*HEADER    UNKNOWN FUNCTION                        13-DEC-13   2MIH              
*TITLE     SOLUTION STRUCTURE OF THE CLAVATA-LIKE ENCODED PEPTIDE OF MELOIDOGYNE 
*TITLE    2 HAPLA - MHCLE6/7                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLAVATA-LIKE ENCODED PEPTIDE OF MELOIDOGYNE HAPLA -        
*COMPND   3 MHCLE6/7;                                                            
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MELOIDOGYNE HAPLA;                              
*SOURCE   4 ORGANISM_TAXID: 6305                                                 
*KEYWDS    CLE, CLAVATA, UNKNOWN FUNCTION                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.G.BOBAY, P.M.DIGENNARO, D.M.BIRD                                    
*REVDAT   1   24-DEC-14 2MIH    0                                                


assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 2.163 0.585 0.585 weight 1.000 ! spec=noesy_300ms, no=6, id=3, vol=1.190679e+04
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid   10 and name   HA) 3.131 1.331 2.869 weight 1.000 ! spec=noesy_300ms, no=9, id=6, vol=1.294297e+03
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 2.327 0.677 0.677 weight 1.000 ! spec=noesy_300ms, no=15, id=12, vol=7.680456e+03
    or (segid "    " and resid   13 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB1) 2.784 0.969 0.969 weight 1.000 ! spec=noesy_300ms, no=18, id=15, vol=2.618379e+03
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    9 and name  HB2) 3.766 1.773 1.773 weight 1.000 ! spec=noesy_300ms, no=46, id=42, vol=4.276475e+02
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    9 and name  HB2)
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    3 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=noesy_300ms, no=50, id=45, vol=3.757062e+03
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA) 2.842 1.010 1.010 weight 1.000 ! spec=noesy_300ms, no=57, id=50, vol=2.313521e+03
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HB2) 1.782 0.397 0.397 weight 1.000 ! spec=noesy_300ms, no=59, id=52, vol=3.805044e+04
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HB2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HG2) 2.333 0.681 0.681 weight 1.000 ! spec=noesy_300ms, no=73, id=61, vol=7.559868e+03
    or (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG2)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG1) 1.773 0.393 0.393 weight 1.000 ! spec=noesy_300ms, no=76, id=64, vol=3.934024e+04
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG2)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG2) 2.232 0.623 0.623 weight 1.000 ! spec=noesy_300ms, no=77, id=65, vol=9.876828e+03
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.279 0.649 0.649 weight 1.000 ! spec=noesy_300ms, no=79, id=66, vol=8.701238e+03
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.857 1.021 1.021 weight 1.000 ! spec=noesy_300ms, no=84, id=70, vol=2.241733e+03
    or (segid "    " and resid    7 and name  HG2) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HG2) 2.482 0.770 0.770 weight 1.000 ! spec=noesy_300ms, no=87, id=73, vol=5.216883e+03
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HG2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HB1) 1.895 0.449 0.449 weight 1.000 ! spec=noesy_300ms, no=91, id=77, vol=2.636419e+04
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2)
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name   HA) 3.731 1.740 1.740 weight 1.000 ! spec=noesy_50ms, no=4, id=89, vol=4.578714e+02
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name   HA)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name   HA)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 4.130 2.132 2.132 weight 1.000 ! spec=noesy_50ms, no=10, id=94, vol=2.489528e+02
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    1 and name   HA) 2.589 0.789 3.411 weight 1.000 ! spec=noesy_50ms, no=19, id=102, vol=4.104481e+03
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    1 and name   HA)
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   13 and name  HG2) 1.708 0.365 0.365 weight 1.000 ! spec=noesy_50ms, no=23, id=106, vol=4.979515e+04
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name  HG2)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HG2) 1.945 0.473 0.473 weight 1.000 ! spec=noesy_50ms, no=25, id=108, vol=2.277375e+04
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HG2)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 3.308 1.368 1.368 weight 1.000 ! spec=noesy_50ms, no=28, id=110, vol=9.416454e+02
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    1 and name  HE1) (segid "    " and resid    7 and name   HA) 2.110 0.556 0.556 weight 1.000 ! spec=noesy_300ms, no=1, id=0, vol=1.384521e+04
assign (segid "    " and resid    1 and name  HE1) (segid "    " and resid    8 and name  HB1) 2.912 1.060 1.060 weight 1.000 ! spec=noesy_300ms, no=2, id=1, vol=2.001099e+03
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HB) 2.815 0.991 0.991 weight 1.000 ! spec=noesy_300ms, no=5, id=2, vol=2.450055e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 3.140 1.232 1.232 weight 1.000 ! spec=noesy_300ms, no=7, id=4, vol=1.273897e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 2.034 0.234 3.966 weight 1.000 ! spec=noesy_300ms, no=8, id=5, vol=1.723280e+04
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB1) 3.074 1.181 1.181 weight 1.000 ! spec=noesy_300ms, no=10, id=7, vol=1.445761e+03
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   11 and name   HA) 2.228 0.620 0.620 weight 1.000 ! spec=noesy_300ms, no=11, id=8, vol=9.976646e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.982 1.112 1.112 weight 1.000 ! spec=noesy_300ms, no=12, id=9, vol=1.734433e+03
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.331 0.679 0.679 weight 1.000 ! spec=noesy_300ms, no=13, id=10, vol=7.610540e+03
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 2.427 0.736 0.736 weight 1.000 ! spec=noesy_300ms, no=14, id=11, vol=5.969879e+03
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB2) 2.927 1.071 1.071 weight 1.000 ! spec=noesy_300ms, no=17, id=14, vol=1.942428e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.303 0.663 0.663 weight 1.000 ! spec=noesy_300ms, no=19, id=16, vol=8.186915e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA2) 2.766 0.956 0.956 weight 1.000 ! spec=noesy_300ms, no=20, id=17, vol=2.725291e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA1) 2.796 0.977 0.977 weight 1.000 ! spec=noesy_300ms, no=21, id=18, vol=2.552735e+03
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    4 and name   HA) 2.159 0.583 0.583 weight 1.000 ! spec=noesy_300ms, no=22, id=19, vol=1.204389e+04
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=noesy_300ms, no=23, id=20, vol=2.377646e+03
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB1) 2.303 0.663 0.663 weight 1.000 ! spec=noesy_300ms, no=25, id=22, vol=8.176096e+03
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB2) 2.928 1.072 1.072 weight 1.000 ! spec=noesy_300ms, no=26, id=23, vol=1.937233e+03
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG22) 3.109 1.208 1.208 weight 1.000 ! spec=noesy_300ms, no=27, id=24, vol=1.350896e+03
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG23)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    2 and name   HN) 3.260 1.329 1.329 weight 1.000 ! spec=noesy_300ms, no=31, id=27, vol=1.016493e+03
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.994 1.120 1.120 weight 1.000 ! spec=noesy_300ms, no=34, id=30, vol=1.694190e+03
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.900 1.051 1.051 weight 1.000 ! spec=noesy_300ms, no=41, id=37, vol=2.052677e+03
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HG) 3.498 1.530 1.530 weight 1.000 ! spec=noesy_300ms, no=42, id=38, vol=6.660787e+02
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 3.624 1.642 1.642 weight 1.000 ! spec=noesy_300ms, no=44, id=40, vol=5.386215e+02
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name  HA1) 1.861 0.433 0.433 weight 1.000 ! spec=noesy_300ms, no=48, id=44, vol=2.940327e+04
assign (segid "    " and resid    7 and name  HD2) (segid "    " and resid    7 and name  HG1) 2.025 0.513 0.513 weight 1.000 ! spec=noesy_300ms, no=53, id=46, vol=1.767611e+04
assign (segid "    " and resid    6 and name  HA1) (segid "    " and resid    7 and name  HD2) 2.392 0.715 0.715 weight 1.000 ! spec=noesy_300ms, no=54, id=47, vol=6.514781e+03
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    7 and name  HD2) 2.255 0.635 0.635 weight 1.000 ! spec=noesy_300ms, no=55, id=48, vol=9.291104e+03
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid   14 and name  HB1) 2.616 0.856 0.856 weight 1.000 ! spec=noesy_300ms, no=56, id=49, vol=3.805605e+03
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.981 1.111 1.111 weight 1.000 ! spec=noesy_300ms, no=58, id=51, vol=1.739669e+03
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=noesy_300ms, no=61, id=54, vol=8.631408e+02
assign (segid "    " and resid   13 and name  HE2) (segid "    " and resid   13 and name  HG2) 1.980 0.490 0.490 weight 1.000 ! spec=noesy_300ms, no=62, id=55, vol=2.026955e+04
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 3.638 1.655 1.655 weight 1.000 ! spec=noesy_300ms, no=72, id=60, vol=5.261128e+02
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG1) 2.223 0.618 0.618 weight 1.000 ! spec=noesy_300ms, no=74, id=62, vol=1.010218e+04
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    9 and name  HB1) 2.314 0.669 0.669 weight 1.000 ! spec=noesy_300ms, no=75, id=63, vol=7.953816e+03
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG12) 2.391 0.715 0.715 weight 1.000 ! spec=noesy_300ms, no=81, id=68, vol=6.532032e+03
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG11)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG13)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    4 and name  HG1) 2.657 0.883 0.883 weight 1.000 ! spec=noesy_300ms, no=83, id=69, vol=3.465883e+03
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HG2) 2.590 0.839 0.839 weight 1.000 ! spec=noesy_300ms, no=97, id=83, vol=4.042144e+03
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB1) 2.738 0.937 0.937 weight 1.000 ! spec=noesy_50ms, no=8, id=92, vol=2.931998e+03
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1) 3.299 1.360 1.360 weight 1.000 ! spec=noesy_50ms, no=9, id=93, vol=9.581082e+02
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG1) 2.703 0.913 0.913 weight 1.000 ! spec=noesy_50ms, no=13, id=97, vol=3.169037e+03
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HB) 3.027 1.146 1.146 weight 1.000 ! spec=noesy_50ms, no=14, id=98, vol=1.603479e+03
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=noesy_50ms, no=15, id=99, vol=2.522095e+03
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HB2) 1.792 0.402 0.402 weight 1.000 ! spec=noesy_50ms, no=24, id=107, vol=3.723134e+04
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.796 0.403 0.403 weight 1.000 ! spec=noesy_50ms, no=26, id=109, vol=3.679654e+04
assign (segid "    " and resid   13 and name  HE2) (segid "    " and resid   13 and name  HD2) 1.705 -0.095 4.295 weight 1.000 ! spec=noesy_50ms, no=33, id=111, vol=5.020493e+04

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1  -1.677  -3.314  -4.104
    2    H2   HIS   1           HT2      HIS   1  -0.440  -4.462  -4.180
    3    H3   HIS   1           HT3      HIS   1  -0.777  -3.498  -5.526
    4    HA   HIS   1           HA       HIS   1   0.194  -2.511  -2.932
    5    HB2  HIS   1           HB2      HIS   1   1.639  -3.216  -5.457
    6    HB3  HIS   1           HB1      HIS   1   2.239  -1.901  -4.457
    7    HD1  HIS   1           HD1      HIS   1   3.623  -2.520  -2.458
    8    HD2  HIS   1           HD2      HIS   1   1.673  -5.794  -4.118
    9    HE1  HIS   1           HE1      HIS   1   4.480  -4.518  -1.191
   10    HE2  HIS   1           HE2      HIS   1   3.449  -6.499  -2.372
   11    H    GLN   2           HN       GLN   2  -1.399  -0.886  -2.916
   12    HA   GLN   2           HA       GLN   2  -1.822   0.779  -5.199
   13    HB2  GLN   2           HB2      GLN   2  -2.681   1.398  -2.382
   14    HB3  GLN   2           HB1      GLN   2  -3.397   1.982  -3.877
   15    HG2  GLN   2           HG2      GLN   2  -3.492  -0.807  -2.765
   16    HG3  GLN   2           HG1      GLN   2  -4.829   0.324  -2.955
   17   HE21  GLN   2          HE21      GLN   2  -4.387  -2.403  -3.967
   18   HE22  GLN   2          HE22      GLN   2  -4.596  -2.295  -5.685
   19    H    VAL   3           HN       VAL   3  -1.203   2.218  -2.020
   20    HA   VAL   3           HA       VAL   3   0.874   3.875  -3.292
   21    HB   VAL   3           HB       VAL   3  -1.115   4.880  -1.252
   22   HG11  VAL   3          HG11      VAL   3   0.983   6.098  -1.260
   23   HG12  VAL   3          HG12      VAL   3  -0.304   7.095  -1.937
   24   HG13  VAL   3          HG13      VAL   3   0.868   6.324  -3.005
   25   HG21  VAL   3          HG21      VAL   3  -2.212   6.059  -3.088
   26   HG22  VAL   3          HG22      VAL   3  -2.276   4.313  -3.323
   27   HG23  VAL   3          HG23      VAL   3  -1.125   5.284  -4.241
   28    HA   PRO   4           HA       PRO   4   2.699   2.343   0.671
   29    HB2  PRO   4           HB2      PRO   4   4.597   0.833  -0.904
   30    HB3  PRO   4           HB1      PRO   4   3.375   0.226   0.217
   31    HG2  PRO   4           HG2      PRO   4   3.200  -0.228  -2.436
   32    HG3  PRO   4           HG1      PRO   4   1.768   0.042  -1.417
   33    HD2  PRO   4           HD2      PRO   4   3.265   2.075  -3.075
   34    HD3  PRO   4           HD1      PRO   4   1.529   1.663  -3.133
   35    H    SER   5           HN       SER   5   5.051   2.254   1.251
   36    HA   SER   5           HA       SER   5   6.871   3.742  -0.471
   37    HB2  SER   5           HB2      SER   5   7.764   4.880   1.630
   38    HB3  SER   5           HB1      SER   5   6.193   5.454   1.072
   39    HG   SER   5           HG       SER   5   6.872   4.080   3.374
   40    H    GLY   6           HN       GLY   6   6.479   1.006  -0.076
   41    HA2  GLY   6           HA2      GLY   6   8.966  -0.033   0.602
   42    HA3  GLY   6           HA1      GLY   6   7.950  -0.144   2.036
   43    HA   PRO   7           HA       PRO   7   7.119  -3.877  -0.521
   44    HB2  PRO   7           HB2      PRO   7   7.327  -5.725   1.397
   45    HB3  PRO   7           HB1      PRO   7   8.760  -4.961   0.698
   46    HG2  PRO   7           HG2      PRO   7   7.392  -4.403   3.297
   47    HG3  PRO   7           HG1      PRO   7   9.126  -4.482   2.939
   48    HD2  PRO   7           HD2      PRO   7   7.656  -2.145   3.129
   49    HD3  PRO   7           HD1      PRO   7   9.195  -2.304   2.261
   50    H    ASN   8           HN       ASN   8   5.218  -2.177   1.513
   51    HA   ASN   8           HA       ASN   8   2.941  -3.749   0.766
   52    HB2  ASN   8           HB2      ASN   8   2.071  -4.110   3.011
   53    HB3  ASN   8           HB1      ASN   8   3.645  -4.875   2.836
   54   HD21  ASN   8          HD21      ASN   8   1.802  -2.471   4.470
   55   HD22  ASN   8          HD22      ASN   8   3.028  -1.982   5.590
   56    HA   PRO   9           HA       PRO   9   1.441   0.389   0.398
   57    HB2  PRO   9           HB2      PRO   9  -1.229  -0.892   0.653
   58    HB3  PRO   9           HB1      PRO   9  -0.604   0.168  -0.617
   59    HG2  PRO   9           HG2      PRO   9  -0.821  -2.403  -1.120
   60    HG3  PRO   9           HG1      PRO   9   0.653  -1.534  -1.590
   61    HD2  PRO   9           HD2      PRO   9   0.202  -3.273   0.821
   62    HD3  PRO   9           HD1      PRO   9   1.536  -3.317  -0.357
   63    H    LEU  10           HN       LEU  10   1.517   1.774   1.951
   64    HA   LEU  10           HA       LEU  10   0.644   1.030   4.596
   65    HB2  LEU  10           HB2      LEU  10   1.993   3.521   3.570
   66    HB3  LEU  10           HB1      LEU  10   1.493   3.331   5.236
   67    HG   LEU  10           HG       LEU  10   3.771   2.851   5.257
   68   HD11  LEU  10          HD11      LEU  10   2.435   0.170   4.990
   69   HD12  LEU  10          HD12      LEU  10   2.453   1.172   6.439
   70   HD13  LEU  10          HD13      LEU  10   3.959   0.508   5.809
   71   HD21  LEU  10          HD21      LEU  10   4.142   2.733   2.868
   72   HD22  LEU  10          HD22      LEU  10   3.376   1.146   2.808
   73   HD23  LEU  10          HD23      LEU  10   4.895   1.362   3.680
   74    H    HIS  11           HN       HIS  11  -0.968   1.993   2.073
   75    HA   HIS  11           HA       HIS  11  -3.155   3.151   3.517
   76    HB2  HIS  11           HB2      HIS  11  -1.569   5.103   3.026
   77    HB3  HIS  11           HB1      HIS  11  -1.908   4.831   1.322
   78    HD1  HIS  11           HD1      HIS  11  -3.478   6.091   4.483
   79    HD2  HIS  11           HD2      HIS  11  -4.366   5.804   0.434
   80    HE1  HIS  11           HE1      HIS  11  -5.512   7.528   4.131
   81    HE2  HIS  11           HE2      HIS  11  -5.912   7.486   1.646
   82    H    ASN  12           HN       ASN  12  -5.056   3.303   2.186
   83    HA   ASN  12           HA       ASN  12  -6.529   2.503   0.664
   84    HB2  ASN  12           HB2      ASN  12  -4.126   2.046  -1.119
   85    HB3  ASN  12           HB1      ASN  12  -5.808   1.978  -1.626
   86   HD21  ASN  12          HD21      ASN  12  -6.997   3.907  -1.744
   87   HD22  ASN  12          HD22      ASN  12  -6.207   5.443  -1.851
   88    H    LYS  13           HN       LYS  13  -4.885   0.892   2.576
   89    HA   LYS  13           HA       LYS  13  -5.019  -1.207   3.411
   90    HB2  LYS  13           HB2      LYS  13  -7.315  -1.299   2.546
   91    HB3  LYS  13           HB1      LYS  13  -6.710  -1.856   0.992
   92    HG2  LYS  13           HG2      LYS  13  -5.792  -3.862   2.127
   93    HG3  LYS  13           HG1      LYS  13  -6.548  -3.314   3.621
   94    HD2  LYS  13           HD2      LYS  13  -8.020  -3.897   1.059
   95    HD3  LYS  13           HD1      LYS  13  -7.882  -5.007   2.421
   96    HE2  LYS  13           HE2      LYS  13  -9.026  -3.398   3.857
   97    HE3  LYS  13           HE1      LYS  13  -9.144  -2.269   2.509
   98    HZ1  LYS  13           HZ1      LYS  13 -11.202  -3.509   2.850
   99    HZ2  LYS  13           HZ2      LYS  13 -10.386  -4.964   2.592
  100    HZ3  LYS  13           HZ3      LYS  13 -10.529  -3.842   1.334
  101    H    LYS  14           HN       LYS  14  -5.039  -2.081  -0.057
  102    HA   LYS  14           HA       LYS  14  -2.258  -2.748  -0.014
  103    HB2  LYS  14           HB2      LYS  14  -2.489  -5.153  -0.364
  104    HB3  LYS  14           HB1      LYS  14  -3.132  -4.680   1.201
  105    HG2  LYS  14           HG2      LYS  14  -5.390  -4.839   0.363
  106    HG3  LYS  14           HG1      LYS  14  -4.792  -5.207  -1.254
  107    HD2  LYS  14           HD2      LYS  14  -3.691  -7.231  -0.303
  108    HD3  LYS  14           HD1      LYS  14  -4.485  -6.874   1.231
  109    HE2  LYS  14           HE2      LYS  14  -5.757  -8.530   0.009
  110    HE3  LYS  14           HE1      LYS  14  -6.670  -7.026   0.117
  111    HZ1  LYS  14           HZ1      LYS  14  -5.967  -6.491  -2.141
  112    HZ2  LYS  14           HZ2      LYS  14  -6.795  -7.962  -2.099
  113    HZ3  LYS  14           HZ3      LYS  14  -5.112  -7.943  -2.238
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1   1.963  -3.371  -6.377
    2    H2   HIS   1           HT2      HIS   1   2.740  -4.060  -5.048
    3    H3   HIS   1           HT3      HIS   1   3.135  -2.488  -5.538
    4    HA   HIS   1           HA       HIS   1   0.540  -3.387  -4.416
    5    HB2  HIS   1           HB2      HIS   1   2.426  -1.318  -3.287
    6    HB3  HIS   1           HB1      HIS   1   1.050  -2.065  -2.499
    7    HD1  HIS   1           HD1      HIS   1   1.538  -4.038  -1.035
    8    HD2  HIS   1           HD2      HIS   1   4.702  -3.124  -3.565
    9    HE1  HIS   1           HE1      HIS   1   3.517  -5.307  -0.133
   10    HE2  HIS   1           HE2      HIS   1   5.431  -4.677  -1.632
   11    H    GLN   2           HN       GLN   2  -0.589  -1.109  -3.677
   12    HA   GLN   2           HA       GLN   2  -1.116   0.283  -6.092
   13    HB2  GLN   2           HB2      GLN   2  -2.804   0.011  -4.313
   14    HB3  GLN   2           HB1      GLN   2  -1.873   1.081  -3.281
   15    HG2  GLN   2           HG2      GLN   2  -3.702   2.294  -4.239
   16    HG3  GLN   2           HG1      GLN   2  -2.191   2.895  -4.916
   17   HE21  GLN   2          HE21      GLN   2  -1.722   2.495  -7.093
   18   HE22  GLN   2          HE22      GLN   2  -2.933   1.964  -8.205
   19    H    VAL   3           HN       VAL   3  -0.465   2.266  -3.239
   20    HA   VAL   3           HA       VAL   3   1.985   3.268  -4.483
   21    HB   VAL   3           HB       VAL   3  -0.212   5.134  -3.555
   22   HG11  VAL   3          HG11      VAL   3   1.211   6.904  -4.465
   23   HG12  VAL   3          HG12      VAL   3   2.444   5.709  -4.867
   24   HG13  VAL   3          HG13      VAL   3   2.032   6.018  -3.181
   25   HG21  VAL   3          HG21      VAL   3  -0.409   5.788  -5.913
   26   HG22  VAL   3          HG22      VAL   3  -0.821   4.092  -5.672
   27   HG23  VAL   3          HG23      VAL   3   0.744   4.530  -6.354
   28    HA   PRO   4           HA       PRO   4   2.680   3.207   0.049
   29    HB2  PRO   4           HB2      PRO   4   4.352   1.002   0.021
   30    HB3  PRO   4           HB1      PRO   4   2.634   0.963   0.411
   31    HG2  PRO   4           HG2      PRO   4   3.922  -0.210  -1.832
   32    HG3  PRO   4           HG1      PRO   4   2.185  -0.130  -1.501
   33    HD2  PRO   4           HD2      PRO   4   3.860   1.593  -3.254
   34    HD3  PRO   4           HD1      PRO   4   2.142   1.156  -3.401
   35    H    SER   5           HN       SER   5   5.009   2.783   1.073
   36    HA   SER   5           HA       SER   5   7.074   3.815  -0.751
   37    HB2  SER   5           HB2      SER   5   6.851   4.346   2.225
   38    HB3  SER   5           HB1      SER   5   8.062   5.012   1.128
   39    HG   SER   5           HG       SER   5   5.344   5.419   0.558
   40    H    GLY   6           HN       GLY   6   6.274   1.101  -0.181
   41    HA2  GLY   6           HA2      GLY   6   8.601  -0.292   0.073
   42    HA3  GLY   6           HA1      GLY   6   8.060  -0.065   1.728
   43    HA   PRO   7           HA       PRO   7   5.720  -3.880   1.066
   44    HB2  PRO   7           HB2      PRO   7   4.585  -3.048   3.678
   45    HB3  PRO   7           HB1      PRO   7   5.366  -4.565   3.223
   46    HG2  PRO   7           HG2      PRO   7   6.615  -2.813   4.782
   47    HG3  PRO   7           HG1      PRO   7   7.501  -3.707   3.531
   48    HD2  PRO   7           HD2      PRO   7   6.496  -0.883   3.486
   49    HD3  PRO   7           HD1      PRO   7   8.056  -1.531   2.935
   50    H    ASN   8           HN       ASN   8   3.201  -3.479   2.859
   51    HA   ASN   8           HA       ASN   8   1.438  -3.299   0.724
   52    HB2  ASN   8           HB2      ASN   8  -0.325  -3.384   2.327
   53    HB3  ASN   8           HB1      ASN   8   1.001  -4.356   2.949
   54   HD21  ASN   8          HD21      ASN   8   2.482  -1.873   3.771
   55   HD22  ASN   8          HD22      ASN   8   1.686  -1.357   5.216
   56    HA   PRO   9           HA       PRO   9   0.840   0.836  -0.418
   57    HB2  PRO   9           HB2      PRO   9  -2.088   0.566  -0.139
   58    HB3  PRO   9           HB1      PRO   9  -1.119   0.939  -1.563
   59    HG2  PRO   9           HG2      PRO   9  -2.268  -1.447  -1.270
   60    HG3  PRO   9           HG1      PRO   9  -0.662  -1.283  -1.999
   61    HD2  PRO   9           HD2      PRO   9  -1.410  -2.151   0.763
   62    HD3  PRO   9           HD1      PRO   9  -0.156  -2.790  -0.320
   63    H    LEU  10           HN       LEU  10   1.681   1.305   1.812
   64    HA   LEU  10           HA       LEU  10   1.743   2.531   3.700
   65    HB2  LEU  10           HB2      LEU  10   1.254   4.231   1.904
   66    HB3  LEU  10           HB1      LEU  10  -0.429   4.156   2.379
   67    HG   LEU  10           HG       LEU  10   0.278   4.892   4.677
   68   HD11  LEU  10          HD11      LEU  10   2.889   5.405   3.266
   69   HD12  LEU  10          HD12      LEU  10   2.612   4.246   4.565
   70   HD13  LEU  10          HD13      LEU  10   2.464   5.974   4.879
   71   HD21  LEU  10          HD21      LEU  10   0.525   7.234   4.041
   72   HD22  LEU  10          HD22      LEU  10  -0.705   6.434   3.063
   73   HD23  LEU  10          HD23      LEU  10   0.892   6.750   2.386
   74    H    HIS  11           HN       HIS  11  -0.275   0.360   3.481
   75    HA   HIS  11           HA       HIS  11  -2.011  -0.588   4.557
   76    HB2  HIS  11           HB2      HIS  11  -0.243  -0.245   6.372
   77    HB3  HIS  11           HB1      HIS  11  -1.234   1.098   6.932
   78    HD1  HIS  11           HD1      HIS  11  -1.521  -2.643   6.338
   79    HD2  HIS  11           HD2      HIS  11  -3.244   0.367   8.634
   80    HE1  HIS  11           HE1      HIS  11  -3.096  -3.808   7.918
   81    HE2  HIS  11           HE2      HIS  11  -4.016  -1.984   9.386
   82    H    ASN  12           HN       ASN  12  -2.633   1.910   3.147
   83    HA   ASN  12           HA       ASN  12  -5.186   2.350   4.561
   84    HB2  ASN  12           HB2      ASN  12  -5.498   4.383   3.251
   85    HB3  ASN  12           HB1      ASN  12  -3.961   4.460   4.101
   86   HD21  ASN  12          HD21      ASN  12  -2.080   4.488   2.950
   87   HD22  ASN  12          HD22      ASN  12  -2.018   4.672   1.232
   88    H    LYS  13           HN       LYS  13  -3.721   0.545   2.375
   89    HA   LYS  13           HA       LYS  13  -6.132  -0.321   1.076
   90    HB2  LYS  13           HB2      LYS  13  -3.977   1.121  -0.460
   91    HB3  LYS  13           HB1      LYS  13  -4.946  -0.122  -1.231
   92    HG2  LYS  13           HG2      LYS  13  -6.079   2.334   0.084
   93    HG3  LYS  13           HG1      LYS  13  -5.737   2.190  -1.641
   94    HD2  LYS  13           HD2      LYS  13  -7.312   0.350  -1.816
   95    HD3  LYS  13           HD1      LYS  13  -7.603   0.417  -0.077
   96    HE2  LYS  13           HE2      LYS  13  -8.524   2.648  -0.290
   97    HE3  LYS  13           HE1      LYS  13  -8.173   2.651  -2.017
   98    HZ1  LYS  13           HZ1      LYS  13 -10.019   0.751  -0.673
   99    HZ2  LYS  13           HZ2      LYS  13  -9.737   0.872  -2.338
  100    HZ3  LYS  13           HZ3      LYS  13 -10.504   2.135  -1.518
  101    H    LYS  14           HN       LYS  14  -5.533  -2.190  -0.458
  102    HA   LYS  14           HA       LYS  14  -2.926  -3.294  -0.323
  103    HB2  LYS  14           HB2      LYS  14  -3.547  -5.412   0.854
  104    HB3  LYS  14           HB1      LYS  14  -3.484  -4.000   1.892
  105    HG2  LYS  14           HG2      LYS  14  -5.931  -3.852   1.824
  106    HG3  LYS  14           HG1      LYS  14  -5.976  -5.289   0.799
  107    HD2  LYS  14           HD2      LYS  14  -4.962  -6.612   2.551
  108    HD3  LYS  14           HD1      LYS  14  -4.804  -5.185   3.576
  109    HE2  LYS  14           HE2      LYS  14  -7.398  -6.377   2.601
  110    HE3  LYS  14           HE1      LYS  14  -6.721  -6.576   4.216
  111    HZ1  LYS  14           HZ1      LYS  14  -7.547  -3.999   2.994
  112    HZ2  LYS  14           HZ2      LYS  14  -6.899  -4.188   4.543
  113    HZ3  LYS  14           HZ3      LYS  14  -8.407  -4.851   4.173
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1  -0.086  -3.803  -4.795
    2    H2   HIS   1           HT2      HIS   1   1.347  -4.574  -4.342
    3    H3   HIS   1           HT3      HIS   1   1.268  -3.729  -5.805
    4    HA   HIS   1           HA       HIS   1   1.075  -2.546  -3.098
    5    HB2  HIS   1           HB2      HIS   1   3.264  -2.489  -5.183
    6    HB3  HIS   1           HB1      HIS   1   3.205  -1.391  -3.811
    7    HD1  HIS   1           HD1      HIS   1   3.741  -2.374  -1.474
    8    HD2  HIS   1           HD2      HIS   1   4.015  -5.118  -4.583
    9    HE1  HIS   1           HE1      HIS   1   4.814  -4.414  -0.474
   10    HE2  HIS   1           HE2      HIS   1   4.789  -6.119  -2.334
   11    H    GLN   2           HN       GLN   2  -0.824  -1.488  -3.560
   12    HA   GLN   2           HA       GLN   2  -1.448  -0.062  -5.850
   13    HB2  GLN   2           HB2      GLN   2  -3.048  -0.713  -4.093
   14    HB3  GLN   2           HB1      GLN   2  -2.346   0.489  -3.019
   15    HG2  GLN   2           HG2      GLN   2  -4.409   1.296  -3.992
   16    HG3  GLN   2           HG1      GLN   2  -3.044   2.258  -4.546
   17   HE21  GLN   2          HE21      GLN   2  -4.095   2.967  -6.371
   18   HE22  GLN   2          HE22      GLN   2  -4.434   1.939  -7.720
   19    H    VAL   3           HN       VAL   3  -1.007   1.794  -2.846
   20    HA   VAL   3           HA       VAL   3   1.043   3.404  -4.196
   21    HB   VAL   3           HB       VAL   3  -1.256   4.633  -2.652
   22   HG11  VAL   3          HG11      VAL   3   0.835   5.879  -2.442
   23   HG12  VAL   3          HG12      VAL   3  -0.337   6.768  -3.414
   24   HG13  VAL   3          HG13      VAL   3   0.995   5.921  -4.198
   25   HG21  VAL   3          HG21      VAL   3  -2.021   3.815  -4.818
   26   HG22  VAL   3          HG22      VAL   3  -0.710   4.676  -5.619
   27   HG23  VAL   3          HG23      VAL   3  -1.981   5.576  -4.792
   28    HA   PRO   4           HA       PRO   4   2.312   2.608   0.131
   29    HB2  PRO   4           HB2      PRO   4   4.342   0.842  -0.488
   30    HB3  PRO   4           HB1      PRO   4   2.693   0.378  -0.076
   31    HG2  PRO   4           HG2      PRO   4   4.011   0.066  -2.583
   32    HG3  PRO   4           HG1      PRO   4   2.327  -0.315  -2.191
   33    HD2  PRO   4           HD2      PRO   4   3.461   2.094  -3.511
   34    HD3  PRO   4           HD1      PRO   4   1.854   1.354  -3.689
   35    H    SER   5           HN       SER   5   4.492   2.798   1.133
   36    HA   SER   5           HA       SER   5   6.402   4.309  -0.513
   37    HB2  SER   5           HB2      SER   5   5.919   4.654   2.460
   38    HB3  SER   5           HB1      SER   5   6.986   5.624   1.444
   39    HG   SER   5           HG       SER   5   4.833   5.938   0.214
   40    H    GLY   6           HN       GLY   6   6.417   1.586  -0.440
   41    HA2  GLY   6           HA2      GLY   6   8.741   0.533  -0.106
   42    HA3  GLY   6           HA1      GLY   6   8.384   0.799   1.595
   43    HA   PRO   7           HA       PRO   7   7.047  -3.512   0.873
   44    HB2  PRO   7           HB2      PRO   7   7.137  -3.530   3.824
   45    HB3  PRO   7           HB1      PRO   7   7.931  -4.602   2.667
   46    HG2  PRO   7           HG2      PRO   7   9.318  -2.786   4.060
   47    HG3  PRO   7           HG1      PRO   7   9.730  -3.183   2.382
   48    HD2  PRO   7           HD2      PRO   7   8.252  -0.816   3.459
   49    HD3  PRO   7           HD1      PRO   7   9.472  -0.895   2.172
   50    H    ASN   8           HN       ASN   8   5.129  -4.437   1.009
   51    HA   ASN   8           HA       ASN   8   2.897  -4.671   1.080
   52    HB2  ASN   8           HB2      ASN   8   3.362  -4.943   3.453
   53    HB3  ASN   8           HB1      ASN   8   3.201  -3.211   3.707
   54   HD21  ASN   8          HD21      ASN   8   1.167  -2.294   3.761
   55   HD22  ASN   8          HD22      ASN   8  -0.286  -3.226   3.822
   56    HA   PRO   9           HA       PRO   9   1.227  -0.835  -0.509
   57    HB2  PRO   9           HB2      PRO   9  -1.443  -1.939  -0.318
   58    HB3  PRO   9           HB1      PRO   9  -0.511  -1.585  -1.770
   59    HG2  PRO   9           HG2      PRO   9  -1.138  -4.113  -0.920
   60    HG3  PRO   9           HG1      PRO   9   0.251  -3.727  -1.941
   61    HD2  PRO   9           HD2      PRO   9   0.136  -4.312   0.972
   62    HD3  PRO   9           HD1      PRO   9   1.404  -4.703  -0.211
   63    H    LEU  10           HN       LEU  10   1.448   0.568   1.160
   64    HA   LEU  10           HA       LEU  10   0.873   0.006   3.766
   65    HB2  LEU  10           HB2      LEU  10   0.992   2.731   2.465
   66    HB3  LEU  10           HB1      LEU  10   1.063   2.448   4.193
   67    HG   LEU  10           HG       LEU  10   3.101   1.571   2.149
   68   HD11  LEU  10          HD11      LEU  10   3.171   3.949   2.669
   69   HD12  LEU  10          HD12      LEU  10   4.575   3.114   3.330
   70   HD13  LEU  10          HD13      LEU  10   3.245   3.578   4.390
   71   HD21  LEU  10          HD21      LEU  10   2.919  -0.115   3.873
   72   HD22  LEU  10          HD22      LEU  10   3.020   1.121   5.127
   73   HD23  LEU  10          HD23      LEU  10   4.408   0.804   4.088
   74    H    HIS  11           HN       HIS  11  -0.827   0.362   5.155
   75    HA   HIS  11           HA       HIS  11  -3.356  -0.071   4.169
   76    HB2  HIS  11           HB2      HIS  11  -4.209   0.324   6.403
   77    HB3  HIS  11           HB1      HIS  11  -2.682  -0.539   6.500
   78    HD1  HIS  11           HD1      HIS  11  -0.749   0.618   7.705
   79    HD2  HIS  11           HD2      HIS  11  -4.157   2.977   7.380
   80    HE1  HIS  11           HE1      HIS  11  -0.355   2.588   9.215
   81    HE2  HIS  11           HE2      HIS  11  -2.508   3.894   9.151
   82    H    ASN  12           HN       ASN  12  -5.214   1.079   3.959
   83    HA   ASN  12           HA       ASN  12  -6.549   2.791   3.335
   84    HB2  ASN  12           HB2      ASN  12  -4.344   4.553   4.415
   85    HB3  ASN  12           HB1      ASN  12  -5.836   5.177   3.722
   86   HD21  ASN  12          HD21      ASN  12  -6.470   6.137   5.625
   87   HD22  ASN  12          HD22      ASN  12  -7.027   5.228   6.988
   88    H    LYS  13           HN       LYS  13  -3.643   1.975   2.073
   89    HA   LYS  13           HA       LYS  13  -4.397   3.128  -0.505
   90    HB2  LYS  13           HB2      LYS  13  -1.640   3.351   0.717
   91    HB3  LYS  13           HB1      LYS  13  -1.973   3.615  -0.988
   92    HG2  LYS  13           HG2      LYS  13  -3.483   5.462  -0.382
   93    HG3  LYS  13           HG1      LYS  13  -3.074   5.212   1.316
   94    HD2  LYS  13           HD2      LYS  13  -0.730   5.696   0.815
   95    HD3  LYS  13           HD1      LYS  13  -1.144   5.938  -0.882
   96    HE2  LYS  13           HE2      LYS  13  -0.949   8.075   0.248
   97    HE3  LYS  13           HE1      LYS  13  -2.616   7.791  -0.250
   98    HZ1  LYS  13           HZ1      LYS  13  -2.442   8.695   2.003
   99    HZ2  LYS  13           HZ2      LYS  13  -1.568   7.333   2.490
  100    HZ3  LYS  13           HZ3      LYS  13  -3.173   7.173   1.991
  101    H    LYS  14           HN       LYS  14  -4.929   0.588   0.260
  102    HA   LYS  14           HA       LYS  14  -2.881  -1.005  -1.118
  103    HB2  LYS  14           HB2      LYS  14  -3.017  -2.756   0.420
  104    HB3  LYS  14           HB1      LYS  14  -3.109  -1.335   1.448
  105    HG2  LYS  14           HG2      LYS  14  -5.453  -3.002   0.553
  106    HG3  LYS  14           HG1      LYS  14  -4.678  -3.066   2.135
  107    HD2  LYS  14           HD2      LYS  14  -5.364  -0.841   2.640
  108    HD3  LYS  14           HD1      LYS  14  -5.946  -0.589   0.994
  109    HE2  LYS  14           HE2      LYS  14  -7.553  -2.493   1.409
  110    HE3  LYS  14           HE1      LYS  14  -7.089  -2.396   3.108
  111    HZ1  LYS  14           HZ1      LYS  14  -8.251  -0.176   1.520
  112    HZ2  LYS  14           HZ2      LYS  14  -7.849  -0.115   3.161
  113    HZ3  LYS  14           HZ3      LYS  14  -9.095  -1.127   2.635
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1  -0.871  -3.182  -4.614
    2    H2   HIS   1           HT2      HIS   1   0.370  -4.281  -4.291
    3    H3   HIS   1           HT3      HIS   1   0.334  -3.458  -5.767
    4    HA   HIS   1           HA       HIS   1   0.757  -2.257  -3.100
    5    HB2  HIS   1           HB2      HIS   1   2.595  -2.912  -5.386
    6    HB3  HIS   1           HB1      HIS   1   2.981  -1.595  -4.288
    7    HD1  HIS   1           HD1      HIS   1   4.171  -2.226  -2.176
    8    HD2  HIS   1           HD2      HIS   1   2.408  -5.500  -4.027
    9    HE1  HIS   1           HE1      HIS   1   4.827  -4.219  -0.781
   10    HE2  HIS   1           HE2      HIS   1   3.648  -6.166  -1.862
   11    H    GLN   2           HN       GLN   2  -0.942  -0.813  -3.408
   12    HA   GLN   2           HA       GLN   2  -1.357   0.728  -5.717
   13    HB2  GLN   2           HB2      GLN   2  -3.054   0.277  -3.965
   14    HB3  GLN   2           HB1      GLN   2  -2.192   1.361  -2.886
   15    HG2  GLN   2           HG2      GLN   2  -2.581   3.199  -4.497
   16    HG3  GLN   2           HG1      GLN   2  -3.552   2.091  -5.468
   17   HE21  GLN   2          HE21      GLN   2  -5.546   1.389  -4.674
   18   HE22  GLN   2          HE22      GLN   2  -6.351   2.207  -3.378
   19    H    VAL   3           HN       VAL   3  -0.683   2.349  -2.640
   20    HA   VAL   3           HA       VAL   3   1.424   3.886  -3.992
   21    HB   VAL   3           HB       VAL   3   0.673   5.874  -2.589
   22   HG11  VAL   3          HG11      VAL   3  -1.164   4.834  -4.747
   23   HG12  VAL   3          HG12      VAL   3   0.308   5.776  -4.988
   24   HG13  VAL   3          HG13      VAL   3  -1.087   6.506  -4.192
   25   HG21  VAL   3          HG21      VAL   3  -0.764   4.692  -1.019
   26   HG22  VAL   3          HG22      VAL   3  -1.819   4.184  -2.337
   27   HG23  VAL   3          HG23      VAL   3  -1.696   5.891  -1.916
   28    HA   PRO   4           HA       PRO   4   2.878   2.115   0.039
   29    HB2  PRO   4           HB2      PRO   4   4.933   0.726  -1.435
   30    HB3  PRO   4           HB1      PRO   4   3.578   0.047  -0.535
   31    HG2  PRO   4           HG2      PRO   4   3.758  -0.124  -3.232
   32    HG3  PRO   4           HG1      PRO   4   2.206  -0.005  -2.372
   33    HD2  PRO   4           HD2      PRO   4   3.796   2.196  -3.680
   34    HD3  PRO   4           HD1      PRO   4   2.068   1.800  -3.870
   35    H    SER   5           HN       SER   5   4.950   2.137   1.082
   36    HA   SER   5           HA       SER   5   7.055   3.752  -0.142
   37    HB2  SER   5           HB2      SER   5   5.550   5.151   1.410
   38    HB3  SER   5           HB1      SER   5   6.183   4.171   2.729
   39    HG   SER   5           HG       SER   5   7.270   6.258   2.185
   40    H    GLY   6           HN       GLY   6   6.799   1.005   0.048
   41    HA2  GLY   6           HA2      GLY   6   9.082   0.003   1.137
   42    HA3  GLY   6           HA1      GLY   6   7.934  -0.038   2.470
   43    HA   PRO   7           HA       PRO   7   7.443  -3.942   0.022
   44    HB2  PRO   7           HB2      PRO   7   7.287  -5.287   2.595
   45    HB3  PRO   7           HB1      PRO   7   8.457  -5.508   1.294
   46    HG2  PRO   7           HG2      PRO   7   9.101  -4.386   3.680
   47    HG3  PRO   7           HG1      PRO   7   9.913  -3.964   2.164
   48    HD2  PRO   7           HD2      PRO   7   7.758  -2.489   3.629
   49    HD3  PRO   7           HD1      PRO   7   9.207  -1.856   2.821
   50    H    ASN   8           HN       ASN   8   5.367  -2.043   1.517
   51    HA   ASN   8           HA       ASN   8   3.158  -3.739   0.804
   52    HB2  ASN   8           HB2      ASN   8   2.016  -3.703   2.923
   53    HB3  ASN   8           HB1      ASN   8   3.622  -4.374   3.167
   54   HD21  ASN   8          HD21      ASN   8   1.770  -3.130   5.053
   55   HD22  ASN   8          HD22      ASN   8   2.642  -1.823   5.778
   56    HA   PRO   9           HA       PRO   9   1.569   0.135  -0.390
   57    HB2  PRO   9           HB2      PRO   9  -1.179  -0.514   0.215
   58    HB3  PRO   9           HB1      PRO   9  -0.382  -0.451  -1.353
   59    HG2  PRO   9           HG2      PRO   9  -1.262  -2.760  -0.145
   60    HG3  PRO   9           HG1      PRO   9  -0.005  -2.686  -1.386
   61    HD2  PRO   9           HD2      PRO   9   0.250  -3.024   1.553
   62    HD3  PRO   9           HD1      PRO   9   1.261  -3.671   0.246
   63    H    LEU  10           HN       LEU  10   1.284   2.081   0.509
   64    HA   LEU  10           HA       LEU  10   1.051   2.160   3.384
   65    HB2  LEU  10           HB2      LEU  10   2.699   3.537   2.079
   66    HB3  LEU  10           HB1      LEU  10   1.352   4.479   1.473
   67    HG   LEU  10           HG       LEU  10   0.813   5.156   3.799
   68   HD11  LEU  10          HD11      LEU  10   1.747   3.261   4.987
   69   HD12  LEU  10          HD12      LEU  10   2.474   4.762   5.557
   70   HD13  LEU  10          HD13      LEU  10   3.371   3.707   4.465
   71   HD21  LEU  10          HD21      LEU  10   2.733   6.667   4.082
   72   HD22  LEU  10          HD22      LEU  10   2.160   6.612   2.416
   73   HD23  LEU  10          HD23      LEU  10   3.622   5.740   2.875
   74    H    HIS  11           HN       HIS  11  -1.206   1.208   2.713
   75    HA   HIS  11           HA       HIS  11  -3.236   3.154   3.306
   76    HB2  HIS  11           HB2      HIS  11  -2.831   2.227   0.537
   77    HB3  HIS  11           HB1      HIS  11  -4.477   2.066   1.140
   78    HD1  HIS  11           HD1      HIS  11  -4.246   3.975  -1.090
   79    HD2  HIS  11           HD2      HIS  11  -3.514   5.137   2.836
   80    HE1  HIS  11           HE1      HIS  11  -4.548   6.469  -1.048
   81    HE2  HIS  11           HE2      HIS  11  -3.974   7.163   1.301
   82    H    ASN  12           HN       ASN  12  -4.693   2.237   4.512
   83    HA   ASN  12           HA       ASN  12  -4.824  -0.550   4.989
   84    HB2  ASN  12           HB2      ASN  12  -5.646   1.260   6.554
   85    HB3  ASN  12           HB1      ASN  12  -7.006   1.502   5.464
   86   HD21  ASN  12          HD21      ASN  12  -8.644  -0.016   5.392
   87   HD22  ASN  12          HD22      ASN  12  -8.793  -1.280   6.564
   88    H    LYS  13           HN       LYS  13  -5.923   1.540   2.568
   89    HA   LYS  13           HA       LYS  13  -7.862  -0.389   1.503
   90    HB2  LYS  13           HB2      LYS  13  -6.954   2.305   0.465
   91    HB3  LYS  13           HB1      LYS  13  -8.141   1.284  -0.334
   92    HG2  LYS  13           HG2      LYS  13  -9.574   1.445   1.675
   93    HG3  LYS  13           HG1      LYS  13  -8.402   2.560   2.380
   94    HD2  LYS  13           HD2      LYS  13  -8.739   4.075   0.467
   95    HD3  LYS  13           HD1      LYS  13  -9.943   2.960  -0.180
   96    HE2  LYS  13           HE2      LYS  13 -11.034   4.780   0.987
   97    HE3  LYS  13           HE1      LYS  13 -11.290   3.261   1.845
   98    HZ1  LYS  13           HZ1      LYS  13 -10.748   5.075   3.352
   99    HZ2  LYS  13           HZ2      LYS  13  -9.273   5.319   2.564
  100    HZ3  LYS  13           HZ3      LYS  13  -9.559   3.875   3.397
  101    H    LYS  14           HN       LYS  14  -6.200  -2.030   1.314
  102    HA   LYS  14           HA       LYS  14  -4.270  -1.573  -0.846
  103    HB2  LYS  14           HB2      LYS  14  -3.221  -3.708   0.087
  104    HB3  LYS  14           HB1      LYS  14  -3.113  -2.263   1.080
  105    HG2  LYS  14           HG2      LYS  14  -5.013  -3.060   2.420
  106    HG3  LYS  14           HG1      LYS  14  -5.072  -4.525   1.442
  107    HD2  LYS  14           HD2      LYS  14  -3.896  -4.998   3.479
  108    HD3  LYS  14           HD1      LYS  14  -2.747  -5.026   2.141
  109    HE2  LYS  14           HE2      LYS  14  -1.988  -2.792   2.711
  110    HE3  LYS  14           HE1      LYS  14  -3.188  -2.692   3.999
  111    HZ1  LYS  14           HZ1      LYS  14  -1.013  -3.244   4.869
  112    HZ2  LYS  14           HZ2      LYS  14  -0.926  -4.611   3.883
  113    HZ3  LYS  14           HZ3      LYS  14  -2.080  -4.531   5.112
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1   2.200  -2.234  -5.848
    2    H2   HIS   1           HT2      HIS   1   0.850  -3.029  -6.467
    3    H3   HIS   1           HT3      HIS   1   1.814  -3.788  -5.310
    4    HA   HIS   1           HA       HIS   1  -0.223  -2.979  -4.308
    5    HB2  HIS   1           HB2      HIS   1   1.927  -1.073  -3.428
    6    HB3  HIS   1           HB1      HIS   1   0.704  -1.854  -2.449
    7    HD1  HIS   1           HD1      HIS   1   1.402  -3.961  -1.243
    8    HD2  HIS   1           HD2      HIS   1   4.129  -2.806  -4.160
    9    HE1  HIS   1           HE1      HIS   1   3.515  -5.225  -0.732
   10    HE2  HIS   1           HE2      HIS   1   5.033  -4.733  -2.692
   11    H    GLN   2           HN       GLN   2  -0.999  -0.641  -3.319
   12    HA   GLN   2           HA       GLN   2  -1.621   0.984  -5.591
   13    HB2  GLN   2           HB2      GLN   2  -3.133   0.699  -3.610
   14    HB3  GLN   2           HB1      GLN   2  -2.037   1.722  -2.694
   15    HG2  GLN   2           HG2      GLN   2  -2.404   3.491  -4.446
   16    HG3  GLN   2           HG1      GLN   2  -3.689   2.472  -5.088
   17   HE21  GLN   2          HE21      GLN   2  -5.296   3.945  -4.660
   18   HE22  GLN   2          HE22      GLN   2  -5.829   4.313  -3.057
   19    H    VAL   3           HN       VAL   3  -0.553   2.603  -2.649
   20    HA   VAL   3           HA       VAL   3   1.741   3.739  -4.088
   21    HB   VAL   3           HB       VAL   3   1.173   5.975  -2.991
   22   HG11  VAL   3          HG11      VAL   3   0.949   5.593  -5.385
   23   HG12  VAL   3          HG12      VAL   3  -0.363   6.613  -4.793
   24   HG13  VAL   3          HG13      VAL   3  -0.657   4.909  -5.140
   25   HG21  VAL   3          HG21      VAL   3  -1.532   4.656  -2.738
   26   HG22  VAL   3          HG22      VAL   3  -1.205   6.373  -2.509
   27   HG23  VAL   3          HG23      VAL   3  -0.503   5.188  -1.408
   28    HA   PRO   4           HA       PRO   4   2.858   2.377   0.181
   29    HB2  PRO   4           HB2      PRO   4   4.909   0.752  -1.028
   30    HB3  PRO   4           HB1      PRO   4   3.452   0.235  -0.174
   31    HG2  PRO   4           HG2      PRO   4   3.781  -0.185  -2.818
   32    HG3  PRO   4           HG1      PRO   4   2.196   0.153  -2.086
   33    HD2  PRO   4           HD2      PRO   4   4.073   2.095  -3.426
   34    HD3  PRO   4           HD1      PRO   4   2.344   1.801  -3.763
   35    H    SER   5           HN       SER   5   4.913   2.214   1.318
   36    HA   SER   5           HA       SER   5   7.186   3.614   0.091
   37    HB2  SER   5           HB2      SER   5   6.220   5.089   1.793
   38    HB3  SER   5           HB1      SER   5   6.243   3.783   2.973
   39    HG   SER   5           HG       SER   5   8.626   3.786   2.488
   40    H    GLY   6           HN       GLY   6   6.199   0.825   0.382
   41    HA2  GLY   6           HA2      GLY   6   8.549  -0.573   0.871
   42    HA3  GLY   6           HA1      GLY   6   7.611  -0.590   2.362
   43    HA   PRO   7           HA       PRO   7   6.067  -4.093  -0.254
   44    HB2  PRO   7           HB2      PRO   7   6.094  -5.671   2.175
   45    HB3  PRO   7           HB1      PRO   7   7.025  -5.904   0.695
   46    HG2  PRO   7           HG2      PRO   7   8.142  -5.157   3.063
   47    HG3  PRO   7           HG1      PRO   7   8.820  -4.719   1.486
   48    HD2  PRO   7           HD2      PRO   7   7.147  -3.080   3.355
   49    HD3  PRO   7           HD1      PRO   7   8.568  -2.600   2.401
   50    H    ASN   8           HN       ASN   8   4.479  -1.983   1.094
   51    HA   ASN   8           HA       ASN   8   2.015  -3.350   0.861
   52    HB2  ASN   8           HB2      ASN   8   1.137  -3.003   3.116
   53    HB3  ASN   8           HB1      ASN   8   2.550  -4.054   3.142
   54   HD21  ASN   8          HD21      ASN   8   1.298  -2.322   5.206
   55   HD22  ASN   8          HD22      ASN   8   2.578  -1.312   5.783
   56    HA   PRO   9           HA       PRO   9   1.149   0.701  -0.504
   57    HB2  PRO   9           HB2      PRO   9  -1.554   0.607  -0.620
   58    HB3  PRO   9           HB1      PRO   9  -0.515  -0.214  -1.785
   59    HG2  PRO   9           HG2      PRO   9  -1.930  -1.331   0.603
   60    HG3  PRO   9           HG1      PRO   9  -1.758  -2.021  -1.021
   61    HD2  PRO   9           HD2      PRO   9  -0.235  -2.814   1.074
   62    HD3  PRO   9           HD1      PRO   9   0.364  -2.808  -0.597
   63    H    LEU  10           HN       LEU  10   1.126   2.557   0.516
   64    HA   LEU  10           HA       LEU  10   0.876   2.697   3.272
   65    HB2  LEU  10           HB2      LEU  10   0.844   4.882   1.203
   66    HB3  LEU  10           HB1      LEU  10   0.836   5.209   2.924
   67    HG   LEU  10           HG       LEU  10   3.015   3.792   1.395
   68   HD11  LEU  10          HD11      LEU  10   4.345   5.763   1.987
   69   HD12  LEU  10          HD12      LEU  10   2.916   6.501   2.705
   70   HD13  LEU  10          HD13      LEU  10   2.964   6.175   0.973
   71   HD21  LEU  10          HD21      LEU  10   4.251   3.917   3.542
   72   HD22  LEU  10          HD22      LEU  10   2.859   2.838   3.596
   73   HD23  LEU  10          HD23      LEU  10   2.762   4.440   4.328
   74    H    HIS  11           HN       HIS  11  -0.956   2.209   4.278
   75    HA   HIS  11           HA       HIS  11  -3.020   2.425   5.152
   76    HB2  HIS  11           HB2      HIS  11  -2.938   5.158   3.861
   77    HB3  HIS  11           HB1      HIS  11  -4.140   4.634   5.035
   78    HD1  HIS  11           HD1      HIS  11  -3.301   4.297   7.509
   79    HD2  HIS  11           HD2      HIS  11  -0.508   5.942   4.909
   80    HE1  HIS  11           HE1      HIS  11  -1.496   5.250   8.973
   81    HE2  HIS  11           HE2      HIS  11   0.257   6.096   7.372
   82    H    ASN  12           HN       ASN  12  -2.703   1.285   2.494
   83    HA   ASN  12           HA       ASN  12  -5.571   1.444   1.809
   84    HB2  ASN  12           HB2      ASN  12  -4.057   2.127  -0.069
   85    HB3  ASN  12           HB1      ASN  12  -3.327   0.530  -0.007
   86   HD21  ASN  12          HD21      ASN  12  -4.330  -1.156  -1.011
   87   HD22  ASN  12          HD22      ASN  12  -5.813  -1.008  -1.884
   88    H    LYS  13           HN       LYS  13  -3.479  -0.106   3.581
   89    HA   LYS  13           HA       LYS  13  -3.189  -2.174   4.457
   90    HB2  LYS  13           HB2      LYS  13  -5.733  -2.975   3.037
   91    HB3  LYS  13           HB1      LYS  13  -5.003  -3.756   4.434
   92    HG2  LYS  13           HG2      LYS  13  -6.146  -0.972   4.395
   93    HG3  LYS  13           HG1      LYS  13  -6.956  -2.403   5.030
   94    HD2  LYS  13           HD2      LYS  13  -5.212  -2.658   6.708
   95    HD3  LYS  13           HD1      LYS  13  -4.352  -1.271   6.035
   96    HE2  LYS  13           HE2      LYS  13  -5.629  -0.649   8.027
   97    HE3  LYS  13           HE1      LYS  13  -6.221   0.183   6.591
   98    HZ1  LYS  13           HZ1      LYS  13  -8.022  -0.670   7.977
   99    HZ2  LYS  13           HZ2      LYS  13  -7.443  -2.248   7.780
  100    HZ3  LYS  13           HZ3      LYS  13  -8.028  -1.387   6.447
  101    H    LYS  14           HN       LYS  14  -4.729  -2.989   1.363
  102    HA   LYS  14           HA       LYS  14  -2.418  -3.753  -0.024
  103    HB2  LYS  14           HB2      LYS  14  -2.314  -5.524   1.715
  104    HB3  LYS  14           HB1      LYS  14  -3.929  -6.050   1.265
  105    HG2  LYS  14           HG2      LYS  14  -3.134  -6.711  -0.925
  106    HG3  LYS  14           HG1      LYS  14  -1.521  -6.107  -0.538
  107    HD2  LYS  14           HD2      LYS  14  -1.340  -7.717   1.276
  108    HD3  LYS  14           HD1      LYS  14  -2.958  -8.323   0.916
  109    HE2  LYS  14           HE2      LYS  14  -2.211  -9.051  -1.279
  110    HE3  LYS  14           HE1      LYS  14  -0.606  -8.390  -0.970
  111    HZ1  LYS  14           HZ1      LYS  14  -1.900 -10.604   0.524
  112    HZ2  LYS  14           HZ2      LYS  14  -0.381  -9.954   0.874
  113    HZ3  LYS  14           HZ3      LYS  14  -0.639 -10.758  -0.590
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1  -0.666  -3.331  -5.096
    2    H2   HIS   1           HT2      HIS   1   0.669  -4.356  -4.992
    3    H3   HIS   1           HT3      HIS   1   0.557  -3.239  -6.257
    4    HA   HIS   1           HA       HIS   1   0.874  -2.615  -3.383
    5    HB2  HIS   1           HB2      HIS   1   2.746  -2.546  -5.734
    6    HB3  HIS   1           HB1      HIS   1   3.003  -1.486  -4.357
    7    HD1  HIS   1           HD1      HIS   1   4.515  -2.406  -2.667
    8    HD2  HIS   1           HD2      HIS   1   2.590  -5.416  -4.787
    9    HE1  HIS   1           HE1      HIS   1   5.415  -4.557  -1.738
   10    HE2  HIS   1           HE2      HIS   1   4.157  -6.369  -2.962
   11    H    GLN   2           HN       GLN   2  -1.095  -1.337  -3.606
   12    HA   GLN   2           HA       GLN   2  -0.902   1.013  -5.315
   13    HB2  GLN   2           HB2      GLN   2  -3.076  -0.033  -3.505
   14    HB3  GLN   2           HB1      GLN   2  -3.201   1.481  -4.398
   15    HG2  GLN   2           HG2      GLN   2  -3.032   0.305  -6.497
   16    HG3  GLN   2           HG1      GLN   2  -2.767  -1.219  -5.655
   17   HE21  GLN   2          HE21      GLN   2  -4.834  -0.472  -7.558
   18   HE22  GLN   2          HE22      GLN   2  -6.343  -0.735  -6.756
   19    H    VAL   3           HN       VAL   3   0.070   2.752  -4.636
   20    HA   VAL   3           HA       VAL   3   1.021   4.351  -3.329
   21    HB   VAL   3           HB       VAL   3  -1.474   4.148  -1.650
   22   HG11  VAL   3          HG11      VAL   3   0.228   5.707  -0.858
   23   HG12  VAL   3          HG12      VAL   3  -1.197   6.567  -1.438
   24   HG13  VAL   3          HG13      VAL   3   0.255   6.492  -2.437
   25   HG21  VAL   3          HG21      VAL   3  -2.570   5.615  -3.267
   26   HG22  VAL   3          HG22      VAL   3  -2.119   4.079  -4.006
   27   HG23  VAL   3          HG23      VAL   3  -1.156   5.523  -4.317
   28    HA   PRO   4           HA       PRO   4   2.240   1.377   0.111
   29    HB2  PRO   4           HB2      PRO   4   4.799   1.368  -1.376
   30    HB3  PRO   4           HB1      PRO   4   3.894   0.015  -0.683
   31    HG2  PRO   4           HG2      PRO   4   3.897   0.311  -3.289
   32    HG3  PRO   4           HG1      PRO   4   2.360  -0.013  -2.439
   33    HD2  PRO   4           HD2      PRO   4   3.467   2.666  -3.297
   34    HD3  PRO   4           HD1      PRO   4   1.895   1.938  -3.721
   35    H    SER   5           HN       SER   5   3.611   1.759   1.804
   36    HA   SER   5           HA       SER   5   5.295   4.169   1.698
   37    HB2  SER   5           HB2      SER   5   4.165   2.844   4.181
   38    HB3  SER   5           HB1      SER   5   4.980   4.405   4.080
   39    HG   SER   5           HG       SER   5   2.389   3.898   3.840
   40    H    GLY   6           HN       GLY   6   5.665   1.336   0.890
   41    HA2  GLY   6           HA2      GLY   6   8.278   0.806   1.549
   42    HA3  GLY   6           HA1      GLY   6   7.310  -0.023   2.766
   43    HA   PRO   7           HA       PRO   7   7.413  -2.897  -0.833
   44    HB2  PRO   7           HB2      PRO   7   7.976  -5.142   0.515
   45    HB3  PRO   7           HB1      PRO   7   9.235  -3.971   0.106
   46    HG2  PRO   7           HG2      PRO   7   7.820  -4.403   2.703
   47    HG3  PRO   7           HG1      PRO   7   9.533  -4.063   2.403
   48    HD2  PRO   7           HD2      PRO   7   7.676  -2.177   3.178
   49    HD3  PRO   7           HD1      PRO   7   9.187  -1.807   2.326
   50    H    ASN   8           HN       ASN   8   5.059  -1.912   0.313
   51    HA   ASN   8           HA       ASN   8   3.200  -3.982  -0.142
   52    HB2  ASN   8           HB2      ASN   8   3.988  -4.781   2.049
   53    HB3  ASN   8           HB1      ASN   8   3.642  -3.211   2.764
   54   HD21  ASN   8          HD21      ASN   8   2.327  -6.195   1.617
   55   HD22  ASN   8          HD22      ASN   8   0.728  -5.960   2.232
   56    HA   PRO   9           HA       PRO   9   0.825  -0.248  -0.763
   57    HB2  PRO   9           HB2      PRO   9  -1.716  -1.278  -0.369
   58    HB3  PRO   9           HB1      PRO   9  -0.826  -1.332  -1.892
   59    HG2  PRO   9           HG2      PRO   9  -1.222  -3.449   0.152
   60    HG3  PRO   9           HG1      PRO   9  -1.070  -3.596  -1.603
   61    HD2  PRO   9           HD2      PRO   9   0.924  -4.227   0.133
   62    HD3  PRO   9           HD1      PRO   9   1.221  -3.655  -1.521
   63    H    LEU  10           HN       LEU  10   1.782   0.441   1.294
   64    HA   LEU  10           HA       LEU  10   0.183   0.054   3.694
   65    HB2  LEU  10           HB2      LEU  10   2.901   1.270   3.258
   66    HB3  LEU  10           HB1      LEU  10   2.121   1.168   4.822
   67    HG   LEU  10           HG       LEU  10   2.771  -1.242   3.129
   68   HD11  LEU  10          HD11      LEU  10   4.829  -0.087   3.733
   69   HD12  LEU  10          HD12      LEU  10   4.663  -1.590   4.640
   70   HD13  LEU  10          HD13      LEU  10   4.322  -0.046   5.421
   71   HD21  LEU  10          HD21      LEU  10   2.009  -0.940   6.033
   72   HD22  LEU  10          HD22      LEU  10   2.440  -2.451   5.234
   73   HD23  LEU  10          HD23      LEU  10   0.984  -1.585   4.750
   74    H    HIS  11           HN       HIS  11  -1.043   1.739   1.803
   75    HA   HIS  11           HA       HIS  11  -1.675   3.851   3.601
   76    HB2  HIS  11           HB2      HIS  11   0.281   4.877   2.454
   77    HB3  HIS  11           HB1      HIS  11  -0.552   4.684   0.915
   78    HD1  HIS  11           HD1      HIS  11  -0.508   6.775   4.007
   79    HD2  HIS  11           HD2      HIS  11  -2.646   6.509   0.454
   80    HE1  HIS  11           HE1      HIS  11  -1.859   8.889   3.872
   81    HE2  HIS  11           HE2      HIS  11  -3.259   8.634   1.793
   82    H    ASN  12           HN       ASN  12  -2.080   2.294   0.522
   83    HA   ASN  12           HA       ASN  12  -4.760   3.243   0.161
   84    HB2  ASN  12           HB2      ASN  12  -3.315   2.389  -1.697
   85    HB3  ASN  12           HB1      ASN  12  -3.432   0.780  -1.001
   86   HD21  ASN  12          HD21      ASN  12  -5.103   3.295  -2.713
   87   HD22  ASN  12          HD22      ASN  12  -6.451   2.335  -3.210
   88    H    LYS  13           HN       LYS  13  -3.474   1.587   2.565
   89    HA   LYS  13           HA       LYS  13  -4.108   0.051   4.106
   90    HB2  LYS  13           HB2      LYS  13  -6.840   0.818   3.074
   91    HB3  LYS  13           HB1      LYS  13  -6.571  -0.163   4.507
   92    HG2  LYS  13           HG2      LYS  13  -5.416   1.667   5.585
   93    HG3  LYS  13           HG1      LYS  13  -5.569   2.651   4.129
   94    HD2  LYS  13           HD2      LYS  13  -7.987   2.634   4.350
   95    HD3  LYS  13           HD1      LYS  13  -7.866   1.572   5.753
   96    HE2  LYS  13           HE2      LYS  13  -6.684   3.292   6.985
   97    HE3  LYS  13           HE1      LYS  13  -6.712   4.350   5.577
   98    HZ1  LYS  13           HZ1      LYS  13  -9.098   4.451   5.708
   99    HZ2  LYS  13           HZ2      LYS  13  -8.442   4.898   7.199
  100    HZ3  LYS  13           HZ3      LYS  13  -9.123   3.363   7.002
  101    H    LYS  14           HN       LYS  14  -3.268  -0.982   1.695
  102    HA   LYS  14           HA       LYS  14  -3.457  -2.673   0.157
  103    HB2  LYS  14           HB2      LYS  14  -3.241  -4.893   1.293
  104    HB3  LYS  14           HB1      LYS  14  -2.113  -3.667   1.834
  105    HG2  LYS  14           HG2      LYS  14  -4.637  -4.190   3.352
  106    HG3  LYS  14           HG1      LYS  14  -3.230  -5.228   3.558
  107    HD2  LYS  14           HD2      LYS  14  -3.261  -2.235   3.955
  108    HD3  LYS  14           HD1      LYS  14  -3.373  -3.431   5.245
  109    HE2  LYS  14           HE2      LYS  14  -1.060  -3.068   3.345
  110    HE3  LYS  14           HE1      LYS  14  -1.101  -2.583   5.036
  111    HZ1  LYS  14           HZ1      LYS  14  -1.326  -5.375   4.054
  112    HZ2  LYS  14           HZ2      LYS  14  -1.316  -4.890   5.673
  113    HZ3  LYS  14           HZ3      LYS  14   0.063  -4.680   4.719
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1  -0.796  -3.410  -4.941
    2    H2   HIS   1           HT2      HIS   1   0.540  -4.436  -4.847
    3    H3   HIS   1           HT3      HIS   1   0.505  -3.196  -5.998
    4    HA   HIS   1           HA       HIS   1   0.588  -2.844  -3.066
    5    HB2  HIS   1           HB2      HIS   1   2.672  -2.735  -5.206
    6    HB3  HIS   1           HB1      HIS   1   2.813  -1.649  -3.832
    7    HD1  HIS   1           HD1      HIS   1   3.936  -2.573  -1.821
    8    HD2  HIS   1           HD2      HIS   1   2.657  -5.571  -4.392
    9    HE1  HIS   1           HE1      HIS   1   4.778  -4.714  -0.815
   10    HE2  HIS   1           HE2      HIS   1   4.159  -6.492  -2.501
   11    H    GLN   2           HN       GLN   2  -1.076  -1.358  -2.935
   12    HA   GLN   2           HA       GLN   2  -1.124   0.912  -4.716
   13    HB2  GLN   2           HB2      GLN   2  -2.876  -0.019  -2.470
   14    HB3  GLN   2           HB1      GLN   2  -3.050   1.601  -3.133
   15    HG2  GLN   2           HG2      GLN   2  -3.291  -0.971  -4.678
   16    HG3  GLN   2           HG1      GLN   2  -4.628   0.046  -4.140
   17   HE21  GLN   2          HE21      GLN   2  -2.019  -0.302  -6.401
   18   HE22  GLN   2          HE22      GLN   2  -2.471   1.006  -7.443
   19    H    VAL   3           HN       VAL   3   0.101   2.581  -4.455
   20    HA   VAL   3           HA       VAL   3   1.362   4.249  -3.558
   21    HB   VAL   3           HB       VAL   3  -0.831   4.467  -1.505
   22   HG11  VAL   3          HG11      VAL   3   0.844   6.531  -2.931
   23   HG12  VAL   3          HG12      VAL   3   1.020   6.027  -1.252
   24   HG13  VAL   3          HG13      VAL   3  -0.436   6.875  -1.770
   25   HG21  VAL   3          HG21      VAL   3  -0.916   5.353  -4.388
   26   HG22  VAL   3          HG22      VAL   3  -2.114   5.750  -3.157
   27   HG23  VAL   3          HG23      VAL   3  -1.889   4.075  -3.660
   28    HA   PRO   4           HA       PRO   4   2.888   1.913   0.201
   29    HB2  PRO   4           HB2      PRO   4   4.951   0.623  -1.323
   30    HB3  PRO   4           HB1      PRO   4   3.549  -0.116  -0.543
   31    HG2  PRO   4           HG2      PRO   4   3.880  -0.026  -3.251
   32    HG3  PRO   4           HG1      PRO   4   2.294  -0.063  -2.452
   33    HD2  PRO   4           HD2      PRO   4   3.824   2.318  -3.484
   34    HD3  PRO   4           HD1      PRO   4   2.116   1.880  -3.752
   35    H    SER   5           HN       SER   5   4.666   2.410   1.445
   36    HA   SER   5           HA       SER   5   6.697   4.151   0.234
   37    HB2  SER   5           HB2      SER   5   6.051   3.708   3.162
   38    HB3  SER   5           HB1      SER   5   7.216   4.866   2.522
   39    HG   SER   5           HG       SER   5   4.832   5.226   1.331
   40    H    GLY   6           HN       GLY   6   6.352   1.152   0.263
   41    HA2  GLY   6           HA2      GLY   6   8.997   0.340   0.315
   42    HA3  GLY   6           HA1      GLY   6   8.340   0.001   1.911
   43    HA   PRO   7           HA       PRO   7   7.285  -3.645  -0.649
   44    HB2  PRO   7           HB2      PRO   7   7.831  -5.529   1.173
   45    HB3  PRO   7           HB1      PRO   7   9.115  -4.712   0.274
   46    HG2  PRO   7           HG2      PRO   7   8.157  -4.236   3.065
   47    HG3  PRO   7           HG1      PRO   7   9.816  -4.261   2.442
   48    HD2  PRO   7           HD2      PRO   7   8.362  -1.968   2.915
   49    HD3  PRO   7           HD1      PRO   7   9.720  -2.077   1.779
   50    H    ASN   8           HN       ASN   8   5.370  -1.978   0.913
   51    HA   ASN   8           HA       ASN   8   3.277  -3.929   1.043
   52    HB2  ASN   8           HB2      ASN   8   4.297  -4.261   3.239
   53    HB3  ASN   8           HB1      ASN   8   4.154  -2.540   3.587
   54   HD21  ASN   8          HD21      ASN   8   2.467  -5.556   3.265
   55   HD22  ASN   8          HD22      ASN   8   0.991  -5.041   4.006
   56    HA   PRO   9           HA       PRO   9   1.225  -0.291  -0.390
   57    HB2  PRO   9           HB2      PRO   9  -1.311  -1.388   0.581
   58    HB3  PRO   9           HB1      PRO   9  -0.793  -1.065  -1.072
   59    HG2  PRO   9           HG2      PRO   9  -1.066  -3.572  -0.067
   60    HG3  PRO   9           HG1      PRO   9   0.079  -3.158  -1.347
   61    HD2  PRO   9           HD2      PRO   9   0.567  -3.675   1.536
   62    HD3  PRO   9           HD1      PRO   9   1.593  -4.021   0.132
   63    H    LEU  10           HN       LEU  10   1.195   1.597   0.617
   64    HA   LEU  10           HA       LEU  10   0.896   1.678   3.475
   65    HB2  LEU  10           HB2      LEU  10   2.573   3.076   2.354
   66    HB3  LEU  10           HB1      LEU  10   1.302   3.922   1.495
   67    HG   LEU  10           HG       LEU  10   0.423   4.682   3.730
   68   HD11  LEU  10          HD11      LEU  10   1.957   4.604   5.630
   69   HD12  LEU  10          HD12      LEU  10   3.070   3.609   4.690
   70   HD13  LEU  10          HD13      LEU  10   1.478   2.986   5.119
   71   HD21  LEU  10          HD21      LEU  10   1.717   6.156   2.300
   72   HD22  LEU  10          HD22      LEU  10   3.217   5.517   2.971
   73   HD23  LEU  10          HD23      LEU  10   2.113   6.432   3.996
   74    H    HIS  11           HN       HIS  11  -1.165   1.341   4.116
   75    HA   HIS  11           HA       HIS  11  -3.363   1.719   4.522
   76    HB2  HIS  11           HB2      HIS  11  -2.623   4.433   3.422
   77    HB3  HIS  11           HB1      HIS  11  -4.237   4.064   4.015
   78    HD1  HIS  11           HD1      HIS  11  -4.602   4.645   6.380
   79    HD2  HIS  11           HD2      HIS  11  -0.592   3.882   5.588
   80    HE1  HIS  11           HE1      HIS  11  -3.390   5.079   8.540
   81    HE2  HIS  11           HE2      HIS  11  -1.000   4.445   8.080
   82    H    ASN  12           HN       ASN  12  -5.183   3.327   2.915
   83    HA   ASN  12           HA       ASN  12  -6.546   3.186   1.112
   84    HB2  ASN  12           HB2      ASN  12  -4.426   3.416  -0.223
   85    HB3  ASN  12           HB1      ASN  12  -4.329   1.663  -0.284
   86   HD21  ASN  12          HD21      ASN  12  -5.684   0.529  -1.668
   87   HD22  ASN  12          HD22      ASN  12  -6.682   1.317  -2.843
   88    H    LYS  13           HN       LYS  13  -5.656   0.769   3.028
   89    HA   LYS  13           HA       LYS  13  -6.329  -1.353   3.481
   90    HB2  LYS  13           HB2      LYS  13  -8.573  -0.223   3.292
   91    HB3  LYS  13           HB1      LYS  13  -8.640  -0.754   1.619
   92    HG2  LYS  13           HG2      LYS  13  -8.533  -3.095   2.388
   93    HG3  LYS  13           HG1      LYS  13  -8.560  -2.518   4.056
   94    HD2  LYS  13           HD2      LYS  13 -10.727  -1.492   3.690
   95    HD3  LYS  13           HD1      LYS  13 -10.704  -2.005   2.001
   96    HE2  LYS  13           HE2      LYS  13 -10.687  -4.338   2.703
   97    HE3  LYS  13           HE1      LYS  13 -10.656  -3.839   4.392
   98    HZ1  LYS  13           HZ1      LYS  13 -12.846  -3.270   2.471
   99    HZ2  LYS  13           HZ2      LYS  13 -12.819  -2.815   4.097
  100    HZ3  LYS  13           HZ3      LYS  13 -12.885  -4.452   3.679
  101    H    LYS  14           HN       LYS  14  -4.421  -1.026   1.564
  102    HA   LYS  14           HA       LYS  14  -3.435  -1.740  -0.345
  103    HB2  LYS  14           HB2      LYS  14  -3.271  -4.220  -0.500
  104    HB3  LYS  14           HB1      LYS  14  -2.912  -3.576   1.091
  105    HG2  LYS  14           HG2      LYS  14  -5.101  -4.273   1.885
  106    HG3  LYS  14           HG1      LYS  14  -5.512  -4.866   0.277
  107    HD2  LYS  14           HD2      LYS  14  -4.847  -6.722   1.656
  108    HD3  LYS  14           HD1      LYS  14  -3.619  -6.450   0.419
  109    HE2  LYS  14           HE2      LYS  14  -2.269  -5.212   2.072
  110    HE3  LYS  14           HE1      LYS  14  -3.483  -5.565   3.300
  111    HZ1  LYS  14           HZ1      LYS  14  -1.929  -7.605   1.803
  112    HZ2  LYS  14           HZ2      LYS  14  -3.037  -7.907   3.044
  113    HZ3  LYS  14           HZ3      LYS  14  -1.594  -7.094   3.380
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1  -1.503  -3.010  -4.282
    2    H2   HIS   1           HT2      HIS   1  -0.334  -4.224  -4.172
    3    H3   HIS   1           HT3      HIS   1  -0.413  -3.251  -5.551
    4    HA   HIS   1           HA       HIS   1   0.248  -2.300  -2.827
    5    HB2  HIS   1           HB2      HIS   1   1.949  -3.079  -5.175
    6    HB3  HIS   1           HB1      HIS   1   2.498  -1.809  -4.088
    7    HD1  HIS   1           HD1      HIS   1   4.117  -2.741  -2.477
    8    HD2  HIS   1           HD2      HIS   1   1.099  -5.461  -3.354
    9    HE1  HIS   1           HE1      HIS   1   4.535  -4.720  -0.976
   10    HE2  HIS   1           HE2      HIS   1   2.860  -6.447  -1.740
   11    H    GLN   2           HN       GLN   2  -1.290  -0.677  -3.042
   12    HA   GLN   2           HA       GLN   2  -1.659   0.950  -5.290
   13    HB2  GLN   2           HB2      GLN   2  -3.317   0.603  -3.502
   14    HB3  GLN   2           HB1      GLN   2  -2.308   1.521  -2.396
   15    HG2  GLN   2           HG2      GLN   2  -4.122   2.889  -3.203
   16    HG3  GLN   2           HG1      GLN   2  -2.588   3.504  -3.817
   17   HE21  GLN   2          HE21      GLN   2  -5.534   1.838  -4.615
   18   HE22  GLN   2          HE22      GLN   2  -5.412   2.027  -6.331
   19    H    VAL   3           HN       VAL   3  -0.636   2.327  -2.184
   20    HA   VAL   3           HA       VAL   3   1.388   3.901  -3.610
   21    HB   VAL   3           HB       VAL   3   0.674   5.838  -2.053
   22   HG11  VAL   3          HG11      VAL   3  -1.086   4.973  -4.348
   23   HG12  VAL   3          HG12      VAL   3   0.411   5.895  -4.472
   24   HG13  VAL   3          HG13      VAL   3  -0.998   6.605  -3.686
   25   HG21  VAL   3          HG21      VAL   3  -1.840   4.164  -2.028
   26   HG22  VAL   3          HG22      VAL   3  -1.725   5.836  -1.482
   27   HG23  VAL   3          HG23      VAL   3  -0.841   4.568  -0.632
   28    HA   PRO   4           HA       PRO   4   3.029   2.220   0.390
   29    HB2  PRO   4           HB2      PRO   4   4.879   0.569  -1.028
   30    HB3  PRO   4           HB1      PRO   4   3.465   0.060  -0.105
   31    HG2  PRO   4           HG2      PRO   4   3.710  -0.205  -2.831
   32    HG3  PRO   4           HG1      PRO   4   2.164  -0.123  -1.971
   33    HD2  PRO   4           HD2      PRO   4   3.649   2.056  -3.402
   34    HD3  PRO   4           HD1      PRO   4   1.910   1.671  -3.427
   35    H    SER   5           HN       SER   5   4.955   2.661   1.416
   36    HA   SER   5           HA       SER   5   7.073   3.958  -0.165
   37    HB2  SER   5           HB2      SER   5   5.995   5.363   1.638
   38    HB3  SER   5           HB1      SER   5   6.574   4.195   2.822
   39    HG   SER   5           HG       SER   5   8.156   5.796   1.084
   40    H    GLY   6           HN       GLY   6   6.307   1.127   0.491
   41    HA2  GLY   6           HA2      GLY   6   8.902   0.037   0.923
   42    HA3  GLY   6           HA1      GLY   6   7.881  -0.139   2.344
   43    HA   PRO   7           HA       PRO   7   7.010  -3.698  -0.517
   44    HB2  PRO   7           HB2      PRO   7   7.350  -5.678   1.263
   45    HB3  PRO   7           HB1      PRO   7   8.719  -4.921   0.439
   46    HG2  PRO   7           HG2      PRO   7   7.644  -4.396   3.191
   47    HG3  PRO   7           HG1      PRO   7   9.328  -4.615   2.677
   48    HD2  PRO   7           HD2      PRO   7   8.224  -2.168   3.085
   49    HD3  PRO   7           HD1      PRO   7   9.497  -2.458   1.886
   50    H    ASN   8           HN       ASN   8   5.078  -2.001   0.951
   51    HA   ASN   8           HA       ASN   8   2.862  -3.767   0.840
   52    HB2  ASN   8           HB2      ASN   8   3.611  -4.530   2.996
   53    HB3  ASN   8           HB1      ASN   8   3.788  -2.878   3.581
   54   HD21  ASN   8          HD21      ASN   8   1.997  -1.767   4.280
   55   HD22  ASN   8          HD22      ASN   8   0.449  -2.505   4.487
   56    HA   PRO   9           HA       PRO   9   1.121   0.127  -0.288
   57    HB2  PRO   9           HB2      PRO   9  -1.520  -0.520   0.346
   58    HB3  PRO   9           HB1      PRO   9  -0.732  -0.791  -1.210
   59    HG2  PRO   9           HG2      PRO   9  -1.225  -2.688   1.030
   60    HG3  PRO   9           HG1      PRO   9  -1.212  -2.987  -0.716
   61    HD2  PRO   9           HD2      PRO   9   0.820  -3.742   0.878
   62    HD3  PRO   9           HD1      PRO   9   1.091  -3.195  -0.789
   63    H    LEU  10           HN       LEU  10   1.581   1.737   1.040
   64    HA   LEU  10           HA       LEU  10   0.909   1.704   3.819
   65    HB2  LEU  10           HB2      LEU  10   2.957   2.785   2.995
   66    HB3  LEU  10           HB1      LEU  10   1.993   3.932   2.089
   67    HG   LEU  10           HG       LEU  10   1.082   4.816   4.212
   68   HD11  LEU  10          HD11      LEU  10   2.156   4.184   6.324
   69   HD12  LEU  10          HD12      LEU  10   3.056   2.924   5.481
   70   HD13  LEU  10          HD13      LEU  10   1.299   2.830   5.590
   71   HD21  LEU  10          HD21      LEU  10   3.123   5.956   4.928
   72   HD22  LEU  10          HD22      LEU  10   3.015   5.873   3.169
   73   HD23  LEU  10          HD23      LEU  10   4.092   4.780   4.039
   74    H    HIS  11           HN       HIS  11  -1.222   1.786   4.219
   75    HA   HIS  11           HA       HIS  11  -3.321   2.586   4.449
   76    HB2  HIS  11           HB2      HIS  11  -2.235   5.066   3.102
   77    HB3  HIS  11           HB1      HIS  11  -3.866   4.925   3.750
   78    HD1  HIS  11           HD1      HIS  11  -0.753   6.279   4.654
   79    HD2  HIS  11           HD2      HIS  11  -3.594   4.028   6.683
   80    HE1  HIS  11           HE1      HIS  11  -0.299   6.664   7.097
   81    HE2  HIS  11           HE2      HIS  11  -2.036   5.303   8.308
   82    H    ASN  12           HN       ASN  12  -5.275   3.046   3.222
   83    HA   ASN  12           HA       ASN  12  -6.730   2.584   1.551
   84    HB2  ASN  12           HB2      ASN  12  -5.166   4.019   0.147
   85    HB3  ASN  12           HB1      ASN  12  -4.423   2.523  -0.402
   86   HD21  ASN  12          HD21      ASN  12  -7.851   2.960   0.245
   87   HD22  ASN  12          HD22      ASN  12  -8.369   2.763  -1.392
   88    H    LYS  13           HN       LYS  13  -4.200   0.678   2.474
   89    HA   LYS  13           HA       LYS  13  -3.963  -1.548   2.783
   90    HB2  LYS  13           HB2      LYS  13  -6.829  -1.773   1.860
   91    HB3  LYS  13           HB1      LYS  13  -5.936  -2.932   2.831
   92    HG2  LYS  13           HG2      LYS  13  -6.725  -0.154   3.674
   93    HG3  LYS  13           HG1      LYS  13  -7.480  -1.658   4.195
   94    HD2  LYS  13           HD2      LYS  13  -5.351  -2.347   5.211
   95    HD3  LYS  13           HD1      LYS  13  -4.636  -0.815   4.708
   96    HE2  LYS  13           HE2      LYS  13  -5.297  -0.694   7.035
   97    HE3  LYS  13           HE1      LYS  13  -6.292   0.387   6.060
   98    HZ1  LYS  13           HZ1      LYS  13  -8.038  -1.305   6.068
   99    HZ2  LYS  13           HZ2      LYS  13  -7.642  -0.813   7.636
  100    HZ3  LYS  13           HZ3      LYS  13  -7.082  -2.295   7.052
  101    H    LYS  14           HN       LYS  14  -4.981  -3.765   1.445
  102    HA   LYS  14           HA       LYS  14  -3.846  -3.370  -1.227
  103    HB2  LYS  14           HB2      LYS  14  -3.167  -5.743  -1.194
  104    HB3  LYS  14           HB1      LYS  14  -2.393  -4.805   0.068
  105    HG2  LYS  14           HG2      LYS  14  -4.852  -6.405   0.653
  106    HG3  LYS  14           HG1      LYS  14  -3.265  -7.168   0.596
  107    HD2  LYS  14           HD2      LYS  14  -2.466  -5.586   2.296
  108    HD3  LYS  14           HD1      LYS  14  -4.080  -4.880   2.383
  109    HE2  LYS  14           HE2      LYS  14  -4.981  -7.046   3.091
  110    HE3  LYS  14           HE1      LYS  14  -3.365  -7.742   3.009
  111    HZ1  LYS  14           HZ1      LYS  14  -3.937  -7.157   5.268
  112    HZ2  LYS  14           HZ2      LYS  14  -4.224  -5.553   4.818
  113    HZ3  LYS  14           HZ3      LYS  14  -2.660  -6.186   4.730
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1  -1.131  -2.762  -4.859
    2    H2   HIS   1           HT2      HIS   1   0.117  -3.894  -4.810
    3    H3   HIS   1           HT3      HIS   1   0.146  -2.654  -5.958
    4    HA   HIS   1           HA       HIS   1   0.343  -2.302  -3.025
    5    HB2  HIS   1           HB2      HIS   1   2.383  -2.310  -5.235
    6    HB3  HIS   1           HB1      HIS   1   2.648  -1.332  -3.801
    7    HD1  HIS   1           HD1      HIS   1   4.085  -2.466  -2.171
    8    HD2  HIS   1           HD2      HIS   1   1.797  -5.186  -4.327
    9    HE1  HIS   1           HE1      HIS   1   4.701  -4.726  -1.263
   10    HE2  HIS   1           HE2      HIS   1   3.453  -6.362  -2.723
   11    H    GLN   2           HN       GLN   2  -1.409  -0.775  -3.175
   12    HA   GLN   2           HA       GLN   2  -1.141   1.500  -4.910
   13    HB2  GLN   2           HB2      GLN   2  -3.049   0.932  -2.643
   14    HB3  GLN   2           HB1      GLN   2  -3.133   2.357  -3.672
   15    HG2  GLN   2           HG2      GLN   2  -3.366   0.819  -5.629
   16    HG3  GLN   2           HG1      GLN   2  -3.514  -0.510  -4.482
   17   HE21  GLN   2          HE21      GLN   2  -5.006   2.344  -5.769
   18   HE22  GLN   2          HE22      GLN   2  -6.583   2.064  -5.112
   19    H    VAL   3           HN       VAL   3   0.127   3.112  -4.590
   20    HA   VAL   3           HA       VAL   3   1.581   4.587  -3.625
   21    HB   VAL   3           HB       VAL   3  -0.667   5.153  -1.711
   22   HG11  VAL   3          HG11      VAL   3   1.369   6.467  -1.443
   23   HG12  VAL   3          HG12      VAL   3   0.047   7.474  -2.032
   24   HG13  VAL   3          HG13      VAL   3   1.305   6.933  -3.143
   25   HG21  VAL   3          HG21      VAL   3  -1.676   4.800  -3.901
   26   HG22  VAL   3          HG22      VAL   3  -0.524   5.923  -4.624
   27   HG23  VAL   3          HG23      VAL   3  -1.715   6.508  -3.463
   28    HA   PRO   4           HA       PRO   4   2.818   2.465   0.266
   29    HB2  PRO   4           HB2      PRO   4   4.758   0.830  -0.962
   30    HB3  PRO   4           HB1      PRO   4   3.179   0.318  -0.363
   31    HG2  PRO   4           HG2      PRO   4   3.972   0.315  -3.037
   32    HG3  PRO   4           HG1      PRO   4   2.301   0.231  -2.452
   33    HD2  PRO   4           HD2      PRO   4   3.853   2.613  -3.411
   34    HD3  PRO   4           HD1      PRO   4   2.154   2.173  -3.717
   35    H    SER   5           HN       SER   5   4.993   2.419   1.254
   36    HA   SER   5           HA       SER   5   7.007   4.013  -0.171
   37    HB2  SER   5           HB2      SER   5   5.813   5.342   1.629
   38    HB3  SER   5           HB1      SER   5   6.466   4.204   2.807
   39    HG   SER   5           HG       SER   5   8.275   5.244   2.733
   40    H    GLY   6           HN       GLY   6   6.572   1.200   0.029
   41    HA2  GLY   6           HA2      GLY   6   8.931   0.007   0.363
   42    HA3  GLY   6           HA1      GLY   6   8.381   0.149   2.029
   43    HA   PRO   7           HA       PRO   7   6.796  -3.905   0.410
   44    HB2  PRO   7           HB2      PRO   7   6.842  -5.079   2.895
   45    HB3  PRO   7           HB1      PRO   7   8.198  -5.097   1.764
   46    HG2  PRO   7           HG2      PRO   7   7.719  -3.312   4.115
   47    HG3  PRO   7           HG1      PRO   7   9.223  -4.084   3.581
   48    HD2  PRO   7           HD2      PRO   7   8.722  -1.492   3.093
   49    HD3  PRO   7           HD1      PRO   7   9.593  -2.507   1.925
   50    H    ASN   8           HN       ASN   8   4.754  -3.571  -0.010
   51    HA   ASN   8           HA       ASN   8   2.563  -4.166   0.300
   52    HB2  ASN   8           HB2      ASN   8   3.031  -5.333   2.381
   53    HB3  ASN   8           HB1      ASN   8   3.134  -3.809   3.253
   54   HD21  ASN   8          HD21      ASN   8   1.023  -6.136   1.781
   55   HD22  ASN   8          HD22      ASN   8  -0.446  -5.531   2.464
   56    HA   PRO   9           HA       PRO   9   1.116  -0.114  -0.512
   57    HB2  PRO   9           HB2      PRO   9  -1.540  -0.614   0.342
   58    HB3  PRO   9           HB1      PRO   9  -0.919  -0.708  -1.308
   59    HG2  PRO   9           HG2      PRO   9  -1.367  -2.870   0.674
   60    HG3  PRO   9           HG1      PRO   9  -1.470  -2.926  -1.093
   61    HD2  PRO   9           HD2      PRO   9   0.590  -4.023   0.218
   62    HD3  PRO   9           HD1      PRO   9   0.831  -3.196  -1.336
   63    H    LEU  10           HN       LEU  10   1.372   1.625   0.739
   64    HA   LEU  10           HA       LEU  10   1.731   1.140   3.500
   65    HB2  LEU  10           HB2      LEU  10   3.180   2.673   2.235
   66    HB3  LEU  10           HB1      LEU  10   1.823   3.762   2.012
   67    HG   LEU  10           HG       LEU  10   1.731   4.033   4.505
   68   HD11  LEU  10          HD11      LEU  10   2.869   1.986   5.141
   69   HD12  LEU  10          HD12      LEU  10   3.707   3.394   5.796
   70   HD13  LEU  10          HD13      LEU  10   4.356   2.559   4.385
   71   HD21  LEU  10          HD21      LEU  10   2.780   5.704   3.085
   72   HD22  LEU  10          HD22      LEU  10   4.300   4.813   3.136
   73   HD23  LEU  10          HD23      LEU  10   3.656   5.542   4.607
   74    H    HIS  11           HN       HIS  11  -0.828   2.103   1.641
   75    HA   HIS  11           HA       HIS  11  -2.645   2.271   3.798
   76    HB2  HIS  11           HB2      HIS  11  -3.441   4.619   3.351
   77    HB3  HIS  11           HB1      HIS  11  -1.880   4.509   4.149
   78    HD1  HIS  11           HD1      HIS  11  -0.099   5.905   3.179
   79    HD2  HIS  11           HD2      HIS  11  -3.129   5.155   0.438
   80    HE1  HIS  11           HE1      HIS  11   0.478   7.267   1.146
   81    HE2  HIS  11           HE2      HIS  11  -1.481   6.961  -0.404
   82    H    ASN  12           HN       ASN  12  -4.830   3.292   2.828
   83    HA   ASN  12           HA       ASN  12  -6.586   2.891   1.464
   84    HB2  ASN  12           HB2      ASN  12  -4.971   3.964  -0.257
   85    HB3  ASN  12           HB1      ASN  12  -4.721   2.321  -0.835
   86   HD21  ASN  12          HD21      ASN  12  -6.347   1.304  -1.977
   87   HD22  ASN  12          HD22      ASN  12  -7.765   2.126  -2.521
   88    H    LYS  13           HN       LYS  13  -5.001   0.836   2.878
   89    HA   LYS  13           HA       LYS  13  -5.164  -1.366   3.351
   90    HB2  LYS  13           HB2      LYS  13  -7.520  -1.228   1.469
   91    HB3  LYS  13           HB1      LYS  13  -7.160  -2.586   2.524
   92    HG2  LYS  13           HG2      LYS  13  -7.371  -1.067   4.469
   93    HG3  LYS  13           HG1      LYS  13  -7.867   0.217   3.364
   94    HD2  LYS  13           HD2      LYS  13  -9.758  -1.176   2.638
   95    HD3  LYS  13           HD1      LYS  13  -9.264  -2.419   3.788
   96    HE2  LYS  13           HE2      LYS  13  -9.538  -0.748   5.611
   97    HE3  LYS  13           HE1      LYS  13 -10.181   0.380   4.421
   98    HZ1  LYS  13           HZ1      LYS  13 -11.940  -1.251   3.943
   99    HZ2  LYS  13           HZ2      LYS  13 -11.974  -0.715   5.546
  100    HZ3  LYS  13           HZ3      LYS  13 -11.348  -2.243   5.180
  101    H    LYS  14           HN       LYS  14  -5.746  -3.617   1.925
  102    HA   LYS  14           HA       LYS  14  -4.068  -3.473  -0.476
  103    HB2  LYS  14           HB2      LYS  14  -3.181  -5.781   0.208
  104    HB3  LYS  14           HB1      LYS  14  -2.538  -4.383   1.048
  105    HG2  LYS  14           HG2      LYS  14  -2.873  -5.958   2.722
  106    HG3  LYS  14           HG1      LYS  14  -4.267  -4.889   2.857
  107    HD2  LYS  14           HD2      LYS  14  -5.609  -6.506   1.591
  108    HD3  LYS  14           HD1      LYS  14  -4.207  -7.569   1.480
  109    HE2  LYS  14           HE2      LYS  14  -5.697  -8.291   3.265
  110    HE3  LYS  14           HE1      LYS  14  -4.149  -7.754   3.917
  111    HZ1  LYS  14           HZ1      LYS  14  -6.644  -6.142   3.853
  112    HZ2  LYS  14           HZ2      LYS  14  -5.164  -5.642   4.498
  113    HZ3  LYS  14           HZ3      LYS  14  -6.010  -6.916   5.216
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1   0.598  -3.793  -5.388
    2    H2   HIS   1           HT2      HIS   1   0.812  -2.439  -6.375
    3    H3   HIS   1           HT3      HIS   1  -0.654  -2.667  -5.558
    4    HA   HIS   1           HA       HIS   1   0.402  -2.367  -3.448
    5    HB2  HIS   1           HB2      HIS   1   2.834  -2.519  -5.132
    6    HB3  HIS   1           HB1      HIS   1   2.875  -1.344  -3.829
    7    HD1  HIS   1           HD1      HIS   1   4.568  -2.597  -2.400
    8    HD2  HIS   1           HD2      HIS   1   1.225  -4.878  -3.353
    9    HE1  HIS   1           HE1      HIS   1   4.669  -4.603  -0.880
   10    HE2  HIS   1           HE2      HIS   1   2.579  -5.918  -1.414
   11    H    GLN   2           HN       GLN   2  -1.023  -0.703  -3.374
   12    HA   GLN   2           HA       GLN   2  -0.816   1.580  -5.081
   13    HB2  GLN   2           HB2      GLN   2  -2.979   0.753  -4.328
   14    HB3  GLN   2           HB1      GLN   2  -2.537   1.068  -2.655
   15    HG2  GLN   2           HG2      GLN   2  -2.427   3.454  -3.134
   16    HG3  GLN   2           HG1      GLN   2  -2.863   3.142  -4.811
   17   HE21  GLN   2          HE21      GLN   2  -4.194   4.713  -2.718
   18   HE22  GLN   2          HE22      GLN   2  -5.795   4.070  -2.593
   19    H    VAL   3           HN       VAL   3   0.708   3.013  -4.846
   20    HA   VAL   3           HA       VAL   3   2.418   4.221  -3.919
   21    HB   VAL   3           HB       VAL   3   1.536   6.205  -2.759
   22   HG11  VAL   3          HG11      VAL   3   0.108   6.959  -4.599
   23   HG12  VAL   3          HG12      VAL   3  -0.062   5.289  -5.141
   24   HG13  VAL   3          HG13      VAL   3   1.518   6.073  -5.182
   25   HG21  VAL   3          HG21      VAL   3  -0.849   6.470  -2.377
   26   HG22  VAL   3          HG22      VAL   3  -0.228   5.122  -1.424
   27   HG23  VAL   3          HG23      VAL   3  -1.134   4.813  -2.903
   28    HA   PRO   4           HA       PRO   4   2.762   2.265   0.282
   29    HB2  PRO   4           HB2      PRO   4   4.888   0.606  -0.778
   30    HB3  PRO   4           HB1      PRO   4   3.343   0.112  -0.083
   31    HG2  PRO   4           HG2      PRO   4   3.912  -0.223  -2.698
   32    HG3  PRO   4           HG1      PRO   4   2.270   0.124  -2.111
   33    HD2  PRO   4           HD2      PRO   4   4.304   2.045  -3.233
   34    HD3  PRO   4           HD1      PRO   4   2.591   1.845  -3.682
   35    H    SER   5           HN       SER   5   5.616   2.584  -1.866
   36    HA   SER   5           HA       SER   5   7.774   3.117  -1.412
   37    HB2  SER   5           HB2      SER   5   6.595   4.811   0.813
   38    HB3  SER   5           HB1      SER   5   8.234   4.939   0.175
   39    HG   SER   5           HG       SER   5   7.397   5.629  -1.780
   40    H    GLY   6           HN       GLY   6   6.858   0.754  -0.531
   41    HA2  GLY   6           HA2      GLY   6   8.648  -0.078   1.444
   42    HA3  GLY   6           HA1      GLY   6   7.091   0.198   2.216
   43    HA   PRO   7           HA       PRO   7   7.141  -4.046   0.311
   44    HB2  PRO   7           HB2      PRO   7   6.944  -5.546   2.512
   45    HB3  PRO   7           HB1      PRO   7   8.488  -4.840   2.019
   46    HG2  PRO   7           HG2      PRO   7   6.583  -3.940   4.138
   47    HG3  PRO   7           HG1      PRO   7   8.354  -3.977   4.167
   48    HD2  PRO   7           HD2      PRO   7   6.815  -1.730   3.643
   49    HD3  PRO   7           HD1      PRO   7   8.515  -1.929   3.183
   50    H    ASN   8           HN       ASN   8   4.876  -2.111   1.508
   51    HA   ASN   8           HA       ASN   8   2.740  -3.760   0.599
   52    HB2  ASN   8           HB2      ASN   8   1.457  -3.859   2.695
   53    HB3  ASN   8           HB1      ASN   8   2.985  -4.724   2.837
   54   HD21  ASN   8          HD21      ASN   8   4.560  -3.950   4.218
   55   HD22  ASN   8          HD22      ASN   8   4.263  -2.693   5.368
   56    HA   PRO   9           HA       PRO   9   1.214   0.239  -0.352
   57    HB2  PRO   9           HB2      PRO   9  -1.485  -0.218  -0.344
   58    HB3  PRO   9           HB1      PRO   9  -0.408  -0.691  -1.663
   59    HG2  PRO   9           HG2      PRO   9  -1.487  -2.335   0.586
   60    HG3  PRO   9           HG1      PRO   9  -1.312  -2.761  -1.125
   61    HD2  PRO   9           HD2      PRO   9   0.426  -3.625   0.729
   62    HD3  PRO   9           HD1      PRO   9   0.951  -3.202  -0.916
   63    H    LEU  10           HN       LEU  10   1.287   1.860   1.006
   64    HA   LEU  10           HA       LEU  10   0.487   1.584   3.733
   65    HB2  LEU  10           HB2      LEU  10   1.811   3.673   2.104
   66    HB3  LEU  10           HB1      LEU  10   0.974   4.220   3.543
   67    HG   LEU  10           HG       LEU  10   3.338   3.866   3.999
   68   HD11  LEU  10          HD11      LEU  10   3.147   2.454   5.949
   69   HD12  LEU  10          HD12      LEU  10   1.660   1.745   5.325
   70   HD13  LEU  10          HD13      LEU  10   1.700   3.448   5.783
   71   HD21  LEU  10          HD21      LEU  10   2.831   1.005   3.197
   72   HD22  LEU  10          HD22      LEU  10   4.312   1.618   3.932
   73   HD23  LEU  10          HD23      LEU  10   3.829   2.174   2.330
   74    H    HIS  11           HN       HIS  11  -1.522   1.683   4.383
   75    HA   HIS  11           HA       HIS  11  -3.608   2.410   4.821
   76    HB2  HIS  11           HB2      HIS  11  -2.725   4.867   3.308
   77    HB3  HIS  11           HB1      HIS  11  -4.297   4.714   4.086
   78    HD1  HIS  11           HD1      HIS  11  -4.349   4.773   6.678
   79    HD2  HIS  11           HD2      HIS  11  -0.570   5.294   5.028
   80    HE1  HIS  11           HE1      HIS  11  -2.898   5.608   8.556
   81    HE2  HIS  11           HE2      HIS  11  -0.603   5.869   7.553
   82    H    ASN  12           HN       ASN  12  -5.712   2.736   3.887
   83    HA   ASN  12           HA       ASN  12  -7.372   2.243   2.426
   84    HB2  ASN  12           HB2      ASN  12  -6.142   3.808   0.878
   85    HB3  ASN  12           HB1      ASN  12  -5.315   2.408   0.210
   86   HD21  ASN  12          HD21      ASN  12  -8.681   2.411   1.212
   87   HD22  ASN  12          HD22      ASN  12  -9.336   2.227  -0.376
   88    H    LYS  13           HN       LYS  13  -5.179   0.379   3.477
   89    HA   LYS  13           HA       LYS  13  -4.811  -1.846   3.636
   90    HB2  LYS  13           HB2      LYS  13  -7.394  -2.054   2.080
   91    HB3  LYS  13           HB1      LYS  13  -6.598  -3.388   2.903
   92    HG2  LYS  13           HG2      LYS  13  -7.672  -0.910   4.234
   93    HG3  LYS  13           HG1      LYS  13  -8.465  -2.486   4.203
   94    HD2  LYS  13           HD2      LYS  13  -6.595  -3.460   5.428
   95    HD3  LYS  13           HD1      LYS  13  -5.765  -1.902   5.418
   96    HE2  LYS  13           HE2      LYS  13  -7.585  -0.921   6.720
   97    HE3  LYS  13           HE1      LYS  13  -8.425  -2.469   6.721
   98    HZ1  LYS  13           HZ1      LYS  13  -5.768  -1.949   7.941
   99    HZ2  LYS  13           HZ2      LYS  13  -6.583  -3.428   7.955
  100    HZ3  LYS  13           HZ3      LYS  13  -7.223  -2.102   8.784
  101    H    LYS  14           HN       LYS  14  -4.981  -3.993   2.048
  102    HA   LYS  14           HA       LYS  14  -3.248  -3.213  -0.185
  103    HB2  LYS  14           HB2      LYS  14  -3.631  -5.978   0.982
  104    HB3  LYS  14           HB1      LYS  14  -2.406  -5.480  -0.172
  105    HG2  LYS  14           HG2      LYS  14  -1.147  -5.456   1.707
  106    HG3  LYS  14           HG1      LYS  14  -1.770  -3.810   1.783
  107    HD2  LYS  14           HD2      LYS  14  -1.995  -4.772   3.949
  108    HD3  LYS  14           HD1      LYS  14  -3.608  -4.655   3.247
  109    HE2  LYS  14           HE2      LYS  14  -3.223  -6.809   4.391
  110    HE3  LYS  14           HE1      LYS  14  -3.574  -7.004   2.675
  111    HZ1  LYS  14           HZ1      LYS  14  -0.856  -7.041   3.870
  112    HZ2  LYS  14           HZ2      LYS  14  -1.234  -7.311   2.245
  113    HZ3  LYS  14           HZ3      LYS  14  -1.736  -8.411   3.425