*HEADER    RIBOSOME                                16-JAN-04   1S4H              
*TITLE     NMR STRUCTURE OF CROSS-REACTIVE PEPTIDES FROM L.                      
*TITLE    2 BRAZILIENSIS                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 60S ACIDIC RIBOSOMAL PROTEIN P2;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: A13 - C-TERMINAL DOMAIN;                                   
*COMPND   5 SYNONYM: ACIDIC RIBOSOMAL P2 BETA PROTEIN, P2B-PROTEIN,              
*COMPND   6 RIBOSOMAL P PROTEIN;                                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE OBTAINED BY SOLID PHASE SYNTHESIS.            
*SOURCE   4 THE SEQUENCE IS NATURALLY FOUND IN LEISHMANIA BRAZILIENSIS.          
*KEYWDS    LEISHMANIA BRAZILIENSES, ANTIGENIC PEPTIDE, RIBOSOMAL P2              
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.R.SOARES, P.M.BISCH, A.C.CAMPOS DE CARVALHO, A.P.VALENTE,           
*AUTHOR   2 F.C.L.ALMEIDA                                                        
*REVDAT   1   16-MAR-04 1S4H    0                                                

assign (resid 1 and name HT1) (resid 1 and name HA)      3.93047 2.13047 1.06953
assign (resid 1 and name HT1) (resid 1 and name HB#)      4.63301 2.83301 0.96699
assign (resid 2 and name HG#) (resid 2 and name HB2)      2.55538 0.75538 0.24462
assign (resid 2 and name HG#) (resid 2 and name HB1)      3.01496 1.21496 0.38504
assign (resid 2 and name HG#) (resid 2 and name HA)      3.91405 2.11405 1.68595
assign (resid 2 and name HA) (resid 2 and name HB2)      3.97344 2.17344 1.02656
assign (resid 2 and name HN) (resid 2 and name HG#)      3.96178 2.16178 2.03822
assign (resid 2 and name HN) (resid 2 and name HA)      3.58135 1.78135 1.41865
assign (resid 2 and name HN) (resid 2 and name HB2)      3.60905 1.80905 1.39095
assign (resid 2 and name HN) (resid 2 and name HB1)      3.58105 1.78105 1.41895
assign (resid 2 and name HN) (resid 3 and name HN)      4.61156 2.81156 0.38844
assign (resid 3 and name HA) (resid 3 and name HB#)      3.60121 1.80121 1.39879
assign (resid 3 and name HA) (resid 3 and name HN)      4.05102 2.25102 0.94898
assign (resid 3 and name HN) (resid 2 and name HA)      2.90386 1.10386 0.49614
assign (resid 3 and name HN) (resid 2 and name HB2)      3.9345 2.1345 1.0655
assign (resid 3 and name HN) (resid 5 and name HN)      3.87421 2.07421 1.12579
assign (resid 3 and name HN) (resid 3 and name HB#)      3.24213 1.44213 0.75787
assign (resid 3 and name HN) (resid 2 and name HB1)      4.32295 2.52295 0.67705
assign (resid 3 and name HN) (resid 2 and name HG#)      4.58909 2.78909 1.41091
assign (resid 4 and name HN) (resid 3 and name HN)      4.25824 2.45824 0.74176
assign (resid 4 and name HN) (resid 3 and name HB#)      4.56244 2.76244 1.43756
assign (resid 4 and name HN) (resid 3 and name HA)      3.7012 1.9012 1.2988
assign (resid 4 and name HN) (resid 4 and name HA)      2.84996 1.04996 0.55004
assign (resid 4 and name HN) (resid 4 and name HB#)      3.83559 2.03559 1.76441
assign (resid 5 and name HN) (resid 3 and name HB#)      3.76954 1.96954 2.23046
assign (resid 5 and name HN) (resid 5 and name HB#)      3.24512 1.44512 0.75488
assign (resid 5 and name HN) (resid 5 and name HA)      3.16254 1.36254 0.23746
assign (resid 5 and name HN) (resid 3 and name HA)      3.02689 1.22689 0.37311
assign (resid 6 and name HB2) (resid 6 and name HN)      3.44899 1.64899 1.55101
assign (resid 6 and name HN) (resid 6 and name HA)      2.78273 0.98273 0.01727
assign (resid 6 and name HB1) (resid 6 and name HN)      2.97553 1.17553 0.42447
assign (resid 7 and name HB1) (resid 7 and name HA)      3.67939 1.87939 1.32061
assign (resid 7 and name HB2) (resid 7 and name HA)      3.36657 1.56657 0.03343
assign (resid 7 and name HG2) (resid 7 and name HG1)      2.3739 0.5739 0.4261
assign (resid 7 and name HB2) (resid 7 and name HN)      3.55393 1.75393 1.44607
assign (resid 7 and name HB1) (resid 7 and name HN)      3.56629 1.76629 1.43371
assign (resid 7 and name HG2) (resid 7 and name HN)      4.19158 2.39158 0.80842
assign (resid 7 and name HG1) (resid 7 and name HN)      4.20896 2.40896 0.79104
assign (resid 7 and name HN) (resid 7 and name HA)      2.99642 1.19642 0.40358
assign (resid 8 and name HN) (resid 9 and name HN)      3.4745 1.6745 1.5255
assign (resid 8 and name HA1) (resid 8 and name HN)      3.09835 1.29835 0.30165
assign (resid 8 and name HA1) (resid 9 and name HN)      3.41176 1.61176 1.58824
assign (resid 8 and name HA2) (resid 8 and name HN)      3.15767 1.35767 0.24233
assign (resid 8 and name HA2) (resid 9 and name HN)      3.4219 1.6219 1.5781
assign (resid 9 and name HA) (resid 9 and name HB1)      3.85082 2.05082 1.14918
assign (resid 9 and name HA) (resid 9 and name HB2)      4.13734 2.33734 0.86266
assign (resid 9 and name HD2) (resid 10 and name HN)      4.17382 2.37382 0.82618
assign (resid 9 and name HB2) (resid 9 and name HB1)      2.25894 0.45894 0.54106
assign (resid 9 and name HD1) (resid 9 and name HB2)      4.13406 2.33406 0.86594
assign (resid 9 and name HD1) (resid 9 and name HB1)      4.25123 2.45123 0.74877
assign (resid 9 and name HD2) (resid 7 and name HB2)      4.34458 2.54458 0.65542
assign (resid 9 and name HB2) (resid 9 and name HD2)      3.49859 1.69859 1.50141
assign (resid 9 and name HB1) (resid 9 and name HD2)      3.49884 1.69884 1.50116
assign (resid 9 and name HN) (resid 11 and name HN)      4.20066 2.40066 0.79934
assign (resid 9 and name HN) (resid 9 and name HB1)      3.16962 1.36962 0.23038
assign (resid 9 and name HN) (resid 9 and name HB2)      3.49884 1.69884 1.50116
assign (resid 9 and name HN) (resid 9 and name HA)      3.38904 1.58904 0.01096
assign (resid 9 and name HN) (resid 9 and name HD2)      4.13487 2.33487 0.86513
assign (resid 9 and name HN) (resid 8 and name HA2)      3.0097 1.2097 0.3903
assign (resid 10 and name HA2) (resid 10 and name HN)      2.85748 1.05748 0.54252
assign (resid 10 and name HA1) (resid 10 and name HN)      3.80912 2.00912 1.19088
assign (resid 10 and name HA2) (resid 9 and name HN)      3.79771 1.99771 1.20229
assign (resid 10 and name HN) (resid 9 and name HB1)      4.06105 2.26105 0.93895
assign (resid 10 and name HN) (resid 9 and name HB2)      4.00597 2.20597 0.99403
assign (resid 10 and name HN) (resid 9 and name HN)      3.50913 1.70913 1.49087
assign (resid 10 and name HN) (resid 11 and name HN)      3.53828 1.73828 1.46172
assign (resid 11 and name HN) (resid 11 and name HA)      3.49732 1.69732 1.50268
assign (resid 11 and name HN) (resid 10 and name HA2)      2.98681 1.18681 0.41319
assign (resid 11 and name HN) (resid 11 and name HB2)      2.9843 1.1843 0.4157
assign (resid 11 and name HN) (resid 11 and name HB1)      3.73508 1.93508 1.26492
assign (resid 11 and name HN) (resid 11 and name HD##)      4.33882 2.53882 0.66118
assign (resid 11 and name HA) (resid 11 and name HD##)      3.81144 2.01144 2.18856
assign (resid 11 and name HA) (resid 11 and name HB2)      3.45969 1.65969 1.54031
assign (resid 11 and name HB1) (resid 11 and name HD##)      3.51095 1.71095 1.48905
assign (resid 11 and name HB1) (resid 11 and name HB2)      2.27226 0.47226 0.52774
assign (resid 12 and name HD2) (resid 7 and name HB2)      4.77858 2.97858 0.22142
assign (resid 12 and name HD2) (resid 12 and name HA)      4.65895 2.85895 0.34105
assign (resid 12 and name HD2) (resid 3 and name HB#)      4.30314 2.50314 1.69686
assign (resid 12 and name HD1) (resid 12 and name HN)      3.83753 2.03753 1.16247
assign (resid 12 and name HD2) (resid 12 and name HB2)      4.34691 2.54691 0.65309
assign (resid 12 and name HD2) (resid 12 and name HB1)      4.23843 2.43843 0.76157
assign (resid 12 and name HN) (resid 12 and name HB2)      3.95274 2.15274 1.04726
assign (resid 12 and name HN) (resid 11 and name HB2)      3.96973 2.16973 1.03027
assign (resid 12 and name HN) (resid 11 and name HN)      3.4318 1.6318 1.5682
assign (resid 12 and name HN) (resid 12 and name HB1)      3.40414 1.60414 1.59586
assign (resid 12 and name HN) (resid 11 and name HA)      2.99019 1.19019 0.40981
assign (resid 12 and name HN) (resid 11 and name HB1)      3.81005 2.01005 1.18995
assign (resid 12 and name HN) (resid 11 and name HD##)      4.61156 2.81156 0.38844
assign (resid 12 and name HN) (resid 10 and name HA2)      4.24431 2.44431 0.75569
assign (resid 12 and name HB2) (resid 12 and name HB1)      2.34058 0.54058 0.45942
assign (resid 12 and name HB2) (resid 12 and name HD1)      3.76911 1.96911 1.23089
assign (resid 12 and name HE2) (resid 12 and name HZ)      4.74771 2.94771 0.25229
assign (resid 12 and name HA) (resid 12 and name HB2)      4.33311 2.53311 0.66689
assign (resid 12 and name HA) (resid 12 and name HB1)      3.68084 1.88084 1.31916
assign (resid 13 and name HB1) (resid 13 and name HA)      3.94502 2.14502 1.05498
assign (resid 13 and name HB2) (resid 13 and name HA)      3.60653 1.80653 1.39347
assign (resid 13 and name HB1) (resid 9 and name HB2)      4.03908 2.23908 0.96092
assign (resid 13 and name HB2) (resid 13 and name HN)      4.04467 2.24467 0.95533
assign (resid 13 and name HB1) (resid 13 and name HN)      4.06686 2.26686 0.93314
assign (resid 13 and name HN) (resid 12 and name HN)      3.58466 1.78466 1.41534
assign (resid 13 and name HN) (resid 13 and name HA)      3.93799 2.13799 1.06201
assign (resid 13 and name HN) (resid 12 and name HB2)      4.35275 2.55275 0.64725
assign (resid 13 and name HN) (resid 12 and name HA)      3.20458 1.40458 0.19542
assign (resid 13 and name HN) (resid 12 and name HB1)      4.45036 2.65036 0.54964


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1  -7.887   8.312  -1.998
    2   2H    GLU   1          2HT       GLU   1  -7.317   7.397  -0.662
    3   3H    GLU   1          3HT       GLU   1  -8.811   6.996  -1.405
    4    HA   GLU   1           HA       GLU   1  -7.531   6.609  -3.479
    5   1HB   GLU   1          2HB       GLU   1  -5.278   6.655  -1.459
    6   2HB   GLU   1          1HB       GLU   1  -5.132   6.127  -3.129
    7   1HG   GLU   1          2HG       GLU   1  -5.869   8.903  -2.227
    8   2HG   GLU   1          1HG       GLU   1  -4.282   8.392  -2.800
    9    H    GLU   2           H        GLU   2  -7.519   4.468  -4.008
   10    HA   GLU   2           HA       GLU   2  -8.287   2.621  -1.913
   11   1HB   GLU   2          2HB       GLU   2  -8.035   2.209  -4.899
   12   2HB   GLU   2          1HB       GLU   2  -8.681   1.031  -3.766
   13   1HG   GLU   2          2HG       GLU   2 -10.524   2.067  -4.812
   14   2HG   GLU   2          1HG       GLU   2 -10.445   2.702  -3.171
   15    H    ALA   3           H        ALA   3  -6.860   1.454  -0.831
   16    HA   ALA   3           HA       ALA   3  -4.721   0.075  -2.154
   17   1HB   ALA   3          1HB       ALA   3  -4.184   2.566  -0.660
   18   2HB   ALA   3          2HB       ALA   3  -3.294   1.823  -1.989
   19   3HB   ALA   3          3HB       ALA   3  -3.101   1.211  -0.346
   20    H    ASP   4           H        ASP   4  -7.040  -0.524  -0.492
   21    HA   ASP   4           HA       ASP   4  -5.842  -1.503   1.990
   22   1HB   ASP   4          2HB       ASP   4  -8.006  -0.341   2.143
   23   2HB   ASP   4          1HB       ASP   4  -8.725  -1.532   1.063
   24    H    ASP   5           H        ASP   5  -4.842  -2.744  -0.249
   25    HA   ASP   5           HA       ASP   5  -6.171  -5.373  -0.243
   26   1HB   ASP   5          2HB       ASP   5  -6.058  -4.339  -2.465
   27   2HB   ASP   5          1HB       ASP   5  -4.312  -4.176  -2.311
   28    H    ASP   6           H        ASP   6  -4.776  -5.083   1.948
   29    HA   ASP   6           HA       ASP   6  -3.001  -5.763   3.208
   30   1HB   ASP   6          2HB       ASP   6  -3.905  -7.920   2.521
   31   2HB   ASP   6          1HB       ASP   6  -2.950  -7.872   1.044
   32    H    MET   7           H        MET   7  -1.657  -3.956   2.832
   33    HA   MET   7           HA       MET   7   0.916  -4.554   1.890
   34   1HB   MET   7          2HB       MET   7   1.033  -3.060  -0.068
   35   2HB   MET   7          1HB       MET   7  -0.060  -4.412  -0.330
   36   1HG   MET   7          2HG       MET   7  -1.971  -2.970   0.119
   37   2HG   MET   7          1HG       MET   7  -0.882  -1.609   0.401
   38   1HE   MET   7          1HE       MET   7  -2.628  -0.614  -1.014
   39   2HE   MET   7          2HE       MET   7  -3.306  -1.545  -2.350
   40   3HE   MET   7          3HE       MET   7  -2.200  -0.211  -2.676
   41    H    GLY   8           H        GLY   8   2.416  -2.940   2.380
   42   1HA   GLY   8          2HA       GLY   8   2.206  -0.305   2.825
   43   2HA   GLY   8          1HA       GLY   8   1.436  -0.958   4.263
   44    H    PHE   9           H        PHE   9   4.430  -0.519   2.551
   45    HA   PHE   9           HA       PHE   9   5.918  -0.796   4.981
   46   1HB   PHE   9          2HB       PHE   9   7.409  -2.588   4.128
   47   2HB   PHE   9          1HB       PHE   9   5.757  -3.131   4.401
   48    HD1  PHE   9           1HD      PHE   9   7.789  -1.687   1.598
   49    HD2  PHE   9           2HD      PHE   9   4.850  -4.497   2.841
   50    HE1  PHE   9           1HE      PHE   9   7.661  -2.557  -0.695
   51    HE2  PHE   9           2HE      PHE   9   4.719  -5.379   0.548
   52    HZ   PHE   9           HZ       PHE   9   6.126  -4.408  -1.224
   53    H    GLY  10           H        GLY  10   8.465  -1.127   3.873
   54   1HA   GLY  10          2HA       GLY  10   9.050   1.483   3.052
   55   2HA   GLY  10          1HA       GLY  10  10.147   0.116   2.927
   56    H    LEU  11           H        LEU  11   7.634   1.936   1.310
   57    HA   LEU  11           HA       LEU  11   8.810   1.701  -1.229
   58   1HB   LEU  11          2HB       LEU  11   7.939  -0.614  -0.999
   59   2HB   LEU  11          1HB       LEU  11   6.320   0.043  -0.828
   60   1HD1  LEU  11          1HD2      LEU  11   6.427  -1.245  -4.298
   61   2HD1  LEU  11          2HD2      LEU  11   5.835  -1.580  -2.671
   62   3HD1  LEU  11          3HD2      LEU  11   7.509  -1.941  -3.091
   63   1HD2  LEU  11          1HD1      LEU  11   5.565   0.795  -4.151
   64   2HD2  LEU  11          2HD1      LEU  11   6.601   2.087  -3.545
   65   3HD2  LEU  11          3HD1      LEU  11   5.379   1.371  -2.494
   66    H    PHE  12           H        PHE  12   5.550   1.760   0.121
   67    HA   PHE  12           HA       PHE  12   5.185   4.451  -1.007
   68   1HB   PHE  12          2HB       PHE  12   2.852   3.896  -1.539
   69   2HB   PHE  12          1HB       PHE  12   3.970   2.841  -2.403
   70    HD1  PHE  12           1HD      PHE  12   2.050   2.923   0.805
   71    HD2  PHE  12           2HD      PHE  12   3.498   0.600  -2.454
   72    HE1  PHE  12           1HE      PHE  12   0.887   0.952   1.699
   73    HE2  PHE  12           2HE      PHE  12   2.332  -1.375  -1.567
   74    HZ   PHE  12           HZ       PHE  12   1.025  -1.199   0.513
   75    H    ASP  13           H        ASP  13   5.526   2.818   1.747
   76    HA   ASP  13           HA       ASP  13   3.347   3.458   3.362
   77   1HB   ASP  13          2HB       ASP  13   4.898   3.184   5.254
   78   2HB   ASP  13          1HB       ASP  13   5.113   1.905   4.060
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  -4.702   9.184  -2.942
    2   2H    GLU   1          2HT       GLU   1  -3.874   8.792  -1.492
    3   3H    GLU   1          3HT       GLU   1  -5.574   8.583  -1.595
    4    HA   GLU   1           HA       GLU   1  -5.101   7.013  -3.467
    5   1HB   GLU   1          2HB       GLU   1  -2.383   7.174  -2.143
    6   2HB   GLU   1          1HB       GLU   1  -2.852   5.991  -3.357
    7   1HG   GLU   1          2HG       GLU   1  -2.719   8.970  -3.770
    8   2HG   GLU   1          1HG       GLU   1  -1.511   7.801  -4.298
    9    H    GLU   2           H        GLU   2  -5.306   4.800  -2.932
   10    HA   GLU   2           HA       GLU   2  -5.262   4.164  -0.067
   11   1HB   GLU   2          2HB       GLU   2  -7.537   3.527  -1.956
   12   2HB   GLU   2          1HB       GLU   2  -7.404   2.950  -0.302
   13   1HG   GLU   2          2HG       GLU   2  -8.909   4.766  -0.282
   14   2HG   GLU   2          1HG       GLU   2  -7.407   5.341   0.438
   15    H    ALA   3           H        ALA   3  -5.933   1.633   0.044
   16    HA   ALA   3           HA       ALA   3  -5.075  -0.057  -2.032
   17   1HB   ALA   3          1HB       ALA   3  -2.996  -0.159   0.070
   18   2HB   ALA   3          2HB       ALA   3  -2.916   1.188  -1.065
   19   3HB   ALA   3          3HB       ALA   3  -2.878  -0.471  -1.662
   20    H    ASP   4           H        ASP   4  -7.109  -0.864  -1.130
   21    HA   ASP   4           HA       ASP   4  -7.427  -1.849   1.456
   22   1HB   ASP   4          2HB       ASP   4  -9.291  -1.599  -0.117
   23   2HB   ASP   4          1HB       ASP   4  -8.637  -2.895  -1.113
   24    H    ASP   5           H        ASP   5  -5.754  -3.187  -1.287
   25    HA   ASP   5           HA       ASP   5  -5.610  -5.874  -0.524
   26   1HB   ASP   5          2HB       ASP   5  -4.930  -5.043  -2.744
   27   2HB   ASP   5          1HB       ASP   5  -3.551  -4.227  -2.015
   28    H    ASP   6           H        ASP   6  -4.264  -7.019   0.811
   29    HA   ASP   6           HA       ASP   6  -3.202  -5.814   3.068
   30   1HB   ASP   6          2HB       ASP   6  -2.506  -8.486   1.837
   31   2HB   ASP   6          1HB       ASP   6  -2.147  -7.999   3.485
   32    H    MET   7           H        MET   7  -1.846  -4.101   2.478
   33    HA   MET   7           HA       MET   7   0.893  -4.697   2.305
   34   1HB   MET   7          2HB       MET   7   1.384  -3.772   0.062
   35   2HB   MET   7          1HB       MET   7   0.453  -5.263  -0.007
   36   1HG   MET   7          2HG       MET   7  -1.581  -3.995  -0.406
   37   2HG   MET   7          1HG       MET   7  -0.672  -2.485  -0.302
   38   1HE   MET   7          1HE       MET   7  -2.318  -2.449  -2.243
   39   2HE   MET   7          2HE       MET   7  -2.171  -3.378  -3.736
   40   3HE   MET   7          3HE       MET   7  -1.292  -1.860  -3.551
   41    H    GLY   8           H        GLY   8   2.190  -2.884   2.633
   42   1HA   GLY   8          2HA       GLY   8   1.750  -0.249   2.235
   43   2HA   GLY   8          1HA       GLY   8   0.777  -0.579   3.659
   44    H    PHE   9           H        PHE   9   3.997  -0.280   2.382
   45    HA   PHE   9           HA       PHE   9   5.037   0.269   4.989
   46   1HB   PHE   9          2HB       PHE   9   6.763  -1.514   4.930
   47   2HB   PHE   9          1HB       PHE   9   5.125  -2.138   5.088
   48    HD1  PHE   9           1HD      PHE   9   7.520  -1.293   2.326
   49    HD2  PHE   9           2HD      PHE   9   4.614  -3.981   3.879
   50    HE1  PHE   9           1HE      PHE   9   7.858  -2.767   0.392
   51    HE2  PHE   9           2HE      PHE   9   4.950  -5.466   1.948
   52    HZ   PHE   9           HZ       PHE   9   6.575  -4.859   0.199
   53    H    GLY  10           H        GLY  10   7.757  -0.073   4.436
   54   1HA   GLY  10          2HA       GLY  10   8.327   2.263   3.006
   55   2HA   GLY  10          1HA       GLY  10   9.506   1.037   3.447
   56    H    LEU  11           H        LEU  11   7.228   2.083   1.009
   57    HA   LEU  11           HA       LEU  11   8.850   1.289  -1.143
   58   1HB   LEU  11          2HB       LEU  11   8.070  -0.952  -0.405
   59   2HB   LEU  11          1HB       LEU  11   6.416  -0.437  -0.685
   60   1HD1  LEU  11          1HD2      LEU  11   7.656  -2.679  -3.486
   61   2HD1  LEU  11          2HD2      LEU  11   6.213  -2.488  -2.491
   62   3HD1  LEU  11          3HD2      LEU  11   7.775  -2.797  -1.730
   63   1HD2  LEU  11          1HD1      LEU  11   6.220  -0.692  -4.153
   64   2HD2  LEU  11          2HD1      LEU  11   7.077   0.808  -3.799
   65   3HD2  LEU  11          3HD1      LEU  11   5.727   0.303  -2.782
   66    H    PHE  12           H        PHE  12   5.415   1.427  -0.352
   67    HA   PHE  12           HA       PHE  12   5.113   3.659  -2.238
   68   1HB   PHE  12          2HB       PHE  12   2.938   2.753  -2.955
   69   2HB   PHE  12          1HB       PHE  12   4.255   1.640  -3.324
   70    HD1  PHE  12           1HD      PHE  12   1.809   2.317  -0.577
   71    HD2  PHE  12           2HD      PHE  12   3.930  -0.580  -2.863
   72    HE1  PHE  12           1HE      PHE  12   0.635   0.520   0.617
   73    HE2  PHE  12           2HE      PHE  12   2.754  -2.381  -1.675
   74    HZ   PHE  12           HZ       PHE  12   1.106  -1.832   0.068
   75    H    ASP  13           H        ASP  13   5.061   2.876   0.872
   76    HA   ASP  13           HA       ASP  13   2.588   3.670   1.889
   77   1HB   ASP  13          2HB       ASP  13   3.792   4.078   3.997
   78   2HB   ASP  13          1HB       ASP  13   4.296   2.561   3.256
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1  -3.865   9.132  -2.747
    2   2H    GLU   1          2HT       GLU   1  -2.834   8.155  -1.784
    3   3H    GLU   1          3HT       GLU   1  -4.373   8.627  -1.190
    4    HA   GLU   1           HA       GLU   1  -5.316   7.438  -3.161
    5   1HB   GLU   1          2HB       GLU   1  -2.522   6.278  -3.069
    6   2HB   GLU   1          1HB       GLU   1  -3.850   5.651  -4.035
    7   1HG   GLU   1          2HG       GLU   1  -2.605   8.376  -4.327
    8   2HG   GLU   1          1HG       GLU   1  -2.291   6.983  -5.360
    9    H    GLU   2           H        GLU   2  -5.287   4.795  -2.939
   10    HA   GLU   2           HA       GLU   2  -5.217   4.168  -0.073
   11   1HB   GLU   2          2HB       GLU   2  -7.512   3.539  -1.939
   12   2HB   GLU   2          1HB       GLU   2  -7.370   2.969  -0.284
   13   1HG   GLU   2          2HG       GLU   2  -8.862   4.795  -0.259
   14   2HG   GLU   2          1HG       GLU   2  -7.350   5.362   0.446
   15    H    ALA   3           H        ALA   3  -5.911   1.642   0.050
   16    HA   ALA   3           HA       ALA   3  -5.077  -0.060  -2.028
   17   1HB   ALA   3          1HB       ALA   3  -2.881  -0.490  -1.668
   18   2HB   ALA   3          2HB       ALA   3  -2.988  -0.174   0.064
   19   3HB   ALA   3          3HB       ALA   3  -2.903   1.171  -1.075
   20    H    ASP   4           H        ASP   4  -7.112  -0.850  -1.113
   21    HA   ASP   4           HA       ASP   4  -7.425  -1.825   1.478
   22   1HB   ASP   4          2HB       ASP   4  -9.295  -1.566  -0.087
   23   2HB   ASP   4          1HB       ASP   4  -8.654  -2.870  -1.084
   24    H    ASP   5           H        ASP   5  -5.775  -3.184  -1.271
   25    HA   ASP   5           HA       ASP   5  -5.646  -5.870  -0.501
   26   1HB   ASP   5          2HB       ASP   5  -4.972  -5.049  -2.727
   27   2HB   ASP   5          1HB       ASP   5  -3.583  -4.242  -2.007
   28    H    ASP   6           H        ASP   6  -4.299  -7.022   0.827
   29    HA   ASP   6           HA       ASP   6  -3.219  -5.818   3.078
   30   1HB   ASP   6          2HB       ASP   6  -2.545  -8.497   1.847
   31   2HB   ASP   6          1HB       ASP   6  -2.174  -8.009   3.492
   32    H    MET   7           H        MET   7  -1.857  -4.114   2.476
   33    HA   MET   7           HA       MET   7   0.879  -4.728   2.289
   34   1HB   MET   7          2HB       MET   7   1.363  -3.809   0.043
   35   2HB   MET   7          1HB       MET   7   0.417  -5.289  -0.022
   36   1HG   MET   7          2HG       MET   7  -1.607  -3.997  -0.405
   37   2HG   MET   7          1HG       MET   7  -0.680  -2.498  -0.307
   38   1HE   MET   7          1HE       MET   7  -2.407  -2.564  -2.259
   39   2HE   MET   7          2HE       MET   7  -2.128  -3.316  -3.831
   40   3HE   MET   7          3HE       MET   7  -1.330  -1.794  -3.427
   41    H    GLY   8           H        GLY   8   2.195  -2.916   2.585
   42   1HA   GLY   8          2HA       GLY   8   1.779  -0.283   2.199
   43   2HA   GLY   8          1HA       GLY   8   0.793  -0.601   3.618
   44    H    PHE   9           H        PHE   9   4.013  -0.285   2.370
   45    HA   PHE   9           HA       PHE   9   5.038   0.219   4.993
   46   1HB   PHE   9          2HB       PHE   9   6.778  -1.550   4.903
   47   2HB   PHE   9          1HB       PHE   9   5.144  -2.188   5.043
   48    HD1  PHE   9           1HD      PHE   9   7.535  -1.266   2.301
   49    HD2  PHE   9           2HD      PHE   9   4.659  -4.015   3.802
   50    HE1  PHE   9           1HE      PHE   9   7.891  -2.699   0.340
   51    HE2  PHE   9           2HE      PHE   9   5.011  -5.459   1.842
   52    HZ   PHE   9           HZ       PHE   9   6.630  -4.801   0.107
   53    H    GLY  10           H        GLY  10   7.764  -0.088   4.446
   54   1HA   GLY  10          2HA       GLY  10   8.320   2.279   3.065
   55   2HA   GLY  10          1HA       GLY  10   9.507   1.054   3.486
   56    H    LEU  11           H        LEU  11   7.238   2.138   1.058
   57    HA   LEU  11           HA       LEU  11   8.871   1.398  -1.101
   58   1HB   LEU  11          2HB       LEU  11   8.112  -0.865  -0.409
   59   2HB   LEU  11          1HB       LEU  11   6.454  -0.361  -0.685
   60   1HD1  LEU  11          1HD2      LEU  11   7.464  -2.490  -3.609
   61   2HD1  LEU  11          2HD2      LEU  11   6.337  -2.410  -2.254
   62   3HD1  LEU  11          3HD2      LEU  11   8.050  -2.707  -1.960
   63   1HD2  LEU  11          1HD1      LEU  11   6.348  -0.522  -4.211
   64   2HD2  LEU  11          2HD1      LEU  11   7.085   0.996  -3.698
   65   3HD2  LEU  11          3HD1      LEU  11   5.724   0.329  -2.797
   66    H    PHE  12           H        PHE  12   5.394   1.318  -0.507
   67    HA   PHE  12           HA       PHE  12   5.088   3.615  -2.322
   68   1HB   PHE  12          2HB       PHE  12   2.920   2.687  -3.023
   69   2HB   PHE  12          1HB       PHE  12   4.240   1.576  -3.381
   70    HD1  PHE  12           1HD      PHE  12   1.798   2.278  -0.635
   71    HD2  PHE  12           2HD      PHE  12   3.924  -0.639  -2.892
   72    HE1  PHE  12           1HE      PHE  12   0.634   0.491   0.583
   73    HE2  PHE  12           2HE      PHE  12   2.759  -2.430  -1.679
   74    HZ   PHE  12           HZ       PHE  12   1.113  -1.866   0.061
   75    H    ASP  13           H        ASP  13   4.918   2.684   0.809
   76    HA   ASP  13           HA       ASP  13   2.481   3.563   1.793
   77   1HB   ASP  13          2HB       ASP  13   3.653   3.900   3.931
   78   2HB   ASP  13          1HB       ASP  13   4.137   2.387   3.169
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1  -7.715   9.013  -3.076
    2   2H    GLU   1          2HT       GLU   1  -6.763   8.431  -1.772
    3   3H    GLU   1          3HT       GLU   1  -8.471   8.268  -1.730
    4    HA   GLU   1           HA       GLU   1  -8.227   6.931  -3.815
    5   1HB   GLU   1          2HB       GLU   1  -5.393   6.877  -2.756
    6   2HB   GLU   1          1HB       GLU   1  -6.011   5.862  -4.050
    7   1HG   GLU   1          2HG       GLU   1  -5.828   8.866  -4.115
    8   2HG   GLU   1          1HG       GLU   1  -4.712   7.748  -4.896
    9    H    GLU   2           H        GLU   2  -7.355   4.476  -3.432
   10    HA   GLU   2           HA       GLU   2  -7.938   3.750  -0.649
   11   1HB   GLU   2          2HB       GLU   2  -9.198   2.469  -3.081
   12   2HB   GLU   2          1HB       GLU   2  -9.368   1.891  -1.431
   13   1HG   GLU   2          2HG       GLU   2 -11.338   3.078  -1.953
   14   2HG   GLU   2          1HG       GLU   2 -10.404   4.096  -0.859
   15    H    ALA   3           H        ALA   3  -7.694   1.152  -0.577
   16    HA   ALA   3           HA       ALA   3  -5.751  -0.045  -2.223
   17   1HB   ALA   3          1HB       ALA   3  -3.985   1.166  -1.465
   18   2HB   ALA   3          2HB       ALA   3  -4.013  -0.066  -0.203
   19   3HB   ALA   3          3HB       ALA   3  -4.745   1.511   0.089
   20    H    ASP   4           H        ASP   4  -7.680  -1.446  -1.815
   21    HA   ASP   4           HA       ASP   4  -8.200  -2.640   0.664
   22   1HB   ASP   4          2HB       ASP   4  -9.750  -2.785  -1.231
   23   2HB   ASP   4          1HB       ASP   4  -8.595  -3.781  -2.112
   24    H    ASP   5           H        ASP   5  -5.794  -3.317  -1.774
   25    HA   ASP   5           HA       ASP   5  -5.051  -5.895  -0.857
   26   1HB   ASP   5          2HB       ASP   5  -4.472  -5.091  -3.102
   27   2HB   ASP   5          1HB       ASP   5  -3.438  -3.849  -2.401
   28    H    ASP   6           H        ASP   6  -3.755  -6.522   0.766
   29    HA   ASP   6           HA       ASP   6  -3.048  -4.794   2.832
   30   1HB   ASP   6          2HB       ASP   6  -1.958  -7.534   2.163
   31   2HB   ASP   6          1HB       ASP   6  -1.776  -6.716   3.705
   32    H    MET   7           H        MET   7  -1.400  -3.438   3.088
   33    HA   MET   7           HA       MET   7   1.250  -3.940   2.310
   34   1HB   MET   7          2HB       MET   7   1.508  -2.294   0.501
   35   2HB   MET   7          1HB       MET   7   0.433  -3.606   0.039
   36   1HG   MET   7          2HG       MET   7  -1.500  -2.182   0.482
   37   2HG   MET   7          1HG       MET   7  -0.420  -0.865   0.946
   38   1HE   MET   7          1HE       MET   7  -2.685  -0.577  -1.828
   39   2HE   MET   7          2HE       MET   7  -1.560   0.732  -2.190
   40   3HE   MET   7          3HE       MET   7  -1.975   0.363  -0.516
   41    H    GLY   8           H        GLY   8   2.656  -1.987   2.591
   42   1HA   GLY   8          2HA       GLY   8   2.268   0.470   3.395
   43   2HA   GLY   8          1HA       GLY   8   1.555  -0.361   4.769
   44    H    PHE   9           H        PHE   9   4.551  -0.289   2.842
   45    HA   PHE   9           HA       PHE   9   6.109  -0.099   5.243
   46   1HB   PHE   9          2HB       PHE   9   7.482  -2.128   4.700
   47   2HB   PHE   9          1HB       PHE   9   5.838  -2.469   5.216
   48    HD1  PHE   9           1HD      PHE   9   7.796  -2.000   2.057
   49    HD2  PHE   9           2HD      PHE   9   4.601  -3.979   4.050
   50    HE1  PHE   9           1HE      PHE   9   7.414  -3.378   0.062
   51    HE2  PHE   9           2HE      PHE   9   4.217  -5.368   2.057
   52    HZ   PHE   9           HZ       PHE   9   5.625  -5.068   0.060
   53    H    GLY  10           H        GLY  10   8.512  -1.115   3.653
   54   1HA   GLY  10          2HA       GLY  10   9.366   1.368   2.728
   55   2HA   GLY  10          1HA       GLY  10  10.147  -0.160   2.372
   56    H    LEU  11           H        LEU  11   7.054  -0.451   1.198
   57    HA   LEU  11           HA       LEU  11   7.903  -0.277  -1.494
   58   1HB   LEU  11          2HB       LEU  11   6.116  -1.794  -0.680
   59   2HB   LEU  11          1HB       LEU  11   5.089  -0.398  -0.405
   60   1HD1  LEU  11          1HD2      LEU  11   4.202  -2.362  -3.547
   61   2HD1  LEU  11          2HD2      LEU  11   3.298  -1.522  -2.288
   62   3HD1  LEU  11          3HD2      LEU  11   4.467  -2.768  -1.851
   63   1HD2  LEU  11          1HD1      LEU  11   3.958   0.272  -3.585
   64   2HD2  LEU  11          2HD1      LEU  11   5.607   0.895  -3.573
   65   3HD2  LEU  11          3HD1      LEU  11   4.590   1.065  -2.142
   66    H    PHE  12           H        PHE  12   6.060   1.826   0.612
   67    HA   PHE  12           HA       PHE  12   6.571   4.053  -1.191
   68   1HB   PHE  12          2HB       PHE  12   4.200   4.817  -1.055
   69   2HB   PHE  12          1HB       PHE  12   4.410   3.322  -1.964
   70    HD1  PHE  12           1HD      PHE  12   3.782   4.338   1.592
   71    HD2  PHE  12           2HD      PHE  12   2.829   1.718  -1.624
   72    HE1  PHE  12           1HE      PHE  12   2.094   3.237   2.995
   73    HE2  PHE  12           2HE      PHE  12   1.135   0.614  -0.225
   74    HZ   PHE  12           HZ       PHE  12   0.765   1.373   2.088
   75    H    ASP  13           H        ASP  13   7.268   3.060   1.607
   76    HA   ASP  13           HA       ASP  13   6.138   4.588   3.602
   77   1HB   ASP  13          2HB       ASP  13   8.264   4.340   4.810
   78   2HB   ASP  13          1HB       ASP  13   7.796   2.832   4.029
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1  -7.761   8.822  -2.861
    2   2H    GLU   1          2HT       GLU   1  -8.020   8.682  -1.171
    3   3H    GLU   1          3HT       GLU   1  -8.766   7.576  -2.249
    4    HA   GLU   1           HA       GLU   1  -6.496   6.919  -2.951
    5   1HB   GLU   1          2HB       GLU   1  -5.850   8.429  -0.409
    6   2HB   GLU   1          1HB       GLU   1  -4.723   7.418  -1.303
    7   1HG   GLU   1          2HG       GLU   1  -6.035   9.920  -2.342
    8   2HG   GLU   1          1HG       GLU   1  -4.382   9.794  -1.745
    9    H    GLU   2           H        GLU   2  -6.717   4.817  -2.593
   10    HA   GLU   2           HA       GLU   2  -7.217   3.892   0.146
   11   1HB   GLU   2          2HB       GLU   2  -8.623   2.859  -2.325
   12   2HB   GLU   2          1HB       GLU   2  -8.752   2.156  -0.720
   13   1HG   GLU   2          2HG       GLU   2 -10.691   3.456  -1.063
   14   2HG   GLU   2          1HG       GLU   2  -9.674   4.345   0.068
   15    H    ALA   3           H        ALA   3  -7.095   1.278  -0.024
   16    HA   ALA   3           HA       ALA   3  -5.251   0.160  -1.831
   17   1HB   ALA   3          1HB       ALA   3  -3.211   0.327  -0.851
   18   2HB   ALA   3          2HB       ALA   3  -3.877   0.405   0.779
   19   3HB   ALA   3          3HB       ALA   3  -3.903   1.834  -0.253
   20    H    ASP   4           H        ASP   4  -7.222  -1.197  -1.494
   21    HA   ASP   4           HA       ASP   4  -7.728  -2.591   0.882
   22   1HB   ASP   4          2HB       ASP   4  -9.329  -2.504  -0.975
   23   2HB   ASP   4          1HB       ASP   4  -8.238  -3.459  -1.973
   24    H    ASP   5           H        ASP   5  -5.411  -3.134  -1.672
   25    HA   ASP   5           HA       ASP   5  -4.754  -5.806  -1.145
   26   1HB   ASP   5          2HB       ASP   5  -4.008  -4.626  -3.163
   27   2HB   ASP   5          1HB       ASP   5  -2.981  -3.583  -2.185
   28    H    ASP   6           H        ASP   6  -3.584  -6.780   0.400
   29    HA   ASP   6           HA       ASP   6  -2.952  -5.499   2.792
   30   1HB   ASP   6          2HB       ASP   6  -1.910  -8.111   1.680
   31   2HB   ASP   6          1HB       ASP   6  -1.800  -7.603   3.356
   32    H    MET   7           H        MET   7  -1.676  -3.674   2.292
   33    HA   MET   7           HA       MET   7   1.127  -4.130   2.424
   34   1HB   MET   7          2HB       MET   7   1.761  -3.034   0.316
   35   2HB   MET   7          1HB       MET   7   0.874  -4.525   0.033
   36   1HG   MET   7          2HG       MET   7  -1.154  -3.240  -0.404
   37   2HG   MET   7          1HG       MET   7  -0.263  -1.742  -0.119
   38   1HE   MET   7          1HE       MET   7  -1.737  -1.515  -2.159
   39   2HE   MET   7          2HE       MET   7  -1.536  -2.395  -3.675
   40   3HE   MET   7          3HE       MET   7  -0.643  -0.900  -3.397
   41    H    GLY   8           H        GLY   8   2.358  -2.093   2.545
   42   1HA   GLY   8          2HA       GLY   8   1.669   0.463   2.444
   43   2HA   GLY   8          1HA       GLY   8   0.727  -0.046   3.837
   44    H    PHE   9           H        PHE   9   4.053  -0.126   2.570
   45    HA   PHE   9           HA       PHE   9   5.046   0.858   5.075
   46   1HB   PHE   9          2HB       PHE   9   6.632  -1.064   5.381
   47   2HB   PHE   9          1HB       PHE   9   4.940  -1.455   5.652
   48    HD1  PHE   9           1HD      PHE   9   7.496  -1.581   2.914
   49    HD2  PHE   9           2HD      PHE   9   4.081  -3.351   4.734
   50    HE1  PHE   9           1HE      PHE   9   7.638  -3.459   1.341
   51    HE2  PHE   9           2HE      PHE   9   4.223  -5.238   3.164
   52    HZ   PHE   9           HZ       PHE   9   6.004  -5.295   1.466
   53    H    GLY  10           H        GLY  10   7.794  -0.237   4.310
   54   1HA   GLY  10          2HA       GLY  10   8.666   2.010   2.916
   55   2HA   GLY  10          1HA       GLY  10   9.601   0.546   3.148
   56    H    LEU  11           H        LEU  11   6.856  -0.402   1.537
   57    HA   LEU  11           HA       LEU  11   8.249  -0.825  -0.887
   58   1HB   LEU  11          2HB       LEU  11   6.430  -2.285  -0.040
   59   2HB   LEU  11          1HB       LEU  11   5.281  -0.998  -0.359
   60   1HD1  LEU  11          1HD2      LEU  11   4.471  -3.166  -3.031
   61   2HD1  LEU  11          2HD2      LEU  11   4.329  -3.035  -1.279
   62   3HD1  LEU  11          3HD2      LEU  11   5.562  -4.079  -1.988
   63   1HD2  LEU  11          1HD1      LEU  11   4.817  -1.305  -3.755
   64   2HD2  LEU  11          2HD1      LEU  11   6.382  -0.508  -3.603
   65   3HD2  LEU  11          3HD1      LEU  11   5.073  -0.100  -2.495
   66    H    PHE  12           H        PHE  12   5.865   1.513   0.169
   67    HA   PHE  12           HA       PHE  12   6.607   3.247  -2.046
   68   1HB   PHE  12          2HB       PHE  12   4.220   3.732  -2.577
   69   2HB   PHE  12          1HB       PHE  12   4.715   2.089  -2.982
   70    HD1  PHE  12           1HD      PHE  12   3.275   3.900  -0.030
   71    HD2  PHE  12           2HD      PHE  12   3.204   0.448  -2.519
   72    HE1  PHE  12           1HE      PHE  12   1.397   3.002   1.276
   73    HE2  PHE  12           2HE      PHE  12   1.324  -0.454  -1.218
   74    HZ   PHE  12           HZ       PHE  12   0.417   0.823   0.683
   75    H    ASP  13           H        ASP  13   6.750   3.094   0.997
   76    HA   ASP  13           HA       ASP  13   5.123   4.936   2.243
   77   1HB   ASP  13          2HB       ASP  13   6.951   5.262   3.852
   78   2HB   ASP  13          1HB       ASP  13   6.760   3.559   3.443
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1  -7.163   9.295  -1.854
    2   2H    GLU   1          2HT       GLU   1  -6.498   8.768  -0.363
    3   3H    GLU   1          3HT       GLU   1  -8.111   8.355  -0.780
    4    HA   GLU   1           HA       GLU   1  -7.130   7.218  -2.765
    5   1HB   GLU   1          2HB       GLU   1  -4.693   7.501  -0.993
    6   2HB   GLU   1          1HB       GLU   1  -4.788   6.501  -2.435
    7   1HG   GLU   1          2HG       GLU   1  -5.072   9.497  -2.358
    8   2HG   GLU   1          1HG       GLU   1  -3.629   8.610  -2.849
    9    H    GLU   2           H        GLU   2  -6.640   4.877  -2.531
   10    HA   GLU   2           HA       GLU   2  -7.261   3.842   0.144
   11   1HB   GLU   2          2HB       GLU   2  -8.570   2.932  -2.428
   12   2HB   GLU   2          1HB       GLU   2  -8.775   2.164  -0.861
   13   1HG   GLU   2          2HG       GLU   2 -10.683   3.500  -1.230
   14   2HG   GLU   2          1HG       GLU   2  -9.708   4.327  -0.019
   15    H    ALA   3           H        ALA   3  -7.096   1.274  -0.032
   16    HA   ALA   3           HA       ALA   3  -5.252   0.154  -1.838
   17   1HB   ALA   3          1HB       ALA   3  -3.212   0.322  -0.859
   18   2HB   ALA   3          2HB       ALA   3  -3.877   0.402   0.773
   19   3HB   ALA   3          3HB       ALA   3  -3.904   1.831  -0.261
   20    H    ASP   4           H        ASP   4  -7.223  -1.203  -1.499
   21    HA   ASP   4           HA       ASP   4  -7.729  -2.593   0.879
   22   1HB   ASP   4          2HB       ASP   4  -9.330  -2.509  -0.978
   23   2HB   ASP   4          1HB       ASP   4  -8.238  -3.466  -1.975
   24    H    ASP   5           H        ASP   5  -5.411  -3.140  -1.673
   25    HA   ASP   5           HA       ASP   5  -4.754  -5.810  -1.143
   26   1HB   ASP   5          2HB       ASP   5  -4.007  -4.634  -3.162
   27   2HB   ASP   5          1HB       ASP   5  -2.980  -3.590  -2.186
   28    H    ASP   6           H        ASP   6  -3.584  -6.783   0.404
   29    HA   ASP   6           HA       ASP   6  -2.954  -5.498   2.795
   30   1HB   ASP   6          2HB       ASP   6  -1.910  -8.111   1.687
   31   2HB   ASP   6          1HB       ASP   6  -1.800  -7.601   3.362
   32    H    MET   7           H        MET   7  -1.678  -3.673   2.292
   33    HA   MET   7           HA       MET   7   1.126  -4.129   2.426
   34   1HB   MET   7          2HB       MET   7   1.760  -3.035   0.317
   35   2HB   MET   7          1HB       MET   7   0.873  -4.527   0.035
   36   1HG   MET   7          2HG       MET   7  -1.156  -3.241  -0.403
   37   2HG   MET   7          1HG       MET   7  -0.264  -1.743  -0.120
   38   1HE   MET   7          1HE       MET   7  -1.659  -2.454  -3.519
   39   2HE   MET   7          2HE       MET   7  -0.634  -1.020  -3.567
   40   3HE   MET   7          3HE       MET   7  -1.626  -1.347  -2.147
   41    H    GLY   8           H        GLY   8   2.357  -2.090   2.544
   42   1HA   GLY   8          2HA       GLY   8   1.667   0.464   2.440
   43   2HA   GLY   8          1HA       GLY   8   0.724  -0.042   3.834
   44    H    PHE   9           H        PHE   9   4.051  -0.124   2.569
   45    HA   PHE   9           HA       PHE   9   5.042   0.862   5.073
   46   1HB   PHE   9          2HB       PHE   9   6.628  -1.059   5.382
   47   2HB   PHE   9          1HB       PHE   9   4.936  -1.449   5.651
   48    HD1  PHE   9           1HD      PHE   9   7.493  -1.578   2.916
   49    HD2  PHE   9           2HD      PHE   9   4.078  -3.346   4.736
   50    HE1  PHE   9           1HE      PHE   9   7.636  -3.458   1.345
   51    HE2  PHE   9           2HE      PHE   9   4.221  -5.236   3.169
   52    HZ   PHE   9           HZ       PHE   9   6.002  -5.294   1.471
   53    H    GLY  10           H        GLY  10   7.790  -0.233   4.311
   54   1HA   GLY  10          2HA       GLY  10   8.663   2.013   2.915
   55   2HA   GLY  10          1HA       GLY  10   9.598   0.550   3.149
   56    H    LEU  11           H        LEU  11   6.855  -0.401   1.538
   57    HA   LEU  11           HA       LEU  11   8.248  -0.826  -0.886
   58   1HB   LEU  11          2HB       LEU  11   6.429  -2.286  -0.038
   59   2HB   LEU  11          1HB       LEU  11   5.280  -0.998  -0.359
   60   1HD1  LEU  11          1HD2      LEU  11   4.461  -3.161  -3.023
   61   2HD1  LEU  11          2HD2      LEU  11   4.338  -3.046  -1.268
   62   3HD1  LEU  11          3HD2      LEU  11   5.563  -4.083  -2.000
   63   1HD2  LEU  11          1HD1      LEU  11   4.818  -1.310  -3.754
   64   2HD2  LEU  11          2HD1      LEU  11   6.384  -0.512  -3.603
   65   3HD2  LEU  11          3HD1      LEU  11   5.074  -0.103  -2.495
   66    H    PHE  12           H        PHE  12   5.865   1.512   0.167
   67    HA   PHE  12           HA       PHE  12   6.607   3.244  -2.049
   68   1HB   PHE  12          2HB       PHE  12   4.219   3.728  -2.582
   69   2HB   PHE  12          1HB       PHE  12   4.715   2.086  -2.985
   70    HD1  PHE  12           1HD      PHE  12   3.273   3.900  -0.035
   71    HD2  PHE  12           2HD      PHE  12   3.204   0.446  -2.522
   72    HE1  PHE  12           1HE      PHE  12   1.397   3.003   1.270
   73    HE2  PHE  12           2HE      PHE  12   1.324  -0.456  -1.220
   74    HZ   PHE  12           HZ       PHE  12   0.417   0.823   0.678
   75    H    ASP  13           H        ASP  13   6.748   3.095   0.992
   76    HA   ASP  13           HA       ASP  13   5.121   4.937   2.237
   77   1HB   ASP  13          2HB       ASP  13   6.947   5.266   3.846
   78   2HB   ASP  13          1HB       ASP  13   6.757   3.563   3.439
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1  -7.650   9.033  -2.510
    2   2H    GLU   1          2HT       GLU   1  -7.404   8.851  -0.822
    3   3H    GLU   1          3HT       GLU   1  -8.648   7.970  -1.609
    4    HA   GLU   1           HA       GLU   1  -6.835   6.973  -2.994
    5   1HB   GLU   1          2HB       GLU   1  -5.249   8.081  -0.667
    6   2HB   GLU   1          1HB       GLU   1  -4.630   6.966  -1.877
    7   1HG   GLU   1          2HG       GLU   1  -5.616   9.760  -2.411
    8   2HG   GLU   1          1HG       GLU   1  -3.928   9.265  -2.297
    9    H    GLU   2           H        GLU   2  -6.723   4.818  -2.597
   10    HA   GLU   2           HA       GLU   2  -7.224   3.889   0.143
   11   1HB   GLU   2          2HB       GLU   2  -8.623   2.859  -2.334
   12   2HB   GLU   2          1HB       GLU   2  -8.756   2.155  -0.729
   13   1HG   GLU   2          2HG       GLU   2 -10.694   3.455  -1.077
   14   2HG   GLU   2          1HG       GLU   2  -9.680   4.342   0.059
   15    H    ALA   3           H        ALA   3  -7.098   1.278  -0.027
   16    HA   ALA   3           HA       ALA   3  -5.252   0.159  -1.832
   17   1HB   ALA   3          1HB       ALA   3  -3.880   0.407   0.780
   18   2HB   ALA   3          2HB       ALA   3  -3.905   1.835  -0.254
   19   3HB   ALA   3          3HB       ALA   3  -3.212   0.327  -0.851
   20    H    ASP   4           H        ASP   4  -7.224  -1.198  -1.495
   21    HA   ASP   4           HA       ASP   4  -7.729  -2.591   0.881
   22   1HB   ASP   4          2HB       ASP   4  -9.329  -2.506  -0.976
   23   2HB   ASP   4          1HB       ASP   4  -8.238  -3.461  -1.974
   24    H    ASP   5           H        ASP   5  -5.412  -3.135  -1.673
   25    HA   ASP   5           HA       ASP   5  -4.754  -5.806  -1.144
   26   1HB   ASP   5          2HB       ASP   5  -4.007  -4.627  -3.162
   27   2HB   ASP   5          1HB       ASP   5  -2.981  -3.583  -2.185
   28    H    ASP   6           H        ASP   6  -3.584  -6.780   0.402
   29    HA   ASP   6           HA       ASP   6  -2.953  -5.497   2.792
   30   1HB   ASP   6          2HB       ASP   6  -1.911  -8.110   1.682
   31   2HB   ASP   6          1HB       ASP   6  -1.801  -7.601   3.358
   32    H    MET   7           H        MET   7  -1.677  -3.673   2.291
   33    HA   MET   7           HA       MET   7   1.126  -4.130   2.422
   34   1HB   MET   7          2HB       MET   7   1.761  -3.032   0.315
   35   2HB   MET   7          1HB       MET   7   0.872  -4.522   0.032
   36   1HG   MET   7          2HG       MET   7  -1.156  -3.235  -0.403
   37   2HG   MET   7          1HG       MET   7  -0.264  -1.739  -0.117
   38   1HE   MET   7          1HE       MET   7  -1.686  -1.425  -2.144
   39   2HE   MET   7          2HE       MET   7  -1.600  -2.418  -3.599
   40   3HE   MET   7          3HE       MET   7  -0.637  -0.946  -3.478
   41    H    GLY   8           H        GLY   8   2.359  -2.093   2.545
   42   1HA   GLY   8          2HA       GLY   8   1.671   0.462   2.447
   43   2HA   GLY   8          1HA       GLY   8   0.729  -0.047   3.841
   44    H    PHE   9           H        PHE   9   4.055  -0.127   2.571
   45    HA   PHE   9           HA       PHE   9   5.049   0.854   5.076
   46   1HB   PHE   9          2HB       PHE   9   6.635  -1.068   5.379
   47   2HB   PHE   9          1HB       PHE   9   4.942  -1.459   5.650
   48    HD1  PHE   9           1HD      PHE   9   7.496  -1.582   2.911
   49    HD2  PHE   9           2HD      PHE   9   4.084  -3.354   4.731
   50    HE1  PHE   9           1HE      PHE   9   7.637  -3.460   1.336
   51    HE2  PHE   9           2HE      PHE   9   4.223  -5.240   3.160
   52    HZ   PHE   9           HZ       PHE   9   6.002  -5.295   1.460
   53    H    GLY  10           H        GLY  10   7.796  -0.241   4.308
   54   1HA   GLY  10          2HA       GLY  10   8.668   2.007   2.916
   55   2HA   GLY  10          1HA       GLY  10   9.603   0.543   3.147
   56    H    LEU  11           H        LEU  11   6.857  -0.403   1.536
   57    HA   LEU  11           HA       LEU  11   8.248  -0.823  -0.890
   58   1HB   LEU  11          2HB       LEU  11   6.429  -2.284  -0.043
   59   2HB   LEU  11          1HB       LEU  11   5.280  -0.996  -0.360
   60   1HD1  LEU  11          1HD2      LEU  11   5.404  -3.942  -1.483
   61   2HD1  LEU  11          2HD2      LEU  11   4.882  -3.512  -3.113
   62   3HD1  LEU  11          3HD2      LEU  11   4.067  -2.815  -1.712
   63   1HD2  LEU  11          1HD1      LEU  11   4.815  -1.299  -3.756
   64   2HD2  LEU  11          2HD1      LEU  11   6.380  -0.502  -3.604
   65   3HD2  LEU  11          3HD1      LEU  11   5.071  -0.095  -2.494
   66    H    PHE  12           H        PHE  12   5.867   1.513   0.171
   67    HA   PHE  12           HA       PHE  12   6.607   3.250  -2.043
   68   1HB   PHE  12          2HB       PHE  12   4.219   3.737  -2.572
   69   2HB   PHE  12          1HB       PHE  12   4.713   2.095  -2.979
   70    HD1  PHE  12           1HD      PHE  12   3.276   3.902  -0.024
   71    HD2  PHE  12           2HD      PHE  12   3.202   0.454  -2.518
   72    HE1  PHE  12           1HE      PHE  12   1.399   3.003   1.282
   73    HE2  PHE  12           2HE      PHE  12   1.323  -0.449  -1.215
   74    HZ   PHE  12           HZ       PHE  12   0.418   0.825   0.687
   75    H    ASP  13           H        ASP  13   6.752   3.094   0.999
   76    HA   ASP  13           HA       ASP  13   5.125   4.935   2.249
   77   1HB   ASP  13          2HB       ASP  13   6.955   5.259   3.857
   78   2HB   ASP  13          1HB       ASP  13   6.763   3.557   3.445
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1  -7.743   8.721  -2.996
    2   2H    GLU   1          2HT       GLU   1  -8.237   8.563  -1.360
    3   3H    GLU   1          3HT       GLU   1  -8.706   7.385  -2.517
    4    HA   GLU   1           HA       GLU   1  -6.314   6.934  -2.862
    5   1HB   GLU   1          2HB       GLU   1  -6.173   8.542  -0.302
    6   2HB   GLU   1          1HB       GLU   1  -4.843   7.627  -1.001
    7   1HG   GLU   1          2HG       GLU   1  -6.220   9.975  -2.286
    8   2HG   GLU   1          1HG       GLU   1  -4.662  10.017  -1.464
    9    H    GLU   2           H        GLU   2  -6.703   4.829  -2.584
   10    HA   GLU   2           HA       GLU   2  -7.233   3.880   0.142
   11   1HB   GLU   2          2HB       GLU   2  -8.614   2.872  -2.354
   12   2HB   GLU   2          1HB       GLU   2  -8.761   2.155  -0.756
   13   1HG   GLU   2          2HG       GLU   2 -10.694   3.461  -1.109
   14   2HG   GLU   2          1HG       GLU   2  -9.688   4.337   0.041
   15    H    ALA   3           H        ALA   3  -7.099   1.276  -0.029
   16    HA   ALA   3           HA       ALA   3  -5.252   0.159  -1.832
   17   1HB   ALA   3          1HB       ALA   3  -3.881   0.407   0.780
   18   2HB   ALA   3          2HB       ALA   3  -3.907   1.835  -0.254
   19   3HB   ALA   3          3HB       ALA   3  -3.213   0.328  -0.851
   20    H    ASP   4           H        ASP   4  -7.223  -1.199  -1.497
   21    HA   ASP   4           HA       ASP   4  -7.729  -2.591   0.880
   22   1HB   ASP   4          2HB       ASP   4  -9.329  -2.506  -0.977
   23   2HB   ASP   4          1HB       ASP   4  -8.237  -3.463  -1.975
   24    H    ASP   5           H        ASP   5  -5.411  -3.135  -1.673
   25    HA   ASP   5           HA       ASP   5  -4.753  -5.806  -1.145
   26   1HB   ASP   5          2HB       ASP   5  -4.007  -4.628  -3.162
   27   2HB   ASP   5          1HB       ASP   5  -2.980  -3.584  -2.185
   28    H    ASP   6           H        ASP   6  -3.583  -6.779   0.402
   29    HA   ASP   6           HA       ASP   6  -2.953  -5.497   2.793
   30   1HB   ASP   6          2HB       ASP   6  -1.911  -8.109   1.684
   31   2HB   ASP   6          1HB       ASP   6  -1.800  -7.600   3.359
   32    H    MET   7           H        MET   7  -1.678  -3.672   2.290
   33    HA   MET   7           HA       MET   7   1.127  -4.129   2.423
   34   1HB   MET   7          2HB       MET   7   1.760  -3.032   0.316
   35   2HB   MET   7          1HB       MET   7   0.873  -4.523   0.032
   36   1HG   MET   7          2HG       MET   7  -1.156  -3.236  -0.402
   37   2HG   MET   7          1HG       MET   7  -0.263  -1.739  -0.117
   38   1HE   MET   7          1HE       MET   7  -1.885  -1.798  -2.260
   39   2HE   MET   7          2HE       MET   7  -1.318  -2.225  -3.874
   40   3HE   MET   7          3HE       MET   7  -0.720  -0.765  -3.087
   41    H    GLY   8           H        GLY   8   2.359  -2.092   2.545
   42   1HA   GLY   8          2HA       GLY   8   1.670   0.463   2.447
   43   2HA   GLY   8          1HA       GLY   8   0.729  -0.046   3.841
   44    H    PHE   9           H        PHE   9   4.054  -0.127   2.572
   45    HA   PHE   9           HA       PHE   9   5.050   0.855   5.076
   46   1HB   PHE   9          2HB       PHE   9   6.635  -1.067   5.380
   47   2HB   PHE   9          1HB       PHE   9   4.942  -1.458   5.651
   48    HD1  PHE   9           1HD      PHE   9   7.496  -1.582   2.911
   49    HD2  PHE   9           2HD      PHE   9   4.083  -3.353   4.733
   50    HE1  PHE   9           1HE      PHE   9   7.637  -3.459   1.336
   51    HE2  PHE   9           2HE      PHE   9   4.223  -5.239   3.161
   52    HZ   PHE   9           HZ       PHE   9   6.001  -5.295   1.461
   53    H    GLY  10           H        GLY  10   7.795  -0.240   4.309
   54   1HA   GLY  10          2HA       GLY  10   8.667   2.007   2.916
   55   2HA   GLY  10          1HA       GLY  10   9.603   0.544   3.147
   56    H    LEU  11           H        LEU  11   6.856  -0.404   1.537
   57    HA   LEU  11           HA       LEU  11   8.247  -0.824  -0.890
   58   1HB   LEU  11          2HB       LEU  11   6.428  -2.284  -0.042
   59   2HB   LEU  11          1HB       LEU  11   5.279  -0.996  -0.360
   60   1HD1  LEU  11          1HD2      LEU  11   4.636  -3.305  -3.102
   61   2HD1  LEU  11          2HD2      LEU  11   4.196  -2.923  -1.437
   62   3HD1  LEU  11          3HD2      LEU  11   5.519  -4.042  -1.766
   63   1HD2  LEU  11          1HD1      LEU  11   4.813  -1.300  -3.755
   64   2HD2  LEU  11          2HD1      LEU  11   6.379  -0.504  -3.604
   65   3HD2  LEU  11          3HD1      LEU  11   5.071  -0.096  -2.494
   66    H    PHE  12           H        PHE  12   5.866   1.513   0.171
   67    HA   PHE  12           HA       PHE  12   6.607   3.249  -2.044
   68   1HB   PHE  12          2HB       PHE  12   4.219   3.736  -2.573
   69   2HB   PHE  12          1HB       PHE  12   4.713   2.093  -2.979
   70    HD1  PHE  12           1HD      PHE  12   3.275   3.903  -0.025
   71    HD2  PHE  12           2HD      PHE  12   3.201   0.453  -2.517
   72    HE1  PHE  12           1HE      PHE  12   1.400   3.004   1.281
   73    HE2  PHE  12           2HE      PHE  12   1.322  -0.449  -1.214
   74    HZ   PHE  12           HZ       PHE  12   0.418   0.826   0.687
   75    H    ASP  13           H        ASP  13   6.751   3.094   0.998
   76    HA   ASP  13           HA       ASP  13   5.126   4.936   2.248
   77   1HB   ASP  13          2HB       ASP  13   6.955   5.260   3.855
   78   2HB   ASP  13          1HB       ASP  13   6.763   3.557   3.445
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1  -8.057   9.035  -2.452
    2   2H    GLU   1          2HT       GLU   1  -7.798   8.819  -0.768
    3   3H    GLU   1          3HT       GLU   1  -9.032   7.935  -1.569
    4    HA   GLU   1           HA       GLU   1  -7.215   6.995  -2.984
    5   1HB   GLU   1          2HB       GLU   1  -5.626   8.087  -0.650
    6   2HB   GLU   1          1HB       GLU   1  -5.000   7.006  -1.886
    7   1HG   GLU   1          2HG       GLU   1  -6.039   9.791  -2.358
    8   2HG   GLU   1          1HG       GLU   1  -4.342   9.325  -2.269
    9    H    GLU   2           H        GLU   2  -6.972   4.833  -2.604
   10    HA   GLU   2           HA       GLU   2  -7.494   3.851   0.111
   11   1HB   GLU   2          2HB       GLU   2  -8.810   2.800  -2.401
   12   2HB   GLU   2          1HB       GLU   2  -8.942   2.070  -0.810
   13   1HG   GLU   2          2HG       GLU   2 -10.923   3.299  -1.175
   14   2HG   GLU   2          1HG       GLU   2  -9.964   4.211  -0.012
   15    H    ALA   3           H        ALA   3  -7.268   1.246  -0.092
   16    HA   ALA   3           HA       ALA   3  -5.345   0.226  -1.875
   17   1HB   ALA   3          1HB       ALA   3  -3.333   0.430  -0.832
   18   2HB   ALA   3          2HB       ALA   3  -4.049   0.513   0.779
   19   3HB   ALA   3          3HB       ALA   3  -4.082   1.926  -0.276
   20    H    ASP   4           H        ASP   4  -7.271  -1.209  -1.597
   21    HA   ASP   4           HA       ASP   4  -7.769  -2.656   0.749
   22   1HB   ASP   4          2HB       ASP   4  -9.337  -2.601  -1.136
   23   2HB   ASP   4          1HB       ASP   4  -8.193  -3.500  -2.127
   24    H    ASP   5           H        ASP   5  -5.387  -3.074  -1.769
   25    HA   ASP   5           HA       ASP   5  -4.639  -5.727  -1.267
   26   1HB   ASP   5          2HB       ASP   5  -3.902  -4.493  -3.254
   27   2HB   ASP   5          1HB       ASP   5  -2.933  -3.425  -2.243
   28    H    ASP   6           H        ASP   6  -3.596  -6.664   0.370
   29    HA   ASP   6           HA       ASP   6  -2.974  -5.333   2.737
   30   1HB   ASP   6          2HB       ASP   6  -1.991  -8.007   1.722
   31   2HB   ASP   6          1HB       ASP   6  -1.898  -7.453   3.385
   32    H    MET   7           H        MET   7  -1.580  -3.619   2.463
   33    HA   MET   7           HA       MET   7   1.176  -4.132   2.601
   34   1HB   MET   7          2HB       MET   7   1.926  -3.143   0.479
   35   2HB   MET   7          1HB       MET   7   1.000  -4.614   0.219
   36   1HG   MET   7          2HG       MET   7  -0.966  -3.282  -0.346
   37   2HG   MET   7          1HG       MET   7  -0.036  -1.805  -0.085
   38   1HE   MET   7          1HE       MET   7  -1.166  -1.279  -2.204
   39   2HE   MET   7          2HE       MET   7  -1.447  -2.611  -3.325
   40   3HE   MET   7          3HE       MET   7  -0.270  -1.359  -3.721
   41    H    GLY   8           H        GLY   8   2.427  -2.225   2.949
   42   1HA   GLY   8          2HA       GLY   8   1.759   0.392   2.640
   43   2HA   GLY   8          1HA       GLY   8   0.869  -0.081   4.078
   44    H    PHE   9           H        PHE   9   4.143  -0.170   2.688
   45    HA   PHE   9           HA       PHE   9   5.226   0.849   5.141
   46   1HB   PHE   9          2HB       PHE   9   6.835  -1.059   5.406
   47   2HB   PHE   9          1HB       PHE   9   5.157  -1.457   5.747
   48    HD1  PHE   9           1HD      PHE   9   7.605  -1.599   2.914
   49    HD2  PHE   9           2HD      PHE   9   4.277  -3.369   4.885
   50    HE1  PHE   9           1HE      PHE   9   7.699  -3.495   1.357
   51    HE2  PHE   9           2HE      PHE   9   4.369  -5.274   3.334
   52    HZ   PHE   9           HZ       PHE   9   6.082  -5.339   1.567
   53    H    GLY  10           H        GLY  10   7.948  -0.238   4.283
   54   1HA   GLY  10          2HA       GLY  10   8.751   1.998   2.830
   55   2HA   GLY  10          1HA       GLY  10   9.704   0.543   3.042
   56    H    LEU  11           H        LEU  11   6.906  -0.441   1.550
   57    HA   LEU  11           HA       LEU  11   8.206  -0.883  -0.922
   58   1HB   LEU  11          2HB       LEU  11   6.430  -2.344   0.013
   59   2HB   LEU  11          1HB       LEU  11   5.261  -1.067  -0.277
   60   1HD1  LEU  11          1HD2      LEU  11   4.533  -3.418  -2.966
   61   2HD1  LEU  11          2HD2      LEU  11   4.146  -3.012  -1.293
   62   3HD1  LEU  11          3HD2      LEU  11   5.465  -4.127  -1.647
   63   1HD2  LEU  11          1HD1      LEU  11   4.668  -1.416  -3.648
   64   2HD2  LEU  11          2HD1      LEU  11   6.234  -0.608  -3.567
   65   3HD2  LEU  11          3HD1      LEU  11   4.966  -0.194  -2.413
   66    H    PHE  12           H        PHE  12   5.851   1.451   0.200
   67    HA   PHE  12           HA       PHE  12   6.496   3.165  -2.062
   68   1HB   PHE  12          2HB       PHE  12   4.086   3.630  -2.507
   69   2HB   PHE  12          1HB       PHE  12   4.575   1.986  -2.911
   70    HD1  PHE  12           1HD      PHE  12   3.238   3.823   0.073
   71    HD2  PHE  12           2HD      PHE  12   3.094   0.342  -2.372
   72    HE1  PHE  12           1HE      PHE  12   1.419   2.929   1.460
   73    HE2  PHE  12           2HE      PHE  12   1.270  -0.555  -0.989
   74    HZ   PHE  12           HZ       PHE  12   0.431   0.737   0.930
   75    H    ASP  13           H        ASP  13   6.756   3.048   0.974
   76    HA   ASP  13           HA       ASP  13   5.167   4.895   2.262
   77   1HB   ASP  13          2HB       ASP  13   7.053   5.249   3.795
   78   2HB   ASP  13          1HB       ASP  13   6.856   3.542   3.413
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1  -7.753   9.224  -2.034
    2   2H    GLU   1          2HT       GLU   1  -7.184   8.779  -0.478
    3   3H    GLU   1          3HT       GLU   1  -8.714   8.228  -1.025
    4    HA   GLU   1           HA       GLU   1  -7.491   7.126  -2.877
    5   1HB   GLU   1          2HB       GLU   1  -5.217   7.683  -0.960
    6   2HB   GLU   1          1HB       GLU   1  -5.121   6.639  -2.370
    7   1HG   GLU   1          2HG       GLU   1  -5.681   9.596  -2.414
    8   2HG   GLU   1          1HG       GLU   1  -4.134   8.834  -2.779
    9    H    GLU   2           H        GLU   2  -6.928   4.848  -2.575
   10    HA   GLU   2           HA       GLU   2  -7.524   3.823   0.110
   11   1HB   GLU   2          2HB       GLU   2  -8.759   2.804  -2.456
   12   2HB   GLU   2          1HB       GLU   2  -8.937   2.050  -0.880
   13   1HG   GLU   2          2HG       GLU   2 -10.910   3.277  -1.286
   14   2HG   GLU   2          1HG       GLU   2  -9.992   4.174  -0.082
   15    H    ALA   3           H        ALA   3  -7.268   1.231  -0.104
   16    HA   ALA   3           HA       ALA   3  -5.301   0.234  -1.852
   17   1HB   ALA   3          1HB       ALA   3  -4.057   0.498   0.825
   18   2HB   ALA   3          2HB       ALA   3  -4.091   1.933  -0.198
   19   3HB   ALA   3          3HB       ALA   3  -3.314   0.459  -0.774
   20    H    ASP   4           H        ASP   4  -7.223  -1.215  -1.623
   21    HA   ASP   4           HA       ASP   4  -7.762  -2.678   0.704
   22   1HB   ASP   4          2HB       ASP   4  -9.289  -2.622  -1.215
   23   2HB   ASP   4          1HB       ASP   4  -8.119  -3.509  -2.186
   24    H    ASP   5           H        ASP   5  -5.324  -3.068  -1.766
   25    HA   ASP   5           HA       ASP   5  -4.571  -5.719  -1.263
   26   1HB   ASP   5          2HB       ASP   5  -3.800  -4.468  -3.228
   27   2HB   ASP   5          1HB       ASP   5  -2.859  -3.401  -2.191
   28    H    ASP   6           H        ASP   6  -3.585  -6.655   0.407
   29    HA   ASP   6           HA       ASP   6  -3.003  -5.320   2.783
   30   1HB   ASP   6          2HB       ASP   6  -2.019  -8.005   1.797
   31   2HB   ASP   6          1HB       ASP   6  -1.957  -7.447   3.461
   32    H    MET   7           H        MET   7  -1.637  -3.563   2.281
   33    HA   MET   7           HA       MET   7   1.138  -4.120   2.546
   34   1HB   MET   7          2HB       MET   7   1.902  -3.117   0.434
   35   2HB   MET   7          1HB       MET   7   0.969  -4.581   0.160
   36   1HG   MET   7          2HG       MET   7  -0.989  -3.234  -0.401
   37   2HG   MET   7          1HG       MET   7  -0.052  -1.763  -0.125
   38   1HE   MET   7          1HE       MET   7  -1.593  -1.857  -2.345
   39   2HE   MET   7          2HE       MET   7  -0.947  -2.318  -3.920
   40   3HE   MET   7          3HE       MET   7  -0.357  -0.864  -3.116
   41    H    GLY   8           H        GLY   8   2.397  -2.225   2.920
   42   1HA   GLY   8          2HA       GLY   8   1.743   0.401   2.628
   43   2HA   GLY   8          1HA       GLY   8   0.848  -0.081   4.061
   44    H    PHE   9           H        PHE   9   4.125  -0.172   2.675
   45    HA   PHE   9           HA       PHE   9   5.209   0.820   5.138
   46   1HB   PHE   9          2HB       PHE   9   6.809  -1.097   5.389
   47   2HB   PHE   9          1HB       PHE   9   5.128  -1.491   5.724
   48    HD1  PHE   9           1HD      PHE   9   7.580  -1.619   2.892
   49    HD2  PHE   9           2HD      PHE   9   4.241  -3.391   4.845
   50    HE1  PHE   9           1HE      PHE   9   7.666  -3.502   1.320
   51    HE2  PHE   9           2HE      PHE   9   4.326  -5.283   3.277
   52    HZ   PHE   9           HZ       PHE   9   6.041  -5.340   1.512
   53    H    GLY  10           H        GLY  10   7.927  -0.273   4.273
   54   1HA   GLY  10          2HA       GLY  10   8.742   1.972   2.840
   55   2HA   GLY  10          1HA       GLY  10   9.689   0.512   3.042
   56    H    LEU  11           H        LEU  11   6.887  -0.447   1.538
   57    HA   LEU  11           HA       LEU  11   8.188  -0.874  -0.937
   58   1HB   LEU  11          2HB       LEU  11   6.404  -2.334  -0.017
   59   2HB   LEU  11          1HB       LEU  11   5.242  -1.050  -0.297
   60   1HD1  LEU  11          1HD2      LEU  11   4.560  -3.418  -3.018
   61   2HD1  LEU  11          2HD2      LEU  11   4.085  -2.953  -1.385
   62   3HD1  LEU  11          3HD2      LEU  11   5.418  -4.082  -1.627
   63   1HD2  LEU  11          1HD1      LEU  11   4.653  -1.367  -3.672
   64   2HD2  LEU  11          2HD1      LEU  11   6.221  -0.567  -3.582
   65   3HD2  LEU  11          3HD1      LEU  11   4.953  -0.157  -2.426
   66    H    PHE  12           H        PHE  12   5.842   1.462   0.202
   67    HA   PHE  12           HA       PHE  12   6.498   3.192  -2.044
   68   1HB   PHE  12          2HB       PHE  12   4.090   3.671  -2.488
   69   2HB   PHE  12          1HB       PHE  12   4.573   2.029  -2.906
   70    HD1  PHE  12           1HD      PHE  12   3.241   3.846   0.092
   71    HD2  PHE  12           2HD      PHE  12   3.083   0.387  -2.383
   72    HE1  PHE  12           1HE      PHE  12   1.416   2.948   1.469
   73    HE2  PHE  12           2HE      PHE  12   1.255  -0.515  -1.009
   74    HZ   PHE  12           HZ       PHE  12   0.418   0.766   0.920
   75    H    ASP  13           H        ASP  13   6.753   3.048   0.991
   76    HA   ASP  13           HA       ASP  13   5.170   4.890   2.292
   77   1HB   ASP  13          2HB       ASP  13   7.057   5.224   3.832
   78   2HB   ASP  13          1HB       ASP  13   6.854   3.520   3.434
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1  -5.120   9.325  -2.751
    2   2H    GLU   1          2HT       GLU   1  -4.567   8.855  -1.196
    3   3H    GLU   1          3HT       GLU   1  -6.214   8.641  -1.623
    4    HA   GLU   1           HA       GLU   1  -5.423   7.164  -3.434
    5   1HB   GLU   1          2HB       GLU   1  -2.915   7.334  -1.749
    6   2HB   GLU   1          1HB       GLU   1  -3.177   6.200  -3.067
    7   1HG   GLU   1          2HG       GLU   1  -3.091   9.198  -3.326
    8   2HG   GLU   1          1HG       GLU   1  -1.784   8.090  -3.738
    9    H    GLU   2           H        GLU   2  -5.523   4.890  -3.016
   10    HA   GLU   2           HA       GLU   2  -5.930   4.156  -0.204
   11   1HB   GLU   2          2HB       GLU   2  -7.783   3.430  -2.483
   12   2HB   GLU   2          1HB       GLU   2  -7.901   2.806  -0.845
   13   1HG   GLU   2          2HG       GLU   2  -9.516   4.512  -1.053
   14   2HG   GLU   2          1HG       GLU   2  -8.213   5.162  -0.064
   15    H    ALA   3           H        ALA   3  -6.338   1.611  -0.184
   16    HA   ALA   3           HA       ALA   3  -5.080   0.016  -2.130
   17   1HB   ALA   3          1HB       ALA   3  -2.921  -0.209  -1.482
   18   2HB   ALA   3          2HB       ALA   3  -3.284   0.081   0.219
   19   3HB   ALA   3          3HB       ALA   3  -3.178   1.437  -0.904
   20    H    ASP   4           H        ASP   4  -7.138  -0.965  -1.485
   21    HA   ASP   4           HA       ASP   4  -7.675  -2.000   1.050
   22   1HB   ASP   4          2HB       ASP   4  -9.364  -1.870  -0.724
   23   2HB   ASP   4          1HB       ASP   4  -8.503  -3.098  -1.647
   24    H    ASP   5           H        ASP   5  -5.597  -3.163  -1.488
   25    HA   ASP   5           HA       ASP   5  -5.338  -5.843  -0.738
   26   1HB   ASP   5          2HB       ASP   5  -4.461  -4.941  -2.851
   27   2HB   ASP   5          1HB       ASP   5  -3.255  -4.017  -1.962
   28    H    ASP   6           H        ASP   6  -4.182  -6.892   0.801
   29    HA   ASP   6           HA       ASP   6  -3.379  -5.553   3.116
   30   1HB   ASP   6          2HB       ASP   6  -2.671  -8.329   2.148
   31   2HB   ASP   6          1HB       ASP   6  -2.467  -7.741   3.790
   32    H    MET   7           H        MET   7  -1.927  -3.911   2.405
   33    HA   MET   7           HA       MET   7   0.825  -4.765   2.443
   34   1HB   MET   7          2HB       MET   7   1.456  -3.609   0.360
   35   2HB   MET   7          1HB       MET   7   0.371  -4.961   0.061
   36   1HG   MET   7          2HG       MET   7  -1.504  -3.422  -0.162
   37   2HG   MET   7          1HG       MET   7  -0.428  -2.059   0.157
   38   1HE   MET   7          1HE       MET   7  -2.287  -2.015  -2.065
   39   2HE   MET   7          2HE       MET   7  -1.523  -1.958  -3.653
   40   3HE   MET   7          3HE       MET   7  -1.050  -0.805  -2.405
   41    H    GLY   8           H        GLY   8   2.181  -3.205   3.231
   42   1HA   GLY   8          2HA       GLY   8   1.603  -0.424   3.196
   43   2HA   GLY   8          1HA       GLY   8   1.150  -1.120   4.745
   44    H    PHE   9           H        PHE   9   3.835  -0.580   2.528
   45    HA   PHE   9           HA       PHE   9   5.626  -0.537   4.820
   46   1HB   PHE   9          2HB       PHE   9   7.333  -1.657   3.176
   47   2HB   PHE   9          1HB       PHE   9   6.213  -2.629   4.126
   48    HD1  PHE   9           1HD      PHE   9   5.922  -0.777   0.882
   49    HD2  PHE   9           2HD      PHE   9   5.530  -4.443   2.991
   50    HE1  PHE   9           1HE      PHE   9   5.067  -1.859  -1.161
   51    HE2  PHE   9           2HE      PHE   9   4.676  -5.535   0.958
   52    HZ   PHE   9           HZ       PHE   9   4.445  -4.240  -1.123
   53    H    GLY  10           H        GLY  10   7.984  -0.036   3.623
   54   1HA   GLY  10          2HA       GLY  10   7.718   2.706   3.013
   55   2HA   GLY  10          1HA       GLY  10   9.209   1.791   2.968
   56    H    LEU  11           H        LEU  11   7.957  -0.073   0.943
   57    HA   LEU  11           HA       LEU  11   9.017   1.016  -1.352
   58   1HB   LEU  11          2HB       LEU  11   6.694  -0.894  -1.198
   59   2HB   LEU  11          1HB       LEU  11   7.691  -0.615  -2.614
   60   1HD1  LEU  11          1HD2      LEU  11   8.699  -3.361  -2.498
   61   2HD1  LEU  11          2HD2      LEU  11   7.107  -3.063  -1.802
   62   3HD1  LEU  11          3HD2      LEU  11   8.353  -3.862  -0.843
   63   1HD2  LEU  11          1HD1      LEU  11  10.734  -2.193  -1.128
   64   2HD2  LEU  11          2HD1      LEU  11  10.347  -0.477  -1.249
   65   3HD2  LEU  11          3HD1      LEU  11  10.097  -1.536  -2.636
   66    H    PHE  12           H        PHE  12   5.923   1.604   0.086
   67    HA   PHE  12           HA       PHE  12   5.454   3.748  -1.818
   68   1HB   PHE  12          2HB       PHE  12   3.111   3.054  -2.229
   69   2HB   PHE  12          1HB       PHE  12   4.283   1.908  -2.875
   70    HD1  PHE  12           1HD      PHE  12   2.405   2.463   0.324
   71    HD2  PHE  12           2HD      PHE  12   3.792  -0.302  -2.599
   72    HE1  PHE  12           1HE      PHE  12   1.296   0.637   1.533
   73    HE2  PHE  12           2HE      PHE  12   2.680  -2.134  -1.395
   74    HZ   PHE  12           HZ       PHE  12   1.431  -1.665   0.673
   75    H    ASP  13           H        ASP  13   5.937   3.171   1.182
   76    HA   ASP  13           HA       ASP  13   3.770   3.784   2.748
   77   1HB   ASP  13          2HB       ASP  13   5.352   4.704   4.377
   78   2HB   ASP  13          1HB       ASP  13   5.988   3.228   3.654
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1  -0.946   7.564   2.589
    2   2H    GLU   1          2HT       GLU   1  -0.513   6.058   3.288
    3   3H    GLU   1          3HT       GLU   1  -2.073   6.719   3.565
    4    HA   GLU   1           HA       GLU   1  -2.394   6.616   1.110
    5   1HB   GLU   1          2HB       GLU   1  -0.008   4.782   1.438
    6   2HB   GLU   1          1HB       GLU   1  -0.973   4.939  -0.023
    7   1HG   GLU   1          2HG       GLU   1   0.657   7.130   1.245
    8   2HG   GLU   1          1HG       GLU   1   1.125   6.180  -0.164
    9    H    GLU   2           H        GLU   2  -3.116   4.394   0.158
   10    HA   GLU   2           HA       GLU   2  -3.922   2.582   2.321
   11   1HB   GLU   2          2HB       GLU   2  -5.763   3.667   0.181
   12   2HB   GLU   2          1HB       GLU   2  -6.184   2.412   1.336
   13   1HG   GLU   2          2HG       GLU   2  -7.129   4.423   2.127
   14   2HG   GLU   2          1HG       GLU   2  -5.748   4.067   3.161
   15    H    ALA   3           H        ALA   3  -5.232   0.665   1.105
   16    HA   ALA   3           HA       ALA   3  -4.358  -0.108  -1.456
   17   1HB   ALA   3          1HB       ALA   3  -2.239  -0.236   0.114
   18   2HB   ALA   3          2HB       ALA   3  -2.541  -1.454  -1.126
   19   3HB   ALA   3          3HB       ALA   3  -2.953  -1.786   0.556
   20    H    ASP   4           H        ASP   4  -6.212  -1.086  -1.958
   21    HA   ASP   4           HA       ASP   4  -7.865  -2.470  -0.149
   22   1HB   ASP   4          2HB       ASP   4  -8.716  -1.488  -2.226
   23   2HB   ASP   4          1HB       ASP   4  -7.769  -2.635  -3.169
   24    H    ASP   5           H        ASP   5  -5.010  -3.435  -1.760
   25    HA   ASP   5           HA       ASP   5  -5.654  -6.279  -1.501
   26   1HB   ASP   5          2HB       ASP   5  -4.637  -5.486  -3.618
   27   2HB   ASP   5          1HB       ASP   5  -3.220  -4.954  -2.720
   28    H    ASP   6           H        ASP   6  -5.315  -4.698   0.864
   29    HA   ASP   6           HA       ASP   6  -4.149  -4.574   2.826
   30   1HB   ASP   6          2HB       ASP   6  -5.029  -6.848   2.915
   31   2HB   ASP   6          1HB       ASP   6  -3.621  -7.446   2.044
   32    H    MET   7           H        MET   7  -2.511  -3.108   2.349
   33    HA   MET   7           HA       MET   7   0.121  -3.986   2.701
   34   1HB   MET   7          2HB       MET   7   1.091  -3.476   0.495
   35   2HB   MET   7          1HB       MET   7  -0.036  -4.824   0.421
   36   1HG   MET   7          2HG       MET   7  -1.759  -3.339  -0.466
   37   2HG   MET   7          1HG       MET   7  -0.628  -1.986  -0.392
   38   1HE   MET   7          1HE       MET   7  -2.230  -2.668  -2.896
   39   2HE   MET   7          2HE       MET   7  -1.089  -2.794  -4.236
   40   3HE   MET   7          3HE       MET   7  -0.966  -1.454  -3.096
   41    H    GLY   8           H        GLY   8   1.368  -2.320   3.365
   42   1HA   GLY   8          2HA       GLY   8   1.053   0.358   2.443
   43   2HA   GLY   8          1HA       GLY   8   0.291   0.139   4.012
   44    H    PHE   9           H        PHE   9   3.344  -0.041   2.265
   45    HA   PHE   9           HA       PHE   9   4.722   0.563   4.756
   46   1HB   PHE   9          2HB       PHE   9   6.595  -0.990   3.775
   47   2HB   PHE   9          1HB       PHE   9   5.270  -1.649   4.730
   48    HD1  PHE   9           1HD      PHE   9   5.633  -0.704   1.123
   49    HD2  PHE   9           2HD      PHE   9   4.659  -3.680   3.993
   50    HE1  PHE   9           1HE      PHE   9   5.044  -2.261  -0.694
   51    HE2  PHE   9           2HE      PHE   9   4.068  -5.246   2.186
   52    HZ   PHE   9           HZ       PHE   9   4.262  -4.533  -0.163
   53    H    GLY  10           H        GLY  10   7.270   0.688   3.941
   54   1HA   GLY  10          2HA       GLY  10   7.303   3.169   2.586
   55   2HA   GLY  10          1HA       GLY  10   8.711   2.264   3.094
   56    H    LEU  11           H        LEU  11   7.610  -0.058   1.400
   57    HA   LEU  11           HA       LEU  11   9.217   0.309  -0.823
   58   1HB   LEU  11          2HB       LEU  11   8.303  -1.865  -0.047
   59   2HB   LEU  11          1HB       LEU  11   6.735  -1.393  -0.673
   60   1HD1  LEU  11          1HD2      LEU  11   8.531  -3.870  -2.953
   61   2HD1  LEU  11          2HD2      LEU  11   6.931  -3.669  -2.241
   62   3HD1  LEU  11          3HD2      LEU  11   8.348  -3.807  -1.201
   63   1HD2  LEU  11          1HD1      LEU  11   7.026  -2.075  -3.990
   64   2HD2  LEU  11          2HD1      LEU  11   7.924  -0.567  -3.823
   65   3HD2  LEU  11          3HD1      LEU  11   6.451  -0.825  -2.887
   66    H    PHE  12           H        PHE  12   5.915   1.260  -0.284
   67    HA   PHE  12           HA       PHE  12   6.011   2.871  -2.712
   68   1HB   PHE  12          2HB       PHE  12   3.729   2.172  -3.377
   69   2HB   PHE  12          1HB       PHE  12   4.896   0.854  -3.460
   70    HD1  PHE  12           1HD      PHE  12   2.528   2.324  -0.951
   71    HD2  PHE  12           2HD      PHE  12   4.182  -1.180  -2.715
   72    HE1  PHE  12           1HE      PHE  12   1.072   0.934   0.454
   73    HE2  PHE  12           2HE      PHE  12   2.722  -2.575  -1.313
   74    HZ   PHE  12           HZ       PHE  12   1.166  -1.518   0.274
   75    H    ASP  13           H        ASP  13   5.887   3.107   0.374
   76    HA   ASP  13           HA       ASP  13   3.549   4.191   1.288
   77   1HB   ASP  13          2HB       ASP  13   4.893   5.504   2.862
   78   2HB   ASP  13          1HB       ASP  13   5.538   3.872   2.697
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1  -1.166   7.692   2.522
    2   2H    GLU   1          2HT       GLU   1  -0.751   6.293   3.426
    3   3H    GLU   1          3HT       GLU   1  -2.369   6.866   3.420
    4    HA   GLU   1           HA       GLU   1  -2.317   6.512   0.960
    5   1HB   GLU   1          2HB       GLU   1   0.062   4.855   1.832
    6   2HB   GLU   1          1HB       GLU   1  -0.677   4.809   0.237
    7   1HG   GLU   1          2HG       GLU   1   0.656   7.204   1.482
    8   2HG   GLU   1          1HG       GLU   1   1.368   6.142   0.268
    9    H    GLU   2           H        GLU   2  -3.117   4.397   0.160
   10    HA   GLU   2           HA       GLU   2  -3.924   2.581   2.321
   11   1HB   GLU   2          2HB       GLU   2  -5.761   3.669   0.178
   12   2HB   GLU   2          1HB       GLU   2  -6.185   2.414   1.333
   13   1HG   GLU   2          2HG       GLU   2  -7.129   4.428   2.123
   14   2HG   GLU   2          1HG       GLU   2  -5.749   4.069   3.158
   15    H    ALA   3           H        ALA   3  -5.232   0.665   1.104
   16    HA   ALA   3           HA       ALA   3  -4.358  -0.108  -1.456
   17   1HB   ALA   3          1HB       ALA   3  -2.953  -1.786   0.556
   18   2HB   ALA   3          2HB       ALA   3  -2.239  -0.236   0.113
   19   3HB   ALA   3          3HB       ALA   3  -2.541  -1.454  -1.126
   20    H    ASP   4           H        ASP   4  -6.211  -1.086  -1.958
   21    HA   ASP   4           HA       ASP   4  -7.865  -2.470  -0.149
   22   1HB   ASP   4          2HB       ASP   4  -8.716  -1.489  -2.227
   23   2HB   ASP   4          1HB       ASP   4  -7.769  -2.635  -3.168
   24    H    ASP   5           H        ASP   5  -5.010  -3.435  -1.759
   25    HA   ASP   5           HA       ASP   5  -5.654  -6.279  -1.500
   26   1HB   ASP   5          2HB       ASP   5  -4.637  -5.486  -3.617
   27   2HB   ASP   5          1HB       ASP   5  -3.220  -4.954  -2.720
   28    H    ASP   6           H        ASP   6  -5.314  -4.698   0.864
   29    HA   ASP   6           HA       ASP   6  -4.149  -4.574   2.826
   30   1HB   ASP   6          2HB       ASP   6  -5.029  -6.848   2.916
   31   2HB   ASP   6          1HB       ASP   6  -3.622  -7.446   2.044
   32    H    MET   7           H        MET   7  -2.512  -3.108   2.348
   33    HA   MET   7           HA       MET   7   0.121  -3.986   2.701
   34   1HB   MET   7          2HB       MET   7   1.090  -3.475   0.495
   35   2HB   MET   7          1HB       MET   7  -0.035  -4.824   0.421
   36   1HG   MET   7          2HG       MET   7  -1.760  -3.339  -0.465
   37   2HG   MET   7          1HG       MET   7  -0.628  -1.986  -0.392
   38   1HE   MET   7          1HE       MET   7  -2.231  -2.679  -2.906
   39   2HE   MET   7          2HE       MET   7  -1.080  -2.785  -4.238
   40   3HE   MET   7          3HE       MET   7  -0.976  -1.453  -3.085
   41    H    GLY   8           H        GLY   8   1.368  -2.321   3.366
   42   1HA   GLY   8          2HA       GLY   8   1.053   0.359   2.444
   43   2HA   GLY   8          1HA       GLY   8   0.291   0.140   4.012
   44    H    PHE   9           H        PHE   9   3.344  -0.041   2.265
   45    HA   PHE   9           HA       PHE   9   4.722   0.563   4.756
   46   1HB   PHE   9          2HB       PHE   9   6.594  -0.990   3.774
   47   2HB   PHE   9          1HB       PHE   9   5.271  -1.649   4.729
   48    HD1  PHE   9           1HD      PHE   9   5.633  -0.704   1.123
   49    HD2  PHE   9           2HD      PHE   9   4.659  -3.681   3.993
   50    HE1  PHE   9           1HE      PHE   9   5.043  -2.261  -0.695
   51    HE2  PHE   9           2HE      PHE   9   4.068  -5.245   2.186
   52    HZ   PHE   9           HZ       PHE   9   4.262  -4.533  -0.163
   53    H    GLY  10           H        GLY  10   7.270   0.688   3.941
   54   1HA   GLY  10          2HA       GLY  10   7.302   3.169   2.585
   55   2HA   GLY  10          1HA       GLY  10   8.711   2.264   3.093
   56    H    LEU  11           H        LEU  11   7.610  -0.058   1.400
   57    HA   LEU  11           HA       LEU  11   9.217   0.308  -0.822
   58   1HB   LEU  11          2HB       LEU  11   8.303  -1.865  -0.047
   59   2HB   LEU  11          1HB       LEU  11   6.734  -1.392  -0.672
   60   1HD1  LEU  11          1HD2      LEU  11   8.387  -3.855  -3.042
   61   2HD1  LEU  11          2HD2      LEU  11   6.927  -3.664  -2.071
   62   3HD1  LEU  11          3HD2      LEU  11   8.495  -3.826  -1.282
   63   1HD2  LEU  11          1HD1      LEU  11   7.026  -2.075  -3.989
   64   2HD2  LEU  11          2HD1      LEU  11   7.923  -0.567  -3.824
   65   3HD2  LEU  11          3HD1      LEU  11   6.451  -0.826  -2.887
   66    H    PHE  12           H        PHE  12   5.914   1.260  -0.284
   67    HA   PHE  12           HA       PHE  12   6.011   2.871  -2.712
   68   1HB   PHE  12          2HB       PHE  12   3.729   2.172  -3.377
   69   2HB   PHE  12          1HB       PHE  12   4.896   0.854  -3.461
   70    HD1  PHE  12           1HD      PHE  12   2.529   2.324  -0.951
   71    HD2  PHE  12           2HD      PHE  12   4.182  -1.180  -2.715
   72    HE1  PHE  12           1HE      PHE  12   1.072   0.934   0.454
   73    HE2  PHE  12           2HE      PHE  12   2.722  -2.575  -1.313
   74    HZ   PHE  12           HZ       PHE  12   1.166  -1.518   0.274
   75    H    ASP  13           H        ASP  13   5.886   3.107   0.373
   76    HA   ASP  13           HA       ASP  13   3.549   4.190   1.287
   77   1HB   ASP  13          2HB       ASP  13   4.892   5.504   2.862
   78   2HB   ASP  13          1HB       ASP  13   5.538   3.872   2.697
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1  -3.290   8.459  -2.786
    2   2H    GLU   1          2HT       GLU   1  -2.559   6.961  -2.378
    3   3H    GLU   1          3HT       GLU   1  -3.588   7.750  -1.255
    4    HA   GLU   1           HA       GLU   1  -5.382   7.540  -2.928
    5   1HB   GLU   1          2HB       GLU   1  -3.354   5.617  -4.090
    6   2HB   GLU   1          1HB       GLU   1  -5.025   5.766  -4.612
    7   1HG   GLU   1          2HG       GLU   1  -2.936   7.926  -4.789
    8   2HG   GLU   1          1HG       GLU   1  -3.482   6.908  -6.120
    9    H    GLU   2           H        GLU   2  -6.363   5.112  -3.245
   10    HA   GLU   2           HA       GLU   2  -6.419   4.067  -0.546
   11   1HB   GLU   2          2HB       GLU   2  -8.001   3.264  -2.995
   12   2HB   GLU   2          1HB       GLU   2  -8.270   2.649  -1.372
   13   1HG   GLU   2          2HG       GLU   2  -9.907   4.301  -1.766
   14   2HG   GLU   2          1HG       GLU   2  -8.734   5.001  -0.655
   15    H    ALA   3           H        ALA   3  -6.638   1.562  -0.413
   16    HA   ALA   3           HA       ALA   3  -5.243  -0.076  -2.225
   17   1HB   ALA   3          1HB       ALA   3  -3.290  -0.446  -0.462
   18   2HB   ALA   3          2HB       ALA   3  -3.618   1.255  -0.132
   19   3HB   ALA   3          3HB       ALA   3  -3.172   0.742  -1.759
   20    H    ASP   4           H        ASP   4  -7.299  -1.084  -1.563
   21    HA   ASP   4           HA       ASP   4  -7.833  -2.020   1.012
   22   1HB   ASP   4          2HB       ASP   4  -9.508  -2.016  -0.781
   23   2HB   ASP   4          1HB       ASP   4  -8.602  -3.256  -1.643
   24    H    ASP   5           H        ASP   5  -5.714  -3.242  -1.468
   25    HA   ASP   5           HA       ASP   5  -5.379  -5.873  -0.579
   26   1HB   ASP   5          2HB       ASP   5  -4.538  -5.062  -2.743
   27   2HB   ASP   5          1HB       ASP   5  -3.356  -4.057  -1.912
   28    H    ASP   6           H        ASP   6  -4.193  -6.801   1.012
   29    HA   ASP   6           HA       ASP   6  -3.392  -5.289   3.230
   30   1HB   ASP   6          2HB       ASP   6  -2.702  -8.132   2.467
   31   2HB   ASP   6          1HB       ASP   6  -2.480  -7.424   4.058
   32    H    MET   7           H        MET   7  -1.958  -3.711   2.286
   33    HA   MET   7           HA       MET   7   0.800  -4.669   2.230
   34   1HB   MET   7          2HB       MET   7   1.324  -3.327   0.232
   35   2HB   MET   7          1HB       MET   7   0.166  -4.603  -0.118
   36   1HG   MET   7          2HG       MET   7  -1.654  -2.987  -0.041
   37   2HG   MET   7          1HG       MET   7  -0.503  -1.702   0.330
   38   1HE   MET   7          1HE       MET   7  -2.595  -1.525  -2.008
   39   2HE   MET   7          2HE       MET   7  -1.633  -0.930  -3.360
   40   3HE   MET   7          3HE       MET   7  -1.412  -0.243  -1.750
   41    H    GLY   8           H        GLY   8   2.272  -3.243   3.063
   42   1HA   GLY   8          2HA       GLY   8   1.820  -0.458   3.347
   43   2HA   GLY   8          1HA       GLY   8   1.425  -1.285   4.845
   44    H    PHE   9           H        PHE   9   4.000  -0.631   2.534
   45    HA   PHE   9           HA       PHE   9   5.920  -0.910   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.476  -1.891   2.832
   47   2HB   PHE   9          1HB       PHE   9   6.380  -2.925   3.743
   48    HD1  PHE   9           1HD      PHE   9   5.952  -0.709   0.753
   49    HD2  PHE   9           2HD      PHE   9   5.559  -4.578   2.464
   50    HE1  PHE   9           1HE      PHE   9   4.924  -1.526  -1.333
   51    HE2  PHE   9           2HE      PHE   9   4.532  -5.405   0.386
   52    HZ   PHE   9           HZ       PHE   9   4.214  -3.874  -1.517
   53    H    GLY  10           H        GLY  10   8.223  -0.356   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.031   2.447   3.144
   55   2HA   GLY  10          1HA       GLY  10   9.486   1.495   2.941
   56    H    LEU  11           H        LEU  11   7.954  -0.089   0.800
   57    HA   LEU  11           HA       LEU  11   9.009   1.175  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.244  -1.185  -1.335
   59   2HB   LEU  11          1HB       LEU  11   6.586  -0.614  -1.365
   60   1HD1  LEU  11          1HD2      LEU  11   7.968  -2.028  -4.632
   61   2HD1  LEU  11          2HD2      LEU  11   6.350  -2.044  -3.929
   62   3HD1  LEU  11          3HD2      LEU  11   7.734  -2.570  -2.971
   63   1HD2  LEU  11          1HD1      LEU  11   6.075  -0.003  -4.668
   64   2HD2  LEU  11          2HD1      LEU  11   7.026   1.391  -4.159
   65   3HD2  LEU  11          3HD1      LEU  11   5.808   0.712  -3.080
   66    H    PHE  12           H        PHE  12   5.951   1.651   0.162
   67    HA   PHE  12           HA       PHE  12   5.520   4.044  -1.448
   68   1HB   PHE  12          2HB       PHE  12   3.125   3.499  -1.776
   69   2HB   PHE  12          1HB       PHE  12   4.199   2.377  -2.608
   70    HD1  PHE  12           1HD      PHE  12   2.544   2.677   0.742
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.172  -2.526
   72    HE1  PHE  12           1HE      PHE  12   1.425   0.782   1.831
   73    HE2  PHE  12           2HE      PHE  12   2.499  -1.726  -1.442
   74    HZ   PHE  12           HZ       PHE  12   1.399  -1.423   0.738
   75    H    ASP  13           H        ASP  13   6.134   3.122   1.447
   76    HA   ASP  13           HA       ASP  13   4.110   3.659   3.207
   77   1HB   ASP  13          2HB       ASP  13   5.826   4.375   4.804
   78   2HB   ASP  13          1HB       ASP  13   6.362   2.957   3.902
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1  -5.058   9.275  -2.651
    2   2H    GLU   1          2HT       GLU   1  -4.320   8.480  -1.322
    3   3H    GLU   1          3HT       GLU   1  -6.029   8.630  -1.395
    4    HA   GLU   1           HA       GLU   1  -5.883   7.351  -3.525
    5   1HB   GLU   1          2HB       GLU   1  -3.187   6.738  -2.294
    6   2HB   GLU   1          1HB       GLU   1  -3.885   5.903  -3.674
    7   1HG   GLU   1          2HG       GLU   1  -3.158   8.823  -3.577
    8   2HG   GLU   1          1HG       GLU   1  -2.211   7.549  -4.342
    9    H    GLU   2           H        GLU   2  -5.703   4.812  -3.282
   10    HA   GLU   2           HA       GLU   2  -6.443   4.048  -0.546
   11   1HB   GLU   2          2HB       GLU   2  -7.970   3.290  -3.044
   12   2HB   GLU   2          1HB       GLU   2  -8.281   2.653  -1.436
   13   1HG   GLU   2          2HG       GLU   2  -9.901   4.317  -1.844
   14   2HG   GLU   2          1HG       GLU   2  -8.751   4.995  -0.694
   15    H    ALA   3           H        ALA   3  -6.638   1.561  -0.418
   16    HA   ALA   3           HA       ALA   3  -5.243  -0.078  -2.228
   17   1HB   ALA   3          1HB       ALA   3  -3.618   1.254  -0.135
   18   2HB   ALA   3          2HB       ALA   3  -3.173   0.740  -1.763
   19   3HB   ALA   3          3HB       ALA   3  -3.291  -0.447  -0.465
   20    H    ASP   4           H        ASP   4  -7.299  -1.086  -1.566
   21    HA   ASP   4           HA       ASP   4  -7.834  -2.021   1.010
   22   1HB   ASP   4          2HB       ASP   4  -9.509  -2.018  -0.782
   23   2HB   ASP   4          1HB       ASP   4  -8.603  -3.259  -1.644
   24    H    ASP   5           H        ASP   5  -5.714  -3.243  -1.469
   25    HA   ASP   5           HA       ASP   5  -5.379  -5.873  -0.579
   26   1HB   ASP   5          2HB       ASP   5  -4.537  -5.063  -2.743
   27   2HB   ASP   5          1HB       ASP   5  -3.355  -4.059  -1.913
   28    H    ASP   6           H        ASP   6  -4.193  -6.801   1.013
   29    HA   ASP   6           HA       ASP   6  -3.393  -5.288   3.230
   30   1HB   ASP   6          2HB       ASP   6  -2.702  -8.131   2.469
   31   2HB   ASP   6          1HB       ASP   6  -2.481  -7.423   4.059
   32    H    MET   7           H        MET   7  -1.958  -3.710   2.287
   33    HA   MET   7           HA       MET   7   0.799  -4.669   2.231
   34   1HB   MET   7          2HB       MET   7   1.323  -3.327   0.232
   35   2HB   MET   7          1HB       MET   7   0.166  -4.603  -0.117
   36   1HG   MET   7          2HG       MET   7  -1.655  -2.988  -0.041
   37   2HG   MET   7          1HG       MET   7  -0.504  -1.703   0.330
   38   1HE   MET   7          1HE       MET   7  -2.594  -1.524  -2.001
   39   2HE   MET   7          2HE       MET   7  -1.638  -0.939  -3.362
   40   3HE   MET   7          3HE       MET   7  -1.407  -0.242  -1.758
   41    H    GLY   8           H        GLY   8   2.271  -3.242   3.064
   42   1HA   GLY   8          2HA       GLY   8   1.819  -0.456   3.346
   43   2HA   GLY   8          1HA       GLY   8   1.423  -1.283   4.845
   44    H    PHE   9           H        PHE   9   3.999  -0.629   2.533
   45    HA   PHE   9           HA       PHE   9   5.918  -0.907   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.476  -1.889   2.833
   47   2HB   PHE   9          1HB       PHE   9   6.379  -2.924   3.745
   48    HD1  PHE   9           1HD      PHE   9   5.952  -0.709   0.753
   49    HD2  PHE   9           2HD      PHE   9   5.558  -4.576   2.466
   50    HE1  PHE   9           1HE      PHE   9   4.924  -1.527  -1.332
   51    HE2  PHE   9           2HE      PHE   9   4.531  -5.405   0.388
   52    HZ   PHE   9           HZ       PHE   9   4.213  -3.876  -1.516
   53    H    GLY  10           H        GLY  10   8.221  -0.354   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.030   2.448   3.142
   55   2HA   GLY  10          1HA       GLY  10   9.484   1.496   2.941
   56    H    LEU  11           H        LEU  11   7.954  -0.088   0.800
   57    HA   LEU  11           HA       LEU  11   9.009   1.174  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.244  -1.186  -1.334
   59   2HB   LEU  11          1HB       LEU  11   6.586  -0.616  -1.365
   60   1HD1  LEU  11          1HD2      LEU  11   7.880  -1.998  -4.684
   61   2HD1  LEU  11          2HD2      LEU  11   6.342  -2.079  -3.827
   62   3HD1  LEU  11          3HD2      LEU  11   7.830  -2.569  -3.017
   63   1HD2  LEU  11          1HD1      LEU  11   6.076  -0.006  -4.669
   64   2HD2  LEU  11          2HD1      LEU  11   7.026   1.389  -4.160
   65   3HD2  LEU  11          3HD1      LEU  11   5.808   0.710  -3.080
   66    H    PHE  12           H        PHE  12   5.950   1.650   0.162
   67    HA   PHE  12           HA       PHE  12   5.520   4.044  -1.450
   68   1HB   PHE  12          2HB       PHE  12   3.125   3.497  -1.778
   69   2HB   PHE  12          1HB       PHE  12   4.200   2.376  -2.611
   70    HD1  PHE  12           1HD      PHE  12   2.542   2.676   0.740
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.171  -2.527
   72    HE1  PHE  12           1HE      PHE  12   1.423   0.783   1.829
   73    HE2  PHE  12           2HE      PHE  12   2.498  -1.727  -1.443
   74    HZ   PHE  12           HZ       PHE  12   1.399  -1.423   0.738
   75    H    ASP  13           H        ASP  13   6.133   3.123   1.445
   76    HA   ASP  13           HA       ASP  13   4.108   3.660   3.203
   77   1HB   ASP  13          2HB       ASP  13   5.825   4.377   4.801
   78   2HB   ASP  13          1HB       ASP  13   6.359   2.960   3.901
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1  -5.388   9.262  -2.940
    2   2H    GLU   1          2HT       GLU   1  -5.001   8.742  -1.351
    3   3H    GLU   1          3HT       GLU   1  -6.603   8.576  -1.944
    4    HA   GLU   1           HA       GLU   1  -5.694   7.115  -3.694
    5   1HB   GLU   1          2HB       GLU   1  -3.308   7.225  -1.835
    6   2HB   GLU   1          1HB       GLU   1  -3.489   6.120  -3.189
    7   1HG   GLU   1          2HG       GLU   1  -3.355   9.120  -3.383
    8   2HG   GLU   1          1HG       GLU   1  -2.033   8.005  -3.724
    9    H    GLU   2           H        GLU   2  -5.723   4.801  -3.296
   10    HA   GLU   2           HA       GLU   2  -6.432   4.058  -0.547
   11   1HB   GLU   2          2HB       GLU   2  -7.986   3.276  -3.020
   12   2HB   GLU   2          1HB       GLU   2  -8.275   2.650  -1.405
   13   1HG   GLU   2          2HG       GLU   2  -9.905   4.308  -1.806
   14   2HG   GLU   2          1HG       GLU   2  -8.744   4.997  -0.675
   15    H    ALA   3           H        ALA   3  -6.639   1.562  -0.416
   16    HA   ALA   3           HA       ALA   3  -5.243  -0.077  -2.227
   17   1HB   ALA   3          1HB       ALA   3  -3.291  -0.447  -0.463
   18   2HB   ALA   3          2HB       ALA   3  -3.618   1.254  -0.133
   19   3HB   ALA   3          3HB       ALA   3  -3.172   0.742  -1.761
   20    H    ASP   4           H        ASP   4  -7.299  -1.085  -1.565
   21    HA   ASP   4           HA       ASP   4  -7.834  -2.020   1.010
   22   1HB   ASP   4          2HB       ASP   4  -9.509  -2.017  -0.782
   23   2HB   ASP   4          1HB       ASP   4  -8.602  -3.258  -1.643
   24    H    ASP   5           H        ASP   5  -5.714  -3.242  -1.469
   25    HA   ASP   5           HA       ASP   5  -5.378  -5.873  -0.579
   26   1HB   ASP   5          2HB       ASP   5  -4.537  -5.063  -2.743
   27   2HB   ASP   5          1HB       ASP   5  -3.355  -4.058  -1.912
   28    H    ASP   6           H        ASP   6  -4.193  -6.801   1.012
   29    HA   ASP   6           HA       ASP   6  -3.392  -5.288   3.230
   30   1HB   ASP   6          2HB       ASP   6  -2.701  -8.131   2.468
   31   2HB   ASP   6          1HB       ASP   6  -2.481  -7.423   4.059
   32    H    MET   7           H        MET   7  -1.958  -3.711   2.287
   33    HA   MET   7           HA       MET   7   0.800  -4.669   2.230
   34   1HB   MET   7          2HB       MET   7   1.324  -3.326   0.232
   35   2HB   MET   7          1HB       MET   7   0.166  -4.603  -0.117
   36   1HG   MET   7          2HG       MET   7  -1.655  -2.987  -0.040
   37   2HG   MET   7          1HG       MET   7  -0.503  -1.701   0.331
   38   1HE   MET   7          1HE       MET   7  -2.601  -1.548  -2.061
   39   2HE   MET   7          2HE       MET   7  -1.593  -0.889  -3.351
   40   3HE   MET   7          3HE       MET   7  -1.444  -0.265  -1.708
   41    H    GLY   8           H        GLY   8   2.272  -3.243   3.064
   42   1HA   GLY   8          2HA       GLY   8   1.820  -0.458   3.347
   43   2HA   GLY   8          1HA       GLY   8   1.424  -1.284   4.846
   44    H    PHE   9           H        PHE   9   3.999  -0.630   2.534
   45    HA   PHE   9           HA       PHE   9   5.919  -0.909   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.475  -1.890   2.833
   47   2HB   PHE   9          1HB       PHE   9   6.381  -2.925   3.744
   48    HD1  PHE   9           1HD      PHE   9   5.952  -0.709   0.753
   49    HD2  PHE   9           2HD      PHE   9   5.558  -4.577   2.464
   50    HE1  PHE   9           1HE      PHE   9   4.923  -1.526  -1.333
   51    HE2  PHE   9           2HE      PHE   9   4.531  -5.404   0.387
   52    HZ   PHE   9           HZ       PHE   9   4.214  -3.875  -1.517
   53    H    GLY  10           H        GLY  10   8.223  -0.355   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.031   2.447   3.143
   55   2HA   GLY  10          1HA       GLY  10   9.485   1.495   2.942
   56    H    LEU  11           H        LEU  11   7.954  -0.088   0.800
   57    HA   LEU  11           HA       LEU  11   9.009   1.174  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.243  -1.185  -1.335
   59   2HB   LEU  11          1HB       LEU  11   6.586  -0.615  -1.366
   60   1HD1  LEU  11          1HD2      LEU  11   7.967  -2.028  -4.632
   61   2HD1  LEU  11          2HD2      LEU  11   6.350  -2.044  -3.929
   62   3HD1  LEU  11          3HD2      LEU  11   7.734  -2.571  -2.971
   63   1HD2  LEU  11          1HD1      LEU  11   6.075  -0.004  -4.668
   64   2HD2  LEU  11          2HD1      LEU  11   7.025   1.390  -4.160
   65   3HD2  LEU  11          3HD1      LEU  11   5.808   0.711  -3.079
   66    H    PHE  12           H        PHE  12   5.951   1.651   0.162
   67    HA   PHE  12           HA       PHE  12   5.520   4.044  -1.449
   68   1HB   PHE  12          2HB       PHE  12   3.125   3.499  -1.776
   69   2HB   PHE  12          1HB       PHE  12   4.199   2.377  -2.609
   70    HD1  PHE  12           1HD      PHE  12   2.544   2.677   0.742
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.172  -2.526
   72    HE1  PHE  12           1HE      PHE  12   1.424   0.782   1.830
   73    HE2  PHE  12           2HE      PHE  12   2.499  -1.727  -1.442
   74    HZ   PHE  12           HZ       PHE  12   1.399  -1.423   0.739
   75    H    ASP  13           H        ASP  13   6.133   3.123   1.446
   76    HA   ASP  13           HA       ASP  13   4.109   3.659   3.205
   77   1HB   ASP  13          2HB       ASP  13   5.825   4.376   4.803
   78   2HB   ASP  13          1HB       ASP  13   6.361   2.958   3.902
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1  -5.301   9.282  -2.788
    2   2H    GLU   1          2HT       GLU   1  -4.717   8.678  -1.292
    3   3H    GLU   1          3HT       GLU   1  -6.392   8.604  -1.654
    4    HA   GLU   1           HA       GLU   1  -5.744   7.212  -3.610
    5   1HB   GLU   1          2HB       GLU   1  -3.236   7.041  -1.925
    6   2HB   GLU   1          1HB       GLU   1  -3.592   6.032  -3.319
    7   1HG   GLU   1          2HG       GLU   1  -3.242   9.020  -3.364
    8   2HG   GLU   1          1HG       GLU   1  -2.037   7.834  -3.858
    9    H    GLU   2           H        GLU   2  -5.686   4.815  -3.273
   10    HA   GLU   2           HA       GLU   2  -6.447   4.044  -0.545
   11   1HB   GLU   2          2HB       GLU   2  -7.965   3.296  -3.052
   12   2HB   GLU   2          1HB       GLU   2  -8.281   2.654  -1.448
   13   1HG   GLU   2          2HG       GLU   2  -9.899   4.321  -1.856
   14   2HG   GLU   2          1HG       GLU   2  -8.754   4.994  -0.700
   15    H    ALA   3           H        ALA   3  -6.638   1.561  -0.418
   16    HA   ALA   3           HA       ALA   3  -5.244  -0.079  -2.229
   17   1HB   ALA   3          1HB       ALA   3  -3.618   1.254  -0.136
   18   2HB   ALA   3          2HB       ALA   3  -3.173   0.739  -1.764
   19   3HB   ALA   3          3HB       ALA   3  -3.291  -0.448  -0.465
   20    H    ASP   4           H        ASP   4  -7.300  -1.086  -1.566
   21    HA   ASP   4           HA       ASP   4  -7.835  -2.020   1.009
   22   1HB   ASP   4          2HB       ASP   4  -9.508  -2.019  -0.784
   23   2HB   ASP   4          1HB       ASP   4  -8.603  -3.260  -1.645
   24    H    ASP   5           H        ASP   5  -5.714  -3.244  -1.470
   25    HA   ASP   5           HA       ASP   5  -5.378  -5.874  -0.579
   26   1HB   ASP   5          2HB       ASP   5  -4.537  -5.065  -2.744
   27   2HB   ASP   5          1HB       ASP   5  -3.355  -4.059  -1.913
   28    H    ASP   6           H        ASP   6  -4.194  -6.802   1.012
   29    HA   ASP   6           HA       ASP   6  -3.393  -5.287   3.230
   30   1HB   ASP   6          2HB       ASP   6  -2.703  -8.132   2.469
   31   2HB   ASP   6          1HB       ASP   6  -2.482  -7.423   4.060
   32    H    MET   7           H        MET   7  -1.958  -3.710   2.286
   33    HA   MET   7           HA       MET   7   0.799  -4.668   2.232
   34   1HB   MET   7          2HB       MET   7   1.324  -3.327   0.233
   35   2HB   MET   7          1HB       MET   7   0.167  -4.604  -0.116
   36   1HG   MET   7          2HG       MET   7  -1.655  -2.989  -0.042
   37   2HG   MET   7          1HG       MET   7  -0.503  -1.703   0.329
   38   1HE   MET   7          1HE       MET   7  -2.599  -1.540  -2.038
   39   2HE   MET   7          2HE       MET   7  -1.611  -0.912  -3.357
   40   3HE   MET   7          3HE       MET   7  -1.429  -0.256  -1.730
   41    H    GLY   8           H        GLY   8   2.271  -3.242   3.064
   42   1HA   GLY   8          2HA       GLY   8   1.819  -0.456   3.346
   43   2HA   GLY   8          1HA       GLY   8   1.422  -1.282   4.845
   44    H    PHE   9           H        PHE   9   3.999  -0.630   2.533
   45    HA   PHE   9           HA       PHE   9   5.918  -0.907   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.475  -1.888   2.834
   47   2HB   PHE   9          1HB       PHE   9   6.379  -2.923   3.745
   48    HD1  PHE   9           1HD      PHE   9   5.951  -0.709   0.753
   49    HD2  PHE   9           2HD      PHE   9   5.558  -4.575   2.467
   50    HE1  PHE   9           1HE      PHE   9   4.924  -1.527  -1.333
   51    HE2  PHE   9           2HE      PHE   9   4.531  -5.405   0.389
   52    HZ   PHE   9           HZ       PHE   9   4.214  -3.876  -1.515
   53    H    GLY  10           H        GLY  10   8.221  -0.353   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.030   2.448   3.142
   55   2HA   GLY  10          1HA       GLY  10   9.484   1.497   2.942
   56    H    LEU  11           H        LEU  11   7.953  -0.088   0.801
   57    HA   LEU  11           HA       LEU  11   9.009   1.173  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.243  -1.186  -1.334
   59   2HB   LEU  11          1HB       LEU  11   6.586  -0.616  -1.365
   60   1HD1  LEU  11          1HD2      LEU  11   7.937  -2.019  -4.650
   61   2HD1  LEU  11          2HD2      LEU  11   6.346  -2.058  -3.891
   62   3HD1  LEU  11          3HD2      LEU  11   7.769  -2.572  -2.984
   63   1HD2  LEU  11          1HD1      LEU  11   6.075  -0.007  -4.669
   64   2HD2  LEU  11          2HD1      LEU  11   7.026   1.388  -4.160
   65   3HD2  LEU  11          3HD1      LEU  11   5.808   0.709  -3.080
   66    H    PHE  12           H        PHE  12   5.950   1.650   0.160
   67    HA   PHE  12           HA       PHE  12   5.520   4.043  -1.452
   68   1HB   PHE  12          2HB       PHE  12   3.124   3.497  -1.780
   69   2HB   PHE  12          1HB       PHE  12   4.200   2.375  -2.612
   70    HD1  PHE  12           1HD      PHE  12   2.543   2.677   0.739
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.170  -2.528
   72    HE1  PHE  12           1HE      PHE  12   1.423   0.782   1.829
   73    HE2  PHE  12           2HE      PHE  12   2.498  -1.729  -1.443
   74    HZ   PHE  12           HZ       PHE  12   1.398  -1.423   0.738
   75    H    ASP  13           H        ASP  13   6.133   3.124   1.444
   76    HA   ASP  13           HA       ASP  13   4.108   3.660   3.203
   77   1HB   ASP  13          2HB       ASP  13   5.823   4.379   4.799
   78   2HB   ASP  13          1HB       ASP  13   6.359   2.961   3.900
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1  -5.296   9.281  -2.776
    2   2H    GLU   1          2HT       GLU   1  -4.695   8.675  -1.287
    3   3H    GLU   1          3HT       GLU   1  -6.374   8.599  -1.632
    4    HA   GLU   1           HA       GLU   1  -5.736   7.216  -3.600
    5   1HB   GLU   1          2HB       GLU   1  -3.224   7.034  -1.920
    6   2HB   GLU   1          1HB       GLU   1  -3.586   6.028  -3.317
    7   1HG   GLU   1          2HG       GLU   1  -3.229   9.017  -3.355
    8   2HG   GLU   1          1HG       GLU   1  -2.027   7.829  -3.854
    9    H    GLU   2           H        GLU   2  -5.688   4.818  -3.271
   10    HA   GLU   2           HA       GLU   2  -6.447   4.044  -0.544
   11   1HB   GLU   2          2HB       GLU   2  -7.961   3.300  -3.054
   12   2HB   GLU   2          1HB       GLU   2  -8.282   2.654  -1.451
   13   1HG   GLU   2          2HG       GLU   2  -9.898   4.324  -1.860
   14   2HG   GLU   2          1HG       GLU   2  -8.753   4.994  -0.701
   15    H    ALA   3           H        ALA   3  -6.638   1.560  -0.417
   16    HA   ALA   3           HA       ALA   3  -5.244  -0.079  -2.229
   17   1HB   ALA   3          1HB       ALA   3  -3.291  -0.449  -0.466
   18   2HB   ALA   3          2HB       ALA   3  -3.617   1.253  -0.138
   19   3HB   ALA   3          3HB       ALA   3  -3.172   0.738  -1.765
   20    H    ASP   4           H        ASP   4  -7.300  -1.086  -1.567
   21    HA   ASP   4           HA       ASP   4  -7.834  -2.021   1.009
   22   1HB   ASP   4          2HB       ASP   4  -9.509  -2.019  -0.783
   23   2HB   ASP   4          1HB       ASP   4  -8.602  -3.259  -1.645
   24    H    ASP   5           H        ASP   5  -5.714  -3.243  -1.470
   25    HA   ASP   5           HA       ASP   5  -5.378  -5.874  -0.580
   26   1HB   ASP   5          2HB       ASP   5  -4.537  -5.064  -2.743
   27   2HB   ASP   5          1HB       ASP   5  -3.354  -4.059  -1.913
   28    H    ASP   6           H        ASP   6  -4.193  -6.802   1.012
   29    HA   ASP   6           HA       ASP   6  -3.393  -5.288   3.230
   30   1HB   ASP   6          2HB       ASP   6  -2.702  -8.132   2.469
   31   2HB   ASP   6          1HB       ASP   6  -2.482  -7.424   4.059
   32    H    MET   7           H        MET   7  -1.958  -3.710   2.287
   33    HA   MET   7           HA       MET   7   0.800  -4.669   2.232
   34   1HB   MET   7          2HB       MET   7   1.324  -3.327   0.233
   35   2HB   MET   7          1HB       MET   7   0.166  -4.604  -0.117
   36   1HG   MET   7          2HG       MET   7  -1.655  -2.989  -0.041
   37   2HG   MET   7          1HG       MET   7  -0.503  -1.703   0.330
   38   1HE   MET   7          1HE       MET   7  -1.406  -0.243  -1.762
   39   2HE   MET   7          2HE       MET   7  -2.593  -1.526  -2.000
   40   3HE   MET   7          3HE       MET   7  -1.638  -0.943  -3.364
   41    H    GLY   8           H        GLY   8   2.271  -3.242   3.065
   42   1HA   GLY   8          2HA       GLY   8   1.818  -0.456   3.345
   43   2HA   GLY   8          1HA       GLY   8   1.422  -1.282   4.845
   44    H    PHE   9           H        PHE   9   3.998  -0.629   2.533
   45    HA   PHE   9           HA       PHE   9   5.917  -0.906   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.475  -1.888   2.835
   47   2HB   PHE   9          1HB       PHE   9   6.379  -2.922   3.746
   48    HD1  PHE   9           1HD      PHE   9   5.951  -0.709   0.754
   49    HD2  PHE   9           2HD      PHE   9   5.558  -4.576   2.468
   50    HE1  PHE   9           1HE      PHE   9   4.924  -1.528  -1.332
   51    HE2  PHE   9           2HE      PHE   9   4.531  -5.405   0.390
   52    HZ   PHE   9           HZ       PHE   9   4.215  -3.877  -1.514
   53    H    GLY  10           H        GLY  10   8.221  -0.352   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.029   2.450   3.142
   55   2HA   GLY  10          1HA       GLY  10   9.484   1.498   2.941
   56    H    LEU  11           H        LEU  11   7.953  -0.088   0.801
   57    HA   LEU  11           HA       LEU  11   9.009   1.173  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.244  -1.186  -1.333
   59   2HB   LEU  11          1HB       LEU  11   6.587  -0.617  -1.364
   60   1HD1  LEU  11          1HD2      LEU  11   7.709  -1.951  -4.757
   61   2HD1  LEU  11          2HD2      LEU  11   6.356  -2.147  -3.643
   62   3HD1  LEU  11          3HD2      LEU  11   7.991  -2.555  -3.124
   63   1HD2  LEU  11          1HD1      LEU  11   6.077  -0.008  -4.669
   64   2HD2  LEU  11          2HD1      LEU  11   7.027   1.386  -4.160
   65   3HD2  LEU  11          3HD1      LEU  11   5.809   0.708  -3.080
   66    H    PHE  12           H        PHE  12   5.950   1.650   0.160
   67    HA   PHE  12           HA       PHE  12   5.519   4.042  -1.452
   68   1HB   PHE  12          2HB       PHE  12   3.125   3.496  -1.781
   69   2HB   PHE  12          1HB       PHE  12   4.199   2.374  -2.612
   70    HD1  PHE  12           1HD      PHE  12   2.543   2.677   0.738
   71    HD2  PHE  12           2HD      PHE  12   3.623   0.169  -2.527
   72    HE1  PHE  12           1HE      PHE  12   1.423   0.783   1.827
   73    HE2  PHE  12           2HE      PHE  12   2.499  -1.729  -1.443
   74    HZ   PHE  12           HZ       PHE  12   1.399  -1.423   0.738
   75    H    ASP  13           H        ASP  13   6.132   3.123   1.443
   76    HA   ASP  13           HA       ASP  13   4.106   3.661   3.202
   77   1HB   ASP  13          2HB       ASP  13   5.823   4.379   4.799
   78   2HB   ASP  13          1HB       ASP  13   6.358   2.961   3.899
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1  -4.038   8.961  -2.123
    2   2H    GLU   1          2HT       GLU   1  -3.218   7.803  -1.158
    3   3H    GLU   1          3HT       GLU   1  -4.835   8.244  -0.786
    4    HA   GLU   1           HA       GLU   1  -5.421   7.412  -3.049
    5   1HB   GLU   1          2HB       GLU   1  -2.694   6.153  -2.672
    6   2HB   GLU   1          1HB       GLU   1  -3.838   5.737  -3.941
    7   1HG   GLU   1          2HG       GLU   1  -2.541   8.427  -3.565
    8   2HG   GLU   1          1HG       GLU   1  -2.063   7.209  -4.744
    9    H    GLU   2           H        GLU   2  -6.026   5.062  -3.238
   10    HA   GLU   2           HA       GLU   2  -6.505   4.000  -0.548
   11   1HB   GLU   2          2HB       GLU   2  -7.885   3.362  -3.163
   12   2HB   GLU   2          1HB       GLU   2  -8.298   2.664  -1.604
   13   1HG   GLU   2          2HG       GLU   2  -9.874   4.364  -2.041
   14   2HG   GLU   2          1HG       GLU   2  -8.791   4.981  -0.798
   15    H    ALA   3           H        ALA   3  -6.640   1.557  -0.427
   16    HA   ALA   3           HA       ALA   3  -5.243  -0.084  -2.234
   17   1HB   ALA   3          1HB       ALA   3  -3.292  -0.451  -0.470
   18   2HB   ALA   3          2HB       ALA   3  -3.620   1.251  -0.142
   19   3HB   ALA   3          3HB       ALA   3  -3.172   0.735  -1.769
   20    H    ASP   4           H        ASP   4  -7.300  -1.091  -1.572
   21    HA   ASP   4           HA       ASP   4  -7.835  -2.023   1.003
   22   1HB   ASP   4          2HB       ASP   4  -9.509  -2.024  -0.790
   23   2HB   ASP   4          1HB       ASP   4  -8.602  -3.265  -1.649
   24    H    ASP   5           H        ASP   5  -5.713  -3.248  -1.472
   25    HA   ASP   5           HA       ASP   5  -5.378  -5.878  -0.578
   26   1HB   ASP   5          2HB       ASP   5  -4.536  -5.071  -2.742
   27   2HB   ASP   5          1HB       ASP   5  -3.354  -4.064  -1.913
   28    H    ASP   6           H        ASP   6  -4.194  -6.803   1.015
   29    HA   ASP   6           HA       ASP   6  -3.395  -5.287   3.231
   30   1HB   ASP   6          2HB       ASP   6  -2.703  -8.131   2.474
   31   2HB   ASP   6          1HB       ASP   6  -2.483  -7.420   4.065
   32    H    MET   7           H        MET   7  -1.960  -3.710   2.287
   33    HA   MET   7           HA       MET   7   0.798  -4.667   2.234
   34   1HB   MET   7          2HB       MET   7   1.323  -3.329   0.234
   35   2HB   MET   7          1HB       MET   7   0.166  -4.605  -0.114
   36   1HG   MET   7          2HG       MET   7  -1.656  -2.990  -0.041
   37   2HG   MET   7          1HG       MET   7  -0.504  -1.704   0.329
   38   1HE   MET   7          1HE       MET   7  -2.595  -1.535  -2.015
   39   2HE   MET   7          2HE       MET   7  -1.629  -0.938  -3.365
   40   3HE   MET   7          3HE       MET   7  -1.414  -0.252  -1.754
   41    H    GLY   8           H        GLY   8   2.268  -3.240   3.066
   42   1HA   GLY   8          2HA       GLY   8   1.816  -0.454   3.344
   43   2HA   GLY   8          1HA       GLY   8   1.419  -1.278   4.844
   44    H    PHE   9           H        PHE   9   3.996  -0.628   2.533
   45    HA   PHE   9           HA       PHE   9   5.914  -0.902   4.703
   46   1HB   PHE   9          2HB       PHE   9   7.473  -1.885   2.837
   47   2HB   PHE   9          1HB       PHE   9   6.376  -2.919   3.748
   48    HD1  PHE   9           1HD      PHE   9   5.950  -0.709   0.754
   49    HD2  PHE   9           2HD      PHE   9   5.557  -4.574   2.471
   50    HE1  PHE   9           1HE      PHE   9   4.923  -1.530  -1.331
   51    HE2  PHE   9           2HE      PHE   9   4.531  -5.406   0.394
   52    HZ   PHE   9           HZ       PHE   9   4.214  -3.879  -1.512
   53    H    GLY  10           H        GLY  10   8.219  -0.349   3.450
   54   1HA   GLY  10          2HA       GLY  10   8.026   2.453   3.140
   55   2HA   GLY  10          1HA       GLY  10   9.481   1.500   2.941
   56    H    LEU  11           H        LEU  11   7.952  -0.087   0.802
   57    HA   LEU  11           HA       LEU  11   9.008   1.172  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.243  -1.188  -1.331
   59   2HB   LEU  11          1HB       LEU  11   6.586  -0.618  -1.364
   60   1HD1  LEU  11          1HD2      LEU  11   7.784  -1.976  -4.728
   61   2HD1  LEU  11          2HD2      LEU  11   6.346  -2.122  -3.717
   62   3HD1  LEU  11          3HD2      LEU  11   7.926  -2.566  -3.072
   63   1HD2  LEU  11          1HD1      LEU  11   6.077  -0.014  -4.669
   64   2HD2  LEU  11          2HD1      LEU  11   7.027   1.382  -4.162
   65   3HD2  LEU  11          3HD1      LEU  11   5.809   0.705  -3.081
   66    H    PHE  12           H        PHE  12   5.948   1.650   0.159
   67    HA   PHE  12           HA       PHE  12   5.518   4.040  -1.457
   68   1HB   PHE  12          2HB       PHE  12   3.124   3.493  -1.785
   69   2HB   PHE  12          1HB       PHE  12   4.199   2.371  -2.616
   70    HD1  PHE  12           1HD      PHE  12   2.540   2.676   0.733
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.166  -2.530
   72    HE1  PHE  12           1HE      PHE  12   1.421   0.783   1.824
   73    HE2  PHE  12           2HE      PHE  12   2.499  -1.731  -1.442
   74    HZ   PHE  12           HZ       PHE  12   1.398  -1.423   0.737
   75    H    ASP  13           H        ASP  13   6.130   3.125   1.440
   76    HA   ASP  13           HA       ASP  13   4.104   3.663   3.196
   77   1HB   ASP  13          2HB       ASP  13   5.819   4.384   4.794
   78   2HB   ASP  13          1HB       ASP  13   6.355   2.964   3.896
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1  -4.951   9.243  -2.724
    2   2H    GLU   1          2HT       GLU   1  -4.115   8.352  -1.518
    3   3H    GLU   1          3HT       GLU   1  -5.803   8.629  -1.369
    4    HA   GLU   1           HA       GLU   1  -6.024   7.415  -3.529
    5   1HB   GLU   1          2HB       GLU   1  -3.249   6.566  -2.668
    6   2HB   GLU   1          1HB       GLU   1  -4.178   5.830  -3.966
    7   1HG   GLU   1          2HG       GLU   1  -3.223   8.683  -3.894
    8   2HG   GLU   1          1HG       GLU   1  -2.479   7.370  -4.804
    9    H    GLU   2           H        GLU   2  -5.758   4.786  -3.317
   10    HA   GLU   2           HA       GLU   2  -6.409   4.072  -0.544
   11   1HB   GLU   2          2HB       GLU   2  -8.009   3.258  -2.978
   12   2HB   GLU   2          1HB       GLU   2  -8.266   2.650  -1.349
   13   1HG   GLU   2          2HG       GLU   2  -9.907   4.299  -1.738
   14   2HG   GLU   2          1HG       GLU   2  -8.726   5.005  -0.638
   15    H    ALA   3           H        ALA   3  -6.636   1.563  -0.412
   16    HA   ALA   3           HA       ALA   3  -5.244  -0.075  -2.225
   17   1HB   ALA   3          1HB       ALA   3  -3.291  -0.447  -0.463
   18   2HB   ALA   3          2HB       ALA   3  -3.615   1.254  -0.133
   19   3HB   ALA   3          3HB       ALA   3  -3.172   0.741  -1.762
   20    H    ASP   4           H        ASP   4  -7.299  -1.082  -1.563
   21    HA   ASP   4           HA       ASP   4  -7.833  -2.019   1.012
   22   1HB   ASP   4          2HB       ASP   4  -9.508  -2.016  -0.779
   23   2HB   ASP   4          1HB       ASP   4  -8.603  -3.255  -1.641
   24    H    ASP   5           H        ASP   5  -5.713  -3.240  -1.469
   25    HA   ASP   5           HA       ASP   5  -5.379  -5.872  -0.580
   26   1HB   ASP   5          2HB       ASP   5  -4.538  -5.060  -2.744
   27   2HB   ASP   5          1HB       ASP   5  -3.355  -4.056  -1.913
   28    H    ASP   6           H        ASP   6  -4.193  -6.801   1.010
   29    HA   ASP   6           HA       ASP   6  -3.392  -5.290   3.229
   30   1HB   ASP   6          2HB       ASP   6  -2.702  -8.132   2.465
   31   2HB   ASP   6          1HB       ASP   6  -2.481  -7.425   4.056
   32    H    MET   7           H        MET   7  -1.958  -3.711   2.286
   33    HA   MET   7           HA       MET   7   0.801  -4.669   2.230
   34   1HB   MET   7          2HB       MET   7   1.324  -3.327   0.232
   35   2HB   MET   7          1HB       MET   7   0.166  -4.604  -0.118
   36   1HG   MET   7          2HG       MET   7  -1.654  -2.987  -0.041
   37   2HG   MET   7          1HG       MET   7  -0.502  -1.703   0.330
   38   1HE   MET   7          1HE       MET   7  -1.621  -0.920  -3.359
   39   2HE   MET   7          2HE       MET   7  -1.420  -0.251  -1.739
   40   3HE   MET   7          3HE       MET   7  -2.597  -1.533  -2.023
   41    H    GLY   8           H        GLY   8   2.272  -3.244   3.063
   42   1HA   GLY   8          2HA       GLY   8   1.819  -0.458   3.346
   43   2HA   GLY   8          1HA       GLY   8   1.424  -1.284   4.845
   44    H    PHE   9           H        PHE   9   4.000  -0.631   2.534
   45    HA   PHE   9           HA       PHE   9   5.919  -0.910   4.702
   46   1HB   PHE   9          2HB       PHE   9   7.476  -1.890   2.833
   47   2HB   PHE   9          1HB       PHE   9   6.380  -2.925   3.743
   48    HD1  PHE   9           1HD      PHE   9   5.952  -0.709   0.753
   49    HD2  PHE   9           2HD      PHE   9   5.559  -4.577   2.465
   50    HE1  PHE   9           1HE      PHE   9   4.925  -1.527  -1.332
   51    HE2  PHE   9           2HE      PHE   9   4.532  -5.406   0.386
   52    HZ   PHE   9           HZ       PHE   9   4.215  -3.876  -1.517
   53    H    GLY  10           H        GLY  10   8.222  -0.355   3.449
   54   1HA   GLY  10          2HA       GLY  10   8.031   2.448   3.143
   55   2HA   GLY  10          1HA       GLY  10   9.485   1.495   2.942
   56    H    LEU  11           H        LEU  11   7.955  -0.088   0.800
   57    HA   LEU  11           HA       LEU  11   9.010   1.174  -1.425
   58   1HB   LEU  11          2HB       LEU  11   8.244  -1.185  -1.334
   59   2HB   LEU  11          1HB       LEU  11   6.587  -0.616  -1.365
   60   1HD1  LEU  11          1HD2      LEU  11   7.967  -2.028  -4.633
   61   2HD1  LEU  11          2HD2      LEU  11   6.351  -2.045  -3.926
   62   3HD1  LEU  11          3HD2      LEU  11   7.736  -2.571  -2.970
   63   1HD2  LEU  11          1HD1      LEU  11   6.077  -0.005  -4.669
   64   2HD2  LEU  11          2HD1      LEU  11   7.027   1.389  -4.159
   65   3HD2  LEU  11          3HD1      LEU  11   5.809   0.711  -3.079
   66    H    PHE  12           H        PHE  12   5.952   1.651   0.162
   67    HA   PHE  12           HA       PHE  12   5.520   4.043  -1.449
   68   1HB   PHE  12          2HB       PHE  12   3.125   3.497  -1.777
   69   2HB   PHE  12          1HB       PHE  12   4.200   2.376  -2.609
   70    HD1  PHE  12           1HD      PHE  12   2.544   2.677   0.741
   71    HD2  PHE  12           2HD      PHE  12   3.622   0.172  -2.527
   72    HE1  PHE  12           1HE      PHE  12   1.425   0.781   1.830
   73    HE2  PHE  12           2HE      PHE  12   2.499  -1.728  -1.443
   74    HZ   PHE  12           HZ       PHE  12   1.399  -1.423   0.737
   75    H    ASP  13           H        ASP  13   6.134   3.122   1.446
   76    HA   ASP  13           HA       ASP  13   4.109   3.658   3.205
   77   1HB   ASP  13          2HB       ASP  13   5.825   4.376   4.802
   78   2HB   ASP  13          1HB       ASP  13   6.360   2.958   3.902