*HEADER    UNKNOWN FUNCTION                        13-DEC-13   2MIF              
*TITLE     SOLUTION STRUCTURE OF THE CLAVATA-LIKE ENCODED PEPTIDE OF MELOIDOGYNE 
*TITLE    2 HAPLA - MHCLE4                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLAVATA-LIKE ENCODED PEPTIDE OF MELOIDOGYNE HAPLA - MHCLE4;
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 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 2MIF    0                                                


assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 2.000 0.500 0.500 weight 1.000 ! spec=noesy_300ms, no=14, id=11, vol=6.443289e+03
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 3.256 1.325 1.325 weight 1.000 ! spec=noesy_300ms, no=17, id=14, vol=3.464482e+02
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name  HD2)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HA) 2.224 0.618 0.618 weight 1.000 ! spec=noesy_300ms, no=20, id=17, vol=3.407611e+03
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.162 0.584 0.584 weight 1.000 ! spec=noesy_300ms, no=21, id=18, vol=4.037458e+03
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 3.089 1.193 1.193 weight 1.000 ! spec=noesy_300ms, no=26, id=23, vol=4.750121e+02
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.506 0.785 0.785 weight 1.000 ! spec=noesy_300ms, no=27, id=24, vol=1.667212e+03
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name   HA) 2.920 1.120 3.080 weight 1.000 ! spec=noesy_300ms, no=29, id=26, vol=6.650229e+02
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 3.521 1.550 1.550 weight 1.000 ! spec=noesy_300ms, no=30, id=27, vol=2.165669e+02
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name  HG2) 4.011 2.011 2.011 weight 1.000 ! spec=noesy_300ms, no=31, id=28, vol=9.902339e+01
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid    4 and name  HG2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    2 and name  HB2) 2.375 0.705 0.705 weight 1.000 ! spec=noesy_300ms, no=62, id=55, vol=2.298523e+03
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    7 and name  HG2)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 2.340 0.685 0.685 weight 1.000 ! spec=noesy_50ms, no=8, id=65, vol=1.084346e+03
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.421 0.733 0.733 weight 1.000 ! spec=noesy_50ms, no=17, id=73, vol=8.853278e+02
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2)
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HB2) 1.800 0.405 0.405 weight 1.000 ! spec=noesy_50ms, no=34, id=81, vol=5.234182e+03
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2)
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    7 and name  HB2) 2.035 0.518 0.518 weight 1.000 ! spec=noesy_50ms, no=38, id=83, vol=2.508797e+03
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    2 and name  HB2)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB1) 2.783 0.968 0.968 weight 1.000 ! spec=noesy_300ms, no=2, id=0, vol=8.883608e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HB1) 2.666 0.888 0.888 weight 1.000 ! spec=noesy_300ms, no=5, id=2, vol=1.150350e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 2.792 0.974 0.974 weight 1.000 ! spec=noesy_300ms, no=6, id=3, vol=8.716937e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HG2) 3.251 1.321 1.321 weight 1.000 ! spec=noesy_300ms, no=7, id=4, vol=3.495789e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=noesy_300ms, no=8, id=5, vol=8.804172e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name   HA) 2.185 0.385 3.815 weight 1.000 ! spec=noesy_300ms, no=10, id=7, vol=3.790895e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 3.328 1.384 1.384 weight 1.000 ! spec=noesy_300ms, no=11, id=8, vol=3.038114e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG12) 2.380 0.708 0.708 weight 1.000 ! spec=noesy_300ms, no=12, id=9, vol=2.272310e+03
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG11)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HG13)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name  HB2) 2.403 0.603 3.597 weight 1.000 ! spec=noesy_300ms, no=15, id=12, vol=2.143151e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 1.896 0.096 4.104 weight 1.000 ! spec=noesy_300ms, no=18, id=15, vol=8.873188e+03
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    4 and name  HB2) 2.966 1.099 1.099 weight 1.000 ! spec=noesy_300ms, no=19, id=16, vol=6.065661e+02
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA1) 2.658 0.883 0.883 weight 1.000 ! spec=noesy_300ms, no=22, id=19, vol=1.169513e+03
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=noesy_300ms, no=35, id=32, vol=3.709436e+02
assign (segid "    " and resid    6 and name  HA1) (segid "    " and resid    4 and name  HD2) 2.263 0.463 3.737 weight 1.000 ! spec=noesy_300ms, no=37, id=34, vol=3.073907e+03
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    4 and name  HD2) 2.267 0.467 3.733 weight 1.000 ! spec=noesy_300ms, no=38, id=35, vol=3.039038e+03
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HB2) 2.106 0.306 3.894 weight 1.000 ! spec=noesy_300ms, no=39, id=36, vol=4.735127e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB1) 3.205 1.284 1.284 weight 1.000 ! spec=noesy_300ms, no=43, id=39, vol=3.809594e+02
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB2) 2.933 1.075 1.075 weight 1.000 ! spec=noesy_300ms, no=47, id=43, vol=6.478682e+02
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 2.642 0.842 3.358 weight 1.000 ! spec=noesy_300ms, no=48, id=44, vol=1.212251e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name  HG2) 2.865 1.026 1.026 weight 1.000 ! spec=noesy_300ms, no=49, id=45, vol=7.460129e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HB) 2.452 0.751 0.751 weight 1.000 ! spec=noesy_300ms, no=50, id=46, vol=1.900855e+03
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    7 and name  HB2) 1.955 0.478 0.478 weight 1.000 ! spec=noesy_300ms, no=51, id=47, vol=7.400443e+03
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    4 and name  HB2) 2.226 0.620 0.620 weight 1.000 ! spec=noesy_300ms, no=53, id=48, vol=3.387940e+03
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HB) 3.512 1.542 1.542 weight 1.000 ! spec=noesy_300ms, no=56, id=50, vol=2.198360e+02
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD2) 3.580 1.602 1.602 weight 1.000 ! spec=noesy_300ms, no=59, id=52, vol=1.958640e+02
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 3.281 1.345 1.345 weight 1.000 ! spec=noesy_300ms, no=65, id=58, vol=3.309499e+02
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB2) 2.348 0.689 0.689 weight 1.000 ! spec=noesy_50ms, no=2, id=59, vol=1.064913e+03
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    3 and name HG22) 3.875 1.877 1.877 weight 1.000 ! spec=noesy_50ms, no=3, id=60, vol=5.265105e+01
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    3 and name HG23)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    3 and name HG22)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    3 and name HG23)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    3 and name HG22)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    3 and name HG23)
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    4 and name  HB2) 4.035 2.035 2.035 weight 1.000 ! spec=noesy_50ms, no=4, id=61, vol=4.131929e+01
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    4 and name  HB2)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HA) 3.263 1.331 1.331 weight 1.000 ! spec=noesy_50ms, no=9, id=66, vol=1.477627e+02
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB1) 3.174 1.259 1.259 weight 1.000 ! spec=noesy_50ms, no=11, id=68, vol=1.742670e+02
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 3.373 1.422 1.422 weight 1.000 ! spec=noesy_50ms, no=18, id=74, vol=1.210539e+02
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 4.084 2.085 2.085 weight 1.000 ! spec=noesy_50ms, no=19, id=75, vol=3.841394e+01
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    2 and name  HB1) 2.025 0.513 0.513 weight 1.000 ! spec=noesy_50ms, no=29, id=79, vol=2.585682e+03
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    9 and name  HG2) 1.925 0.463 0.463 weight 1.000 ! spec=noesy_50ms, no=37, id=82, vol=3.506532e+03
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG2) 2.426 0.736 0.736 weight 1.000 ! spec=noesy_50ms, no=39, id=84, vol=8.732929e+02
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HB1) 1.693 -0.107 4.307 weight 1.000 ! spec=noesy_50ms, no=40, id=85, vol=7.557438e+03
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HG2) 2.943 1.082 1.082 weight 1.000 ! spec=noesy_50ms, no=42, id=86, vol=2.744769e+02

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1  -5.807  -4.213  -3.339
    2    H2   HIS   1           HT2      HIS   1  -4.829  -3.041  -2.614
    3    H3   HIS   1           HT3      HIS   1  -5.538  -2.734  -4.112
    4    HA   HIS   1           HA       HIS   1  -7.735  -2.801  -3.128
    5    HB2  HIS   1           HB2      HIS   1  -7.039  -4.347  -1.251
    6    HB3  HIS   1           HB1      HIS   1  -6.280  -2.964  -0.477
    7    HD1  HIS   1           HD1      HIS   1  -7.738  -1.528   0.976
    8    HD2  HIS   1           HD2      HIS   1  -9.933  -4.091  -1.468
    9    HE1  HIS   1           HE1      HIS   1 -10.123  -1.336   1.745
   10    HE2  HIS   1           HE2      HIS   1 -11.449  -2.754   0.149
   11    H    GLU   2           HN       GLU   2  -5.141  -1.406  -1.113
   12    HA   GLU   2           HA       GLU   2  -6.176   1.255  -1.453
   13    HB2  GLU   2           HB2      GLU   2  -4.183  -0.154   0.177
   14    HB3  GLU   2           HB1      GLU   2  -3.715   1.466  -0.277
   15    HG2  GLU   2           HG2      GLU   2  -4.869   1.334   1.904
   16    HG3  GLU   2           HG1      GLU   2  -5.676   2.388   0.743
   17    H    VAL   3           HN       VAL   3  -3.897   2.782  -1.773
   18    HA   VAL   3           HA       VAL   3  -2.904   1.852  -4.378
   19    HB   VAL   3           HB       VAL   3  -4.450   3.675  -4.729
   20   HG11  VAL   3          HG11      VAL   3  -2.672   5.344  -2.962
   21   HG12  VAL   3          HG12      VAL   3  -4.303   4.796  -2.579
   22   HG13  VAL   3          HG13      VAL   3  -4.042   5.934  -3.902
   23   HG21  VAL   3          HG21      VAL   3  -2.998   5.189  -5.998
   24   HG22  VAL   3          HG22      VAL   3  -2.584   3.492  -6.243
   25   HG23  VAL   3          HG23      VAL   3  -1.592   4.498  -5.187
   26    HA   PRO   4           HA       PRO   4   0.940   2.590  -2.065
   27    HB2  PRO   4           HB2      PRO   4   1.669   0.060  -1.705
   28    HB3  PRO   4           HB1      PRO   4   0.363   0.747  -0.744
   29    HG2  PRO   4           HG2      PRO   4   0.235  -1.196  -2.968
   30    HG3  PRO   4           HG1      PRO   4  -0.880  -0.962  -1.612
   31    HD2  PRO   4           HD2      PRO   4  -1.077   0.074  -4.298
   32    HD3  PRO   4           HD1      PRO   4  -2.232   0.251  -2.962
   33    H    SER   5           HN       SER   5   2.747   0.227  -2.813
   34    HA   SER   5           HA       SER   5   3.324   1.038  -5.573
   35    HB2  SER   5           HB2      SER   5   5.074  -0.623  -3.747
   36    HB3  SER   5           HB1      SER   5   5.544   0.210  -5.226
   37    HG   SER   5           HG       SER   5   4.652   2.127  -3.847
   38    H    GLY   6           HN       GLY   6   1.146  -0.717  -4.736
   39    HA2  GLY   6           HA2      GLY   6   0.517  -2.531  -6.333
   40    HA3  GLY   6           HA1      GLY   6   2.034  -3.288  -5.874
   41    HA   PRO   7           HA       PRO   7   0.174  -5.650  -2.730
   42    HB2  PRO   7           HB2      PRO   7   1.851  -5.281  -0.579
   43    HB3  PRO   7           HB1      PRO   7   2.187  -6.352  -1.944
   44    HG2  PRO   7           HG2      PRO   7   3.121  -3.540  -1.468
   45    HG3  PRO   7           HG1      PRO   7   4.044  -4.942  -2.053
   46    HD2  PRO   7           HD2      PRO   7   3.166  -3.076  -3.739
   47    HD3  PRO   7           HD1      PRO   7   3.127  -4.795  -4.189
   48    H    ASN   8           HN       ASN   8   1.489  -3.193  -0.538
   49    HA   ASN   8           HA       ASN   8  -1.175  -2.312   0.219
   50    HB2  ASN   8           HB2      ASN   8  -0.722  -2.904   2.645
   51    HB3  ASN   8           HB1      ASN   8  -1.062  -4.267   1.585
   52   HD21  ASN   8          HD21      ASN   8   0.519  -5.752   1.167
   53   HD22  ASN   8          HD22      ASN   8   2.036  -5.787   1.999
   54    HA   PRO   9           HA       PRO   9   0.930   1.419   0.892
   55    HB2  PRO   9           HB2      PRO   9  -0.662   2.681   2.678
   56    HB3  PRO   9           HB1      PRO   9  -1.127   2.403   0.997
   57    HG2  PRO   9           HG2      PRO   9  -1.940   0.928   3.460
   58    HG3  PRO   9           HG1      PRO   9  -2.899   1.350   2.028
   59    HD2  PRO   9           HD2      PRO   9  -1.830  -1.134   2.486
   60    HD3  PRO   9           HD1      PRO   9  -2.210  -0.495   0.877
   61    H    SER  10           HN       SER  10   2.252  -0.517   2.358
   62    HA   SER  10           HA       SER  10   2.871   0.815   4.890
   63    HB2  SER  10           HB2      SER  10   4.052  -1.715   3.707
   64    HB3  SER  10           HB1      SER  10   4.281  -1.122   5.351
   65    HG   SER  10           HG       SER  10   2.156  -2.477   4.232
   66    H    SER  11           HN       SER  11   3.732   0.798   1.656
   67    HA   SER  11           HA       SER  11   6.438   1.819   2.144
   68    HB2  SER  11           HB2      SER  11   6.629   1.642  -0.354
   69    HB3  SER  11           HB1      SER  11   6.297   0.103   0.441
   70    HG   SER  11           HG       SER  11   4.537   1.752  -1.040
   71    H    ASN  12           HN       ASN  12   3.459   3.002   2.162
   72    HA   ASN  12           HA       ASN  12   4.240   5.586   1.050
   73    HB2  ASN  12           HB2      ASN  12   1.690   4.101   0.372
   74    HB3  ASN  12           HB1      ASN  12   1.957   5.807   0.026
   75   HD21  ASN  12          HD21      ASN  12   3.364   6.396  -1.594
   76   HD22  ASN  12          HD22      ASN  12   3.942   5.271  -2.775
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1  -6.241   4.475  -3.684
    2    H2   HIS   1           HT2      HIS   1  -7.917   4.340  -3.841
    3    H3   HIS   1           HT3      HIS   1  -7.020   3.057  -3.185
    4    HA   HIS   1           HA       HIS   1  -7.372   5.748  -1.982
    5    HB2  HIS   1           HB2      HIS   1  -8.486   3.030  -1.249
    6    HB3  HIS   1           HB1      HIS   1  -8.521   4.416  -0.167
    7    HD1  HIS   1           HD1      HIS   1 -10.294   2.881  -3.014
    8    HD2  HIS   1           HD2      HIS   1 -10.232   6.546  -1.045
    9    HE1  HIS   1           HE1      HIS   1 -12.372   4.088  -3.756
   10    HE2  HIS   1           HE2      HIS   1 -12.356   6.265  -2.490
   11    H    GLU   2           HN       GLU   2  -5.949   2.570  -1.892
   12    HA   GLU   2           HA       GLU   2  -4.362   3.041   0.436
   13    HB2  GLU   2           HB2      GLU   2  -3.185   0.923  -0.410
   14    HB3  GLU   2           HB1      GLU   2  -4.870   0.779   0.054
   15    HG2  GLU   2           HG2      GLU   2  -4.094   1.246  -2.799
   16    HG3  GLU   2           HG1      GLU   2  -4.050  -0.369  -2.100
   17    H    VAL   3           HN       VAL   3  -4.061   3.637  -2.945
   18    HA   VAL   3           HA       VAL   3  -2.303   4.194  -4.313
   19    HB   VAL   3           HB       VAL   3  -3.201   6.295  -3.494
   20   HG11  VAL   3          HG11      VAL   3  -2.825   6.043  -1.113
   21   HG12  VAL   3          HG12      VAL   3  -2.147   7.562  -1.700
   22   HG13  VAL   3          HG13      VAL   3  -1.085   6.197  -1.357
   23   HG21  VAL   3          HG21      VAL   3  -1.393   6.368  -5.104
   24   HG22  VAL   3          HG22      VAL   3  -0.207   6.379  -3.799
   25   HG23  VAL   3          HG23      VAL   3  -1.306   7.742  -4.006
   26    HA   PRO   4           HA       PRO   4   1.145   2.404  -1.837
   27    HB2  PRO   4           HB2      PRO   4   0.697  -0.163  -2.072
   28    HB3  PRO   4           HB1      PRO   4  -0.499   0.819  -1.206
   29    HG2  PRO   4           HG2      PRO   4  -0.635  -0.310  -3.962
   30    HG3  PRO   4           HG1      PRO   4  -1.924  -0.108  -2.762
   31    HD2  PRO   4           HD2      PRO   4  -1.214   1.685  -4.886
   32    HD3  PRO   4           HD1      PRO   4  -2.450   1.924  -3.633
   33    H    SER   5           HN       SER   5   2.559   0.210  -2.652
   34    HA   SER   5           HA       SER   5   3.533   0.855  -5.312
   35    HB2  SER   5           HB2      SER   5   5.128   0.268  -3.502
   36    HB3  SER   5           HB1      SER   5   4.381  -1.323  -3.373
   37    HG   SER   5           HG       SER   5   6.047  -0.277  -5.359
   38    H    GLY   6           HN       GLY   6   1.210  -1.068  -3.853
   39    HA2  GLY   6           HA2      GLY   6  -0.226  -2.226  -5.635
   40    HA3  GLY   6           HA1      GLY   6   1.255  -3.125  -5.948
   41    HA   PRO   7           HA       PRO   7   0.632  -6.008  -2.639
   42    HB2  PRO   7           HB2      PRO   7   2.658  -5.501  -0.830
   43    HB3  PRO   7           HB1      PRO   7   2.839  -6.460  -2.301
   44    HG2  PRO   7           HG2      PRO   7   3.492  -3.567  -1.835
   45    HG3  PRO   7           HG1      PRO   7   4.438  -4.807  -2.689
   46    HD2  PRO   7           HD2      PRO   7   3.016  -3.027  -4.050
   47    HD3  PRO   7           HD1      PRO   7   3.056  -4.727  -4.570
   48    H    ASN   8           HN       ASN   8   1.716  -2.979  -1.061
   49    HA   ASN   8           HA       ASN   8  -0.585  -3.078   0.729
   50    HB2  ASN   8           HB2      ASN   8   1.185  -4.509   1.752
   51    HB3  ASN   8           HB1      ASN   8   2.271  -3.126   1.742
   52   HD21  ASN   8          HD21      ASN   8   2.548  -2.981   3.902
   53   HD22  ASN   8          HD22      ASN   8   1.292  -2.568   5.016
   54    HA   PRO   9           HA       PRO   9  -0.068   1.406   0.374
   55    HB2  PRO   9           HB2      PRO   9  -1.598   1.963   2.612
   56    HB3  PRO   9           HB1      PRO   9  -2.208   1.803   0.963
   57    HG2  PRO   9           HG2      PRO   9  -2.244  -0.162   3.197
   58    HG3  PRO   9           HG1      PRO   9  -3.441   0.115   1.917
   59    HD2  PRO   9           HD2      PRO   9  -1.738  -1.981   1.888
   60    HD3  PRO   9           HD1      PRO   9  -2.312  -1.197   0.403
   61    H    SER  10           HN       SER  10   0.646   3.149   1.776
   62    HA   SER  10           HA       SER  10   2.449   4.011   2.817
   63    HB2  SER  10           HB2      SER  10   2.687   3.396   5.234
   64    HB3  SER  10           HB1      SER  10   1.050   3.839   4.766
   65    HG   SER  10           HG       SER  10   1.382   1.196   4.449
   66    H    SER  11           HN       SER  11   2.858   1.634   1.143
   67    HA   SER  11           HA       SER  11   5.534   0.961   2.128
   68    HB2  SER  11           HB2      SER  11   3.643  -1.081   0.934
   69    HB3  SER  11           HB1      SER  11   5.263  -1.380   1.563
   70    HG   SER  11           HG       SER  11   3.110  -0.375   3.121
   71    H    ASN  12           HN       ASN  12   5.707   2.793   0.508
   72    HA   ASN  12           HA       ASN  12   6.507   1.663  -2.015
   73    HB2  ASN  12           HB2      ASN  12   5.250   3.417  -3.336
   74    HB3  ASN  12           HB1      ASN  12   4.260   2.135  -2.654
   75   HD21  ASN  12          HD21      ASN  12   4.981   5.504  -2.651
   76   HD22  ASN  12          HD22      ASN  12   3.691   5.994  -1.609
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1  -7.549  -2.574  -2.698
    2    H2   HIS   1           HT2      HIS   1  -6.138  -1.785  -2.200
    3    H3   HIS   1           HT3      HIS   1  -6.980  -1.231  -3.555
    4    HA   HIS   1           HA       HIS   1  -8.850  -0.598  -2.216
    5    HB2  HIS   1           HB2      HIS   1  -7.135  -1.606   0.067
    6    HB3  HIS   1           HB1      HIS   1  -8.574  -0.621   0.282
    7    HD1  HIS   1           HD1      HIS   1 -10.868  -1.757  -0.524
    8    HD2  HIS   1           HD2      HIS   1  -7.593  -4.296  -0.169
    9    HE1  HIS   1           HE1      HIS   1 -11.819  -4.086  -0.450
   10    HE2  HIS   1           HE2      HIS   1  -9.819  -5.609  -0.294
   11    H    GLU   2           HN       GLU   2  -5.685  -0.250  -0.636
   12    HA   GLU   2           HA       GLU   2  -5.774   2.623  -0.964
   13    HB2  GLU   2           HB2      GLU   2  -4.049   0.657   0.449
   14    HB3  GLU   2           HB1      GLU   2  -3.298   2.173  -0.013
   15    HG2  GLU   2           HG2      GLU   2  -5.763   1.835   1.685
   16    HG3  GLU   2           HG1      GLU   2  -4.159   2.286   2.250
   17    H    VAL   3           HN       VAL   3  -3.805   3.713  -1.938
   18    HA   VAL   3           HA       VAL   3  -3.049   2.301  -4.410
   19    HB   VAL   3           HB       VAL   3  -2.918   5.276  -3.879
   20   HG11  VAL   3          HG11      VAL   3  -1.389   4.494  -5.614
   21   HG12  VAL   3          HG12      VAL   3  -2.692   5.459  -6.306
   22   HG13  VAL   3          HG13      VAL   3  -2.728   3.703  -6.447
   23   HG21  VAL   3          HG21      VAL   3  -5.040   3.706  -5.338
   24   HG22  VAL   3          HG22      VAL   3  -4.928   5.464  -5.268
   25   HG23  VAL   3          HG23      VAL   3  -5.234   4.542  -3.797
   26    HA   PRO   4           HA       PRO   4   0.867   2.617  -2.086
   27    HB2  PRO   4           HB2      PRO   4   1.270   0.023  -1.705
   28    HB3  PRO   4           HB1      PRO   4  -0.019   0.862  -0.836
   29    HG2  PRO   4           HG2      PRO   4  -0.208  -1.078  -3.052
   30    HG3  PRO   4           HG1      PRO   4  -1.404  -0.655  -1.817
   31    HD2  PRO   4           HD2      PRO   4  -1.154   0.357  -4.526
   32    HD3  PRO   4           HD1      PRO   4  -2.448   0.650  -3.345
   33    H    SER   5           HN       SER   5   2.621   0.318  -2.552
   34    HA   SER   5           HA       SER   5   3.694   1.000  -5.143
   35    HB2  SER   5           HB2      SER   5   5.370  -0.840  -4.418
   36    HB3  SER   5           HB1      SER   5   5.340   0.659  -3.488
   37    HG   SER   5           HG       SER   5   5.171  -1.643  -2.444
   38    H    GLY   6           HN       GLY   6   1.277  -0.909  -4.098
   39    HA2  GLY   6           HA2      GLY   6   0.284  -2.213  -6.073
   40    HA3  GLY   6           HA1      GLY   6   1.782  -3.131  -5.950
   41    HA   PRO   7           HA       PRO   7   0.262  -5.765  -2.731
   42    HB2  PRO   7           HB2      PRO   7   2.025  -5.342  -0.649
   43    HB3  PRO   7           HB1      PRO   7   2.344  -6.387  -2.036
   44    HG2  PRO   7           HG2      PRO   7   3.172  -3.533  -1.584
   45    HG3  PRO   7           HG1      PRO   7   4.130  -4.893  -2.215
   46    HD2  PRO   7           HD2      PRO   7   3.113  -3.086  -3.868
   47    HD3  PRO   7           HD1      PRO   7   3.084  -4.811  -4.300
   48    H    ASN   8           HN       ASN   8   1.594  -3.207  -0.669
   49    HA   ASN   8           HA       ASN   8  -1.065  -2.559   0.354
   50    HB2  ASN   8           HB2      ASN   8   1.193  -3.694   2.025
   51    HB3  ASN   8           HB1      ASN   8  -0.196  -2.862   2.711
   52   HD21  ASN   8          HD21      ASN   8  -2.185  -3.869   2.720
   53   HD22  ASN   8          HD22      ASN   8  -2.375  -5.552   2.384
   54    HA   PRO   9           HA       PRO   9   0.714   1.533   0.753
   55    HB2  PRO   9           HB2      PRO   9  -0.701   2.430   2.903
   56    HB3  PRO   9           HB1      PRO   9  -1.385   2.301   1.274
   57    HG2  PRO   9           HG2      PRO   9  -1.553   0.333   3.543
   58    HG3  PRO   9           HG1      PRO   9  -2.867   0.979   2.538
   59    HD2  PRO   9           HD2      PRO   9  -1.870  -1.397   1.980
   60    HD3  PRO   9           HD1      PRO   9  -2.198  -0.240   0.661
   61    H    SER  10           HN       SER  10   2.519  -0.177   1.624
   62    HA   SER  10           HA       SER  10   3.421   1.053   4.139
   63    HB2  SER  10           HB2      SER  10   4.073  -1.747   3.181
   64    HB3  SER  10           HB1      SER  10   4.559  -1.014   4.709
   65    HG   SER  10           HG       SER  10   2.279  -0.854   5.199
   66    H    SER  11           HN       SER  11   3.714   1.320   1.052
   67    HA   SER  11           HA       SER  11   5.271   1.774  -0.518
   68    HB2  SER  11           HB2      SER  11   7.231   3.182   0.354
   69    HB3  SER  11           HB1      SER  11   5.603   3.799   0.612
   70    HG   SER  11           HG       SER  11   6.565   2.195   2.645
   71    H    ASN  12           HN       ASN  12   5.467  -0.777  -0.167
   72    HA   ASN  12           HA       ASN  12   8.340  -1.321   0.099
   73    HB2  ASN  12           HB2      ASN  12   7.724  -3.678   0.578
   74    HB3  ASN  12           HB1      ASN  12   7.125  -2.552   1.784
   75   HD21  ASN  12          HD21      ASN  12   6.267  -5.254   1.026
   76   HD22  ASN  12          HD22      ASN  12   4.586  -5.127   0.651
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1  -6.440   0.590  -1.036
    2    H2   HIS   1           HT2      HIS   1  -6.744   1.061  -2.629
    3    H3   HIS   1           HT3      HIS   1  -7.914   0.199  -1.765
    4    HA   HIS   1           HA       HIS   1  -8.504   2.520  -1.914
    5    HB2  HIS   1           HB2      HIS   1  -9.190   1.257   0.074
    6    HB3  HIS   1           HB1      HIS   1  -7.666   1.645   0.863
    7    HD1  HIS   1           HD1      HIS   1  -7.709   3.636   2.343
    8    HD2  HIS   1           HD2      HIS   1 -10.797   3.702  -0.445
    9    HE1  HIS   1           HE1      HIS   1  -9.116   5.628   2.938
   10    HE2  HIS   1           HE2      HIS   1 -11.063   5.556   1.344
   11    H    GLU   2           HN       GLU   2  -5.265   1.931  -0.710
   12    HA   GLU   2           HA       GLU   2  -4.830   4.808  -0.394
   13    HB2  GLU   2           HB2      GLU   2  -4.182   3.115   1.387
   14    HB3  GLU   2           HB1      GLU   2  -2.908   2.582   0.295
   15    HG2  GLU   2           HG2      GLU   2  -2.078   4.154   1.966
   16    HG3  GLU   2           HG1      GLU   2  -1.924   4.802   0.334
   17    H    VAL   3           HN       VAL   3  -4.272   2.302  -2.607
   18    HA   VAL   3           HA       VAL   3  -2.972   1.986  -4.426
   19    HB   VAL   3           HB       VAL   3  -3.054   4.990  -4.457
   20   HG11  VAL   3          HG11      VAL   3  -2.547   3.045  -6.711
   21   HG12  VAL   3          HG12      VAL   3  -1.345   4.105  -5.976
   22   HG13  VAL   3          HG13      VAL   3  -2.694   4.795  -6.878
   23   HG21  VAL   3          HG21      VAL   3  -4.896   2.983  -5.731
   24   HG22  VAL   3          HG22      VAL   3  -4.980   4.732  -5.942
   25   HG23  VAL   3          HG23      VAL   3  -5.275   4.019  -4.356
   26    HA   PRO   4           HA       PRO   4   1.045   2.826  -2.331
   27    HB2  PRO   4           HB2      PRO   4   1.664   0.342  -1.636
   28    HB3  PRO   4           HB1      PRO   4   0.417   1.221  -0.736
   29    HG2  PRO   4           HG2      PRO   4   0.103  -0.863  -2.865
   30    HG3  PRO   4           HG1      PRO   4  -0.780  -0.679  -1.339
   31    HD2  PRO   4           HD2      PRO   4  -1.671   0.198  -3.817
   32    HD3  PRO   4           HD1      PRO   4  -2.253   0.795  -2.251
   33    H    SER   5           HN       SER   5   2.853   0.500  -2.780
   34    HA   SER   5           HA       SER   5   3.627   1.050  -5.486
   35    HB2  SER   5           HB2      SER   5   5.351  -0.746  -5.000
   36    HB3  SER   5           HB1      SER   5   5.374   0.631  -3.897
   37    HG   SER   5           HG       SER   5   4.791  -0.627  -2.308
   38    H    GLY   6           HN       GLY   6   1.459  -1.029  -4.000
   39    HA2  GLY   6           HA2      GLY   6   0.173  -2.216  -5.964
   40    HA3  GLY   6           HA1      GLY   6   1.661  -3.154  -5.983
   41    HA   PRO   7           HA       PRO   7   0.555  -5.809  -2.630
   42    HB2  PRO   7           HB2      PRO   7   2.211  -5.045  -0.525
   43    HB3  PRO   7           HB1      PRO   7   2.635  -6.180  -1.808
   44    HG2  PRO   7           HG2      PRO   7   3.255  -3.259  -1.575
   45    HG3  PRO   7           HG1      PRO   7   4.286  -4.586  -2.156
   46    HD2  PRO   7           HD2      PRO   7   3.120  -2.931  -3.875
   47    HD3  PRO   7           HD1      PRO   7   3.206  -4.673  -4.221
   48    H    ASN   8           HN       ASN   8   1.452  -2.961  -0.699
   49    HA   ASN   8           HA       ASN   8  -1.213  -2.395   0.185
   50    HB2  ASN   8           HB2      ASN   8  -0.760  -4.519   1.410
   51    HB3  ASN   8           HB1      ASN   8   0.682  -3.793   2.107
   52   HD21  ASN   8          HD21      ASN   8   0.484  -2.403   3.827
   53   HD22  ASN   8          HD22      ASN   8  -1.017  -2.111   4.635
   54    HA   PRO   9           HA       PRO   9   0.909   1.443   1.118
   55    HB2  PRO   9           HB2      PRO   9  -0.657   2.373   3.160
   56    HB3  PRO   9           HB1      PRO   9  -1.083   2.473   1.446
   57    HG2  PRO   9           HG2      PRO   9  -1.910   0.418   3.473
   58    HG3  PRO   9           HG1      PRO   9  -2.919   1.296   2.304
   59    HD2  PRO   9           HD2      PRO   9  -2.144  -1.186   1.780
   60    HD3  PRO   9           HD1      PRO   9  -2.119   0.053   0.497
   61    H    SER  10           HN       SER  10   2.249  -0.677   2.208
   62    HA   SER  10           HA       SER  10   3.123   0.481   4.770
   63    HB2  SER  10           HB2      SER  10   3.571  -2.342   3.763
   64    HB3  SER  10           HB1      SER  10   4.034  -1.709   5.342
   65    HG   SER  10           HG       SER  10   1.804  -1.391   5.776
   66    H    SER  11           HN       SER  11   3.722   0.024   1.517
   67    HA   SER  11           HA       SER  11   6.328   1.220   1.665
   68    HB2  SER  11           HB2      SER  11   6.047  -1.560   0.475
   69    HB3  SER  11           HB1      SER  11   7.485  -0.544   0.376
   70    HG   SER  11           HG       SER  11   6.847  -0.660   2.921
   71    H    ASN  12           HN       ASN  12   6.435   2.620   0.016
   72    HA   ASN  12           HA       ASN  12   4.809   2.078  -2.375
   73    HB2  ASN  12           HB2      ASN  12   3.649   3.729  -0.986
   74    HB3  ASN  12           HB1      ASN  12   5.092   4.735  -0.953
   75   HD21  ASN  12          HD21      ASN  12   5.628   5.946  -2.738
   76   HD22  ASN  12          HD22      ASN  12   4.548   6.182  -4.069
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1  -6.200  -2.482  -3.833
    2    H2   HIS   1           HT2      HIS   1  -5.551  -1.047  -4.448
    3    H3   HIS   1           HT3      HIS   1  -7.020  -1.018  -3.620
    4    HA   HIS   1           HA       HIS   1  -5.948  -1.654  -1.584
    5    HB2  HIS   1           HB2      HIS   1  -3.455  -1.608  -3.301
    6    HB3  HIS   1           HB1      HIS   1  -3.419  -1.598  -1.544
    7    HD1  HIS   1           HD1      HIS   1  -2.846  -3.872  -4.087
    8    HD2  HIS   1           HD2      HIS   1  -5.254  -4.005  -0.697
    9    HE1  HIS   1           HE1      HIS   1  -3.250  -6.311  -3.635
   10    HE2  HIS   1           HE2      HIS   1  -4.819  -6.361  -1.667
   11    H    GLU   2           HN       GLU   2  -4.310  -0.062  -0.388
   12    HA   GLU   2           HA       GLU   2  -5.486   2.511  -0.846
   13    HB2  GLU   2           HB2      GLU   2  -5.007   1.471   1.418
   14    HB3  GLU   2           HB1      GLU   2  -3.324   1.826   1.124
   15    HG2  GLU   2           HG2      GLU   2  -4.364   3.519   2.532
   16    HG3  GLU   2           HG1      GLU   2  -3.798   4.198   1.006
   17    H    VAL   3           HN       VAL   3  -4.459   2.605  -3.034
   18    HA   VAL   3           HA       VAL   3  -2.777   3.099  -4.519
   19    HB   VAL   3           HB       VAL   3  -4.000   5.157  -4.052
   20   HG11  VAL   3          HG11      VAL   3  -1.813   5.797  -2.085
   21   HG12  VAL   3          HG12      VAL   3  -3.500   5.452  -1.699
   22   HG13  VAL   3          HG13      VAL   3  -3.083   6.901  -2.615
   23   HG21  VAL   3          HG21      VAL   3  -2.310   5.177  -5.772
   24   HG22  VAL   3          HG22      VAL   3  -1.068   5.580  -4.587
   25   HG23  VAL   3          HG23      VAL   3  -2.349   6.736  -4.949
   26    HA   PRO   4           HA       PRO   4   1.033   2.448  -2.009
   27    HB2  PRO   4           HB2      PRO   4   1.200  -0.201  -1.910
   28    HB3  PRO   4           HB1      PRO   4   0.027   0.655  -0.894
   29    HG2  PRO   4           HG2      PRO   4  -0.420  -0.962  -3.341
   30    HG3  PRO   4           HG1      PRO   4  -1.495  -0.684  -1.961
   31    HD2  PRO   4           HD2      PRO   4  -1.472   0.679  -4.490
   32    HD3  PRO   4           HD1      PRO   4  -2.542   0.967  -3.103
   33    H    SER   5           HN       SER   5   2.741   0.351  -2.736
   34    HA   SER   5           HA       SER   5   3.400   1.022  -5.495
   35    HB2  SER   5           HB2      SER   5   4.906  -0.805  -3.611
   36    HB3  SER   5           HB1      SER   5   5.522  -0.005  -5.056
   37    HG   SER   5           HG       SER   5   4.838   2.004  -3.796
   38    H    GLY   6           HN       GLY   6   1.155  -0.778  -4.401
   39    HA2  GLY   6           HA2      GLY   6   0.277  -2.410  -6.100
   40    HA3  GLY   6           HA1      GLY   6   1.823  -3.223  -5.900
   41    HA   PRO   7           HA       PRO   7   0.505  -5.836  -2.685
   42    HB2  PRO   7           HB2      PRO   7   2.197  -5.228  -0.576
   43    HB3  PRO   7           HB1      PRO   7   2.601  -6.289  -1.930
   44    HG2  PRO   7           HG2      PRO   7   3.227  -3.381  -1.545
   45    HG3  PRO   7           HG1      PRO   7   4.277  -4.684  -2.149
   46    HD2  PRO   7           HD2      PRO   7   3.153  -2.983  -3.839
   47    HD3  PRO   7           HD1      PRO   7   3.216  -4.715  -4.234
   48    H    ASN   8           HN       ASN   8   1.520  -3.089  -0.670
   49    HA   ASN   8           HA       ASN   8  -1.177  -2.530   0.200
   50    HB2  ASN   8           HB2      ASN   8  -0.972  -3.260   2.448
   51    HB3  ASN   8           HB1      ASN   8  -0.355  -4.604   1.494
   52   HD21  ASN   8          HD21      ASN   8   0.333  -2.236   3.850
   53   HD22  ASN   8          HD22      ASN   8   1.983  -2.675   4.145
   54    HA   PRO   9           HA       PRO   9   0.578   1.416   0.707
   55    HB2  PRO   9           HB2      PRO   9  -0.807   2.544   2.711
   56    HB3  PRO   9           HB1      PRO   9  -1.548   2.111   1.161
   57    HG2  PRO   9           HG2      PRO   9  -1.538   0.556   3.737
   58    HG3  PRO   9           HG1      PRO   9  -2.922   0.963   2.695
   59    HD2  PRO   9           HD2      PRO   9  -1.730  -1.431   2.548
   60    HD3  PRO   9           HD1      PRO   9  -2.341  -0.604   1.099
   61    H    SER  10           HN       SER  10   2.271  -0.469   2.061
   62    HA   SER  10           HA       SER  10   3.273   1.220   4.230
   63    HB2  SER  10           HB2      SER  10   4.351  -1.400   3.149
   64    HB3  SER  10           HB1      SER  10   4.992  -0.527   4.539
   65    HG   SER  10           HG       SER  10   2.911  -0.798   5.521
   66    H    SER  11           HN       SER  11   3.685   0.421   0.928
   67    HA   SER  11           HA       SER  11   4.847   1.329  -0.778
   68    HB2  SER  11           HB2      SER  11   5.151   3.667   1.118
   69    HB3  SER  11           HB1      SER  11   5.345   3.718  -0.635
   70    HG   SER  11           HG       SER  11   3.064   3.744   0.877
   71    H    ASN  12           HN       ASN  12   6.331  -0.311   1.090
   72    HA   ASN  12           HA       ASN  12   8.985   0.911   0.848
   73    HB2  ASN  12           HB2      ASN  12   9.623  -0.853   2.630
   74    HB3  ASN  12           HB1      ASN  12   8.749   0.582   3.133
   75   HD21  ASN  12          HD21      ASN  12   7.383  -2.266   1.533
   76   HD22  ASN  12          HD22      ASN  12   6.383  -2.734   2.872
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1  -6.367  -0.929  -0.639
    2    H2   HIS   1           HT2      HIS   1  -6.983  -0.295  -2.078
    3    H3   HIS   1           HT3      HIS   1  -7.837  -1.498  -1.247
    4    HA   HIS   1           HA       HIS   1  -8.879   0.610  -0.892
    5    HB2  HIS   1           HB2      HIS   1  -8.956   0.620   1.519
    6    HB3  HIS   1           HB1      HIS   1  -8.817  -1.043   0.979
    7    HD1  HIS   1           HD1      HIS   1  -6.937  -2.395   1.950
    8    HD2  HIS   1           HD2      HIS   1  -6.491   1.680   2.641
    9    HE1  HIS   1           HE1      HIS   1  -5.001  -2.184   3.536
   10    HE2  HIS   1           HE2      HIS   1  -4.864   0.274   4.072
   11    H    GLU   2           HN       GLU   2  -5.505   0.620  -0.812
   12    HA   GLU   2           HA       GLU   2  -5.530   3.548  -0.805
   13    HB2  GLU   2           HB2      GLU   2  -4.606   2.615   1.362
   14    HB3  GLU   2           HB1      GLU   2  -3.353   1.830   0.414
   15    HG2  GLU   2           HG2      GLU   2  -2.660   3.964   1.490
   16    HG3  GLU   2           HG1      GLU   2  -2.431   3.910  -0.257
   17    H    VAL   3           HN       VAL   3  -3.667   4.397  -2.090
   18    HA   VAL   3           HA       VAL   3  -2.958   2.498  -4.212
   19    HB   VAL   3           HB       VAL   3  -2.472   5.474  -4.239
   20   HG11  VAL   3          HG11      VAL   3  -2.374   5.113  -6.676
   21   HG12  VAL   3          HG12      VAL   3  -2.577   3.382  -6.404
   22   HG13  VAL   3          HG13      VAL   3  -1.137   4.206  -5.806
   23   HG21  VAL   3          HG21      VAL   3  -4.507   5.678  -5.586
   24   HG22  VAL   3          HG22      VAL   3  -4.867   5.074  -3.968
   25   HG23  VAL   3          HG23      VAL   3  -4.844   3.963  -5.338
   26    HA   PRO   4           HA       PRO   4   1.076   2.717  -2.157
   27    HB2  PRO   4           HB2      PRO   4   1.400   0.119  -1.776
   28    HB3  PRO   4           HB1      PRO   4   0.157   0.987  -0.866
   29    HG2  PRO   4           HG2      PRO   4  -0.143  -0.890  -3.144
   30    HG3  PRO   4           HG1      PRO   4  -1.255  -0.555  -1.805
   31    HD2  PRO   4           HD2      PRO   4  -1.270   0.570  -4.456
   32    HD3  PRO   4           HD1      PRO   4  -2.396   0.893  -3.122
   33    H    SER   5           HN       SER   5   2.762   0.402  -2.782
   34    HA   SER   5           HA       SER   5   3.557   1.054  -5.480
   35    HB2  SER   5           HB2      SER   5   5.303  -0.744  -5.038
   36    HB3  SER   5           HB1      SER   5   5.343   0.637  -3.942
   37    HG   SER   5           HG       SER   5   4.603  -0.578  -2.329
   38    H    GLY   6           HN       GLY   6   1.519  -1.154  -3.926
   39    HA2  GLY   6           HA2      GLY   6   0.195  -2.293  -5.935
   40    HA3  GLY   6           HA1      GLY   6   1.688  -3.222  -5.955
   41    HA   PRO   7           HA       PRO   7   0.573  -5.888  -2.611
   42    HB2  PRO   7           HB2      PRO   7   2.245  -5.143  -0.516
   43    HB3  PRO   7           HB1      PRO   7   2.665  -6.269  -1.810
   44    HG2  PRO   7           HG2      PRO   7   3.274  -3.342  -1.570
   45    HG3  PRO   7           HG1      PRO   7   4.315  -4.665  -2.145
   46    HD2  PRO   7           HD2      PRO   7   3.145  -3.027  -3.875
   47    HD3  PRO   7           HD1      PRO   7   3.226  -4.771  -4.212
   48    H    ASN   8           HN       ASN   8   1.527  -3.097  -0.643
   49    HA   ASN   8           HA       ASN   8  -1.172  -2.494   0.144
   50    HB2  ASN   8           HB2      ASN   8  -0.864  -3.045   2.525
   51    HB3  ASN   8           HB1      ASN   8  -0.750  -4.486   1.526
   52   HD21  ASN   8          HD21      ASN   8   1.172  -5.590   1.409
   53   HD22  ASN   8          HD22      ASN   8   2.525  -5.231   2.423
   54    HA   PRO   9           HA       PRO   9   0.684   1.414   0.879
   55    HB2  PRO   9           HB2      PRO   9  -0.801   2.438   2.904
   56    HB3  PRO   9           HB1      PRO   9  -1.393   2.265   1.246
   57    HG2  PRO   9           HG2      PRO   9  -1.853   0.488   3.613
   58    HG3  PRO   9           HG1      PRO   9  -3.012   1.052   2.388
   59    HD2  PRO   9           HD2      PRO   9  -1.911  -1.409   2.299
   60    HD3  PRO   9           HD1      PRO   9  -2.315  -0.496   0.833
   61    H    SER  10           HN       SER  10   2.393  -0.309   1.909
   62    HA   SER  10           HA       SER  10   3.270   1.126   4.325
   63    HB2  SER  10           HB2      SER  10   2.736  -1.264   4.815
   64    HB3  SER  10           HB1      SER  10   3.915  -1.751   3.600
   65    HG   SER  10           HG       SER  10   5.467  -0.510   4.894
   66    H    SER  11           HN       SER  11   3.530   1.486   1.372
   67    HA   SER  11           HA       SER  11   6.328   0.922   0.822
   68    HB2  SER  11           HB2      SER  11   4.325   2.341  -0.942
   69    HB3  SER  11           HB1      SER  11   5.821   1.552  -1.433
   70    HG   SER  11           HG       SER  11   4.245  -0.181  -0.099
   71    H    ASN  12           HN       ASN  12   7.884   2.359   1.183
   72    HA   ASN  12           HA       ASN  12   7.184   5.211   1.218
   73    HB2  ASN  12           HB2      ASN  12   8.912   3.712   3.192
   74    HB3  ASN  12           HB1      ASN  12   8.928   5.465   3.040
   75   HD21  ASN  12          HD21      ASN  12   6.115   5.744   2.535
   76   HD22  ASN  12          HD22      ASN  12   5.305   5.415   4.024
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1  -5.509  -2.441  -4.591
    2    H2   HIS   1           HT2      HIS   1  -4.690  -0.993  -4.883
    3    H3   HIS   1           HT3      HIS   1  -6.356  -0.980  -4.603
    4    HA   HIS   1           HA       HIS   1  -6.024  -1.765  -2.364
    5    HB2  HIS   1           HB2      HIS   1  -3.129  -1.665  -3.197
    6    HB3  HIS   1           HB1      HIS   1  -3.603  -1.602  -1.507
    7    HD1  HIS   1           HD1      HIS   1  -2.959  -3.943  -4.241
    8    HD2  HIS   1           HD2      HIS   1  -5.007  -3.986  -0.624
    9    HE1  HIS   1           HE1      HIS   1  -3.389  -6.365  -3.734
   10    HE2  HIS   1           HE2      HIS   1  -4.787  -6.350  -1.643
   11    H    GLU   2           HN       GLU   2  -4.140  -0.156  -0.864
   12    HA   GLU   2           HA       GLU   2  -5.568   2.328  -1.024
   13    HB2  GLU   2           HB2      GLU   2  -4.615   1.007   1.055
   14    HB3  GLU   2           HB1      GLU   2  -3.170   1.938   0.707
   15    HG2  GLU   2           HG2      GLU   2  -4.386   4.011   0.941
   16    HG3  GLU   2           HG1      GLU   2  -5.880   3.122   1.221
   17    H    VAL   3           HN       VAL   3  -4.389   2.250  -3.376
   18    HA   VAL   3           HA       VAL   3  -2.764   2.933  -4.824
   19    HB   VAL   3           HB       VAL   3  -3.041   5.397  -3.123
   20   HG11  VAL   3          HG11      VAL   3  -2.380   5.088  -6.055
   21   HG12  VAL   3          HG12      VAL   3  -1.254   5.575  -4.788
   22   HG13  VAL   3          HG13      VAL   3  -2.611   6.619  -5.211
   23   HG21  VAL   3          HG21      VAL   3  -5.226   4.525  -3.687
   24   HG22  VAL   3          HG22      VAL   3  -4.766   4.417  -5.387
   25   HG23  VAL   3          HG23      VAL   3  -4.904   5.994  -4.609
   26    HA   PRO   4           HA       PRO   4   1.004   2.713  -2.174
   27    HB2  PRO   4           HB2      PRO   4   1.319   0.096  -1.810
   28    HB3  PRO   4           HB1      PRO   4   0.109   0.990  -0.878
   29    HG2  PRO   4           HG2      PRO   4  -0.268  -0.936  -3.089
   30    HG3  PRO   4           HG1      PRO   4  -1.387  -0.470  -1.798
   31    HD2  PRO   4           HD2      PRO   4  -1.240   0.534  -4.516
   32    HD3  PRO   4           HD1      PRO   4  -2.447   0.898  -3.264
   33    H    SER   5           HN       SER   5   2.720   0.387  -2.780
   34    HA   SER   5           HA       SER   5   3.413   1.044  -5.541
   35    HB2  SER   5           HB2      SER   5   5.160   0.926  -3.705
   36    HB3  SER   5           HB1      SER   5   4.883  -0.815  -3.655
   37    HG   SER   5           HG       SER   5   6.435   0.584  -5.320
   38    H    GLY   6           HN       GLY   6   1.265  -0.871  -4.163
   39    HA2  GLY   6           HA2      GLY   6   0.233  -2.355  -5.986
   40    HA3  GLY   6           HA1      GLY   6   1.762  -3.212  -5.869
   41    HA   PRO   7           HA       PRO   7   0.555  -5.887  -2.623
   42    HB2  PRO   7           HB2      PRO   7   2.237  -5.153  -0.520
   43    HB3  PRO   7           HB1      PRO   7   2.631  -6.293  -1.809
   44    HG2  PRO   7           HG2      PRO   7   3.289  -3.376  -1.590
   45    HG3  PRO   7           HG1      PRO   7   4.303  -4.718  -2.167
   46    HD2  PRO   7           HD2      PRO   7   3.161  -3.077  -3.900
   47    HD3  PRO   7           HD1      PRO   7   3.180  -4.826  -4.219
   48    H    ASN   8           HN       ASN   8   1.499  -3.087  -0.667
   49    HA   ASN   8           HA       ASN   8  -1.200  -2.538   0.183
   50    HB2  ASN   8           HB2      ASN   8  -0.908  -3.131   2.511
   51    HB3  ASN   8           HB1      ASN   8  -0.521  -4.551   1.551
   52   HD21  ASN   8          HD21      ASN   8   0.260  -3.778   4.266
   53   HD22  ASN   8          HD22      ASN   8   1.989  -3.816   4.288
   54    HA   PRO   9           HA       PRO   9   0.698   1.408   0.887
   55    HB2  PRO   9           HB2      PRO   9  -0.666   2.445   2.962
   56    HB3  PRO   9           HB1      PRO   9  -1.389   2.212   1.364
   57    HG2  PRO   9           HG2      PRO   9  -1.561   0.437   3.784
   58    HG3  PRO   9           HG1      PRO   9  -2.878   1.022   2.747
   59    HD2  PRO   9           HD2      PRO   9  -1.841  -1.428   2.431
   60    HD3  PRO   9           HD1      PRO   9  -2.357  -0.450   1.036
   61    H    SER  10           HN       SER  10   2.337  -0.497   1.859
   62    HA   SER  10           HA       SER  10   3.193   0.238   4.522
   63    HB2  SER  10           HB2      SER  10   5.155  -1.292   3.859
   64    HB3  SER  10           HB1      SER  10   3.563  -2.038   3.988
   65    HG   SER  10           HG       SER  10   3.640  -2.500   1.945
   66    H    SER  11           HN       SER  11   3.309   1.646   1.593
   67    HA   SER  11           HA       SER  11   5.977   2.786   1.850
   68    HB2  SER  11           HB2      SER  11   5.225   3.913  -0.351
   69    HB3  SER  11           HB1      SER  11   5.511   2.174  -0.375
   70    HG   SER  11           HG       SER  11   3.157   3.593  -0.666
   71    H    ASN  12           HN       ASN  12   3.913   3.370   3.805
   72    HA   ASN  12           HA       ASN  12   3.714   6.275   3.417
   73    HB2  ASN  12           HB2      ASN  12   1.573   4.467   4.566
   74    HB3  ASN  12           HB1      ASN  12   1.517   6.227   4.580
   75   HD21  ASN  12          HD21      ASN  12   1.137   7.333   2.670
   76   HD22  ASN  12          HD22      ASN  12   0.525   6.544   1.257
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1  -7.496  -1.839  -0.397
    2    H2   HIS   1           HT2      HIS   1  -6.042  -0.982  -0.258
    3    H3   HIS   1           HT3      HIS   1  -6.799  -1.121  -1.760
    4    HA   HIS   1           HA       HIS   1  -8.646   0.196  -1.040
    5    HB2  HIS   1           HB2      HIS   1  -7.124   0.357   1.575
    6    HB3  HIS   1           HB1      HIS   1  -8.492   1.377   1.164
    7    HD1  HIS   1           HD1      HIS   1 -10.833   0.085   0.871
    8    HD2  HIS   1           HD2      HIS   1  -7.766  -2.047   2.696
    9    HE1  HIS   1           HE1      HIS   1 -11.950  -1.822   2.070
   10    HE2  HIS   1           HE2      HIS   1 -10.083  -3.069   3.208
   11    H    GLU   2           HN       GLU   2  -5.615   1.161   0.541
   12    HA   GLU   2           HA       GLU   2  -5.454   3.638  -0.851
   13    HB2  GLU   2           HB2      GLU   2  -4.397   3.114   1.392
   14    HB3  GLU   2           HB1      GLU   2  -3.223   2.137   0.526
   15    HG2  GLU   2           HG2      GLU   2  -2.366   4.360   1.097
   16    HG3  GLU   2           HG1      GLU   2  -2.392   4.065  -0.640
   17    H    VAL   3           HN       VAL   3  -3.742   4.214  -2.380
   18    HA   VAL   3           HA       VAL   3  -3.015   1.958  -4.108
   19    HB   VAL   3           HB       VAL   3  -2.712   4.903  -4.716
   20   HG11  VAL   3          HG11      VAL   3  -2.545   4.116  -7.039
   21   HG12  VAL   3          HG12      VAL   3  -2.644   2.450  -6.469
   22   HG13  VAL   3          HG13      VAL   3  -1.265   3.454  -6.023
   23   HG21  VAL   3          HG21      VAL   3  -4.945   3.023  -5.487
   24   HG22  VAL   3          HG22      VAL   3  -4.740   4.671  -6.079
   25   HG23  VAL   3          HG23      VAL   3  -5.068   4.383  -4.371
   26    HA   PRO   4           HA       PRO   4   1.056   2.715  -2.264
   27    HB2  PRO   4           HB2      PRO   4   1.647   0.171  -1.735
   28    HB3  PRO   4           HB1      PRO   4   0.444   1.036  -0.766
   29    HG2  PRO   4           HG2      PRO   4   0.060  -1.063  -2.827
   30    HG3  PRO   4           HG1      PRO   4  -0.946  -0.659  -1.428
   31    HD2  PRO   4           HD2      PRO   4  -1.304   0.155  -4.153
   32    HD3  PRO   4           HD1      PRO   4  -2.295   0.586  -2.745
   33    H    SER   5           HN       SER   5   2.885   0.430  -2.831
   34    HA   SER   5           HA       SER   5   3.538   1.054  -5.581
   35    HB2  SER   5           HB2      SER   5   5.317   0.766  -3.863
   36    HB3  SER   5           HB1      SER   5   4.845  -0.920  -3.686
   37    HG   SER   5           HG       SER   5   5.580  -1.352  -5.707
   38    H    GLY   6           HN       GLY   6   1.357  -0.877  -4.165
   39    HA2  GLY   6           HA2      GLY   6   0.203  -2.241  -6.042
   40    HA3  GLY   6           HA1      GLY   6   1.695  -3.167  -5.954
   41    HA   PRO   7           HA       PRO   7   0.436  -5.749  -2.653
   42    HB2  PRO   7           HB2      PRO   7   2.162  -5.099  -0.570
   43    HB3  PRO   7           HB1      PRO   7   2.513  -6.228  -1.881
   44    HG2  PRO   7           HG2      PRO   7   3.253  -3.334  -1.618
   45    HG3  PRO   7           HG1      PRO   7   4.229  -4.695  -2.217
   46    HD2  PRO   7           HD2      PRO   7   3.119  -2.991  -3.917
   47    HD3  PRO   7           HD1      PRO   7   3.118  -4.732  -4.272
   48    H    ASN   8           HN       ASN   8   1.527  -3.062  -0.604
   49    HA   ASN   8           HA       ASN   8  -1.153  -2.517   0.355
   50    HB2  ASN   8           HB2      ASN   8  -0.526  -4.584   1.575
   51    HB3  ASN   8           HB1      ASN   8   0.939  -3.797   2.147
   52   HD21  ASN   8          HD21      ASN   8   0.828  -2.369   3.845
   53   HD22  ASN   8          HD22      ASN   8  -0.612  -2.132   4.779
   54    HA   PRO   9           HA       PRO   9   0.826   1.421   1.011
   55    HB2  PRO   9           HB2      PRO   9  -0.806   2.457   2.933
   56    HB3  PRO   9           HB1      PRO   9  -1.233   2.381   1.217
   57    HG2  PRO   9           HG2      PRO   9  -1.985   0.509   3.439
   58    HG3  PRO   9           HG1      PRO   9  -3.016   1.208   2.172
   59    HD2  PRO   9           HD2      PRO   9  -2.082  -1.292   1.966
   60    HD3  PRO   9           HD1      PRO   9  -2.194  -0.236   0.540
   61    H    SER  10           HN       SER  10   2.622   0.132   1.943
   62    HA   SER  10           HA       SER  10   2.928   0.836   4.785
   63    HB2  SER  10           HB2      SER  10   4.245  -1.455   3.301
   64    HB3  SER  10           HB1      SER  10   4.456  -1.066   5.009
   65    HG   SER  10           HG       SER  10   2.275  -1.530   5.341
   66    H    SER  11           HN       SER  11   3.553   1.980   1.944
   67    HA   SER  11           HA       SER  11   5.008   3.521   1.143
   68    HB2  SER  11           HB2      SER  11   4.754   4.349   3.539
   69    HB3  SER  11           HB1      SER  11   6.292   3.560   3.878
   70    HG   SER  11           HG       SER  11   5.737   5.825   2.333
   71    H    ASN  12           HN       ASN  12   5.668   0.968   0.496
   72    HA   ASN  12           HA       ASN  12   8.588   1.134   0.412
   73    HB2  ASN  12           HB2      ASN  12   8.889  -1.221   0.830
   74    HB3  ASN  12           HB1      ASN  12   7.965  -0.539   2.160
   75   HD21  ASN  12          HD21      ASN  12   5.755  -1.018   2.315
   76   HD22  ASN  12          HD22      ASN  12   5.073  -2.403   1.536
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1  -7.558   0.539  -3.285
    2    H2   HIS   1           HT2      HIS   1  -5.988   0.885  -2.776
    3    H3   HIS   1           HT3      HIS   1  -6.852   2.025  -3.674
    4    HA   HIS   1           HA       HIS   1  -8.453   2.255  -1.890
    5    HB2  HIS   1           HB2      HIS   1  -8.084  -0.061  -0.998
    6    HB3  HIS   1           HB1      HIS   1  -6.556   0.487  -0.326
    7    HD1  HIS   1           HD1      HIS   1 -10.112   0.234   0.418
    8    HD2  HIS   1           HD2      HIS   1  -6.903   2.508   1.766
    9    HE1  HIS   1           HE1      HIS   1 -10.840   1.195   2.624
   10    HE2  HIS   1           HE2      HIS   1  -8.889   2.572   3.423
   11    H    GLU   2           HN       GLU   2  -4.976   1.829  -1.083
   12    HA   GLU   2           HA       GLU   2  -5.016   4.603  -0.108
   13    HB2  GLU   2           HB2      GLU   2  -4.436   2.708   1.478
   14    HB3  GLU   2           HB1      GLU   2  -2.967   2.486   0.543
   15    HG2  GLU   2           HG2      GLU   2  -2.693   3.827   2.617
   16    HG3  GLU   2           HG1      GLU   2  -2.167   4.637   1.144
   17    H    VAL   3           HN       VAL   3  -4.244   3.014  -2.781
   18    HA   VAL   3           HA       VAL   3  -2.843   3.190  -4.528
   19    HB   VAL   3           HB       VAL   3  -2.538   5.979  -3.458
   20   HG11  VAL   3          HG11      VAL   3  -2.122   4.931  -6.257
   21   HG12  VAL   3          HG12      VAL   3  -0.846   5.445  -5.155
   22   HG13  VAL   3          HG13      VAL   3  -2.011   6.620  -5.763
   23   HG21  VAL   3          HG21      VAL   3  -4.865   5.394  -3.770
   24   HG22  VAL   3          HG22      VAL   3  -4.525   4.845  -5.410
   25   HG23  VAL   3          HG23      VAL   3  -4.358   6.552  -5.000
   26    HA   PRO   4           HA       PRO   4   1.098   2.732  -2.185
   27    HB2  PRO   4           HB2      PRO   4   1.140   0.119  -1.751
   28    HB3  PRO   4           HB1      PRO   4   0.093   1.161  -0.768
   29    HG2  PRO   4           HG2      PRO   4  -0.620  -0.670  -3.013
   30    HG3  PRO   4           HG1      PRO   4  -1.533  -0.277  -1.547
   31    HD2  PRO   4           HD2      PRO   4  -1.860   0.869  -4.120
   32    HD3  PRO   4           HD1      PRO   4  -2.618   1.404  -2.609
   33    H    SER   5           HN       SER   5   2.672   0.500  -2.801
   34    HA   SER   5           HA       SER   5   3.064   0.958  -5.664
   35    HB2  SER   5           HB2      SER   5   4.929  -0.232  -3.600
   36    HB3  SER   5           HB1      SER   5   5.336   0.089  -5.286
   37    HG   SER   5           HG       SER   5   5.962   1.758  -3.735
   38    H    GLY   6           HN       GLY   6   1.018  -0.877  -4.607
   39    HA2  GLY   6           HA2      GLY   6   0.444  -2.745  -6.145
   40    HA3  GLY   6           HA1      GLY   6   2.044  -3.375  -5.802
   41    HA   PRO   7           HA       PRO   7   0.730  -5.922  -2.504
   42    HB2  PRO   7           HB2      PRO   7   2.233  -4.979  -0.353
   43    HB3  PRO   7           HB1      PRO   7   2.784  -6.154  -1.550
   44    HG2  PRO   7           HG2      PRO   7   3.238  -3.192  -1.450
   45    HG3  PRO   7           HG1      PRO   7   4.376  -4.490  -1.879
   46    HD2  PRO   7           HD2      PRO   7   3.251  -3.022  -3.775
   47    HD3  PRO   7           HD1      PRO   7   3.418  -4.778  -3.994
   48    H    ASN   8           HN       ASN   8   1.461  -3.057  -0.586
   49    HA   ASN   8           HA       ASN   8  -1.234  -2.272  -0.160
   50    HB2  ASN   8           HB2      ASN   8  -1.516  -2.970   2.137
   51    HB3  ASN   8           HB1      ASN   8  -1.117  -4.399   1.199
   52   HD21  ASN   8          HD21      ASN   8   0.941  -5.333   1.432
   53   HD22  ASN   8          HD22      ASN   8   1.919  -5.007   2.820
   54    HA   PRO   9           HA       PRO   9   0.790   1.447   0.982
   55    HB2  PRO   9           HB2      PRO   9  -0.481   2.291   3.262
   56    HB3  PRO   9           HB1      PRO   9  -1.121   2.469   1.621
   57    HG2  PRO   9           HG2      PRO   9  -1.732   0.367   3.667
   58    HG3  PRO   9           HG1      PRO   9  -2.846   1.260   2.609
   59    HD2  PRO   9           HD2      PRO   9  -2.102  -1.229   2.014
   60    HD3  PRO   9           HD1      PRO   9  -2.280  -0.003   0.741
   61    H    SER  10           HN       SER  10   1.797   2.683   2.906
   62    HA   SER  10           HA       SER  10   3.548   2.805   4.330
   63    HB2  SER  10           HB2      SER  10   2.210   1.405   5.888
   64    HB3  SER  10           HB1      SER  10   2.882  -0.040   5.136
   65    HG   SER  10           HG       SER  10   4.999   0.992   5.719
   66    H    SER  11           HN       SER  11   3.427   1.328   1.606
   67    HA   SER  11           HA       SER  11   6.289   0.743   1.574
   68    HB2  SER  11           HB2      SER  11   4.193  -1.032   0.286
   69    HB3  SER  11           HB1      SER  11   5.939  -1.239   0.163
   70    HG   SER  11           HG       SER  11   5.781  -1.288   2.602
   71    H    ASN  12           HN       ASN  12   6.914   2.446   0.365
   72    HA   ASN  12           HA       ASN  12   5.462   2.932  -2.152
   73    HB2  ASN  12           HB2      ASN  12   7.044   4.860  -0.438
   74    HB3  ASN  12           HB1      ASN  12   6.415   5.248  -2.036
   75   HD21  ASN  12          HD21      ASN  12   3.967   3.709  -1.622
   76   HD22  ASN  12          HD22      ASN  12   2.991   4.659  -0.558
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1  -5.757  -2.539  -1.997
    2    H2   HIS   1           HT2      HIS   1  -5.160  -1.694  -0.664
    3    H3   HIS   1           HT3      HIS   1  -4.718  -1.232  -2.229
    4    HA   HIS   1           HA       HIS   1  -6.931  -0.559  -2.741
    5    HB2  HIS   1           HB2      HIS   1  -7.517  -1.594   0.036
    6    HB3  HIS   1           HB1      HIS   1  -8.608  -0.522  -0.833
    7    HD1  HIS   1           HD1      HIS   1  -7.525  -4.057  -0.600
    8    HD2  HIS   1           HD2      HIS   1  -9.863  -1.701  -3.104
    9    HE1  HIS   1           HE1      HIS   1  -8.837  -5.664  -2.016
   10    HE2  HIS   1           HE2      HIS   1 -10.380  -4.217  -3.374
   11    H    GLU   2           HN       GLU   2  -4.450   0.576  -1.861
   12    HA   GLU   2           HA       GLU   2  -5.489   3.084  -0.831
   13    HB2  GLU   2           HB2      GLU   2  -4.661   1.642   1.105
   14    HB3  GLU   2           HB1      GLU   2  -3.056   1.825   0.430
   15    HG2  GLU   2           HG2      GLU   2  -3.629   3.396   2.298
   16    HG3  GLU   2           HG1      GLU   2  -3.045   4.155   0.819
   17    H    VAL   3           HN       VAL   3  -4.513   2.054  -3.328
   18    HA   VAL   3           HA       VAL   3  -2.868   2.132  -4.904
   19    HB   VAL   3           HB       VAL   3  -4.256   4.085  -5.292
   20   HG11  VAL   3          HG11      VAL   3  -2.262   5.632  -3.656
   21   HG12  VAL   3          HG12      VAL   3  -3.936   5.292  -3.219
   22   HG13  VAL   3          HG13      VAL   3  -3.578   6.325  -4.604
   23   HG21  VAL   3          HG21      VAL   3  -1.343   4.568  -5.868
   24   HG22  VAL   3          HG22      VAL   3  -2.688   5.380  -6.666
   25   HG23  VAL   3          HG23      VAL   3  -2.475   3.639  -6.850
   26    HA   PRO   4           HA       PRO   4   0.879   2.715  -2.282
   27    HB2  PRO   4           HB2      PRO   4   1.410   0.178  -1.639
   28    HB3  PRO   4           HB1      PRO   4   0.182   1.104  -0.772
   29    HG2  PRO   4           HG2      PRO   4  -0.141  -1.062  -2.765
   30    HG3  PRO   4           HG1      PRO   4  -1.202  -0.593  -1.428
   31    HD2  PRO   4           HD2      PRO   4  -1.459   0.098  -4.179
   32    HD3  PRO   4           HD1      PRO   4  -2.458   0.657  -2.826
   33    H    SER   5           HN       SER   5   2.734   0.470  -2.546
   34    HA   SER   5           HA       SER   5   3.849   0.967  -5.109
   35    HB2  SER   5           HB2      SER   5   5.261  -1.106  -4.397
   36    HB3  SER   5           HB1      SER   5   5.400   0.373  -3.444
   37    HG   SER   5           HG       SER   5   5.065  -1.655  -2.234
   38    H    GLY   6           HN       GLY   6   1.391  -1.000  -3.956
   39    HA2  GLY   6           HA2      GLY   6   0.169  -2.042  -6.005
   40    HA3  GLY   6           HA1      GLY   6   1.625  -3.033  -6.041
   41    HA   PRO   7           HA       PRO   7   0.294  -5.722  -2.738
   42    HB2  PRO   7           HB2      PRO   7   2.096  -5.218  -0.700
   43    HB3  PRO   7           HB1      PRO   7   2.394  -6.294  -2.068
   44    HG2  PRO   7           HG2      PRO   7   3.186  -3.416  -1.712
   45    HG3  PRO   7           HG1      PRO   7   4.148  -4.778  -2.336
   46    HD2  PRO   7           HD2      PRO   7   3.065  -3.037  -4.008
   47    HD3  PRO   7           HD1      PRO   7   3.023  -4.774  -4.386
   48    H    ASN   8           HN       ASN   8   1.593  -3.117  -0.694
   49    HA   ASN   8           HA       ASN   8  -1.050  -2.560   0.402
   50    HB2  ASN   8           HB2      ASN   8   1.171  -3.918   1.921
   51    HB3  ASN   8           HB1      ASN   8  -0.043  -2.958   2.749
   52   HD21  ASN   8          HD21      ASN   8   0.616  -5.838   2.809
   53   HD22  ASN   8          HD22      ASN   8  -0.878  -6.645   2.481
   54    HA   PRO   9           HA       PRO   9   0.703   1.460   0.948
   55    HB2  PRO   9           HB2      PRO   9  -0.752   2.386   3.035
   56    HB3  PRO   9           HB1      PRO   9  -1.412   2.191   1.406
   57    HG2  PRO   9           HG2      PRO   9  -1.642   0.362   3.770
   58    HG3  PRO   9           HG1      PRO   9  -2.902   0.889   2.633
   59    HD2  PRO   9           HD2      PRO   9  -1.708  -1.510   2.411
   60    HD3  PRO   9           HD1      PRO   9  -2.210  -0.570   0.989
   61    H    SER  10           HN       SER  10   2.447  -0.346   1.984
   62    HA   SER  10           HA       SER  10   3.247   0.905   4.524
   63    HB2  SER  10           HB2      SER  10   4.733  -1.151   4.742
   64    HB3  SER  10           HB1      SER  10   2.998  -1.446   4.862
   65    HG   SER  10           HG       SER  10   3.873  -2.965   3.488
   66    H    SER  11           HN       SER  11   3.605   1.555   1.526
   67    HA   SER  11           HA       SER  11   5.160   2.329   0.078
   68    HB2  SER  11           HB2      SER  11   6.964   3.748   1.102
   69    HB3  SER  11           HB1      SER  11   5.336   4.132   1.649
   70    HG   SER  11           HG       SER  11   6.460   2.265   3.242
   71    H    ASN  12           HN       ASN  12   5.424  -0.388   0.601
   72    HA   ASN  12           HA       ASN  12   8.323  -0.772   0.308
   73    HB2  ASN  12           HB2      ASN  12   7.664  -1.652   2.476
   74    HB3  ASN  12           HB1      ASN  12   6.348  -2.561   1.744
   75   HD21  ASN  12          HD21      ASN  12   9.787  -2.353   2.191
   76   HD22  ASN  12          HD22      ASN  12  10.150  -3.967   1.684