYS   4           HB1      CYS   4   5.842   0.283  -0.569
   22    H    ASN   5           HN       ASN   5   8.167  -1.541   0.833
   23    HA   ASN   5           HA       ASN   5   8.278   0.080   3.265
   24    HB2  ASN   5           HB2      ASN   5   9.486  -2.677   2.987
   25    HB3  ASN   5           HB1      ASN   5  10.008  -1.522   4.208
   26   HD21  ASN   5          HD21      ASN   5   7.565  -3.754   3.242
   27   HD22  ASN   5          HD22      ASN   5   6.610  -3.650   4.680
   28    H    GLY   6           HN       GLY   6   8.824   1.176   0.971
   29    HA2  GLY   6           HA2      GLY   6  10.713   2.654   0.600
   30    HA3  GLY   6           HA1      GLY   6  11.771   1.288   0.930
   31    HA   PRO   7           HA       PRO   7  10.701   2.115  -3.752
   32    HB2  PRO   7           HB2      PRO   7  13.633   2.353  -3.867
   33    HB3  PRO   7           HB1      PRO   7  12.397   3.359  -4.621
   34    HG2  PRO   7           HG2      PRO   7  13.902   4.078  -2.442
   35    HG3  PRO   7           HG1      PRO   7  12.338   4.790  -2.865
   36    HD2  PRO   7           HD2      PRO   7  13.044   3.022  -0.658
   37    HD3  PRO   7           HD1      PRO   7  11.580   3.991  -0.895
   38    H    TRP   8           HN       TRP   8  13.313   0.511  -2.060
   39    HA   TRP   8           HA       TRP   8  14.019  -1.377  -4.014
   40    HB2  TRP   8           HB2      TRP   8  14.301  -2.208  -1.197
   41    HB3  TRP   8           HB1      TRP   8  15.513  -2.114  -2.471
   42    HD1  TRP   8           HD1      TRP   8  14.032  -0.148   0.404
   43    HE1  TRP   8           HE1      TRP   8  15.420   1.991   0.776
   44    HE3  TRP   8           HE3      TRP   8  16.973  -0.351  -3.773
   45    HZ2  TRP   8           HZ2      TRP   8  17.482   3.404  -0.533
   46    HZ3  TRP   8           HZ3      TRP   8  18.623   1.435  -4.141
   47    HH2  TRP   8           HH2      TRP   8  18.870   3.274  -2.554
   48    H    ASN   9           HN       ASN   9  11.386  -1.267  -1.784
   49    HA   ASN   9           HA       ASN   9  10.516  -3.929  -2.603
   50    HB2  ASN   9           HB2      ASN   9  11.782  -4.314  -0.552
   51    HB3  ASN   9           HB1      ASN   9  10.856  -3.070   0.282
   52   HD21  ASN   9          HD21      ASN   9  10.201  -4.533   1.852
   53   HD22  ASN   9          HD22      ASN   9   9.000  -5.739   1.543
   54    H    GLU  10           HN       GLU  10   8.980  -2.661  -3.792
   55    HA   GLU  10           HA       GLU  10   6.915  -1.398  -2.110
   56    HB2  GLU  10           HB2      GLU  10   7.591  -0.835  -5.003
   57    HB3  GLU  10           HB1      GLU  10   6.278  -0.093  -4.107
   58    HG2  GLU  10           HG2      GLU  10   7.918   0.909  -2.578
   59    HG3  GLU  10           HG1      GLU  10   9.216   0.208  -3.545
   60    H    ASP  11           HN       ASP  11   5.656  -3.229  -1.771
   61    HA   ASP  11           HA       ASP  11   4.457  -4.410  -4.181
   62    HB2  ASP  11           HB2      ASP  11   5.440  -5.974  -2.475
   63    HB3  ASP  11           HB1      ASP  11   4.218  -5.414  -1.337
   64    H    ASP  12           HN       ASP  12   2.935  -2.938  -4.739
   65    HA   ASP  12           HA       ASP  12   1.303  -1.535  -2.892
   66    HB2  ASP  12           HB2      ASP  12   0.777  -2.030  -5.832
   67    HB3  ASP  12           HB1      ASP  12   0.026  -0.795  -4.836
   68    H    LEU  13           HN       LEU  13   1.134  -4.674  -4.272
   69    HA   LEU  13           HA       LEU  13  -1.650  -4.992  -4.468
   70    HB2  LEU  13           HB2      LEU  13   0.552  -6.433  -5.171
   71    HB3  LEU  13           HB1      LEU  13  -0.053  -7.370  -3.829
   72    HG   LEU  13           HG       LEU  13  -0.988  -8.355  -5.756
   73   HD11  LEU  13          HD11      LEU  13  -3.367  -8.021  -5.555
   74   HD12  LEU  13          HD12      LEU  13  -3.106  -6.493  -4.715
   75   HD13  LEU  13          HD13      LEU  13  -2.614  -8.007  -3.961
   76   HD21  LEU  13          HD21      LEU  13  -1.760  -5.589  -6.666
   77   HD22  LEU  13          HD22      LEU  13  -2.149  -7.093  -7.501
   78   HD23  LEU  13          HD23      LEU  13  -0.468  -6.585  -7.335
   79    H    ARG  14           HN       ARG  14   0.649  -6.059  -1.938
   80    HA   ARG  14           HA       ARG  14  -1.120  -7.100  -0.097
   81    HB2  ARG  14           HB2      ARG  14   1.533  -5.806   0.040
   82    HB3  ARG  14           HB1      ARG  14   0.643  -5.867   1.551
   83    HG2  ARG  14           HG2      ARG  14   2.098  -7.752   1.429
   84    HG3  ARG  14           HG1      ARG  14   0.436  -8.306   1.262
   85    HD2  ARG  14           HD2      ARG  14   1.950  -7.708  -1.212
   86    HD3  ARG  14           HD1      ARG  14   2.367  -9.171  -0.321
   87    HE   ARG  14           HE       ARG  14  -0.343  -9.266  -0.524
   88   HH11  ARG  14          HH11      ARG  14   2.195  -8.797  -2.870
   89   HH12  ARG  14          HH12      ARG  14   1.422  -9.755  -4.094
   90   HH21  ARG  14          HH21      ARG  14  -1.384 -10.531  -2.133
   91   HH22  ARG  14          HH22      ARG  14  -0.621 -10.742  -3.677
   92    H    CYS  15           HN       CYS  15  -0.092  -3.689  -0.345
   93    HA   CYS  15           HA       CYS  15  -1.701  -2.826   1.798
   94    HB2  CYS  15           HB2      CYS  15  -0.385  -1.331  -0.471
   95    HB3  CYS  15           HB1      CYS  15  -1.138  -0.576   0.920
   96    H    HIS  16           HN       HIS  16  -2.186  -2.966  -1.697
   97    HA   HIS  16           HA       HIS  16  -4.697  -1.734  -1.838
   98    HB2  HIS  16           HB2      HIS  16  -3.654  -2.242  -3.900
   99    HB3  HIS  16           HB1      HIS  16  -3.385  -3.920  -3.448
  100    HD1  HIS  16           HD1      HIS  16  -6.333  -1.633  -4.223
  101    HD2  HIS  16           HD2      HIS  16  -5.208  -5.620  -4.496
  102    HE1  HIS  16           HE1      HIS  16  -8.263  -2.803  -5.317
  103    HE2  HIS  16           HE2      HIS  16  -7.477  -5.167  -5.657
  104    H    ASN  17           HN       ASN  17  -3.845  -5.137  -1.341
  105    HA   ASN  17           HA       ASN  17  -6.438  -6.145  -1.082
  106    HB2  ASN  17           HB2      ASN  17  -3.770  -7.092  -0.059
  107    HB3  ASN  17           HB1      ASN  17  -5.244  -8.003   0.209
  108   HD21  ASN  17          HD21      ASN  17  -2.906  -8.775  -1.255
  109   HD22  ASN  17          HD22      ASN  17  -3.422  -9.110  -2.872
  110    H    HIS  18           HN       HIS  18  -4.139  -5.035   1.357
  111    HA   HIS  18           HA       HIS  18  -5.667  -5.621   3.618
  112    HB2  HIS  18           HB2      HIS  18  -3.280  -5.022   3.698
  113    HB3  HIS  18           HB1      HIS  18  -3.676  -3.378   3.228
  114    HD1  HIS  18           HD1      HIS  18  -4.091  -5.778   6.119
  115    HD2  HIS  18           HD2      HIS  18  -4.395  -1.733   5.257
  116    HE1  HIS  18           HE1      HIS  18  -4.453  -4.639   8.333
  117    HE2  HIS  18           HE2      HIS  18  -4.471  -2.186   7.802
  118    H    CYS  19           HN       CYS  19  -5.491  -2.611   1.721
  119    HA   CYS  19           HA       CYS  19  -7.328  -1.303   3.487
  120    HB2  CYS  19           HB2      CYS  19  -5.918  -0.491   0.973
  121    HB3  CYS  19           HB1      CYS  19  -7.198   0.518   1.646
  122    H    LYS  20           HN       LYS  20  -7.678  -3.073   0.477
  123    HA   LYS  20           HA       LYS  20 -10.310  -2.035  -0.023
  124    HB2  LYS  20           HB2      LYS  20 -10.477  -3.561  -1.811
  125    HB3  LYS  20           HB1      LYS  20  -8.787  -3.088  -1.776
  126    HG2  LYS  20           HG2      LYS  20  -8.230  -5.175  -0.631
  127    HG3  LYS  20           HG1      LYS  20  -9.928  -5.651  -0.678
  128    HD2  LYS  20           HD2      LYS  20  -9.842  -5.505  -3.158
  129    HD3  LYS  20           HD1      LYS  20  -8.112  -5.177  -3.042
  130    HE2  LYS  20           HE2      LYS  20  -8.336  -7.489  -3.505
  131    HE3  LYS  20           HE1      LYS  20  -7.892  -7.356  -1.805
  132    HZ1  LYS  20           HZ1      LYS  20 -10.317  -7.558  -1.300
  133    HZ2  LYS  20           HZ2      LYS  20  -9.612  -8.944  -1.958
  134    HZ3  LYS  20           HZ3      LYS  20 -10.571  -7.942  -2.927
  135    H    SER  21           HN       SER  21  -9.032  -4.168   2.213
  136    HA   SER  21           HA       SER  21 -11.518  -5.639   2.591
  137    HB2  SER  21           HB2      SER  21  -8.926  -5.784   4.152
  138    HB3  SER  21           HB1      SER  21 -10.280  -6.907   4.268
  139    HG   SER  21           HG       SER  21  -8.370  -6.600   2.237
  140    H    ILE  22           HN       ILE  22 -10.169  -2.733   3.521
  141    HA   ILE  22           HA       ILE  22 -11.545  -2.671   6.114
  142    HB   ILE  22           HB       ILE  22  -9.539  -0.740   4.929
  143   HG12  ILE  22          HG12      ILE  22  -9.259  -2.712   7.209
  144   HG13  ILE  22          HG11      ILE  22  -8.574  -2.916   5.600
  145   HG21  ILE  22          HG21      ILE  22 -11.127   0.403   6.382
  146   HG22  ILE  22          HG22      ILE  22  -9.535   0.325   7.137
  147   HG23  ILE  22          HG23      ILE  22 -10.815  -0.767   7.663
  148   HD11  ILE  22          HD11      ILE  22  -6.887  -2.172   7.161
  149   HD12  ILE  22          HD12      ILE  22  -7.863  -0.762   7.579
  150   HD13  ILE  22          HD13      ILE  22  -7.196  -0.920   5.955
  151    H    LYS  23           HN       LYS  23 -13.446  -1.659   6.255
  152    HA   LYS  23           HA       LYS  23 -14.778  -0.504   4.102
  153    HB2  LYS  23           HB2      LYS  23 -15.703  -1.360   6.355
  154    HB3  LYS  23           HB1      LYS  23 -15.314   0.245   6.952
  155    HG2  LYS  23           HG2      LYS  23 -16.791   1.253   5.328
  156    HG3  LYS  23           HG1      LYS  23 -17.144  -0.338   4.651
  157    HD2  LYS  23           HD2      LYS  23 -18.936   0.401   6.140
  158    HD3  LYS  23           HD1      LYS  23 -18.129  -1.032   6.778
  159    HE2  LYS  23           HE2      LYS  23 -16.834   0.368   8.302
  160    HE3  LYS  23           HE1      LYS  23 -17.599   1.812   7.644
  161    HZ1  LYS  23           HZ1      LYS  23 -18.984  -0.382   9.084
  162    HZ2  LYS  23           HZ2      LYS  23 -19.732   0.990   8.437
  163    HZ3  LYS  23           HZ3      LYS  23 -18.630   1.151   9.710
  164    H    GLY  24           HN       GLY  24 -14.680   1.424   3.200
  165    HA2  GLY  24           HA2      GLY  24 -14.540   3.849   3.433
  166    HA3  GLY  24           HA1      GLY  24 -13.296   3.592   4.648
  167    H    TYR  25           HN       TYR  25 -12.123   1.408   2.899
  168    HA   TYR  25           HA       TYR  25 -10.888   3.163   0.869
  169    HB2  TYR  25           HB2      TYR  25  -9.514   0.933   2.387
  170    HB3  TYR  25           HB1      TYR  25  -8.779   1.973   1.179
  171    HD1  TYR  25           HD1      TYR  25  -8.823   1.366   4.533
  172    HD2  TYR  25           HD2      TYR  25  -9.255   4.616   1.827
  173    HE1  TYR  25           HE1      TYR  25  -8.160   2.929   6.311
  174    HE2  TYR  25           HE2      TYR  25  -8.588   6.187   3.592
  175    HH   TYR  25           HH       TYR  25  -7.128   5.240   6.439
  176    H    LYS  26           HN       LYS  26 -10.139   2.081  -1.071
  177    HA   LYS  26           HA       LYS  26 -11.075  -0.692  -1.347
  178    HB2  LYS  26           HB2      LYS  26 -11.774  -0.227  -3.689
  179    HB3  LYS  26           HB1      LYS  26 -12.767   0.553  -2.471
  180    HG2  LYS  26           HG2      LYS  26 -10.533   2.109  -3.643
  181    HG3  LYS  26           HG1      LYS  26 -11.956   1.806  -4.641
  182    HD2  LYS  26           HD2      LYS  26 -13.347   2.698  -2.746
  183    HD3  LYS  26           HD1      LYS  26 -11.841   3.190  -1.967
  184    HE2  LYS  26           HE2      LYS  26 -12.889   5.034  -3.209
  185    HE3  LYS  26           HE1      LYS  26 -11.302   4.621  -3.846
  186    HZ1  LYS  26           HZ1      LYS  26 -13.889   3.731  -4.999
  187    HZ2  LYS  26           HZ2      LYS  26 -12.356   3.398  -5.629
  188    HZ3  LYS  26           HZ3      LYS  26 -12.931   4.986  -5.603
  189    H    GLY  27           HN       GLY  27  -8.470   1.262  -1.376
  190    HA2  GLY  27           HA2      GLY  27  -6.805  -0.735  -2.485
  191    HA3  GLY  27           HA1      GLY  27  -7.030   0.553  -3.659
  192    H    GLY  28           HN       GLY  28  -4.529   0.134  -2.913
  193    HA2  GLY  28           HA2      GLY  28  -3.835   2.596  -1.589
  194    HA3  GLY  28           HA1      GLY  28  -3.388   1.158  -0.682
  195    H    TYR  29           HN       TYR  29  -1.533   3.056  -1.675
  196    HA   TYR  29           HA       TYR  29   0.094   1.300  -3.339
  197    HB2  TYR  29           HB2      TYR  29   0.639   3.147  -4.913
  198    HB3  TYR  29           HB1      TYR  29  -1.042   2.645  -5.011
  199    HD1  TYR  29           HD1      TYR  29  -2.823   4.107  -4.128
  200    HD2  TYR  29           HD2      TYR  29   1.243   5.353  -4.185
  201    HE1  TYR  29           HE1      TYR  29  -3.537   6.435  -3.796
  202    HE2  TYR  29           HE2      TYR  29   0.539   7.683  -3.849
  203    HH   TYR  29           HH       TYR  29  -2.661   8.532  -2.975
  204    H    CYS  30           HN       CYS  30   2.367   1.902  -3.331
  205    HA   CYS  30           HA       CYS  30   3.158   2.866  -0.754
  206    HB2  CYS  30           HB2      CYS  30   5.256   2.649  -2.812
  207    HB3  CYS  30           HB1      CYS  30   5.169   1.945  -1.210
  208    H    ALA  31           HN       ALA  31   2.823   4.980  -0.393
  209    HA   ALA  31           HA       ALA  31   3.939   6.901  -2.326
  210    HB1  ALA  31           HB1      ALA  31   1.791   7.336  -0.249
  211    HB2  ALA  31           HB2      ALA  31   1.524   7.133  -1.981
  212    HB3  ALA  31           HB3      ALA  31   2.396   8.543  -1.383
  213    H    LYS  32           HN       LYS  32   4.263   9.093  -0.875
  214    HA   LYS  32           HA       LYS  32   5.727  10.172   0.475
  215    HB2  LYS  32           HB2      LYS  32   4.807   8.000   2.349
  216    HB3  LYS  32           HB1      LYS  32   5.690   9.433   2.857
  217    HG2  LYS  32           HG2      LYS  32   2.965   9.390   1.568
  218    HG3  LYS  32           HG1      LYS  32   3.301   9.653   3.280
  219    HD2  LYS  32           HD2      LYS  32   4.616  11.661   2.663
  220    HD3  LYS  32           HD1      LYS  32   4.143  11.416   0.982
  221    HE2  LYS  32           HE2      LYS  32   1.793  11.666   1.603
  222    HE3  LYS  32           HE1      LYS  32   2.258  11.891   3.289
  223    HZ1  LYS  32           HZ1      LYS  32   1.885  14.021   2.332
  224    HZ2  LYS  32           HZ2      LYS  32   2.880  13.681   1.008
  225    HZ3  LYS  32           HZ3      LYS  32   3.556  13.856   2.547
  226    H    GLY  33           HN       GLY  33   7.176   8.823  -1.237
  227    HA2  GLY  33           HA2      GLY  33   9.479   8.381  -1.337
  228    HA3  GLY  33           HA1      GLY  33   9.456   7.966   0.370
  229    H    GLY  34           HN       GLY  34   6.886   6.407  -0.877
  230    HA2  GLY  34           HA2      GLY  34   6.624   4.318  -1.944
  231    HA3  GLY  34           HA1      GLY  34   8.369   4.106  -1.907
  232    H    PHE  35           HN       PHE  35   6.857   5.187   0.977
  233    HA   PHE  35           HA       PHE  35   7.290   2.518   2.131
  234    HB2  PHE  35           HB2      PHE  35   7.466   5.246   3.432
  235    HB3  PHE  35           HB1      PHE  35   7.574   3.729   4.313
  236    HD1  PHE  35           HD1      PHE  35   9.242   5.900   1.863
  237    HD2  PHE  35           HD2      PHE  35   9.583   2.453   4.333
  238    HE1  PHE  35           HE1      PHE  35  11.666   5.847   1.448
  239    HE2  PHE  35           HE2      PHE  35  12.008   2.395   3.924
  240    HZ   PHE  35           HZ       PHE  35  13.061   4.111   2.538
  241    H    VAL  36           HN       VAL  36   5.307   5.439   2.584
  242    HA   VAL  36           HA       VAL  36   3.417   4.001   4.213
  243    HB   VAL  36           HB       VAL  36   3.273   6.819   3.122
  244   HG11  VAL  36          HG11      VAL  36   1.592   7.178   4.887
  245   HG12  VAL  36          HG12      VAL  36   1.647   5.458   5.267
  246   HG13  VAL  36          HG13      VAL  36   1.068   5.995   3.689
  247   HG21  VAL  36          HG21      VAL  36   4.147   5.818   5.829
  248   HG22  VAL  36          HG22      VAL  36   3.981   7.509   5.359
  249   HG23  VAL  36          HG23      VAL  36   5.196   6.494   4.585
  250    H    CYS  37           HN       CYS  37   1.931   2.719   3.338
  251    HA   CYS  37           HA       CYS  37   1.147   2.957   0.608
  252    HB2  CYS  37           HB2      CYS  37   0.158   1.229   2.876
  253    HB3  CYS  37           HB1      CYS  37  -0.417   1.114   1.226
  254    H    LYS  38           HN       LYS  38   0.148   4.894   0.291
  255    HA   LYS  38           HA       LYS  38  -1.951   5.820   2.014
  256    HB2  LYS  38           HB2      LYS  38  -0.347   7.164   0.467
  257    HB3  LYS  38           HB1      LYS  38  -1.537   6.844  -0.773
  258    HG2  LYS  38           HG2      LYS  38  -2.192   8.154   1.838
  259    HG3  LYS  38           HG1      LYS  38  -1.733   9.044   0.388
  260    HD2  LYS  38           HD2      LYS  38  -3.647   7.618  -0.707
  261    HD3  LYS  38           HD1      LYS  38  -4.209   7.488   0.963
  262    HE2  LYS  38           HE2      LYS  38  -4.133   9.935   1.148
  263    HE3  LYS  38           HE1      LYS  38  -3.637  10.021  -0.539
  264    HZ1  LYS  38           HZ1      LYS  38  -5.995  10.420  -0.325
  265    HZ2  LYS  38           HZ2      LYS  38  -6.218   8.945   0.463
  266    HZ3  LYS  38           HZ3      LYS  38  -5.736   8.973  -1.159
  267    H    CYS  39           HN       CYS  39  -4.017   5.474   1.837
  268    HA   CYS  39           HA       CYS  39  -4.872   3.668  -0.313
  269    HB2  CYS  39           HB2      CYS  39  -5.741   3.730   2.578
  270    HB3  CYS  39           HB1      CYS  39  -6.470   2.707   1.341
  271    H    TYR  40           HN       TYR  40  -6.865   3.881  -1.214
  272    HA   TYR  40           HA       TYR  40  -8.141   6.483  -0.750
  273    HB2  TYR  40           HB2      TYR  40  -8.798   6.340  -3.203
  274    HB3  TYR  40           HB1      TYR  40  -7.101   6.646  -2.866
  275    HD1  TYR  40           HD1      TYR  40  -5.408   5.055  -3.499
  276    HD2  TYR  40           HD2      TYR  40  -9.523   4.150  -4.063
  277    HE1  TYR  40           HE1      TYR  40  -4.786   3.139  -4.901
  278    HE2  TYR  40           HE2      TYR  40  -8.912   2.230  -5.468
  279    HH   TYR  40           HH       TYR  40  -5.723   1.022  -5.652
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   5.823  -1.072   7.155
    2    H2   GLY   1           HT2      GLY   1   6.458   0.048   6.063
    3    H3   GLY   1           HT3      GLY   1   6.545  -1.607   5.723
    4    HA2  GLY   1           HA1      GLY   1   4.058  -0.003   5.912
    5    HA3  GLY   1           HA2      GLY   1   4.809  -0.549   4.419
    6    H    PHE   2           HN       PHE   2   2.677  -1.553   4.071
    7    HA   PHE   2           HA       PHE   2   2.351  -4.033   5.574
    8    HB2  PHE   2           HB2      PHE   2   0.304  -2.426   4.043
    9    HB3  PHE   2           HB1      PHE   2  -0.013  -4.000   4.766
   10    HD1  PHE   2           HD1      PHE   2   0.055  -4.257   7.227
   11    HD2  PHE   2           HD2      PHE   2   0.310  -0.449   5.344
   12    HE1  PHE   2           HE1      PHE   2  -0.518  -3.171   9.356
   13    HE2  PHE   2           HE2      PHE   2  -0.261   0.643   7.476
   14    HZ   PHE   2           HZ       PHE   2  -0.676  -0.718   9.483
   15    H    GLY   3           HN       GLY   3   4.086  -4.813   4.154
   16    HA2  GLY   3           HA2      GLY   3   4.390  -6.470   2.464
   17    HA3  GLY   3           HA1      GLY   3   3.019  -5.786   1.595
   18    H    CYS   4           HN       CYS   4   3.475  -3.234   1.355
   19    HA   CYS   4           HA       CYS   4   5.934  -2.967  -0.158
   20    HB2  CYS   4           HB2      CYS   4   4.043  -1.959  -1.186
   21    HB3  CYS   4           HB1      CYS   4   3.555  -1.176   0.312
   22    H    ASN   5           HN       ASN   5   7.728  -1.978   0.567
   23    HA   ASN   5           HA       ASN   5   7.561  -0.519   3.110
   24    HB2  ASN   5           HB2      ASN   5   9.467  -2.788   2.505
   25    HB3  ASN   5           HB1      ASN   5   9.633  -1.700   3.879
   26   HD21  ASN   5          HD21      ASN   5   7.869  -4.338   2.513
   27   HD22  ASN   5          HD22      ASN   5   6.957  -4.730   3.927
   28    H    GLY   6           HN       GLY   6   7.874   0.412   0.394
   29    HA2  GLY   6           HA2      GLY   6   9.145   2.510   0.122
   30    HA3  GLY   6           HA1      GLY   6  10.557   1.620   0.664
   31    HA   PRO   7           HA       PRO   7  10.035   2.052  -4.104
   32    HB2  PRO   7           HB2      PRO   7  12.764   2.700  -4.299
   33    HB3  PRO   7           HB1      PRO   7  11.405   3.819  -4.407
   34    HG2  PRO   7           HG2      PRO   7  13.139   3.163  -2.073
   35    HG3  PRO   7           HG1      PRO   7  12.425   4.717  -2.541
   36    HD2  PRO   7           HD2      PRO   7  11.400   3.313  -0.533
   37    HD3  PRO   7           HD1      PRO   7  10.334   4.153  -1.682
   38    H    TRP   8           HN       TRP   8  12.410   0.523  -2.024
   39    HA   TRP   8           HA       TRP   8  13.538  -1.154  -4.035
   40    HB2  TRP   8           HB2      TRP   8  14.719  -2.238  -2.242
   41    HB3  TRP   8           HB1      TRP   8  14.693  -0.512  -1.904
   42    HD1  TRP   8           HD1      TRP   8  12.599   0.214  -0.102
   43    HE1  TRP   8           HE1      TRP   8  11.929  -1.001   2.064
   44    HE3  TRP   8           HE3      TRP   8  14.649  -4.361  -1.086
   45    HZ2  TRP   8           HZ2      TRP   8  12.232  -3.564   3.201
   46    HZ3  TRP   8           HZ3      TRP   8  14.412  -6.143   0.595
   47    HH2  TRP   8           HH2      TRP   8  13.229  -5.751   2.693
   48    H    ASN   9           HN       ASN   9  10.645  -1.265  -2.246
   49    HA   ASN   9           HA       ASN   9   9.972  -3.898  -3.197
   50    HB2  ASN   9           HB2      ASN   9  11.352  -4.412  -1.210
   51    HB3  ASN   9           HB1      ASN   9  10.295  -3.412  -0.223
   52   HD21  ASN   9          HD21      ASN   9   9.839  -5.165   1.116
   53   HD22  ASN   9          HD22      ASN   9   8.777  -6.437   0.625
   54    H    GLU  10           HN       GLU  10   8.581  -1.982  -4.049
   55    HA   GLU  10           HA       GLU  10   6.460  -1.221  -2.207
   56    HB2  GLU  10           HB2      GLU  10   6.727  -0.538  -5.140
   57    HB3  GLU  10           HB1      GLU  10   5.598   0.169  -4.003
   58    HG2  GLU  10           HG2      GLU  10   7.449   1.154  -2.765
   59    HG3  GLU  10           HG1      GLU  10   8.588   0.433  -3.901
   60    H    ASP  11           HN       ASP  11   5.784  -3.491  -1.946
   61    HA   ASP  11           HA       ASP  11   4.479  -4.782  -4.141
   62    HB2  ASP  11           HB2      ASP  11   5.375  -5.947  -2.058
   63    HB3  ASP  11           HB1      ASP  11   3.956  -5.324  -1.219
   64    H    ASP  12           HN       ASP  12   2.938  -3.573  -5.052
   65    HA   ASP  12           HA       ASP  12   1.236  -1.820  -3.615
   66    HB2  ASP  12           HB2      ASP  12   0.287  -1.261  -5.688
   67    HB3  ASP  12           HB1      ASP  12   1.935  -1.718  -6.092
   68    H    LEU  13           HN       LEU  13   1.022  -5.118  -4.630
   69    HA   LEU  13           HA       LEU  13  -1.754  -5.479  -4.533
   70    HB2  LEU  13           HB2      LEU  13  -0.060  -7.045  -5.515
   71    HB3  LEU  13           HB1      LEU  13   0.357  -7.535  -3.893
   72    HG   LEU  13           HG       LEU  13  -1.281  -9.007  -5.284
   73   HD11  LEU  13          HD11      LEU  13  -0.695  -9.343  -2.924
   74   HD12  LEU  13          HD12      LEU  13  -2.370  -9.754  -3.292
   75   HD13  LEU  13          HD13      LEU  13  -1.996  -8.235  -2.476
   76   HD21  LEU  13          HD21      LEU  13  -3.185  -6.936  -4.219
   77   HD22  LEU  13          HD22      LEU  13  -3.614  -8.431  -5.047
   78   HD23  LEU  13          HD23      LEU  13  -2.767  -7.154  -5.918
   79    H    ARG  14           HN       ARG  14   0.700  -6.224  -2.074
   80    HA   ARG  14           HA       ARG  14  -1.024  -7.104  -0.064
   81    HB2  ARG  14           HB2      ARG  14   1.612  -5.642   0.155
   82    HB3  ARG  14           HB1      ARG  14   0.781  -6.353   1.526
   83    HG2  ARG  14           HG2      ARG  14   1.778  -7.852  -0.886
   84    HG3  ARG  14           HG1      ARG  14   2.569  -7.788   0.689
   85    HD2  ARG  14           HD2      ARG  14  -0.159  -8.929   0.109
   86    HD3  ARG  14           HD1      ARG  14   1.305  -9.852   0.427
   87    HE   ARG  14           HE       ARG  14  -0.029  -8.116   2.406
   88   HH11  ARG  14          HH11      ARG  14   1.885 -10.933   1.594
   89   HH12  ARG  14          HH12      ARG  14   1.928 -11.529   3.221
   90   HH21  ARG  14          HH21      ARG  14   0.020  -8.896   4.546
   91   HH22  ARG  14          HH22      ARG  14   0.862 -10.369   4.903
   92    H    CYS  15           HN       CYS  15   0.314  -3.811  -0.398
   93    HA   CYS  15           HA       CYS  15  -1.184  -2.685   1.662
   94    HB2  CYS  15           HB2      CYS  15   0.082  -1.454  -0.784
   95    HB3  CYS  15           HB1      CYS  15  -0.566  -0.541   0.564
   96    H    HIS  16           HN       HIS  16  -1.909  -3.100  -1.762
   97    HA   HIS  16           HA       HIS  16  -4.342  -1.716  -1.889
   98    HB2  HIS  16           HB2      HIS  16  -3.502  -2.484  -3.938
   99    HB3  HIS  16           HB1      HIS  16  -3.188  -4.094  -3.322
  100    HD1  HIS  16           HD1      HIS  16  -5.985  -1.946  -4.659
  101    HD2  HIS  16           HD2      HIS  16  -5.220  -5.913  -3.651
  102    HE1  HIS  16           HE1      HIS  16  -7.960  -3.250  -5.503
  103    HE2  HIS  16           HE2      HIS  16  -7.532  -5.627  -4.786
  104    H    ASN  17           HN       ASN  17  -3.678  -5.096  -1.058
  105    HA   ASN  17           HA       ASN  17  -6.353  -5.776  -0.458
  106    HB2  ASN  17           HB2      ASN  17  -3.694  -7.023   0.169
  107    HB3  ASN  17           HB1      ASN  17  -5.183  -7.718   0.777
  108   HD21  ASN  17          HD21      ASN  17  -3.376  -8.962  -0.984
  109   HD22  ASN  17          HD22      ASN  17  -4.163  -9.213  -2.509
  110    H    HIS  18           HN       HIS  18  -3.755  -4.405   1.444
  111    HA   HIS  18           HA       HIS  18  -4.885  -4.709   3.993
  112    HB2  HIS  18           HB2      HIS  18  -2.608  -3.966   3.824
  113    HB3  HIS  18           HB1      HIS  18  -3.074  -2.568   2.865
  114    HD1  HIS  18           HD1      HIS  18  -3.813  -3.897   6.371
  115    HD2  HIS  18           HD2      HIS  18  -3.199  -0.327   4.336
  116    HE1  HIS  18           HE1      HIS  18  -3.937  -2.091   8.116
  117    HE2  HIS  18           HE2      HIS  18  -3.704   0.067   6.841
  118    H    CYS  19           HN       CYS  19  -5.304  -2.196   1.543
  119    HA   CYS  19           HA       CYS  19  -7.143  -0.702   3.153
  120    HB2  CYS  19           HB2      CYS  19  -6.418  -0.537   0.230
  121    HB3  CYS  19           HB1      CYS  19  -7.526   0.571   1.025
  122    H    LYS  20           HN       LYS  20  -7.387  -3.469   1.193
  123    HA   LYS  20           HA       LYS  20 -10.193  -3.250   0.643
  124    HB2  LYS  20           HB2      LYS  20  -8.327  -5.619   0.635
  125    HB3  LYS  20           HB1      LYS  20 -10.019  -5.715   0.177
  126    HG2  LYS  20           HG2      LYS  20  -7.962  -3.994  -1.187
  127    HG3  LYS  20           HG1      LYS  20  -8.491  -5.576  -1.749
  128    HD2  LYS  20           HD2      LYS  20 -10.301  -3.194  -1.368
  129    HD3  LYS  20           HD1      LYS  20  -9.603  -3.690  -2.910
  130    HE2  LYS  20           HE2      LYS  20 -10.710  -5.876  -2.665
  131    HE3  LYS  20           HE1      LYS  20 -11.471  -5.305  -1.183
  132    HZ1  LYS  20           HZ1      LYS  20 -11.847  -4.114  -3.875
  133    HZ2  LYS  20           HZ2      LYS  20 -12.591  -3.593  -2.450
  134    HZ3  LYS  20           HZ3      LYS  20 -12.953  -5.117  -3.082
  135    H    SER  21           HN       SER  21  -8.222  -4.314   3.283
  136    HA   SER  21           HA       SER  21 -10.284  -5.676   4.715
  137    HB2  SER  21           HB2      SER  21  -7.760  -4.404   5.811
  138    HB3  SER  21           HB1      SER  21  -8.722  -5.672   6.571
  139    HG   SER  21           HG       SER  21  -8.163  -7.035   4.802
  140    H    ILE  22           HN       ILE  22  -9.476  -2.409   4.156
  141    HA   ILE  22           HA       ILE  22 -11.041  -1.461   6.439
  142    HB   ILE  22           HB       ILE  22  -9.462   0.216   4.485
  143   HG12  ILE  22          HG12      ILE  22  -8.551  -0.812   7.181
  144   HG13  ILE  22          HG11      ILE  22  -7.994  -1.440   5.634
  145   HG21  ILE  22          HG21      ILE  22 -11.146   1.414   5.763
  146   HG22  ILE  22          HG22      ILE  22  -9.529   1.872   6.301
  147   HG23  ILE  22          HG23      ILE  22 -10.498   0.758   7.267
  148   HD11  ILE  22          HD11      ILE  22  -7.036   0.739   5.099
  149   HD12  ILE  22          HD12      ILE  22  -6.381   0.094   6.604
  150   HD13  ILE  22          HD13      ILE  22  -7.603   1.367   6.646
  151    H    LYS  23           HN       LYS  23 -12.992  -0.501   6.140
  152    HA   LYS  23           HA       LYS  23 -14.243  -0.801   3.585
  153    HB2  LYS  23           HB2      LYS  23 -15.592  -1.298   5.446
  154    HB3  LYS  23           HB1      LYS  23 -15.184   0.204   6.260
  155    HG2  LYS  23           HG2      LYS  23 -16.466   1.457   4.662
  156    HG3  LYS  23           HG1      LYS  23 -16.799  -0.001   3.730
  157    HD2  LYS  23           HD2      LYS  23 -17.683   0.502   6.574
  158    HD3  LYS  23           HD1      LYS  23 -18.704   0.657   5.145
  159    HE2  LYS  23           HE2      LYS  23 -18.291  -1.741   4.651
  160    HE3  LYS  23           HE1      LYS  23 -17.390  -1.861   6.160
  161    HZ1  LYS  23           HZ1      LYS  23 -19.397  -1.222   7.355
  162    HZ2  LYS  23           HZ2      LYS  23 -19.650  -2.621   6.442
  163    HZ3  LYS  23           HZ3      LYS  23 -20.258  -1.140   5.900
  164    H    GLY  24           HN       GLY  24 -14.817   0.704   2.145
  165    HA2  GLY  24           HA2      GLY  24 -15.392   2.950   1.530
  166    HA3  GLY  24           HA1      GLY  24 -14.314   3.531   2.787
  167    H    TYR  25           HN       TYR  25 -12.343   1.372   1.719
  168    HA   TYR  25           HA       TYR  25 -11.277   3.132  -0.390
  169    HB2  TYR  25           HB2      TYR  25  -9.700   1.398   1.515
  170    HB3  TYR  25           HB1      TYR  25  -9.050   2.561   0.364
  171    HD1  TYR  25           HD1      TYR  25  -9.960   2.046   3.708
  172    HD2  TYR  25           HD2      TYR  25  -9.940   5.040   0.689
  173    HE1  TYR  25           HE1      TYR  25 -10.066   3.783   5.442
  174    HE2  TYR  25           HE2      TYR  25 -10.044   6.788   2.416
  175    HH   TYR  25           HH       TYR  25  -9.517   6.124   5.731
  176    H    LYS  26           HN       LYS  26 -10.404   2.238  -2.228
  177    HA   LYS  26           HA       LYS  26 -11.203  -0.518  -2.768
  178    HB2  LYS  26           HB2      LYS  26  -9.876   1.207  -4.820
  179    HB3  LYS  26           HB1      LYS  26 -11.117  -0.016  -5.030
  180    HG2  LYS  26           HG2      LYS  26 -11.522   2.731  -3.872
  181    HG3  LYS  26           HG1      LYS  26 -11.957   2.216  -5.498
  182    HD2  LYS  26           HD2      LYS  26 -13.498   0.544  -4.500
  183    HD3  LYS  26           HD1      LYS  26 -13.114   1.207  -2.908
  184    HE2  LYS  26           HE2      LYS  26 -13.945   3.385  -3.596
  185    HE3  LYS  26           HE1      LYS  26 -14.296   2.755  -5.204
  186    HZ1  LYS  26           HZ1      LYS  26 -15.887   1.226  -4.205
  187    HZ2  LYS  26           HZ2      LYS  26 -16.284   2.829  -3.858
  188    HZ3  LYS  26           HZ3      LYS  26 -15.565   1.863  -2.674
  189    H    GLY  27           HN       GLY  27  -8.349   1.399  -2.268
  190    HA2  GLY  27           HA2      GLY  27  -6.672  -0.872  -2.038
  191    HA3  GLY  27           HA1      GLY  27  -6.419  -0.085  -3.589
  192    H    GLY  28           HN       GLY  28  -4.214   0.106  -2.573
  193    HA2  GLY  28           HA2      GLY  28  -4.004   2.692  -1.235
  194    HA3  GLY  28           HA1      GLY  28  -3.325   1.301  -0.402
  195    H    TYR  29           HN       TYR  29  -1.821   3.556  -1.218
  196    HA   TYR  29           HA       TYR  29  -0.049   2.288  -3.184
  197    HB2  TYR  29           HB2      TYR  29   0.276   4.740  -4.075
  198    HB3  TYR  29           HB1      TYR  29  -1.046   3.745  -4.671
  199    HD1  TYR  29           HD1      TYR  29  -3.308   4.361  -4.306
  200    HD2  TYR  29           HD2      TYR  29  -0.192   6.532  -2.389
  201    HE1  TYR  29           HE1      TYR  29  -4.926   6.089  -3.650
  202    HE2  TYR  29           HE2      TYR  29  -1.803   8.267  -1.728
  203    HH   TYR  29           HH       TYR  29  -5.200   7.826  -1.996
  204    H    CYS  30           HN       CYS  30   2.117   2.755  -2.963
  205    HA   CYS  30           HA       CYS  30   2.925   3.464  -0.319
  206    HB2  CYS  30           HB2      CYS  30   4.779   3.096  -2.676
  207    HB3  CYS  30           HB1      CYS  30   5.106   2.819  -0.971
  208    H    ALA  31           HN       ALA  31   2.494   5.557   0.119
  209    HA   ALA  31           HA       ALA  31   3.697   7.609  -1.617
  210    HB1  ALA  31           HB1      ALA  31   1.281   7.820  -1.382
  211    HB2  ALA  31           HB2      ALA  31   2.095   9.170  -0.594
  212    HB3  ALA  31           HB3      ALA  31   1.438   7.851   0.373
  213    H    LYS  32           HN       LYS  32   3.826   9.714   0.073
  214    HA   LYS  32           HA       LYS  32   5.271  10.727   1.496
  215    HB2  LYS  32           HB2      LYS  32   4.441   8.367   3.171
  216    HB3  LYS  32           HB1      LYS  32   5.321   9.747   3.803
  217    HG2  LYS  32           HG2      LYS  32   2.578   9.833   2.556
  218    HG3  LYS  32           HG1      LYS  32   2.924   9.870   4.286
  219    HD2  LYS  32           HD2      LYS  32   3.876  11.925   2.290
  220    HD3  LYS  32           HD1      LYS  32   2.468  12.111   3.334
  221    HE2  LYS  32           HE2      LYS  32   3.868  11.989   5.303
  222    HE3  LYS  32           HE1      LYS  32   5.287  11.665   4.311
  223    HZ1  LYS  32           HZ1      LYS  32   3.683  14.161   4.244
  224    HZ2  LYS  32           HZ2      LYS  32   5.065  13.848   3.324
  225    HZ3  LYS  32           HZ3      LYS  32   5.182  13.978   5.006
  226    H    GLY  33           HN       GLY  33   6.860   9.910  -0.218
  227    HA2  GLY  33           HA2      GLY  33   9.149   9.469  -0.405
  228    HA3  GLY  33           HA1      GLY  33   9.119   8.744   1.196
  229    H    GLY  34           HN       GLY  34   6.579   7.381  -0.174
  230    HA2  GLY  34           HA2      GLY  34   6.246   5.548  -1.612
  231    HA3  GLY  34           HA1      GLY  34   7.989   5.385  -1.771
  232    H    PHE  35           HN       PHE  35   6.985   5.810   1.438
  233    HA   PHE  35           HA       PHE  35   7.423   2.939   1.895
  234    HB2  PHE  35           HB2      PHE  35   8.043   5.337   3.616
  235    HB3  PHE  35           HB1      PHE  35   8.080   3.693   4.238
  236    HD1  PHE  35           HD1      PHE  35   9.605   5.961   1.740
  237    HD2  PHE  35           HD2      PHE  35   9.949   2.323   3.918
  238    HE1  PHE  35           HE1      PHE  35  11.932   5.727   0.978
  239    HE2  PHE  35           HE2      PHE  35  12.275   2.083   3.159
  240    HZ   PHE  35           HZ       PHE  35  13.269   3.786   1.686
  241    H    VAL  36           HN       VAL  36   5.182   5.526   2.367
  242    HA   VAL  36           HA       VAL  36   3.735   3.984   4.403
  243    HB   VAL  36           HB       VAL  36   3.272   6.838   3.521
  244   HG11  VAL  36          HG11      VAL  36   2.126   5.280   5.837
  245   HG12  VAL  36          HG12      VAL  36   1.256   5.782   4.389
  246   HG13  VAL  36          HG13      VAL  36   1.860   6.994   5.518
  247   HG21  VAL  36          HG21      VAL  36   4.639   5.763   5.988
  248   HG22  VAL  36          HG22      VAL  36   4.282   7.460   5.668
  249   HG23  VAL  36          HG23      VAL  36   5.423   6.589   4.641
  250    H    CYS  37           HN       CYS  37   2.427   2.557   3.499
  251    HA   CYS  37           HA       CYS  37   1.144   2.920   0.994
  252    HB2  CYS  37           HB2      CYS  37   0.883   0.905   3.213
  253    HB3  CYS  37           HB1      CYS  37  -0.092   0.836   1.762
  254    H    LYS  38           HN       LYS  38  -0.159   4.698   1.015
  255    HA   LYS  38           HA       LYS  38  -2.175   4.938   3.109
  256    HB2  LYS  38           HB2      LYS  38  -0.853   6.916   2.209
  257    HB3  LYS  38           HB1      LYS  38  -1.810   6.770   0.749
  258    HG2  LYS  38           HG2      LYS  38  -3.856   7.053   2.078
  259    HG3  LYS  38           HG1      LYS  38  -2.871   7.267   3.522
  260    HD2  LYS  38           HD2      LYS  38  -3.449   9.423   2.811
  261    HD3  LYS  38           HD1      LYS  38  -1.771   9.202   2.317
  262    HE2  LYS  38           HE2      LYS  38  -2.906  10.240   0.505
  263    HE3  LYS  38           HE1      LYS  38  -2.632   8.562   0.050
  264    HZ1  LYS  38           HZ1      LYS  38  -4.861   9.251  -0.533
  265    HZ2  LYS  38           HZ2      LYS  38  -5.185   9.693   1.066
  266    HZ3  LYS  38           HZ3      LYS  38  -4.930   8.066   0.674
  267    H    CYS  39           HN       CYS  39  -4.338   4.889   2.719
  268    HA   CYS  39           HA       CYS  39  -5.176   3.381   0.396
  269    HB2  CYS  39           HB2      CYS  39  -6.768   4.524   2.706
  270    HB3  CYS  39           HB1      CYS  39  -7.414   3.462   1.460
  271    H    TYR  40           HN       TYR  40  -7.158   4.217  -0.815
  272    HA   TYR  40           HA       TYR  40  -6.520   6.412  -2.301
  273    HB2  TYR  40           HB2      TYR  40  -9.212   5.202  -1.736
  274    HB3  TYR  40           HB1      TYR  40  -9.005   6.544  -2.851
  275    HD1  TYR  40           HD1      TYR  40  -6.130   4.523  -3.010
  276    HD2  TYR  40           HD2      TYR  40 -10.190   4.663  -4.261
  277    HE1  TYR  40           HE1      TYR  40  -5.624   2.928  -4.809
  278    HE2  TYR  40           HE2      TYR  40  -9.698   3.073  -6.055
  279    HH   TYR  40           HH       TYR  40  -7.765   2.303  -7.368
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   5.746  -5.810   7.715
    2    H2   GLY   1           HT2      GLY   1   4.613  -5.228   8.827
    3    H3   GLY   1           HT3      GLY   1   6.116  -4.467   8.673
    4    HA2  GLY   1           HA1      GLY   1   4.421  -3.160   7.588
    5    HA3  GLY   1           HA2      GLY   1   5.583  -3.784   6.425
    6    H    PHE   2           HN       PHE   2   3.351  -3.039   5.304
    7    HA   PHE   2           HA       PHE   2   1.758  -5.466   4.960
    8    HB2  PHE   2           HB2      PHE   2   0.880  -2.633   4.381
    9    HB3  PHE   2           HB1      PHE   2  -0.124  -4.077   4.338
   10    HD1  PHE   2           HD1      PHE   2  -0.400  -5.366   6.551
   11    HD2  PHE   2           HD2      PHE   2   1.004  -1.357   6.303
   12    HE1  PHE   2           HE1      PHE   2  -1.006  -5.010   8.911
   13    HE2  PHE   2           HE2      PHE   2   0.403  -0.993   8.660
   14    HZ   PHE   2           HZ       PHE   2  -0.603  -2.820   9.969
   15    H    GLY   3           HN       GLY   3   3.997  -5.548   3.590
   16    HA2  GLY   3           HA2      GLY   3   4.603  -6.073   1.403
   17    HA3  GLY   3           HA1      GLY   3   3.124  -5.309   0.837
   18    H    CYS   4           HN       CYS   4   3.304  -2.818   1.852
   19    HA   CYS   4           HA       CYS   4   5.201  -1.561   0.138
   20    HB2  CYS   4           HB2      CYS   4   3.013  -0.560   0.625
   21    HB3  CYS   4           HB1      CYS   4   3.454  -0.402   2.321
   22    H    ASN   5           HN       ASN   5   7.287  -2.033   0.716
   23    HA   ASN   5           HA       ASN   5   8.080  -1.456   3.497
   24    HB2  ASN   5           HB2      ASN   5   9.210  -3.327   1.431
   25    HB3  ASN   5           HB1      ASN   5  10.173  -2.808   2.807
   26   HD21  ASN   5          HD21      ASN   5   6.723  -3.321   2.999
   27   HD22  ASN   5          HD22      ASN   5   6.797  -4.741   3.981
   28    H    GLY   6           HN       GLY   6   7.989   0.104   0.696
   29    HA2  GLY   6           HA2      GLY   6   9.303   2.276   0.912
   30    HA3  GLY   6           HA1      GLY   6  10.707   1.217   0.920
   31    HA   PRO   7           HA       PRO   7   9.428   2.558  -3.466
   32    HB2  PRO   7           HB2      PRO   7  11.871   3.646  -4.088
   33    HB3  PRO   7           HB1      PRO   7  10.500   4.566  -3.472
   34    HG2  PRO   7           HG2      PRO   7  12.872   3.498  -2.003
   35    HG3  PRO   7           HG1      PRO   7  12.066   5.068  -1.838
   36    HD2  PRO   7           HD2      PRO   7  11.653   3.082  -0.082
   37    HD3  PRO   7           HD1      PRO   7  10.350   4.194  -0.550
   38    H    TRP   8           HN       TRP   8  12.142   0.984  -1.997
   39    HA   TRP   8           HA       TRP   8  13.120  -0.313  -4.346
   40    HB2  TRP   8           HB2      TRP   8  14.503  -1.602  -2.822
   41    HB3  TRP   8           HB1      TRP   8  14.498   0.080  -2.307
   42    HD1  TRP   8           HD1      TRP   8  12.378   0.502  -0.324
   43    HE1  TRP   8           HE1      TRP   8  12.026  -0.903   1.796
   44    HE3  TRP   8           HE3      TRP   8  14.865  -3.726  -1.748
   45    HZ2  TRP   8           HZ2      TRP   8  12.710  -3.465   2.737
   46    HZ3  TRP   8           HZ3      TRP   8  14.967  -5.613  -0.173
   47    HH2  TRP   8           HH2      TRP   8  13.912  -5.484   2.023
   48    H    ASN   9           HN       ASN   9  10.477  -0.821  -2.261
   49    HA   ASN   9           HA       ASN   9   9.832  -3.360  -3.505
   50    HB2  ASN   9           HB2      ASN   9  11.255  -3.864  -1.478
   51    HB3  ASN   9           HB1      ASN   9   9.998  -3.129  -0.492
   52   HD21  ASN   9          HD21      ASN   9   8.027  -4.227  -0.228
   53   HD22  ASN   9          HD22      ASN   9   7.859  -5.903  -0.622
   54    H    GLU  10           HN       GLU  10   8.370  -1.576  -4.287
   55    HA   GLU  10           HA       GLU  10   6.311  -0.732  -2.420
   56    HB2  GLU  10           HB2      GLU  10   6.603  -0.185  -5.381
   57    HB3  GLU  10           HB1      GLU  10   5.430   0.563  -4.313
   58    HG2  GLU  10           HG2      GLU  10   7.226   1.618  -3.061
   59    HG3  GLU  10           HG1      GLU  10   8.414   0.849  -4.111
   60    H    ASP  11           HN       ASP  11   5.823  -3.144  -2.174
   61    HA   ASP  11           HA       ASP  11   4.596  -4.555  -4.281
   62    HB2  ASP  11           HB2      ASP  11   5.452  -5.692  -2.280
   63    HB3  ASP  11           HB1      ASP  11   4.197  -4.924  -1.307
   64    H    ASP  12           HN       ASP  12   2.811  -4.124  -5.268
   65    HA   ASP  12           HA       ASP  12   0.992  -2.146  -4.312
   66    HB2  ASP  12           HB2      ASP  12   1.414  -2.220  -6.662
   67    HB3  ASP  12           HB1      ASP  12   1.006  -3.930  -6.745
   68    H    LEU  13           HN       LEU  13   0.910  -5.658  -4.629
   69    HA   LEU  13           HA       LEU  13  -1.881  -5.923  -4.482
   70    HB2  LEU  13           HB2      LEU  13   0.183  -7.551  -5.089
   71    HB3  LEU  13           HB1      LEU  13  -0.209  -8.134  -3.492
   72    HG   LEU  13           HG       LEU  13  -1.388  -9.507  -5.042
   73   HD11  LEU  13          HD11      LEU  13  -2.654  -8.857  -3.069
   74   HD12  LEU  13          HD12      LEU  13  -3.698  -9.156  -4.455
   75   HD13  LEU  13          HD13      LEU  13  -3.342  -7.501  -3.958
   76   HD21  LEU  13          HD21      LEU  13  -1.241  -7.955  -6.959
   77   HD22  LEU  13          HD22      LEU  13  -2.545  -7.000  -6.247
   78   HD23  LEU  13          HD23      LEU  13  -2.845  -8.658  -6.764
   79    H    ARG  14           HN       ARG  14   0.623  -6.500  -1.985
   80    HA   ARG  14           HA       ARG  14  -1.177  -7.177   0.058
   81    HB2  ARG  14           HB2      ARG  14   1.663  -6.425  -0.131
   82    HB3  ARG  14           HB1      ARG  14   0.918  -6.161   1.437
   83    HG2  ARG  14           HG2      ARG  14   2.071  -8.365   1.094
   84    HG3  ARG  14           HG1      ARG  14   0.420  -8.447   1.699
   85    HD2  ARG  14           HD2      ARG  14   0.771 -10.144   0.012
   86    HD3  ARG  14           HD1      ARG  14  -0.356  -8.933  -0.591
   87    HE   ARG  14           HE       ARG  14   2.105  -8.110  -1.488
   88   HH11  ARG  14          HH11      ARG  14   0.148 -10.999  -1.825
   89   HH12  ARG  14          HH12      ARG  14   0.796 -11.410  -3.381
   90   HH21  ARG  14          HH21      ARG  14   2.960  -8.643  -3.526
   91   HH22  ARG  14          HH22      ARG  14   2.394 -10.070  -4.352
   92    H    CYS  15           HN       CYS  15   0.220  -4.023  -0.799
   93    HA   CYS  15           HA       CYS  15  -1.011  -2.587   1.310
   94    HB2  CYS  15           HB2      CYS  15   0.892  -1.747  -0.089
   95    HB3  CYS  15           HB1      CYS  15  -0.235  -1.538  -1.423
   96    H    HIS  16           HN       HIS  16  -1.980  -3.353  -1.989
   97    HA   HIS  16           HA       HIS  16  -4.429  -2.004  -2.087
   98    HB2  HIS  16           HB2      HIS  16  -3.354  -2.980  -4.050
   99    HB3  HIS  16           HB1      HIS  16  -3.554  -4.590  -3.391
  100    HD1  HIS  16           HD1      HIS  16  -5.636  -1.741  -4.772
  101    HD2  HIS  16           HD2      HIS  16  -5.839  -5.845  -4.156
  102    HE1  HIS  16           HE1      HIS  16  -7.764  -2.483  -5.883
  103    HE2  HIS  16           HE2      HIS  16  -7.782  -4.987  -5.637
  104    H    ASN  17           HN       ASN  17  -3.631  -5.273  -0.948
  105    HA   ASN  17           HA       ASN  17  -6.258  -6.057  -0.276
  106    HB2  ASN  17           HB2      ASN  17  -3.581  -6.984   0.780
  107    HB3  ASN  17           HB1      ASN  17  -5.107  -7.758   1.164
  108   HD21  ASN  17          HD21      ASN  17  -2.882  -8.971  -0.081
  109   HD22  ASN  17          HD22      ASN  17  -3.377  -9.476  -1.660
  110    H    HIS  18           HN       HIS  18  -3.635  -4.637   1.620
  111    HA   HIS  18           HA       HIS  18  -4.792  -4.668   4.140
  112    HB2  HIS  18           HB2      HIS  18  -2.485  -4.063   3.902
  113    HB3  HIS  18           HB1      HIS  18  -2.883  -2.706   2.861
  114    HD1  HIS  18           HD1      HIS  18  -3.450  -3.768   6.480
  115    HD2  HIS  18           HD2      HIS  18  -2.990  -0.358   4.156
  116    HE1  HIS  18           HE1      HIS  18  -3.411  -1.846   8.102
  117    HE2  HIS  18           HE2      HIS  18  -3.303   0.219   6.658
  118    H    CYS  19           HN       CYS  19  -5.255  -2.403   1.500
  119    HA   CYS  19           HA       CYS  19  -6.880  -0.650   3.121
  120    HB2  CYS  19           HB2      CYS  19  -6.173  -0.620   0.191
  121    HB3  CYS  19           HB1      CYS  19  -7.139   0.616   0.989
  122    H    LYS  20           HN       LYS  20  -7.412  -3.410   1.162
  123    HA   LYS  20           HA       LYS  20 -10.152  -2.868   0.533
  124    HB2  LYS  20           HB2      LYS  20  -8.530  -5.400   0.582
  125    HB3  LYS  20           HB1      LYS  20 -10.248  -5.404   0.231
  126    HG2  LYS  20           HG2      LYS  20  -9.826  -3.890  -1.673
  127    HG3  LYS  20           HG1      LYS  20  -8.100  -4.006  -1.342
  128    HD2  LYS  20           HD2      LYS  20  -8.643  -5.552  -3.093
  129    HD3  LYS  20           HD1      LYS  20  -8.266  -6.469  -1.632
  130    HE2  LYS  20           HE2      LYS  20 -10.661  -6.704  -1.173
  131    HE3  LYS  20           HE1      LYS  20 -11.022  -5.794  -2.635
  132    HZ1  LYS  20           HZ1      LYS  20  -9.595  -8.395  -2.545
  133    HZ2  LYS  20           HZ2      LYS  20 -10.002  -7.537  -3.941
  134    HZ3  LYS  20           HZ3      LYS  20 -11.218  -8.187  -2.965
  135    H    SER  21           HN       SER  21  -8.421  -4.299   3.198
  136    HA   SER  21           HA       SER  21 -10.806  -5.187   4.542
  137    HB2  SER  21           HB2      SER  21  -9.011  -5.390   6.470
  138    HB3  SER  21           HB1      SER  21  -9.024  -6.529   5.123
  139    HG   SER  21           HG       SER  21  -7.380  -4.220   5.394
  140    H    ILE  22           HN       ILE  22  -9.837  -2.218   3.896
  141    HA   ILE  22           HA       ILE  22 -10.890  -1.153   6.429
  142    HB   ILE  22           HB       ILE  22  -9.197   0.365   4.439
  143   HG12  ILE  22          HG12      ILE  22  -8.345  -0.797   7.101
  144   HG13  ILE  22          HG11      ILE  22  -7.899  -1.457   5.529
  145   HG21  ILE  22          HG21      ILE  22 -10.713   1.718   5.790
  146   HG22  ILE  22          HG22      ILE  22  -9.031   2.012   6.232
  147   HG23  ILE  22          HG23      ILE  22 -10.049   1.004   7.259
  148   HD11  ILE  22          HD11      ILE  22  -6.105  -0.118   6.480
  149   HD12  ILE  22          HD12      ILE  22  -7.181   1.280   6.557
  150   HD13  ILE  22          HD13      ILE  22  -6.719   0.604   4.994
  151    H    LYS  23           HN       LYS  23 -12.977  -0.606   6.137
  152    HA   LYS  23           HA       LYS  23 -14.097  -0.467   3.549
  153    HB2  LYS  23           HB2      LYS  23 -15.429  -1.320   5.316
  154    HB3  LYS  23           HB1      LYS  23 -15.233   0.141   6.272
  155    HG2  LYS  23           HG2      LYS  23 -16.547   1.384   4.714
  156    HG3  LYS  23           HG1      LYS  23 -16.648   0.006   3.621
  157    HD2  LYS  23           HD2      LYS  23 -17.783   0.121   6.416
  158    HD3  LYS  23           HD1      LYS  23 -18.713   0.306   4.930
  159    HE2  LYS  23           HE2      LYS  23 -17.174  -2.150   5.771
  160    HE3  LYS  23           HE1      LYS  23 -18.921  -1.954   5.833
  161    HZ1  LYS  23           HZ1      LYS  23 -18.153  -3.205   3.876
  162    HZ2  LYS  23           HZ2      LYS  23 -17.306  -1.844   3.343
  163    HZ3  LYS  23           HZ3      LYS  23 -18.990  -1.798   3.453
  164    H    GLY  24           HN       GLY  24 -14.633   1.166   2.314
  165    HA2  GLY  24           HA2      GLY  24 -15.129   3.513   1.955
  166    HA3  GLY  24           HA1      GLY  24 -14.030   3.889   3.276
  167    H    TYR  25           HN       TYR  25 -12.353   1.587   1.932
  168    HA   TYR  25           HA       TYR  25 -11.189   3.279  -0.183
  169    HB2  TYR  25           HB2      TYR  25  -9.671   1.471   1.712
  170    HB3  TYR  25           HB1      TYR  25  -8.973   2.466   0.440
  171    HD1  TYR  25           HD1      TYR  25  -9.456   2.281   3.856
  172    HD2  TYR  25           HD2      TYR  25  -9.767   5.056   0.650
  173    HE1  TYR  25           HE1      TYR  25  -9.225   4.140   5.446
  174    HE2  TYR  25           HE2      TYR  25  -9.535   6.922   2.229
  175    HH   TYR  25           HH       TYR  25  -8.458   6.536   5.383
  176    H    LYS  26           HN       LYS  26  -9.740   1.918  -1.669
  177    HA   LYS  26           HA       LYS  26 -10.709  -0.808  -1.988
  178    HB2  LYS  26           HB2      LYS  26 -11.150  -0.469  -4.402
  179    HB3  LYS  26           HB1      LYS  26 -12.280   0.382  -3.364
  180    HG2  LYS  26           HG2      LYS  26  -9.922   1.679  -4.713
  181    HG3  LYS  26           HG1      LYS  26 -11.538   1.617  -5.403
  182    HD2  LYS  26           HD2      LYS  26 -12.395   2.816  -3.418
  183    HD3  LYS  26           HD1      LYS  26 -10.743   2.945  -2.813
  184    HE2  LYS  26           HE2      LYS  26 -10.120   4.191  -4.842
  185    HE3  LYS  26           HE1      LYS  26 -11.791   4.098  -5.395
  186    HZ1  LYS  26           HZ1      LYS  26 -10.836   5.468  -2.934
  187    HZ2  LYS  26           HZ2      LYS  26 -12.456   5.330  -3.406
  188    HZ3  LYS  26           HZ3      LYS  26 -11.374   6.213  -4.355
  189    H    GLY  27           HN       GLY  27  -8.180   0.375  -1.227
  190    HA2  GLY  27           HA2      GLY  27  -6.278  -1.197  -1.961
  191    HA3  GLY  27           HA1      GLY  27  -6.491  -0.389  -3.509
  192    H    GLY  28           HN       GLY  28  -4.051  -0.131  -2.681
  193    HA2  GLY  28           HA2      GLY  28  -3.844   2.634  -1.866
  194    HA3  GLY  28           HA1      GLY  28  -3.231   1.491  -0.683
  195    H    TYR  29           HN       TYR  29  -1.477   3.211  -1.474
  196    HA   TYR  29           HA       TYR  29   0.428   1.631  -2.980
  197    HB2  TYR  29           HB2      TYR  29   1.039   3.552  -4.446
  198    HB3  TYR  29           HB1      TYR  29  -0.564   2.914  -4.777
  199    HD1  TYR  29           HD1      TYR  29  -2.350   4.397  -4.953
  200    HD2  TYR  29           HD2      TYR  29   1.125   5.603  -2.821
  201    HE1  TYR  29           HE1      TYR  29  -3.303   6.643  -4.682
  202    HE2  TYR  29           HE2      TYR  29   0.180   7.855  -2.545
  203    HH   TYR  29           HH       TYR  29  -1.454   9.301  -3.497
  204    H    CYS  30           HN       CYS  30   2.632   2.740  -2.910
  205    HA   CYS  30           HA       CYS  30   3.058   3.630  -0.199
  206    HB2  CYS  30           HB2      CYS  30   5.051   3.179  -2.435
  207    HB3  CYS  30           HB1      CYS  30   5.455   3.517  -0.761
  208    H    ALA  31           HN       ALA  31   2.303   5.643   0.056
  209    HA   ALA  31           HA       ALA  31   2.973   7.779  -1.783
  210    HB1  ALA  31           HB1      ALA  31   1.593   7.916   0.897
  211    HB2  ALA  31           HB2      ALA  31   0.777   7.691  -0.648
  212    HB3  ALA  31           HB3      ALA  31   1.650   9.188  -0.323
  213    H    LYS  32           HN       LYS  32   3.579   9.931  -0.325
  214    HA   LYS  32           HA       LYS  32   5.376  11.049   0.524
  215    HB2  LYS  32           HB2      LYS  32   5.408   8.588   2.265
  216    HB3  LYS  32           HB1      LYS  32   6.398  10.004   2.578
  217    HG2  LYS  32           HG2      LYS  32   3.392  10.005   2.476
  218    HG3  LYS  32           HG1      LYS  32   4.355   9.909   3.951
  219    HD2  LYS  32           HD2      LYS  32   5.425  12.077   3.286
  220    HD3  LYS  32           HD1      LYS  32   4.251  12.183   1.975
  221    HE2  LYS  32           HE2      LYS  32   3.582  12.003   4.911
  222    HE3  LYS  32           HE1      LYS  32   3.573  13.482   3.952
  223    HZ1  LYS  32           HZ1      LYS  32   1.802  12.630   2.625
  224    HZ2  LYS  32           HZ2      LYS  32   1.360  12.457   4.249
  225    HZ3  LYS  32           HZ3      LYS  32   1.883  11.115   3.371
  226    H    GLY  33           HN       GLY  33   7.834   9.820   1.550
  227    HA2  GLY  33           HA2      GLY  33   9.412   9.537  -0.681
  228    HA3  GLY  33           HA1      GLY  33   9.794   8.829   0.879
  229    H    GLY  34           HN       GLY  34   7.309   7.156   0.740
  230    HA2  GLY  34           HA2      GLY  34   6.547   5.588  -1.083
  231    HA3  GLY  34           HA1      GLY  34   8.253   5.217  -1.274
  232    H    PHE  35           HN       PHE  35   7.105   5.762   1.940
  233    HA   PHE  35           HA       PHE  35   7.287   2.857   2.396
  234    HB2  PHE  35           HB2      PHE  35   8.089   5.150   4.201
  235    HB3  PHE  35           HB1      PHE  35   8.037   3.474   4.721
  236    HD1  PHE  35           HD1      PHE  35   9.701   5.839   2.430
  237    HD2  PHE  35           HD2      PHE  35   9.825   1.999   4.255
  238    HE1  PHE  35           HE1      PHE  35  12.007   5.535   1.630
  239    HE2  PHE  35           HE2      PHE  35  12.129   1.692   3.461
  240    HZ   PHE  35           HZ       PHE  35  13.241   3.463   2.196
  241    H    VAL  36           HN       VAL  36   4.961   4.925   2.011
  242    HA   VAL  36           HA       VAL  36   3.484   4.152   4.442
  243    HB   VAL  36           HB       VAL  36   3.090   6.633   2.756
  244   HG11  VAL  36          HG11      VAL  36   0.989   5.808   3.690
  245   HG12  VAL  36          HG12      VAL  36   1.486   7.310   4.471
  246   HG13  VAL  36          HG13      VAL  36   1.712   5.768   5.298
  247   HG21  VAL  36          HG21      VAL  36   5.122   6.724   4.114
  248   HG22  VAL  36          HG22      VAL  36   4.183   6.319   5.551
  249   HG23  VAL  36          HG23      VAL  36   3.902   7.846   4.716
  250    H    CYS  37           HN       CYS  37   2.023   2.641   4.029
  251    HA   CYS  37           HA       CYS  37   0.942   2.190   1.407
  252    HB2  CYS  37           HB2      CYS  37   1.338   0.340   3.001
  253    HB3  CYS  37           HB1      CYS  37   0.140   1.024   4.089
  254    H    LYS  38           HN       LYS  38  -0.068   4.129   0.873
  255    HA   LYS  38           HA       LYS  38  -2.204   5.085   2.634
  256    HB2  LYS  38           HB2      LYS  38  -0.297   6.487   1.448
  257    HB3  LYS  38           HB1      LYS  38  -1.454   6.525   0.141
  258    HG2  LYS  38           HG2      LYS  38  -2.136   7.366   2.943
  259    HG3  LYS  38           HG1      LYS  38  -1.459   8.476   1.755
  260    HD2  LYS  38           HD2      LYS  38  -3.988   6.894   1.325
  261    HD3  LYS  38           HD1      LYS  38  -3.953   8.538   1.964
  262    HE2  LYS  38           HE2      LYS  38  -2.801   9.273  -0.095
  263    HE3  LYS  38           HE1      LYS  38  -2.940   7.635  -0.730
  264    HZ1  LYS  38           HZ1      LYS  38  -4.700   9.006  -1.594
  265    HZ2  LYS  38           HZ2      LYS  38  -5.188   9.444  -0.038
  266    HZ3  LYS  38           HZ3      LYS  38  -5.364   7.844  -0.554
  267    H    CYS  39           HN       CYS  39  -4.212   4.898   2.158
  268    HA   CYS  39           HA       CYS  39  -4.957   3.222  -0.098
  269    HB2  CYS  39           HB2      CYS  39  -6.694   4.251   2.149
  270    HB3  CYS  39           HB1      CYS  39  -7.049   2.915   1.061
  271    H    TYR  40           HN       TYR  40  -6.890   3.759  -1.416
  272    HA   TYR  40           HA       TYR  40  -6.753   6.463  -2.354
  273    HB2  TYR  40           HB2      TYR  40  -8.934   4.512  -3.055
  274    HB3  TYR  40           HB1      TYR  40  -8.333   5.854  -4.011
  275    HD1  TYR  40           HD1      TYR  40  -5.596   5.547  -4.438
  276    HD2  TYR  40           HD2      TYR  40  -8.480   2.481  -3.883
  277    HE1  TYR  40           HE1      TYR  40  -4.173   3.983  -5.701
  278    HE2  TYR  40           HE2      TYR  40  -7.084   0.908  -5.132
  279    HH   TYR  40           HH       TYR  40  -5.303   0.969  -6.819
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   4.425   0.826   5.217
    2    H2   GLY   1           HT2      GLY   1   5.649  -0.005   4.397
    3    H3   GLY   1           HT3      GLY   1   5.922   0.576   5.963
    4    HA2  GLY   1           HA1      GLY   1   5.547  -1.804   6.001
    5    HA3  GLY   1           HA2      GLY   1   4.275  -0.944   6.854
    6    H    PHE   2           HN       PHE   2   3.315  -3.168   6.368
    7    HA   PHE   2           HA       PHE   2   1.764  -4.447   5.313
    8    HB2  PHE   2           HB2      PHE   2   0.965  -1.850   3.982
    9    HB3  PHE   2           HB1      PHE   2  -0.029  -3.293   4.133
   10    HD1  PHE   2           HD1      PHE   2  -0.004  -4.125   6.781
   11    HD2  PHE   2           HD2      PHE   2   0.283  -0.143   5.315
   12    HE1  PHE   2           HE1      PHE   2  -0.903  -3.280   8.910
   13    HE2  PHE   2           HE2      PHE   2  -0.610   0.710   7.443
   14    HZ   PHE   2           HZ       PHE   2  -1.203  -0.860   9.243
   15    H    GLY   3           HN       GLY   3   4.092  -4.881   4.164
   16    HA2  GLY   3           HA2      GLY   3   4.768  -6.009   2.235
   17    HA3  GLY   3           HA1      GLY   3   3.395  -5.322   1.379
   18    H    CYS   4           HN       CYS   4   3.883  -2.605   2.080
   19    HA   CYS   4           HA       CYS   4   5.931  -2.035   0.126
   20    HB2  CYS   4           HB2      CYS   4   3.773  -0.818   0.135
   21    HB3  CYS   4           HB1      CYS   4   4.187  -0.142   1.707
   22    H    ASN   5           HN       ASN   5   7.972  -2.172   0.846
   23    HA   ASN   5           HA       ASN   5   8.585  -0.907   3.431
   24    HB2  ASN   5           HB2      ASN   5  10.055  -3.042   1.880
   25    HB3  ASN   5           HB1      ASN   5  10.739  -2.226   3.282
   26   HD21  ASN   5          HD21      ASN   5   8.323  -4.454   2.157
   27   HD22  ASN   5          HD22      ASN   5   7.896  -5.088   3.707
   28    H    GLY   6           HN       GLY   6   8.358   0.087   0.482
   29    HA2  GLY   6           HA2      GLY   6   9.308   2.327   0.129
   30    HA3  GLY   6           HA1      GLY   6  10.862   1.645   0.582
   31    HA   PRO   7           HA       PRO   7   9.977   1.853  -4.097
   32    HB2  PRO   7           HB2      PRO   7  12.434   3.021  -4.642
   33    HB3  PRO   7           HB1      PRO   7  10.909   3.888  -4.473
   34    HG2  PRO   7           HG2      PRO   7  13.094   3.495  -2.482
   35    HG3  PRO   7           HG1      PRO   7  12.092   4.926  -2.782
   36    HD2  PRO   7           HD2      PRO   7  11.645   3.317  -0.689
   37    HD3  PRO   7           HD1      PRO   7  10.305   4.079  -1.569
   38    H    TRP   8           HN       TRP   8  12.729   0.907  -2.176
   39    HA   TRP   8           HA       TRP   8  13.989  -0.653  -4.217
   40    HB2  TRP   8           HB2      TRP   8  15.548  -1.312  -2.515
   41    HB3  TRP   8           HB1      TRP   8  15.182   0.390  -2.257
   42    HD1  TRP   8           HD1      TRP   8  13.066   0.727  -0.319
   43    HE1  TRP   8           HE1      TRP   8  12.882  -0.445   1.960
   44    HE3  TRP   8           HE3      TRP   8  16.161  -3.243  -1.210
   45    HZ2  TRP   8           HZ2      TRP   8  13.922  -2.749   3.215
   46    HZ3  TRP   8           HZ3      TRP   8  16.513  -4.886   0.587
   47    HH2  TRP   8           HH2      TRP   8  15.415  -4.641   2.752
   48    H    ASN   9           HN       ASN   9  11.421  -1.176  -1.998
   49    HA   ASN   9           HA       ASN   9  11.051  -3.895  -2.830
   50    HB2  ASN   9           HB2      ASN   9  12.796  -4.206  -1.117
   51    HB3  ASN   9           HB1      ASN   9  11.798  -3.354   0.057
   52   HD21  ASN   9          HD21      ASN   9  11.673  -5.088   1.450
   53   HD22  ASN   9          HD22      ASN   9  10.770  -6.516   1.095
   54    H    GLU  10           HN       GLU  10   9.192  -2.398  -3.425
   55    HA   GLU  10           HA       GLU  10   7.273  -2.288  -1.206
   56    HB2  GLU  10           HB2      GLU  10   5.994  -0.732  -2.823
   57    HB3  GLU  10           HB1      GLU  10   7.405  -0.104  -1.986
   58    HG2  GLU  10           HG2      GLU  10   8.705  -0.107  -3.886
   59    HG3  GLU  10           HG1      GLU  10   7.669  -1.270  -4.723
   60    H    ASP  11           HN       ASP  11   5.017  -2.720  -1.772
   61    HA   ASP  11           HA       ASP  11   4.644  -4.525  -4.035
   62    HB2  ASP  11           HB2      ASP  11   5.298  -5.915  -2.059
   63    HB3  ASP  11           HB1      ASP  11   3.899  -5.284  -1.199
   64    H    ASP  12           HN       ASP  12   3.044  -3.547  -5.079
   65    HA   ASP  12           HA       ASP  12   1.260  -1.712  -3.872
   66    HB2  ASP  12           HB2      ASP  12   1.250  -3.031  -6.588
   67    HB3  ASP  12           HB1      ASP  12   0.066  -1.826  -6.104
   68    H    LEU  13           HN       LEU  13   1.153  -5.119  -4.240
   69    HA   LEU  13           HA       LEU  13  -1.692  -5.349  -4.361
   70    HB2  LEU  13           HB2      LEU  13   0.448  -6.972  -4.936
   71    HB3  LEU  13           HB1      LEU  13  -0.178  -7.676  -3.467
   72    HG   LEU  13           HG       LEU  13  -1.195  -8.837  -5.273
   73   HD11  LEU  13          HD11      LEU  13  -2.707  -8.263  -3.433
   74   HD12  LEU  13          HD12      LEU  13  -3.546  -8.408  -4.976
   75   HD13  LEU  13          HD13      LEU  13  -3.199  -6.813  -4.308
   76   HD21  LEU  13          HD21      LEU  13  -2.406  -7.704  -7.068
   77   HD22  LEU  13          HD22      LEU  13  -0.707  -7.232  -7.033
   78   HD23  LEU  13          HD23      LEU  13  -1.939  -6.143  -6.397
   79    H    ARG  14           HN       ARG  14   0.804  -5.932  -1.874
   80    HA   ARG  14           HA       ARG  14  -0.973  -6.686   0.167
   81    HB2  ARG  14           HB2      ARG  14   1.849  -5.948   0.020
   82    HB3  ARG  14           HB1      ARG  14   1.090  -5.418   1.511
   83    HG2  ARG  14           HG2      ARG  14   1.485  -7.452   2.288
   84    HG3  ARG  14           HG1      ARG  14   0.181  -7.999   1.238
   85    HD2  ARG  14           HD2      ARG  14   3.093  -7.880   0.477
   86    HD3  ARG  14           HD1      ARG  14   2.241  -9.330   0.992
   87    HE   ARG  14           HE       ARG  14   1.795  -7.863  -1.528
   88   HH11  ARG  14          HH11      ARG  14   1.350 -10.729   0.452
   89   HH12  ARG  14          HH12      ARG  14   0.833 -11.716  -0.875
   90   HH21  ARG  14          HH21      ARG  14   1.110  -9.177  -3.270
   91   HH22  ARG  14          HH22      ARG  14   0.682 -10.834  -2.982
   92    H    CYS  15           HN       CYS  15   0.238  -3.459  -0.746
   93    HA   CYS  15           HA       CYS  15  -1.043  -1.992   1.234
   94    HB2  CYS  15           HB2      CYS  15  -0.537  -1.268  -1.660
   95    HB3  CYS  15           HB1      CYS  15  -0.969  -0.139  -0.399
   96    H    HIS  16           HN       HIS  16  -2.159  -2.834  -2.039
   97    HA   HIS  16           HA       HIS  16  -4.712  -1.762  -1.924
   98    HB2  HIS  16           HB2      HIS  16  -4.043  -2.473  -4.036
   99    HB3  HIS  16           HB1      HIS  16  -3.489  -4.029  -3.455
  100    HD1  HIS  16           HD1      HIS  16  -6.808  -2.213  -3.970
  101    HD2  HIS  16           HD2      HIS  16  -5.211  -6.053  -3.964
  102    HE1  HIS  16           HE1      HIS  16  -8.710  -3.746  -4.569
  103    HE2  HIS  16           HE2      HIS  16  -7.716  -6.056  -4.598
  104    H    ASN  17           HN       ASN  17  -3.737  -5.106  -1.168
  105    HA   ASN  17           HA       ASN  17  -6.259  -6.078  -0.526
  106    HB2  ASN  17           HB2      ASN  17  -3.502  -6.894   0.356
  107    HB3  ASN  17           HB1      ASN  17  -4.935  -7.746   0.908
  108   HD21  ASN  17          HD21      ASN  17  -2.772  -8.755  -0.686
  109   HD22  ASN  17          HD22      ASN  17  -3.455  -9.278  -2.187
  110    H    HIS  18           HN       HIS  18  -3.791  -4.712   1.636
  111    HA   HIS  18           HA       HIS  18  -5.230  -4.933   4.021
  112    HB2  HIS  18           HB2      HIS  18  -2.902  -4.380   4.112
  113    HB3  HIS  18           HB1      HIS  18  -3.137  -2.943   3.131
  114    HD1  HIS  18           HD1      HIS  18  -4.183  -4.240   6.563
  115    HD2  HIS  18           HD2      HIS  18  -3.365  -0.689   4.571
  116    HE1  HIS  18           HE1      HIS  18  -4.318  -2.439   8.312
  117    HE2  HIS  18           HE2      HIS  18  -3.915  -0.282   7.062
  118    H    CYS  19           HN       CYS  19  -5.129  -2.284   1.664
  119    HA   CYS  19           HA       CYS  19  -6.698  -0.504   3.171
  120    HB2  CYS  19           HB2      CYS  19  -6.142  -0.621   0.209
  121    HB3  CYS  19           HB1      CYS  19  -6.952   0.723   1.009
  122    H    LYS  20           HN       LYS  20  -7.642  -2.732   0.522
  123    HA   LYS  20           HA       LYS  20 -10.360  -1.803   0.739
  124    HB2  LYS  20           HB2      LYS  20 -10.883  -3.485  -1.003
  125    HB3  LYS  20           HB1      LYS  20  -9.631  -2.349  -1.459
  126    HG2  LYS  20           HG2      LYS  20  -8.868  -4.368  -2.276
  127    HG3  LYS  20           HG1      LYS  20  -7.982  -4.176  -0.772
  128    HD2  LYS  20           HD2      LYS  20  -8.792  -6.455  -1.082
  129    HD3  LYS  20           HD1      LYS  20  -9.501  -5.702   0.350
  130    HE2  LYS  20           HE2      LYS  20 -11.553  -5.272  -0.866
  131    HE3  LYS  20           HE1      LYS  20 -10.832  -5.897  -2.345
  132    HZ1  LYS  20           HZ1      LYS  20 -11.341  -7.470   0.123
  133    HZ2  LYS  20           HZ2      LYS  20 -10.679  -8.073  -1.312
  134    HZ3  LYS  20           HZ3      LYS  20 -12.277  -7.524  -1.282
  135    H    SER  21           HN       SER  21  -8.586  -3.889   2.583
  136    HA   SER  21           HA       SER  21 -10.802  -5.599   3.322
  137    HB2  SER  21           HB2      SER  21  -8.133  -5.107   4.678
  138    HB3  SER  21           HB1      SER  21  -9.317  -6.307   5.196
  139    HG   SER  21           HG       SER  21  -7.799  -6.227   2.806
  140    H    ILE  22           HN       ILE  22  -9.769  -2.454   3.899
  141    HA   ILE  22           HA       ILE  22 -11.288  -2.171   6.383
  142    HB   ILE  22           HB       ILE  22  -9.683  -0.066   4.919
  143   HG12  ILE  22          HG12      ILE  22  -8.782  -1.779   7.242
  144   HG13  ILE  22          HG11      ILE  22  -8.255  -1.995   5.578
  145   HG21  ILE  22          HG21      ILE  22 -11.330   0.804   6.484
  146   HG22  ILE  22          HG22      ILE  22  -9.696   1.077   7.089
  147   HG23  ILE  22          HG23      ILE  22 -10.678  -0.224   7.760
  148   HD11  ILE  22          HD11      ILE  22  -7.252   0.231   5.613
  149   HD12  ILE  22          HD12      ILE  22  -6.591  -0.808   6.876
  150   HD13  ILE  22          HD13      ILE  22  -7.772   0.435   7.286
  151    H    LYS  23           HN       LYS  23 -13.223  -1.114   6.392
  152    HA   LYS  23           HA       LYS  23 -14.545  -0.701   3.912
  153    HB2  LYS  23           HB2      LYS  23 -15.853  -1.494   5.701
  154    HB3  LYS  23           HB1      LYS  23 -15.324  -0.212   6.776
  155    HG2  LYS  23           HG2      LYS  23 -16.513   1.397   5.312
  156    HG3  LYS  23           HG1      LYS  23 -17.151   0.029   4.400
  157    HD2  LYS  23           HD2      LYS  23 -17.585   0.581   7.336
  158    HD3  LYS  23           HD1      LYS  23 -18.772   0.798   6.051
  159    HE2  LYS  23           HE2      LYS  23 -18.776  -1.577   5.604
  160    HE3  LYS  23           HE1      LYS  23 -17.494  -1.833   6.785
  161    HZ1  LYS  23           HZ1      LYS  23 -20.250  -0.891   7.356
  162    HZ2  LYS  23           HZ2      LYS  23 -19.017  -1.014   8.505
  163    HZ3  LYS  23           HZ3      LYS  23 -19.600  -2.403   7.743
  164    H    GLY  24           HN       GLY  24 -14.959   1.095   2.832
  165    HA2  GLY  24           HA2      GLY  24 -15.210   3.457   2.593
  166    HA3  GLY  24           HA1      GLY  24 -14.167   3.678   3.989
  167    H    TYR  25           HN       TYR  25 -12.815   1.327   2.082
  168    HA   TYR  25           HA       TYR  25 -11.346   3.234   0.399
  169    HB2  TYR  25           HB2      TYR  25 -10.082   1.047   2.066
  170    HB3  TYR  25           HB1      TYR  25  -9.236   2.044   0.889
  171    HD1  TYR  25           HD1      TYR  25 -10.101   1.689   4.300
  172    HD2  TYR  25           HD2      TYR  25  -9.328   4.612   1.312
  173    HE1  TYR  25           HE1      TYR  25  -9.650   3.356   6.052
  174    HE2  TYR  25           HE2      TYR  25  -8.872   6.283   3.051
  175    HH   TYR  25           HH       TYR  25  -8.315   5.522   6.235
  176    H    LYS  26           HN       LYS  26 -10.269   2.231  -1.438
  177    HA   LYS  26           HA       LYS  26 -11.319  -0.444  -2.080
  178    HB2  LYS  26           HB2      LYS  26 -11.495   0.296  -4.478
  179    HB3  LYS  26           HB1      LYS  26 -12.676   0.998  -3.387
  180    HG2  LYS  26           HG2      LYS  26 -10.179   2.511  -3.923
  181    HG3  LYS  26           HG1      LYS  26 -11.404   2.433  -5.189
  182    HD2  LYS  26           HD2      LYS  26 -12.161   3.190  -2.391
  183    HD3  LYS  26           HD1      LYS  26 -11.446   4.385  -3.471
  184    HE2  LYS  26           HE2      LYS  26 -13.814   4.595  -3.630
  185    HE3  LYS  26           HE1      LYS  26 -13.245   3.856  -5.122
  186    HZ1  LYS  26           HZ1      LYS  26 -13.972   1.720  -4.335
  187    HZ2  LYS  26           HZ2      LYS  26 -15.260   2.808  -4.239
  188    HZ3  LYS  26           HZ3      LYS  26 -14.423   2.369  -2.840
  189    H    GLY  27           HN       GLY  27  -8.660   1.814  -2.263
  190    HA2  GLY  27           HA2      GLY  27  -6.969  -0.409  -3.155
  191    HA3  GLY  27           HA1      GLY  27  -6.979   1.042  -4.144
  192    H    GLY  28           HN       GLY  28  -4.609   0.347  -3.296
  193    HA2  GLY  28           HA2      GLY  28  -3.932   2.508  -1.485
  194    HA3  GLY  28           HA1      GLY  28  -3.540   0.897  -0.901
  195    H    TYR  29           HN       TYR  29  -1.854   3.237  -1.714
  196    HA   TYR  29           HA       TYR  29   0.015   1.699  -3.341
  197    HB2  TYR  29           HB2      TYR  29   0.494   3.754  -4.741
  198    HB3  TYR  29           HB1      TYR  29  -1.034   2.954  -5.071
  199    HD1  TYR  29           HD1      TYR  29  -2.941   4.243  -5.238
  200    HD2  TYR  29           HD2      TYR  29   0.353   5.761  -3.017
  201    HE1  TYR  29           HE1      TYR  29  -4.126   6.377  -4.950
  202    HE2  TYR  29           HE2      TYR  29  -0.826   7.898  -2.719
  203    HH   TYR  29           HH       TYR  29  -4.165   8.298  -3.597
  204    H    CYS  30           HN       CYS  30   2.213   2.631  -3.295
  205    HA   CYS  30           HA       CYS  30   2.830   3.439  -0.621
  206    HB2  CYS  30           HB2      CYS  30   4.652   3.135  -3.015
  207    HB3  CYS  30           HB1      CYS  30   5.175   3.343  -1.351
  208    H    ALA  31           HN       ALA  31   2.416   5.430  -0.032
  209    HA   ALA  31           HA       ALA  31   3.462   7.632  -1.690
  210    HB1  ALA  31           HB1      ALA  31   1.054   7.696   0.132
  211    HB2  ALA  31           HB2      ALA  31   1.007   7.640  -1.631
  212    HB3  ALA  31           HB3      ALA  31   1.681   9.049  -0.811
  213    H    LYS  32           HN       LYS  32   3.363   9.680   0.074
  214    HA   LYS  32           HA       LYS  32   4.617  10.684   1.680
  215    HB2  LYS  32           HB2      LYS  32   3.687   8.217   3.133
  216    HB3  LYS  32           HB1      LYS  32   4.564   9.510   3.934
  217    HG2  LYS  32           HG2      LYS  32   1.889   9.746   2.566
  218    HG3  LYS  32           HG1      LYS  32   2.179   9.707   4.304
  219    HD2  LYS  32           HD2      LYS  32   3.087  11.840   2.380
  220    HD3  LYS  32           HD1      LYS  32   1.812  11.983   3.588
  221    HE2  LYS  32           HE2      LYS  32   4.748  11.548   4.124
  222    HE3  LYS  32           HE1      LYS  32   3.850  13.041   4.366
  223    HZ1  LYS  32           HZ1      LYS  32   3.263  10.508   5.790
  224    HZ2  LYS  32           HZ2      LYS  32   2.584  12.024   6.091
  225    HZ3  LYS  32           HZ3      LYS  32   4.217  11.752   6.419
  226    H    GLY  33           HN       GLY  33   6.395  10.023   0.081
  227    HA2  GLY  33           HA2      GLY  33   8.717   9.645   0.126
  228    HA3  GLY  33           HA1      GLY  33   8.512   8.696   1.593
  229    H    GLY  34           HN       GLY  34   6.149   7.433   0.049
  230    HA2  GLY  34           HA2      GLY  34   5.842   5.718  -1.502
  231    HA3  GLY  34           HA1      GLY  34   7.559   5.779  -1.873
  232    H    PHE  35           HN       PHE  35   6.456   5.620   1.406
  233    HA   PHE  35           HA       PHE  35   7.313   2.803   1.532
  234    HB2  PHE  35           HB2      PHE  35   7.640   4.977   3.621
  235    HB3  PHE  35           HB1      PHE  35   8.018   3.280   3.885
  236    HD1  PHE  35           HD1      PHE  35   8.961   6.285   1.962
  237    HD2  PHE  35           HD2      PHE  35  10.081   2.370   3.187
  238    HE1  PHE  35           HE1      PHE  35  11.237   6.674   1.114
  239    HE2  PHE  35           HE2      PHE  35  12.359   2.754   2.345
  240    HZ   PHE  35           HZ       PHE  35  12.948   4.899   1.327
  241    H    VAL  36           HN       VAL  36   4.821   5.040   2.089
  242    HA   VAL  36           HA       VAL  36   3.506   3.320   4.072
  243    HB   VAL  36           HB       VAL  36   2.798   6.142   3.245
  244   HG11  VAL  36          HG11      VAL  36   0.887   4.892   4.097
  245   HG12  VAL  36          HG12      VAL  36   1.380   6.145   5.237
  246   HG13  VAL  36          HG13      VAL  36   1.802   4.459   5.541
  247   HG21  VAL  36          HG21      VAL  36   4.965   6.073   4.363
  248   HG22  VAL  36          HG22      VAL  36   4.254   5.175   5.704
  249   HG23  VAL  36          HG23      VAL  36   3.749   6.834   5.390
  250    H    CYS  37           HN       CYS  37   1.931   1.994   3.376
  251    HA   CYS  37           HA       CYS  37   0.770   2.175   0.793
  252    HB2  CYS  37           HB2      CYS  37  -0.056   0.627   3.255
  253    HB3  CYS  37           HB1      CYS  37  -0.765   0.423   1.672
  254    H    LYS  38           HN       LYS  38  -0.114   4.263   0.632
  255    HA   LYS  38           HA       LYS  38  -2.089   5.106   2.578
  256    HB2  LYS  38           HB2      LYS  38  -0.421   6.607   1.329
  257    HB3  LYS  38           HB1      LYS  38  -1.513   6.489  -0.031
  258    HG2  LYS  38           HG2      LYS  38  -2.443   7.409   2.668
  259    HG3  LYS  38           HG1      LYS  38  -1.701   8.517   1.519
  260    HD2  LYS  38           HD2      LYS  38  -4.124   6.825   0.926
  261    HD3  LYS  38           HD1      LYS  38  -4.192   8.503   1.468
  262    HE2  LYS  38           HE2      LYS  38  -2.850   7.521  -1.050
  263    HE3  LYS  38           HE1      LYS  38  -4.421   8.309  -0.967
  264    HZ1  LYS  38           HZ1      LYS  38  -1.857   9.542  -0.123
  265    HZ2  LYS  38           HZ2      LYS  38  -3.371  10.295  -0.134
  266    HZ3  LYS  38           HZ3      LYS  38  -2.641   9.842  -1.591
  267    H    CYS  39           HN       CYS  39  -4.195   5.040   2.341
  268    HA   CYS  39           HA       CYS  39  -5.150   3.279   0.204
  269    HB2  CYS  39           HB2      CYS  39  -6.446   3.950   2.850
  270    HB3  CYS  39           HB1      CYS  39  -6.965   2.709   1.716
  271    H    TYR  40           HN       TYR  40  -6.845   3.791  -1.101
  272    HA   TYR  40           HA       TYR  40  -8.139   6.385  -0.636
  273    HB2  TYR  40           HB2      TYR  40  -8.353   6.701  -3.062
  274    HB3  TYR  40           HB1      TYR  40  -6.669   6.601  -2.576
  275    HD1  TYR  40           HD1      TYR  40  -5.256   4.845  -3.390
  276    HD2  TYR  40           HD2      TYR  40  -9.411   4.850  -4.311
  277    HE1  TYR  40           HE1      TYR  40  -4.874   3.140  -5.117
  278    HE2  TYR  40           HE2      TYR  40  -9.036   3.150  -6.034
  279    HH   TYR  40           HH       TYR  40  -7.241   2.315  -7.435
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   5.979  -2.976   7.498
    2    H2   GLY   1           HT2      GLY   1   6.752  -1.503   7.201
    3    H3   GLY   1           HT3      GLY   1   6.887  -2.764   6.085
    4    HA2  GLY   1           HA1      GLY   1   4.408  -1.287   6.771
    5    HA3  GLY   1           HA2      GLY   1   5.335  -1.109   5.288
    6    H    PHE   2           HN       PHE   2   2.717  -1.698   5.068
    7    HA   PHE   2           HA       PHE   2   2.279  -4.527   4.887
    8    HB2  PHE   2           HB2      PHE   2   0.548  -2.244   3.913
    9    HB3  PHE   2           HB1      PHE   2   0.055  -3.927   4.049
   10    HD1  PHE   2           HD1      PHE   2   0.182  -4.974   6.411
   11    HD2  PHE   2           HD2      PHE   2   0.160  -0.784   5.667
   12    HE1  PHE   2           HE1      PHE   2  -0.577  -4.572   8.714
   13    HE2  PHE   2           HE2      PHE   2  -0.598  -0.377   7.971
   14    HZ   PHE   2           HZ       PHE   2  -0.964  -2.257   9.498
   15    H    GLY   3           HN       GLY   3   4.264  -4.576   3.447
   16    HA2  GLY   3           HA2      GLY   3   4.712  -5.461   1.271
   17    HA3  GLY   3           HA1      GLY   3   3.366  -4.516   0.647
   18    H    CYS   4           HN       CYS   4   4.056  -2.104   1.950
   19    HA   CYS   4           HA       CYS   4   6.066  -1.090   0.165
   20    HB2  CYS   4           HB2      CYS   4   4.689   0.335   2.445
   21    HB3  CYS   4           HB1      CYS   4   5.445   1.063   1.029
   22    H    ASN   5           HN       ASN   5   8.091  -1.804   0.696
   23    HA   ASN   5           HA       ASN   5   9.108  -1.015   3.328
   24    HB2  ASN   5           HB2      ASN   5   9.270  -3.793   2.158
   25    HB3  ASN   5           HB1      ASN   5  10.334  -3.241   3.444
   26   HD21  ASN   5          HD21      ASN   5   7.164  -4.277   2.599
   27   HD22  ASN   5          HD22      ASN   5   6.530  -4.362   4.207
   28    H    GLY   6           HN       GLY   6   9.554   0.278   0.886
   29    HA2  GLY   6           HA2      GLY   6  12.210   0.798   0.884
   30    HA3  GLY   6           HA1      GLY   6  12.088  -0.616  -0.151
   31    HA   PRO   7           HA       PRO   7  11.068   3.171  -2.739
   32    HB2  PRO   7           HB2      PRO   7  13.458   3.721  -3.825
   33    HB3  PRO   7           HB1      PRO   7  12.984   4.420  -2.269
   34    HG2  PRO   7           HG2      PRO   7  14.708   2.023  -2.814
   35    HG3  PRO   7           HG1      PRO   7  15.000   3.369  -1.705
   36    HD2  PRO   7           HD2      PRO   7  14.010   0.991  -0.872
   37    HD3  PRO   7           HD1      PRO   7  13.577   2.529  -0.100
   38    H    TRP   8           HN       TRP   8  13.189   0.432  -2.970
   39    HA   TRP   8           HA       TRP   8  12.310  -0.131  -5.714
   40    HB2  TRP   8           HB2      TRP   8  14.170  -1.672  -5.842
   41    HB3  TRP   8           HB1      TRP   8  14.766  -0.143  -5.199
   42    HD1  TRP   8           HD1      TRP   8  15.092  -0.112  -2.414
   43    HE1  TRP   8           HE1      TRP   8  15.904  -2.000  -0.869
   44    HE3  TRP   8           HE3      TRP   8  14.263  -4.089  -5.507
   45    HZ2  TRP   8           HZ2      TRP   8  16.162  -4.808  -0.957
   46    HZ3  TRP   8           HZ3      TRP   8  14.822  -6.345  -4.701
   47    HH2  TRP   8           HH2      TRP   8  15.752  -6.695  -2.472
   48    H    ASN   9           HN       ASN   9  11.687  -0.924  -2.505
   49    HA   ASN   9           HA       ASN   9  10.729  -3.625  -3.178
   50    HB2  ASN   9           HB2      ASN   9  12.478  -3.328  -1.331
   51    HB3  ASN   9           HB1      ASN   9  11.214  -2.544  -0.398
   52   HD21  ASN   9          HD21      ASN   9  11.282  -4.109   1.192
   53   HD22  ASN   9          HD22      ASN   9  10.636  -5.698   0.956
   54    H    GLU  10           HN       GLU  10   9.072  -1.882  -4.104
   55    HA   GLU  10           HA       GLU  10   7.041  -1.260  -2.091
   56    HB2  GLU  10           HB2      GLU  10   7.197  -0.471  -5.004
   57    HB3  GLU  10           HB1      GLU  10   6.030   0.121  -3.830
   58    HG2  GLU  10           HG2      GLU  10   7.724   1.279  -2.629
   59    HG3  GLU  10           HG1      GLU  10   9.004   0.544  -3.595
   60    H    ASP  11           HN       ASP  11   5.509  -2.765  -1.787
   61    HA   ASP  11           HA       ASP  11   4.468  -4.128  -4.180
   62    HB2  ASP  11           HB2      ASP  11   5.474  -5.704  -2.549
   63    HB3  ASP  11           HB1      ASP  11   4.337  -5.134  -1.329
   64    H    ASP  12           HN       ASP  12   2.779  -2.979  -4.797
   65    HA   ASP  12           HA       ASP  12   1.189  -1.489  -2.921
   66    HB2  ASP  12           HB2      ASP  12   0.816  -1.897  -5.897
   67    HB3  ASP  12           HB1      ASP  12  -0.070  -0.745  -4.908
   68    H    LEU  13           HN       LEU  13   1.132  -4.651  -4.084
   69    HA   LEU  13           HA       LEU  13  -1.684  -5.020  -4.286
   70    HB2  LEU  13           HB2      LEU  13   0.452  -6.460  -5.069
   71    HB3  LEU  13           HB1      LEU  13   0.051  -7.313  -3.598
   72    HG   LEU  13           HG       LEU  13  -1.053  -8.488  -5.316
   73   HD11  LEU  13          HD11      LEU  13  -3.392  -8.258  -4.847
   74   HD12  LEU  13          HD12      LEU  13  -3.143  -6.636  -4.206
   75   HD13  LEU  13          HD13      LEU  13  -2.472  -8.028  -3.362
   76   HD21  LEU  13          HD21      LEU  13  -0.797  -6.799  -7.065
   77   HD22  LEU  13          HD22      LEU  13  -2.095  -5.851  -6.339
   78   HD23  LEU  13          HD23      LEU  13  -2.438  -7.440  -7.018
   79    H    ARG  14           HN       ARG  14   0.725  -5.982  -1.835
   80    HA   ARG  14           HA       ARG  14  -1.075  -6.916   0.083
   81    HB2  ARG  14           HB2      ARG  14   1.736  -6.122  -0.026
   82    HB3  ARG  14           HB1      ARG  14   1.003  -5.862   1.548
   83    HG2  ARG  14           HG2      ARG  14   2.150  -8.072   1.149
   84    HG3  ARG  14           HG1      ARG  14   0.529  -8.133   1.834
   85    HD2  ARG  14           HD2      ARG  14   0.734  -9.835   0.160
   86    HD3  ARG  14           HD1      ARG  14  -0.344  -8.588  -0.450
   87    HE   ARG  14           HE       ARG  14   1.890  -7.779  -1.568
   88   HH11  ARG  14          HH11      ARG  14   0.695 -11.051  -1.185
   89   HH12  ARG  14          HH12      ARG  14   1.503 -11.651  -2.596
   90   HH21  ARG  14          HH21      ARG  14   2.944  -8.555  -3.440
   91   HH22  ARG  14          HH22      ARG  14   2.773 -10.228  -3.892
   92    H    CYS  15           HN       CYS  15   0.132  -3.645  -0.502
   93    HA   CYS  15           HA       CYS  15  -1.167  -2.442   1.701
   94    HB2  CYS  15           HB2      CYS  15   0.641  -1.352   0.379
   95    HB3  CYS  15           HB1      CYS  15  -0.486  -1.175  -0.964
   96    H    HIS  16           HN       HIS  16  -2.110  -2.881  -1.690
   97    HA   HIS  16           HA       HIS  16  -4.654  -1.793  -1.641
   98    HB2  HIS  16           HB2      HIS  16  -3.799  -2.492  -3.735
   99    HB3  HIS  16           HB1      HIS  16  -3.479  -4.119  -3.157
  100    HD1  HIS  16           HD1      HIS  16  -6.490  -1.901  -3.872
  101    HD2  HIS  16           HD2      HIS  16  -5.381  -5.903  -3.869
  102    HE1  HIS  16           HE1      HIS  16  -8.515  -3.161  -4.652
  103    HE2  HIS  16           HE2      HIS  16  -7.759  -5.554  -4.827
  104    H    ASN  17           HN       ASN  17  -3.637  -5.077  -0.804
  105    HA   ASN  17           HA       ASN  17  -6.181  -6.085  -0.209
  106    HB2  ASN  17           HB2      ASN  17  -3.447  -6.920   0.756
  107    HB3  ASN  17           HB1      ASN  17  -4.914  -7.834   1.067
  108   HD21  ASN  17          HD21      ASN  17  -2.530  -8.592  -0.423
  109   HD22  ASN  17          HD22      ASN  17  -3.062  -8.991  -2.023
  110    H    HIS  18           HN       HIS  18  -3.748  -4.543   1.829
  111    HA   HIS  18           HA       HIS  18  -5.079  -4.798   4.285
  112    HB2  HIS  18           HB2      HIS  18  -2.798  -4.124   4.328
  113    HB3  HIS  18           HB1      HIS  18  -3.095  -2.778   3.241
  114    HD1  HIS  18           HD1      HIS  18  -3.969  -3.830   6.804
  115    HD2  HIS  18           HD2      HIS  18  -3.465  -0.425   4.481
  116    HE1  HIS  18           HE1      HIS  18  -4.180  -1.890   8.392
  117    HE2  HIS  18           HE2      HIS  18  -3.735   0.156   6.985
  118    H    CYS  19           HN       CYS  19  -5.200  -2.185   1.869
  119    HA   CYS  19           HA       CYS  19  -6.975  -0.624   3.485
  120    HB2  CYS  19           HB2      CYS  19  -6.082  -0.290   0.625
  121    HB3  CYS  19           HB1      CYS  19  -7.059   0.879   1.506
  122    H    LYS  20           HN       LYS  20  -7.441  -2.930   0.858
  123    HA   LYS  20           HA       LYS  20 -10.156  -2.146   0.367
  124    HB2  LYS  20           HB2      LYS  20 -10.346  -4.076  -1.024
  125    HB3  LYS  20           HB1      LYS  20  -8.731  -3.429  -1.275
  126    HG2  LYS  20           HG2      LYS  20  -7.770  -5.133   0.097
  127    HG3  LYS  20           HG1      LYS  20  -9.363  -5.722   0.567
  128    HD2  LYS  20           HD2      LYS  20  -9.797  -6.266  -1.820
  129    HD3  LYS  20           HD1      LYS  20  -8.133  -5.811  -2.187
  130    HE2  LYS  20           HE2      LYS  20  -7.313  -7.554  -0.700
  131    HE3  LYS  20           HE1      LYS  20  -8.963  -7.979  -0.262
  132    HZ1  LYS  20           HZ1      LYS  20  -7.764  -8.217  -2.965
  133    HZ2  LYS  20           HZ2      LYS  20  -9.362  -8.598  -2.570
  134    HZ3  LYS  20           HZ3      LYS  20  -8.091  -9.494  -1.908
  135    H    SER  21           HN       SER  21  -8.590  -3.908   2.801
  136    HA   SER  21           HA       SER  21 -10.809  -5.472   3.684
  137    HB2  SER  21           HB2      SER  21  -8.497  -6.042   4.293
  138    HB3  SER  21           HB1      SER  21  -8.339  -4.517   5.159
  139    HG   SER  21           HG       SER  21 -10.277  -6.489   5.799
  140    H    ILE  22           HN       ILE  22  -9.751  -2.209   4.044
  141    HA   ILE  22           HA       ILE  22 -11.628  -1.640   6.193
  142    HB   ILE  22           HB       ILE  22  -9.829   0.272   4.689
  143   HG12  ILE  22          HG12      ILE  22  -9.370  -1.070   7.366
  144   HG13  ILE  22          HG11      ILE  22  -8.557  -1.509   5.868
  145   HG21  ILE  22          HG21      ILE  22 -11.707   1.356   5.794
  146   HG22  ILE  22          HG22      ILE  22 -10.195   1.744   6.615
  147   HG23  ILE  22          HG23      ILE  22 -11.297   0.555   7.311
  148   HD11  ILE  22          HD11      ILE  22  -7.140  -0.131   7.277
  149   HD12  ILE  22          HD12      ILE  22  -8.356   1.147   7.270
  150   HD13  ILE  22          HD13      ILE  22  -7.535   0.703   5.774
  151    H    LYS  23           HN       LYS  23 -13.670  -1.167   5.738
  152    HA   LYS  23           HA       LYS  23 -14.568  -0.948   3.059
  153    HB2  LYS  23           HB2      LYS  23 -15.751  -1.812   5.259
  154    HB3  LYS  23           HB1      LYS  23 -16.301  -0.145   5.344
  155    HG2  LYS  23           HG2      LYS  23 -17.340  -0.332   3.173
  156    HG3  LYS  23           HG1      LYS  23 -16.716  -1.970   2.991
  157    HD2  LYS  23           HD2      LYS  23 -18.670  -1.048   5.100
  158    HD3  LYS  23           HD1      LYS  23 -19.073  -1.976   3.657
  159    HE2  LYS  23           HE2      LYS  23 -17.267  -2.884   5.898
  160    HE3  LYS  23           HE1      LYS  23 -18.926  -3.407   5.634
  161    HZ1  LYS  23           HZ1      LYS  23 -16.649  -3.874   3.788
  162    HZ2  LYS  23           HZ2      LYS  23 -18.244  -4.359   3.517
  163    HZ3  LYS  23           HZ3      LYS  23 -17.362  -5.027   4.794
  164    H    GLY  24           HN       GLY  24 -14.907   0.770   1.833
  165    HA2  GLY  24           HA2      GLY  24 -15.706   3.093   1.676
  166    HA3  GLY  24           HA1      GLY  24 -14.718   3.437   3.087
  167    H    TYR  25           HN       TYR  25 -12.684   1.512   1.777
  168    HA   TYR  25           HA       TYR  25 -11.533   3.524  -0.043
  169    HB2  TYR  25           HB2      TYR  25 -10.113   1.465   1.666
  170    HB3  TYR  25           HB1      TYR  25  -9.326   2.600   0.575
  171    HD1  TYR  25           HD1      TYR  25 -10.557   2.067   3.884
  172    HD2  TYR  25           HD2      TYR  25  -9.630   5.098   1.051
  173    HE1  TYR  25           HE1      TYR  25 -10.431   3.719   5.701
  174    HE2  TYR  25           HE2      TYR  25  -9.499   6.755   2.859
  175    HH   TYR  25           HH       TYR  25 -10.411   7.043   5.169
  176    H    LYS  26           HN       LYS  26 -10.725   2.879  -2.005
  177    HA   LYS  26           HA       LYS  26 -11.837   0.440  -3.063
  178    HB2  LYS  26           HB2      LYS  26 -10.144   2.544  -4.354
  179    HB3  LYS  26           HB1      LYS  26 -10.925   1.210  -5.195
  180    HG2  LYS  26           HG2      LYS  26 -13.091   2.054  -4.654
  181    HG3  LYS  26           HG1      LYS  26 -12.387   3.290  -3.606
  182    HD2  LYS  26           HD2      LYS  26 -11.189   4.158  -5.554
  183    HD3  LYS  26           HD1      LYS  26 -12.091   3.050  -6.579
  184    HE2  LYS  26           HE2      LYS  26 -14.190   4.084  -5.809
  185    HE3  LYS  26           HE1      LYS  26 -13.257   5.221  -4.839
  186    HZ1  LYS  26           HZ1      LYS  26 -13.944   6.188  -6.945
  187    HZ2  LYS  26           HZ2      LYS  26 -13.126   4.977  -7.795
  188    HZ3  LYS  26           HZ3      LYS  26 -12.257   6.084  -6.855
  189    H    GLY  27           HN       GLY  27  -8.834   1.540  -1.856
  190    HA2  GLY  27           HA2      GLY  27  -7.612  -0.896  -1.602
  191    HA3  GLY  27           HA1      GLY  27  -7.166  -0.340  -3.210
  192    H    GLY  28           HN       GLY  28  -4.972  -0.299  -2.447
  193    HA2  GLY  28           HA2      GLY  28  -4.283   2.221  -1.201
  194    HA3  GLY  28           HA1      GLY  28  -3.849   0.787  -0.278
  195    H    TYR  29           HN       TYR  29  -1.942   2.597  -1.188
  196    HA   TYR  29           HA       TYR  29  -0.323   0.868  -2.840
  197    HB2  TYR  29           HB2      TYR  29   0.078   2.421  -4.625
  198    HB3  TYR  29           HB1      TYR  29  -1.662   2.225  -4.480
  199    HD1  TYR  29           HD1      TYR  29  -2.547   4.024  -2.501
  200    HD2  TYR  29           HD2      TYR  29   0.636   4.570  -5.270
  201    HE1  TYR  29           HE1      TYR  29  -2.816   6.459  -2.321
  202    HE2  TYR  29           HE2      TYR  29   0.371   7.006  -5.104
  203    HH   TYR  29           HH       TYR  29  -1.451   8.486  -2.659
  204    H    CYS  30           HN       CYS  30   1.903   1.582  -2.942
  205    HA   CYS  30           HA       CYS  30   2.704   2.789  -0.462
  206    HB2  CYS  30           HB2      CYS  30   4.461   2.008  -2.795
  207    HB3  CYS  30           HB1      CYS  30   4.950   2.242  -1.124
  208    H    ALA  31           HN       ALA  31   2.370   4.890  -0.288
  209    HA   ALA  31           HA       ALA  31   3.328   6.636  -2.458
  210    HB1  ALA  31           HB1      ALA  31   1.691   8.287  -1.698
  211    HB2  ALA  31           HB2      ALA  31   1.148   7.175  -0.440
  212    HB3  ALA  31           HB3      ALA  31   0.905   6.771  -2.139
  213    H    LYS  32           HN       LYS  32   3.537   8.994  -1.311
  214    HA   LYS  32           HA       LYS  32   4.800  10.338   0.014
  215    HB2  LYS  32           HB2      LYS  32   3.113   9.263   1.656
  216    HB3  LYS  32           HB1      LYS  32   4.474   8.303   2.203
  217    HG2  LYS  32           HG2      LYS  32   4.137  10.212   3.645
  218    HG3  LYS  32           HG1      LYS  32   5.681  10.338   2.798
  219    HD2  LYS  32           HD2      LYS  32   4.660  11.870   1.179
  220    HD3  LYS  32           HD1      LYS  32   3.123  11.748   2.035
  221    HE2  LYS  32           HE2      LYS  32   4.110  12.739   4.007
  222    HE3  LYS  32           HE1      LYS  32   5.692  12.768   3.232
  223    HZ1  LYS  32           HZ1      LYS  32   3.293  14.305   2.402
  224    HZ2  LYS  32           HZ2      LYS  32   4.755  14.274   1.552
  225    HZ3  LYS  32           HZ3      LYS  32   4.698  14.930   3.108
  226    H    GLY  33           HN       GLY  33   6.300   8.852  -1.629
  227    HA2  GLY  33           HA2      GLY  33   8.690   8.666  -1.669
  228    HA3  GLY  33           HA1      GLY  33   8.644   8.174   0.019
  229    H    GLY  34           HN       GLY  34   6.170   6.537  -1.012
  230    HA2  GLY  34           HA2      GLY  34   5.860   4.481  -2.116
  231    HA3  GLY  34           HA1      GLY  34   7.598   4.376  -2.361
  232    H    PHE  35           HN       PHE  35   6.707   5.296   0.780
  233    HA   PHE  35           HA       PHE  35   7.288   2.557   1.694
  234    HB2  PHE  35           HB2      PHE  35   7.742   5.123   3.234
  235    HB3  PHE  35           HB1      PHE  35   8.266   3.510   3.696
  236    HD1  PHE  35           HD1      PHE  35   9.014   6.469   1.781
  237    HD2  PHE  35           HD2      PHE  35  10.087   2.404   2.427
  238    HE1  PHE  35           HE1      PHE  35  11.172   6.869   0.674
  239    HE2  PHE  35           HE2      PHE  35  12.246   2.798   1.324
  240    HZ   PHE  35           HZ       PHE  35  12.792   5.031   0.441
  241    H    VAL  36           HN       VAL  36   5.121   5.232   1.869
  242    HA   VAL  36           HA       VAL  36   3.807   4.211   4.256
  243    HB   VAL  36           HB       VAL  36   3.232   6.694   2.631
  244   HG11  VAL  36          HG11      VAL  36   2.190   5.849   5.333
  245   HG12  VAL  36          HG12      VAL  36   1.257   5.941   3.839
  246   HG13  VAL  36          HG13      VAL  36   1.908   7.410   4.565
  247   HG21  VAL  36          HG21      VAL  36   5.416   6.805   3.671
  248   HG22  VAL  36          HG22      VAL  36   4.727   6.331   5.224
  249   HG23  VAL  36          HG23      VAL  36   4.299   7.885   4.507
  250    H    CYS  37           HN       CYS  37   2.464   2.584   3.907
  251    HA   CYS  37           HA       CYS  37   0.967   2.146   1.543
  252    HB2  CYS  37           HB2      CYS  37   1.466   0.318   3.083
  253    HB3  CYS  37           HB1      CYS  37   0.570   1.123   4.367
  254    H    LYS  38           HN       LYS  38  -0.403   3.712   0.888
  255    HA   LYS  38           HA       LYS  38  -2.118   4.970   2.920
  256    HB2  LYS  38           HB2      LYS  38  -0.590   6.377   1.425
  257    HB3  LYS  38           HB1      LYS  38  -1.690   5.976   0.120
  258    HG2  LYS  38           HG2      LYS  38  -3.533   6.985   1.344
  259    HG3  LYS  38           HG1      LYS  38  -2.444   7.376   2.675
  260    HD2  LYS  38           HD2      LYS  38  -2.827   9.315   1.263
  261    HD3  LYS  38           HD1      LYS  38  -1.139   8.809   1.183
  262    HE2  LYS  38           HE2      LYS  38  -1.545   7.699  -0.930
  263    HE3  LYS  38           HE1      LYS  38  -3.259   8.102  -0.838
  264    HZ1  LYS  38           HZ1      LYS  38  -1.954   9.574  -2.301
  265    HZ2  LYS  38           HZ2      LYS  38  -1.082  10.112  -0.955
  266    HZ3  LYS  38           HZ3      LYS  38  -2.743  10.405  -1.057
  267    H    CYS  39           HN       CYS  39  -4.312   5.201   2.536
  268    HA   CYS  39           HA       CYS  39  -5.391   3.250   0.613
  269    HB2  CYS  39           HB2      CYS  39  -6.720   4.283   3.128
  270    HB3  CYS  39           HB1      CYS  39  -7.265   2.956   2.111
  271    H    TYR  40           HN       TYR  40  -7.040   3.886  -0.765
  272    HA   TYR  40           HA       TYR  40  -7.845   6.707  -0.589
  273    HB2  TYR  40           HB2      TYR  40  -7.804   6.884  -3.021
  274    HB3  TYR  40           HB1      TYR  40  -6.218   6.414  -2.424
  275    HD1  TYR  40           HD1      TYR  40  -5.300   4.245  -2.931
  276    HD2  TYR  40           HD2      TYR  40  -9.177   5.320  -4.309
  277    HE1  TYR  40           HE1      TYR  40  -5.266   2.340  -4.470
  278    HE2  TYR  40           HE2      TYR  40  -9.159   3.409  -5.856
  279    HH   TYR  40           HH       TYR  40  -7.655   1.933  -6.939